USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 994 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 129 GLN :FLIP amide:sc= -0.289 F(o=-1.4,f=-0.25) USER MOD Set 1.2: A 134 SER OG : rot 63:sc= 0.0367 USER MOD Set 2.1: A 39 ASN : amide:sc= -2.57! C(o=-3.5!,f=-8.1!) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.919 X(o=-3.5,f=-3.1) USER MOD Single : A 1 MET CE :methyl -131:sc= -0.0871 (180deg=-0.514) USER MOD Single : A 1 MET N :NH3+ -108:sc= 1.47 (180deg=0.49) USER MOD Single : A 4 ASN : amide:sc= -3.06! C(o=-3.1!,f=-6.8!) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.0156 (180deg=-0.196) USER MOD Single : A 7 CYS SG : rot -26:sc= 1.11 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.351 F(o=-1.6,f=-0.35) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 4:sc= 1.02 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 37 CYS SG : rot -4:sc= -2.37 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0233 F(o=-1.5,f=-0.023) USER MOD Single : A 47 MET CE :methyl -145:sc= 0 (180deg=-0.147) USER MOD Single : A 53 GLN :FLIP amide:sc= -3.45! C(o=-4.4!,f=-3.4!) USER MOD Single : A 54 TYR OH : rot -30:sc= -0.356 USER MOD Single : A 60 ASN : amide:sc= -2.48 X(o=-2.5,f=-2.4) USER MOD Single : A 61 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.9!) USER MOD Single : A 69 LYS NZ :NH3+ -151:sc= 0.914! (180deg=0.541) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -19:sc= 1.25 USER MOD Single : A 79 GLN : amide:sc= -5.81! C(o=-5.8!,f=-6.4!) USER MOD Single : A 81 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.42) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN :FLIP amide:sc= 0.0287 F(o=-0.96,f=0.029) USER MOD Single : A 88 TYR OH : rot 30:sc= -0.977 USER MOD Single : A 91 THR OG1 : rot 63:sc= 1.09 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -126:sc= -0.304 (180deg=-0.48) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 122 LYS NZ :NH3+ 162:sc=0.000575 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.796 10.874 -14.107 1.00 0.00 N ATOM 2 CA MET A 1 -3.750 11.693 -13.488 1.00 0.00 C ATOM 3 C MET A 1 -4.343 12.566 -12.387 1.00 0.00 C ATOM 4 O MET A 1 -4.862 13.652 -12.638 1.00 0.00 O ATOM 5 CB MET A 1 -2.933 12.531 -14.520 1.00 0.00 C ATOM 6 CG MET A 1 -3.741 13.444 -15.449 1.00 0.00 C ATOM 7 SD MET A 1 -4.713 12.549 -16.683 1.00 0.00 S ATOM 8 CE MET A 1 -3.414 11.827 -17.693 1.00 0.00 C ATOM 0 H1 MET A 1 -4.677 9.882 -13.817 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.730 11.215 -13.802 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.724 10.943 -15.142 1.00 0.00 H new ATOM 0 HA MET A 1 -3.031 11.009 -13.038 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.220 13.146 -13.972 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.354 11.843 -15.136 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.411 14.058 -14.847 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.059 14.123 -15.960 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.620 12.023 -18.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.455 12.269 -17.422 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.378 10.751 -17.525 1.00 0.00 H new ATOM 20 N GLY A 2 -4.307 12.068 -11.180 1.00 0.00 N ATOM 21 CA GLY A 2 -4.887 12.758 -10.051 1.00 0.00 C ATOM 22 C GLY A 2 -5.695 11.774 -9.257 1.00 0.00 C ATOM 23 O GLY A 2 -5.670 11.766 -8.024 1.00 0.00 O ATOM 0 H GLY A 2 -3.876 11.173 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.104 13.194 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.518 13.579 -10.392 1.00 0.00 H new ATOM 27 N GLU A 3 -6.421 10.945 -9.999 1.00 0.00 N ATOM 28 CA GLU A 3 -7.158 9.800 -9.498 1.00 0.00 C ATOM 29 C GLU A 3 -8.237 10.168 -8.473 1.00 0.00 C ATOM 30 O GLU A 3 -8.634 11.331 -8.334 1.00 0.00 O ATOM 31 CB GLU A 3 -6.187 8.710 -8.950 1.00 0.00 C ATOM 32 CG GLU A 3 -5.334 7.993 -10.018 1.00 0.00 C ATOM 33 CD GLU A 3 -4.446 8.918 -10.812 1.00 0.00 C ATOM 34 OE1 GLU A 3 -3.459 9.436 -10.256 1.00 0.00 O ATOM 35 OE2 GLU A 3 -4.761 9.199 -11.988 1.00 0.00 O ATOM 0 H GLU A 3 -6.513 11.061 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.697 9.384 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.518 9.173 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.771 7.963 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.714 7.241 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.996 7.464 -10.703 1.00 0.00 H new ATOM 42 N ASN A 4 -8.733 9.160 -7.804 1.00 0.00 N ATOM 43 CA ASN A 4 -9.766 9.269 -6.789 1.00 0.00 C ATOM 44 C ASN A 4 -9.292 8.483 -5.619 1.00 0.00 C ATOM 45 O ASN A 4 -10.051 7.774 -4.981 1.00 0.00 O ATOM 46 CB ASN A 4 -11.128 8.700 -7.270 1.00 0.00 C ATOM 47 CG ASN A 4 -12.006 9.659 -8.080 1.00 0.00 C ATOM 48 OD1 ASN A 4 -13.230 9.577 -8.023 1.00 0.00 O ATOM 49 ND2 ASN A 4 -11.419 10.561 -8.816 1.00 0.00 N ATOM 0 H ASN A 4 -8.421 8.200 -7.952 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.931 10.319 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.936 7.815 -7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.692 8.372 -6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.978 11.218 -9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.401 10.610 -8.847 1.00 0.00 H new ATOM 56 N LYS A 5 -7.992 8.584 -5.381 1.00 0.00 N ATOM 57 CA LYS A 5 -7.333 7.901 -4.277 1.00 0.00 C ATOM 58 C LYS A 5 -7.946 8.289 -2.912 1.00 0.00 C ATOM 59 O LYS A 5 -7.599 9.298 -2.301 1.00 0.00 O ATOM 60 CB LYS A 5 -5.796 8.117 -4.313 1.00 0.00 C ATOM 61 CG LYS A 5 -5.318 9.575 -4.245 1.00 0.00 C ATOM 62 CD LYS A 5 -3.794 9.658 -4.231 1.00 0.00 C ATOM 63 CE LYS A 5 -3.291 11.081 -3.978 1.00 0.00 C ATOM 64 NZ LYS A 5 -3.670 11.576 -2.629 1.00 0.00 N ATOM 0 H LYS A 5 -7.361 9.146 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.508 6.833 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.353 7.571 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.408 7.671 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.707 10.128 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.719 10.050 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.404 8.995 -3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.404 9.302 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.206 11.105 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.698 11.749 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.109 12.421 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.681 11.819 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.486 10.835 -1.923 1.00 0.00 H new ATOM 78 N VAL A 6 -8.903 7.519 -2.493 1.00 0.00 N ATOM 79 CA VAL A 6 -9.590 7.761 -1.257 1.00 0.00 C ATOM 80 C VAL A 6 -8.958 7.046 -0.092 1.00 0.00 C ATOM 81 O VAL A 6 -8.560 5.898 -0.196 1.00 0.00 O ATOM 82 CB VAL A 6 -11.097 7.400 -1.332 1.00 0.00 C ATOM 83 CG1 VAL A 6 -11.839 8.362 -2.242 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.308 5.960 -1.806 1.00 0.00 C ATOM 0 H VAL A 6 -9.233 6.699 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.501 8.834 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.501 7.487 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.893 8.088 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.741 9.377 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.417 8.313 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.375 5.743 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.875 5.837 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.824 5.274 -1.111 1.00 0.00 H new ATOM 94 N CYS A 7 -8.877 7.746 0.995 1.00 0.00 N ATOM 95 CA CYS A 7 -8.408 7.238 2.257 1.00 0.00 C ATOM 96 C CYS A 7 -9.633 6.727 2.991 1.00 0.00 C ATOM 97 O CYS A 7 -10.731 6.971 2.498 1.00 0.00 O ATOM 98 CB CYS A 7 -7.692 8.345 3.013 1.00 0.00 C ATOM 99 SG CYS A 7 -6.237 8.961 2.133 1.00 0.00 S ATOM 0 H CYS A 7 -9.146 8.729 1.035 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.687 6.428 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.384 9.169 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.390 7.974 3.992 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.769 8.026 1.360 1.00 0.00 H new ATOM 105 N GLY A 8 -9.445 6.006 4.126 1.00 0.00 N ATOM 106 CA GLY A 8 -10.518 5.270 4.810 1.00 0.00 C ATOM 107 C GLY A 8 -11.894 5.867 4.697 1.00 0.00 C ATOM 108 O GLY A 8 -12.194 6.880 5.301 1.00 0.00 O ATOM 0 H GLY A 8 -8.539 5.924 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.548 4.256 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.262 5.190 5.867 1.00 0.00 H new ATOM 112 N LEU A 9 -12.707 5.231 3.904 1.00 0.00 N ATOM 113 CA LEU A 9 -14.036 5.668 3.647 1.00 0.00 C ATOM 114 C LEU A 9 -14.956 4.563 4.092 1.00 0.00 C ATOM 115 O LEU A 9 -14.623 3.387 3.951 1.00 0.00 O ATOM 116 CB LEU A 9 -14.183 5.980 2.155 1.00 0.00 C ATOM 117 CG LEU A 9 -15.497 6.601 1.689 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.789 7.887 2.454 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.407 6.891 0.207 1.00 0.00 C ATOM 0 H LEU A 9 -12.452 4.376 3.410 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.283 6.580 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.374 6.653 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.035 5.053 1.602 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.310 5.900 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.730 8.312 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.862 7.668 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.983 8.602 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.342 7.335 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.587 7.584 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.227 5.963 -0.335 1.00 0.00 H new ATOM 131 N THR A 10 -16.086 4.915 4.626 1.00 0.00 N ATOM 132 CA THR A 10 -16.941 3.951 5.271 1.00 0.00 C ATOM 133 C THR A 10 -18.221 3.790 4.510 1.00 0.00 C ATOM 134 O THR A 10 -18.940 2.790 4.629 1.00 0.00 O ATOM 135 CB THR A 10 -17.250 4.488 6.659 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.714 5.846 6.514 1.00 0.00 O ATOM 137 CG2 THR A 10 -15.999 4.495 7.498 1.00 0.00 C ATOM 0 H THR A 10 -16.444 5.870 4.630 1.00 0.00 H new ATOM 0 HA THR A 10 -16.448 2.980 5.316 1.00 0.00 H new ATOM 0 HB THR A 10 -18.001 3.862 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.923 6.216 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.229 4.881 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.613 3.479 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.248 5.130 7.027 1.00 0.00 H new ATOM 145 N ARG A 11 -18.490 4.763 3.718 1.00 0.00 N ATOM 146 CA ARG A 11 -19.693 4.798 2.964 1.00 0.00 C ATOM 147 C ARG A 11 -19.474 4.181 1.605 1.00 0.00 C ATOM 148 O ARG A 11 -18.677 4.683 0.815 1.00 0.00 O ATOM 149 CB ARG A 11 -20.171 6.224 2.787 1.00 0.00 C ATOM 150 CG ARG A 11 -20.421 6.992 4.058 1.00 0.00 C ATOM 151 CD ARG A 11 -20.824 8.413 3.726 1.00 0.00 C ATOM 152 NE ARG A 11 -21.016 9.230 4.915 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.363 10.524 4.908 1.00 0.00 C ATOM 154 NH1 ARG A 11 -21.541 11.171 3.745 1.00 0.00 N ATOM 155 NH2 ARG A 11 -21.523 11.168 6.059 1.00 0.00 N ATOM 0 H ARG A 11 -17.877 5.565 3.572 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.449 4.231 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.431 6.765 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.093 6.209 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.206 6.507 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.523 6.994 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.058 8.867 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.746 8.399 3.146 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.876 8.784 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.412 10.677 2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.805 12.156 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.382 10.677 6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.787 12.153 6.060 1.00 0.00 H new ATOM 169 N GLY A 12 -20.170 3.111 1.335 1.00 0.00 N ATOM 170 CA GLY A 12 -20.097 2.460 0.060 1.00 0.00 C ATOM 171 C GLY A 12 -20.626 3.335 -1.062 1.00 0.00 C ATOM 172 O GLY A 12 -20.112 3.296 -2.168 1.00 0.00 O ATOM 0 H GLY A 12 -20.806 2.666 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.062 2.190 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.668 1.532 0.095 1.00 0.00 H new ATOM 176 N GLN A 13 -21.601 4.212 -0.746 1.00 0.00 N ATOM 177 CA GLN A 13 -22.253 5.040 -1.794 1.00 0.00 C ATOM 178 C GLN A 13 -21.294 6.094 -2.216 1.00 0.00 C ATOM 179 O GLN A 13 -21.309 6.594 -3.332 1.00 0.00 O ATOM 180 CB GLN A 13 -23.537 5.749 -1.296 1.00 0.00 C ATOM 181 CG GLN A 13 -24.483 4.923 -0.437 1.00 0.00 C ATOM 182 CD GLN A 13 -24.695 3.524 -0.935 1.00 0.00 C ATOM 183 OE1 GLN A 13 -23.876 2.652 -0.452 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 -25.591 3.240 -1.733 1.00 0.00 N flip ATOM 0 H GLN A 13 -21.951 4.367 0.200 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.533 4.371 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.240 6.629 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -24.089 6.104 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -24.091 4.880 0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -25.447 5.429 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -26.212 3.970 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -25.712 2.276 -2.042 1.00 0.00 H new ATOM 193 N ASP A 14 -20.422 6.351 -1.323 1.00 0.00 N ATOM 194 CA ASP A 14 -19.466 7.394 -1.415 1.00 0.00 C ATOM 195 C ASP A 14 -18.251 6.835 -2.120 1.00 0.00 C ATOM 196 O ASP A 14 -17.655 7.470 -2.983 1.00 0.00 O ATOM 197 CB ASP A 14 -19.133 7.780 0.001 1.00 0.00 C ATOM 198 CG ASP A 14 -18.589 9.193 0.147 1.00 0.00 C ATOM 199 OD1 ASP A 14 -17.560 9.534 -0.448 1.00 0.00 O ATOM 200 OD2 ASP A 14 -19.216 9.995 0.875 1.00 0.00 O ATOM 0 H ASP A 14 -20.347 5.814 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.825 8.263 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.029 7.682 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.399 7.077 0.395 1.00 0.00 H new ATOM 205 N ALA A 15 -17.929 5.599 -1.769 1.00 0.00 N ATOM 206 CA ALA A 15 -16.841 4.851 -2.373 1.00 0.00 C ATOM 207 C ALA A 15 -17.108 4.635 -3.858 1.00 0.00 C ATOM 208 O ALA A 15 -16.182 4.647 -4.680 1.00 0.00 O ATOM 209 CB ALA A 15 -16.677 3.517 -1.654 1.00 0.00 C ATOM 0 H ALA A 15 -18.426 5.081 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.916 5.419 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.860 2.957 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.453 3.696 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.600 2.943 -1.736 1.00 0.00 H new ATOM 215 N LYS A 16 -18.383 4.479 -4.206 1.00 0.00 N ATOM 216 CA LYS A 16 -18.780 4.299 -5.587 1.00 0.00 C ATOM 217 C LYS A 16 -18.401 5.487 -6.445 1.00 0.00 C ATOM 218 O LYS A 16 -18.143 5.326 -7.604 1.00 0.00 O ATOM 219 CB LYS A 16 -20.269 4.013 -5.742 1.00 0.00 C ATOM 220 CG LYS A 16 -20.736 2.695 -5.151 1.00 0.00 C ATOM 221 CD LYS A 16 -22.172 2.389 -5.572 1.00 0.00 C ATOM 222 CE LYS A 16 -23.159 3.371 -4.979 1.00 0.00 C ATOM 223 NZ LYS A 16 -24.519 3.209 -5.528 1.00 0.00 N ATOM 0 H LYS A 16 -19.157 4.475 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.231 3.423 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.829 4.822 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.517 4.026 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.077 1.891 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.672 2.736 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.244 2.415 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.434 1.378 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -23.190 3.241 -3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.813 4.387 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -25.156 3.905 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -24.498 3.359 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -24.863 2.249 -5.325 1.00 0.00 H new ATOM 237 N ALA A 17 -18.324 6.669 -5.855 1.00 0.00 N ATOM 238 CA ALA A 17 -17.963 7.864 -6.607 1.00 0.00 C ATOM 239 C ALA A 17 -16.479 7.839 -6.993 1.00 0.00 C ATOM 240 O ALA A 17 -16.084 8.407 -8.012 1.00 0.00 O ATOM 241 CB ALA A 17 -18.308 9.123 -5.827 1.00 0.00 C ATOM 0 H ALA A 17 -18.505 6.828 -4.864 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.547 7.874 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.029 10.000 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.379 9.146 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.764 9.127 -4.883 1.00 0.00 H new ATOM 247 N ALA A 18 -15.676 7.156 -6.192 1.00 0.00 N ATOM 248 CA ALA A 18 -14.261 7.002 -6.468 1.00 0.00 C ATOM 249 C ALA A 18 -14.073 5.922 -7.526 1.00 0.00 C ATOM 250 O ALA A 18 -13.253 6.039 -8.442 1.00 0.00 O ATOM 251 CB ALA A 18 -13.526 6.642 -5.193 1.00 0.00 C ATOM 0 H ALA A 18 -15.987 6.696 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.851 7.939 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.463 6.527 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.665 7.434 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.920 5.706 -4.798 1.00 0.00 H new ATOM 257 N TYR A 19 -14.859 4.873 -7.400 1.00 0.00 N ATOM 258 CA TYR A 19 -14.877 3.791 -8.367 1.00 0.00 C ATOM 259 C TYR A 19 -15.448 4.280 -9.692 1.00 0.00 C ATOM 260 O TYR A 19 -15.060 3.813 -10.753 1.00 0.00 O ATOM 261 CB TYR A 19 -15.668 2.600 -7.794 1.00 0.00 C ATOM 262 CG TYR A 19 -16.530 1.852 -8.783 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.991 0.874 -9.597 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.882 2.152 -8.916 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.770 0.208 -10.520 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.667 1.497 -9.835 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.107 0.527 -10.636 1.00 0.00 C ATOM 268 OH TYR A 19 -18.882 -0.125 -11.555 1.00 0.00 O ATOM 0 H TYR A 19 -15.506 4.745 -6.622 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.860 3.451 -8.563 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.962 1.898 -7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.304 2.964 -6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.943 0.627 -9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.322 2.912 -8.287 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.337 -0.557 -11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.715 1.741 -9.928 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.800 0.215 -11.509 1.00 0.00 H new ATOM 278 N ASP A 20 -16.338 5.231 -9.601 1.00 0.00 N ATOM 279 CA ASP A 20 -16.998 5.882 -10.746 1.00 0.00 C ATOM 280 C ASP A 20 -15.983 6.443 -11.745 1.00 0.00 C ATOM 281 O ASP A 20 -16.267 6.557 -12.933 1.00 0.00 O ATOM 282 CB ASP A 20 -17.905 6.998 -10.231 1.00 0.00 C ATOM 283 CG ASP A 20 -18.640 7.736 -11.307 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.748 7.297 -11.693 1.00 0.00 O ATOM 285 OD2 ASP A 20 -18.142 8.786 -11.768 1.00 0.00 O ATOM 0 H ASP A 20 -16.648 5.601 -8.703 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.589 5.133 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.630 6.571 -9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.303 7.708 -9.665 1.00 0.00 H new ATOM 290 N ALA A 21 -14.784 6.743 -11.258 1.00 0.00 N ATOM 291 CA ALA A 21 -13.691 7.235 -12.092 1.00 0.00 C ATOM 292 C ALA A 21 -13.193 6.151 -13.069 1.00 0.00 C ATOM 293 O ALA A 21 -12.432 6.438 -14.002 1.00 0.00 O ATOM 294 CB ALA A 21 -12.548 7.712 -11.219 1.00 0.00 C ATOM 0 H ALA A 21 -14.541 6.652 -10.272 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.069 8.069 -12.683 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.737 8.077 -11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.896 8.517 -10.572 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.188 6.885 -10.607 1.00 0.00 H new ATOM 300 N GLY A 22 -13.591 4.916 -12.827 1.00 0.00 N ATOM 301 CA GLY A 22 -13.228 3.835 -13.711 1.00 0.00 C ATOM 302 C GLY A 22 -12.531 2.725 -12.986 1.00 0.00 C ATOM 303 O GLY A 22 -11.644 2.073 -13.545 1.00 0.00 O ATOM 0 H GLY A 22 -14.163 4.642 -12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.124 3.446 -14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.580 4.215 -14.501 1.00 0.00 H new ATOM 307 N ALA A 23 -12.914 2.539 -11.708 1.00 0.00 N ATOM 308 CA ALA A 23 -12.372 1.491 -10.833 1.00 0.00 C ATOM 309 C ALA A 23 -10.856 1.563 -10.792 1.00 0.00 C ATOM 310 O ALA A 23 -10.184 0.537 -10.694 1.00 0.00 O ATOM 311 CB ALA A 23 -12.834 0.116 -11.324 1.00 0.00 C ATOM 0 H ALA A 23 -13.617 3.121 -11.253 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.745 1.647 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.429 -0.658 -10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.923 0.071 -11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.479 -0.045 -12.342 1.00 0.00 H new ATOM 317 N ILE A 24 -10.329 2.791 -10.821 1.00 0.00 N ATOM 318 CA ILE A 24 -8.897 2.995 -10.941 1.00 0.00 C ATOM 319 C ILE A 24 -8.153 2.426 -9.760 1.00 0.00 C ATOM 320 O ILE A 24 -7.487 1.402 -9.896 1.00 0.00 O ATOM 321 CB ILE A 24 -8.536 4.505 -11.099 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.309 5.127 -12.272 1.00 0.00 C ATOM 323 CG2 ILE A 24 -7.028 4.670 -11.312 1.00 0.00 C ATOM 324 CD1 ILE A 24 -9.040 6.610 -12.474 1.00 0.00 C ATOM 0 H ILE A 24 -10.876 3.650 -10.763 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.589 2.465 -11.842 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.821 5.024 -10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.051 4.594 -13.187 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.377 4.981 -12.108 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.790 5.728 -11.421 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.493 4.264 -10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.727 4.136 -12.213 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.623 6.973 -13.320 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.325 7.157 -11.575 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.979 6.764 -12.671 1.00 0.00 H new ATOM 336 N TYR A 25 -8.312 3.057 -8.611 1.00 0.00 N ATOM 337 CA TYR A 25 -7.645 2.655 -7.390 1.00 0.00 C ATOM 338 C TYR A 25 -8.043 3.586 -6.236 1.00 0.00 C ATOM 339 O TYR A 25 -8.539 4.695 -6.481 1.00 0.00 O ATOM 340 CB TYR A 25 -6.111 2.537 -7.606 1.00 0.00 C ATOM 341 CG TYR A 25 -5.285 3.589 -7.022 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.129 4.812 -7.630 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.652 3.347 -5.849 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.349 5.772 -7.061 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.883 4.280 -5.266 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.722 5.507 -5.865 1.00 0.00 C ATOM 347 OH TYR A 25 -2.927 6.467 -5.280 1.00 0.00 O ATOM 0 H TYR A 25 -8.915 3.872 -8.500 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.976 1.656 -7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.782 1.581 -7.199 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.919 2.510 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.629 5.013 -8.566 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.768 2.384 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.224 6.730 -7.543 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.392 4.067 -4.328 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.560 6.120 -4.440 1.00 0.00 H new ATOM 357 N GLY A 26 -7.832 3.141 -5.019 1.00 0.00 N ATOM 358 CA GLY A 26 -8.102 3.927 -3.839 1.00 0.00 C ATOM 359 C GLY A 26 -6.842 4.021 -3.011 1.00 0.00 C ATOM 360 O GLY A 26 -6.039 3.087 -3.019 1.00 0.00 O ATOM 0 H GLY A 26 -7.463 2.211 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.443 4.923 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.902 3.469 -3.257 1.00 0.00 H new ATOM 364 N GLY A 27 -6.676 5.096 -2.274 1.00 0.00 N ATOM 365 CA GLY A 27 -5.423 5.326 -1.582 1.00 0.00 C ATOM 366 C GLY A 27 -5.608 5.345 -0.100 1.00 0.00 C ATOM 367 O GLY A 27 -5.611 6.417 0.532 1.00 0.00 O ATOM 0 H GLY A 27 -7.383 5.819 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.710 4.546 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.996 6.274 -1.908 1.00 0.00 H new ATOM 371 N LEU A 28 -5.778 4.186 0.457 1.00 0.00 N ATOM 372 CA LEU A 28 -6.006 4.042 1.841 1.00 0.00 C ATOM 373 C LEU A 28 -4.918 3.229 2.474 1.00 0.00 C ATOM 374 O LEU A 28 -4.253 2.435 1.816 1.00 0.00 O ATOM 375 CB LEU A 28 -7.453 3.518 2.200 1.00 0.00 C ATOM 376 CG LEU A 28 -8.046 2.231 1.511 1.00 0.00 C ATOM 377 CD1 LEU A 28 -8.295 2.426 0.022 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.198 0.988 1.757 1.00 0.00 C ATOM 0 H LEU A 28 -5.760 3.305 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.970 5.043 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.470 3.341 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.147 4.335 2.000 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.012 2.068 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.703 1.509 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.004 3.241 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.356 2.669 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.654 0.132 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.195 1.147 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.137 0.795 2.828 1.00 0.00 H new ATOM 390 N ILE A 29 -4.711 3.467 3.717 1.00 0.00 N ATOM 391 CA ILE A 29 -3.709 2.749 4.466 1.00 0.00 C ATOM 392 C ILE A 29 -4.258 1.938 5.572 1.00 0.00 C ATOM 393 O ILE A 29 -5.326 2.236 6.104 1.00 0.00 O ATOM 394 CB ILE A 29 -2.556 3.611 4.954 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.020 5.025 5.346 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.488 3.615 3.919 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.923 5.917 5.890 1.00 0.00 C ATOM 0 H ILE A 29 -5.224 4.163 4.258 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.297 2.059 3.730 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.145 3.185 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.461 5.504 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.808 4.941 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.655 4.231 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.141 2.596 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.884 4.022 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.338 6.893 6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.496 5.464 6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.144 6.036 5.137 1.00 0.00 H new ATOM 409 N PHE A 30 -3.492 0.948 5.959 1.00 0.00 N ATOM 410 CA PHE A 30 -3.938 -0.030 6.937 1.00 0.00 C ATOM 411 C PHE A 30 -3.813 0.494 8.357 1.00 0.00 C ATOM 412 O PHE A 30 -2.850 0.163 9.053 1.00 0.00 O ATOM 413 CB PHE A 30 -3.137 -1.347 6.860 1.00 0.00 C ATOM 414 CG PHE A 30 -3.027 -1.991 5.516 1.00 0.00 C ATOM 415 CD1 PHE A 30 -3.998 -2.866 5.048 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.926 -1.742 4.728 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.857 -3.474 3.813 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.782 -2.339 3.507 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.745 -3.204 3.045 1.00 0.00 C ATOM 0 H PHE A 30 -2.546 0.792 5.611 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.983 -0.220 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.129 -1.154 7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.594 -2.063 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.869 -3.073 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.163 -1.064 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.613 -4.156 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.910 -2.131 2.904 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.630 -3.673 2.079 1.00 0.00 H new ATOM 429 N VAL A 31 -4.711 1.340 8.777 1.00 0.00 N ATOM 430 CA VAL A 31 -4.715 1.713 10.163 1.00 0.00 C ATOM 431 C VAL A 31 -5.923 1.096 10.790 1.00 0.00 C ATOM 432 O VAL A 31 -7.054 1.383 10.385 1.00 0.00 O ATOM 433 CB VAL A 31 -4.671 3.234 10.428 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.658 3.500 11.934 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.449 3.861 9.772 1.00 0.00 C ATOM 0 H VAL A 31 -5.431 1.774 8.199 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.792 1.342 10.608 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.562 3.688 9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.627 4.575 12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.558 3.083 12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.779 3.032 12.378 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.438 4.933 9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.545 3.407 10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.487 3.693 8.696 1.00 0.00 H new ATOM 445 N ALA A 32 -5.678 0.238 11.755 1.00 0.00 N ATOM 446 CA ALA A 32 -6.701 -0.568 12.375 1.00 0.00 C ATOM 447 C ALA A 32 -7.829 0.270 12.945 1.00 0.00 C ATOM 448 O ALA A 32 -7.632 1.063 13.873 1.00 0.00 O ATOM 449 CB ALA A 32 -6.101 -1.482 13.432 1.00 0.00 C ATOM 0 H ALA A 32 -4.745 0.079 12.136 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.139 -1.190 11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.891 -2.080 13.886 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.367 -2.141 12.969 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.615 -0.880 14.200 1.00 0.00 H new ATOM 455 N THR A 33 -8.980 0.130 12.316 1.00 0.00 N ATOM 456 CA THR A 33 -10.253 0.739 12.699 1.00 0.00 C ATOM 457 C THR A 33 -10.231 2.277 12.622 1.00 0.00 C ATOM 458 O THR A 33 -11.013 2.962 13.293 1.00 0.00 O ATOM 459 CB THR A 33 -10.780 0.219 14.089 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.861 0.506 15.160 1.00 0.00 O ATOM 461 CG2 THR A 33 -11.016 -1.281 14.034 1.00 0.00 C ATOM 0 H THR A 33 -9.064 -0.443 11.476 1.00 0.00 H new ATOM 0 HA THR A 33 -10.974 0.409 11.951 1.00 0.00 H new ATOM 0 HB THR A 33 -11.715 0.742 14.289 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.105 1.024 14.813 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.380 -1.628 15.001 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.756 -1.505 13.266 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.081 -1.788 13.795 1.00 0.00 H new ATOM 469 N SER A 34 -9.375 2.809 11.768 1.00 0.00 N ATOM 470 CA SER A 34 -9.290 4.224 11.587 1.00 0.00 C ATOM 471 C SER A 34 -10.343 4.666 10.582 1.00 0.00 C ATOM 472 O SER A 34 -10.575 3.990 9.584 1.00 0.00 O ATOM 473 CB SER A 34 -7.901 4.602 11.088 1.00 0.00 C ATOM 474 OG SER A 34 -7.770 6.002 10.901 1.00 0.00 O ATOM 0 H SER A 34 -8.731 2.268 11.192 1.00 0.00 H new ATOM 0 HA SER A 34 -9.467 4.723 12.540 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.153 4.259 11.803 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.701 4.090 10.147 1.00 0.00 H new ATOM 0 HG SER A 34 -6.866 6.206 10.582 1.00 0.00 H new ATOM 480 N PRO A 35 -11.011 5.790 10.823 1.00 0.00 N ATOM 481 CA PRO A 35 -11.991 6.300 9.904 1.00 0.00 C ATOM 482 C PRO A 35 -11.371 7.222 8.854 1.00 0.00 C ATOM 483 O PRO A 35 -12.076 7.876 8.097 1.00 0.00 O ATOM 484 CB PRO A 35 -12.951 7.048 10.808 1.00 0.00 C ATOM 485 CG PRO A 35 -12.100 7.555 11.928 1.00 0.00 C ATOM 486 CD PRO A 35 -10.912 6.628 12.036 1.00 0.00 C ATOM 0 HA PRO A 35 -12.472 5.514 9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.437 7.867 10.278 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.741 6.393 11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.775 8.577 11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.662 7.572 12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.973 7.181 12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.955 6.026 12.944 1.00 0.00 H new ATOM 494 N ARG A 36 -10.052 7.289 8.840 1.00 0.00 N ATOM 495 CA ARG A 36 -9.343 8.035 7.811 1.00 0.00 C ATOM 496 C ARG A 36 -8.451 7.098 7.015 1.00 0.00 C ATOM 497 O ARG A 36 -7.877 7.478 5.997 1.00 0.00 O ATOM 498 CB ARG A 36 -8.485 9.177 8.387 1.00 0.00 C ATOM 499 CG ARG A 36 -7.421 8.734 9.391 1.00 0.00 C ATOM 500 CD ARG A 36 -6.327 9.780 9.543 1.00 0.00 C ATOM 501 NE ARG A 36 -5.499 9.871 8.320 1.00 0.00 N ATOM 502 CZ ARG A 36 -5.191 11.008 7.663 1.00 0.00 C ATOM 503 NH1 ARG A 36 -5.583 12.192 8.139 1.00 0.00 N ATOM 504 NH2 ARG A 36 -4.473 10.957 6.542 1.00 0.00 N ATOM 0 H ARG A 36 -9.449 6.837 9.528 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.101 8.483 7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.994 9.695 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.143 9.899 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.887 8.550 10.359 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.982 7.791 9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.775 10.751 9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.695 9.528 10.395 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.129 8.999 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.119 12.241 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.346 13.047 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.156 10.058 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.240 11.817 6.046 1.00 0.00 H new ATOM 518 N CYS A 37 -8.377 5.862 7.451 1.00 0.00 N ATOM 519 CA CYS A 37 -7.487 4.885 6.891 1.00 0.00 C ATOM 520 C CYS A 37 -8.119 3.524 7.082 1.00 0.00 C ATOM 521 O CYS A 37 -8.349 3.100 8.198 1.00 0.00 O ATOM 522 CB CYS A 37 -6.134 4.948 7.604 1.00 0.00 C ATOM 523 SG CYS A 37 -5.265 6.537 7.484 1.00 0.00 S ATOM 0 H CYS A 37 -8.946 5.506 8.219 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.321 5.077 5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.286 4.715 8.658 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.490 4.169 7.195 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.940 7.344 6.720 1.00 0.00 H new ATOM 529 N VAL A 38 -8.375 2.847 6.012 1.00 0.00 N ATOM 530 CA VAL A 38 -9.108 1.626 6.072 1.00 0.00 C ATOM 531 C VAL A 38 -8.196 0.434 5.934 1.00 0.00 C ATOM 532 O VAL A 38 -7.295 0.397 5.108 1.00 0.00 O ATOM 533 CB VAL A 38 -10.270 1.637 5.002 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.521 0.286 4.386 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.556 2.124 5.642 1.00 0.00 C ATOM 0 H VAL A 38 -8.083 3.123 5.074 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.573 1.538 7.054 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.948 2.309 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.331 0.362 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.616 -0.060 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.798 -0.424 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.353 2.129 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.829 1.460 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.412 3.134 6.026 1.00 0.00 H new ATOM 545 N ASN A 39 -8.466 -0.524 6.750 1.00 0.00 N ATOM 546 CA ASN A 39 -7.752 -1.759 6.778 1.00 0.00 C ATOM 547 C ASN A 39 -8.581 -2.822 6.155 1.00 0.00 C ATOM 548 O ASN A 39 -9.775 -2.607 5.910 1.00 0.00 O ATOM 549 CB ASN A 39 -7.311 -2.113 8.208 1.00 0.00 C ATOM 550 CG ASN A 39 -8.424 -2.037 9.220 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.678 -1.006 9.782 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.056 -3.103 9.491 1.00 0.00 N ATOM 0 H ASN A 39 -9.215 -0.471 7.441 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.836 -1.664 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.896 -3.121 8.212 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.510 -1.438 8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.793 -3.094 10.196 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.827 -3.969 9.004 1.00 0.00 H new ATOM 559 N VAL A 40 -7.962 -3.964 5.911 1.00 0.00 N ATOM 560 CA VAL A 40 -8.563 -5.117 5.227 1.00 0.00 C ATOM 561 C VAL A 40 -9.936 -5.466 5.778 1.00 0.00 C ATOM 562 O VAL A 40 -10.830 -5.827 5.030 1.00 0.00 O ATOM 563 CB VAL A 40 -7.614 -6.344 5.313 1.00 0.00 C ATOM 564 CG1 VAL A 40 -8.217 -7.588 4.698 1.00 0.00 C ATOM 565 CG2 VAL A 40 -6.312 -6.023 4.640 1.00 0.00 C ATOM 0 H VAL A 40 -6.995 -4.129 6.189 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.701 -4.839 4.182 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.450 -6.555 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.512 -8.415 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.140 -7.841 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.434 -7.405 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.648 -6.885 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.494 -5.779 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.847 -5.171 5.135 1.00 0.00 H new ATOM 575 N GLU A 41 -10.105 -5.289 7.063 1.00 0.00 N ATOM 576 CA GLU A 41 -11.335 -5.578 7.712 1.00 0.00 C ATOM 577 C GLU A 41 -12.480 -4.643 7.275 1.00 0.00 C ATOM 578 O GLU A 41 -13.559 -5.121 6.935 1.00 0.00 O ATOM 579 CB GLU A 41 -11.132 -5.622 9.200 1.00 0.00 C ATOM 580 CG GLU A 41 -10.401 -6.872 9.655 1.00 0.00 C ATOM 581 CD GLU A 41 -10.196 -6.952 11.146 1.00 0.00 C ATOM 582 OE1 GLU A 41 -11.170 -7.195 11.883 1.00 0.00 O ATOM 583 OE2 GLU A 41 -9.050 -6.810 11.613 1.00 0.00 O ATOM 0 H GLU A 41 -9.378 -4.936 7.685 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.663 -6.568 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.568 -4.743 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.101 -5.572 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.961 -7.748 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.430 -6.913 9.162 1.00 0.00 H new ATOM 590 N GLN A 42 -12.263 -3.324 7.258 1.00 0.00 N ATOM 591 CA GLN A 42 -13.297 -2.430 6.738 1.00 0.00 C ATOM 592 C GLN A 42 -13.389 -2.554 5.222 1.00 0.00 C ATOM 593 O GLN A 42 -14.479 -2.608 4.652 1.00 0.00 O ATOM 594 CB GLN A 42 -12.958 -1.026 7.094 1.00 0.00 C ATOM 595 CG GLN A 42 -12.955 -0.774 8.561 1.00 0.00 C ATOM 596 CD GLN A 42 -12.188 0.420 8.868 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.706 1.524 8.899 1.00 0.00 O ATOM 598 NE2 GLN A 42 -10.958 0.216 9.122 1.00 0.00 N ATOM 0 H GLN A 42 -11.413 -2.866 7.586 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.256 -2.705 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.976 -0.783 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.674 -0.355 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.978 -0.659 8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.530 -1.631 9.083 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.579 -0.730 9.081 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.351 0.998 9.367 1.00 0.00 H new ATOM 607 N ALA A 43 -12.229 -2.649 4.581 1.00 0.00 N ATOM 608 CA ALA A 43 -12.138 -2.740 3.120 1.00 0.00 C ATOM 609 C ALA A 43 -12.807 -3.994 2.590 1.00 0.00 C ATOM 610 O ALA A 43 -13.165 -4.061 1.428 1.00 0.00 O ATOM 611 CB ALA A 43 -10.692 -2.684 2.665 1.00 0.00 C ATOM 0 H ALA A 43 -11.325 -2.665 5.054 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.669 -1.881 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.650 -2.753 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.246 -1.743 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.140 -3.516 3.103 1.00 0.00 H new ATOM 617 N GLN A 44 -12.986 -4.977 3.460 1.00 0.00 N ATOM 618 CA GLN A 44 -13.640 -6.233 3.127 1.00 0.00 C ATOM 619 C GLN A 44 -15.073 -5.942 2.650 1.00 0.00 C ATOM 620 O GLN A 44 -15.631 -6.661 1.820 1.00 0.00 O ATOM 621 CB GLN A 44 -13.688 -7.127 4.370 1.00 0.00 C ATOM 622 CG GLN A 44 -13.722 -8.615 4.097 1.00 0.00 C ATOM 623 CD GLN A 44 -12.317 -9.217 4.065 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.326 -8.426 3.732 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -12.122 -10.388 4.385 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.677 -4.923 4.430 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.085 -6.740 2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.818 -6.908 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.569 -6.861 4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.313 -9.112 4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.218 -8.799 3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.909 -10.985 4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.173 -10.763 4.395 1.00 0.00 H new ATOM 634 N GLU A 45 -15.651 -4.877 3.180 1.00 0.00 N ATOM 635 CA GLU A 45 -16.966 -4.441 2.778 1.00 0.00 C ATOM 636 C GLU A 45 -16.845 -3.545 1.576 1.00 0.00 C ATOM 637 O GLU A 45 -17.467 -3.771 0.545 1.00 0.00 O ATOM 638 CB GLU A 45 -17.638 -3.646 3.880 1.00 0.00 C ATOM 639 CG GLU A 45 -17.801 -4.382 5.190 1.00 0.00 C ATOM 640 CD GLU A 45 -18.610 -3.582 6.165 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.854 -3.572 6.043 1.00 0.00 O ATOM 642 OE2 GLU A 45 -18.032 -2.936 7.063 1.00 0.00 O ATOM 0 H GLU A 45 -15.219 -4.296 3.898 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.560 -5.327 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.059 -2.740 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.622 -3.331 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.286 -5.342 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.820 -4.594 5.615 1.00 0.00 H new ATOM 649 N VAL A 46 -15.984 -2.556 1.715 1.00 0.00 N ATOM 650 CA VAL A 46 -15.801 -1.496 0.734 1.00 0.00 C ATOM 651 C VAL A 46 -15.425 -2.055 -0.663 1.00 0.00 C ATOM 652 O VAL A 46 -15.873 -1.541 -1.682 1.00 0.00 O ATOM 653 CB VAL A 46 -14.739 -0.461 1.218 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.743 0.767 0.341 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.975 -0.061 2.673 1.00 0.00 C ATOM 0 H VAL A 46 -15.377 -2.462 2.530 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.759 -0.986 0.634 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.763 -0.941 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.994 1.473 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.511 0.482 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.727 1.235 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.218 0.661 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.964 0.386 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.912 -0.945 3.308 1.00 0.00 H new ATOM 665 N MET A 47 -14.648 -3.141 -0.696 1.00 0.00 N ATOM 666 CA MET A 47 -14.236 -3.778 -1.968 1.00 0.00 C ATOM 667 C MET A 47 -15.436 -4.353 -2.718 1.00 0.00 C ATOM 668 O MET A 47 -15.403 -4.510 -3.934 1.00 0.00 O ATOM 669 CB MET A 47 -13.170 -4.880 -1.749 1.00 0.00 C ATOM 670 CG MET A 47 -13.663 -6.133 -1.026 1.00 0.00 C ATOM 671 SD MET A 47 -12.366 -7.376 -0.829 1.00 0.00 S ATOM 672 CE MET A 47 -13.284 -8.691 -0.024 1.00 0.00 C ATOM 0 H MET A 47 -14.287 -3.604 0.138 1.00 0.00 H new ATOM 0 HA MET A 47 -13.788 -2.992 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.771 -5.174 -2.720 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.343 -4.454 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.047 -5.855 -0.044 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.495 -6.566 -1.582 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.637 -9.204 0.688 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.139 -8.268 0.503 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.634 -9.401 -0.773 1.00 0.00 H new ATOM 682 N ALA A 48 -16.487 -4.657 -1.989 1.00 0.00 N ATOM 683 CA ALA A 48 -17.688 -5.181 -2.584 1.00 0.00 C ATOM 684 C ALA A 48 -18.615 -4.036 -2.940 1.00 0.00 C ATOM 685 O ALA A 48 -19.432 -4.146 -3.857 1.00 0.00 O ATOM 686 CB ALA A 48 -18.373 -6.151 -1.635 1.00 0.00 C ATOM 0 H ALA A 48 -16.530 -4.548 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.430 -5.726 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.279 -6.537 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.699 -6.978 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.632 -5.634 -0.711 1.00 0.00 H new ATOM 692 N ALA A 49 -18.479 -2.940 -2.212 1.00 0.00 N ATOM 693 CA ALA A 49 -19.282 -1.751 -2.424 1.00 0.00 C ATOM 694 C ALA A 49 -18.877 -1.067 -3.719 1.00 0.00 C ATOM 695 O ALA A 49 -19.721 -0.789 -4.580 1.00 0.00 O ATOM 696 CB ALA A 49 -19.130 -0.799 -1.250 1.00 0.00 C ATOM 0 H ALA A 49 -17.804 -2.851 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.329 -2.043 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.738 0.090 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.459 -1.293 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.084 -0.509 -1.149 1.00 0.00 H new ATOM 702 N ALA A 50 -17.595 -0.820 -3.866 1.00 0.00 N ATOM 703 CA ALA A 50 -17.073 -0.220 -5.027 1.00 0.00 C ATOM 704 C ALA A 50 -15.880 -1.033 -5.444 1.00 0.00 C ATOM 705 O ALA A 50 -14.852 -1.009 -4.769 1.00 0.00 O ATOM 706 CB ALA A 50 -16.676 1.210 -4.739 1.00 0.00 C ATOM 0 H ALA A 50 -16.893 -1.041 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.815 -0.197 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.273 1.665 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.550 1.771 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.918 1.226 -3.956 1.00 0.00 H new ATOM 712 N PRO A 51 -16.001 -1.805 -6.527 1.00 0.00 N ATOM 713 CA PRO A 51 -14.930 -2.686 -6.993 1.00 0.00 C ATOM 714 C PRO A 51 -13.764 -1.930 -7.669 1.00 0.00 C ATOM 715 O PRO A 51 -13.394 -2.195 -8.823 1.00 0.00 O ATOM 716 CB PRO A 51 -15.649 -3.619 -7.969 1.00 0.00 C ATOM 717 CG PRO A 51 -16.785 -2.816 -8.496 1.00 0.00 C ATOM 718 CD PRO A 51 -17.208 -1.904 -7.379 1.00 0.00 C ATOM 0 HA PRO A 51 -14.443 -3.209 -6.170 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.985 -3.939 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.001 -4.521 -7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.483 -2.243 -9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.608 -3.461 -8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.514 -0.927 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.054 -2.313 -6.827 1.00 0.00 H new ATOM 726 N LEU A 52 -13.201 -1.005 -6.941 1.00 0.00 N ATOM 727 CA LEU A 52 -12.043 -0.271 -7.354 1.00 0.00 C ATOM 728 C LEU A 52 -10.803 -1.000 -6.852 1.00 0.00 C ATOM 729 O LEU A 52 -10.917 -1.955 -6.093 1.00 0.00 O ATOM 730 CB LEU A 52 -12.125 1.210 -6.875 1.00 0.00 C ATOM 731 CG LEU A 52 -12.639 1.445 -5.432 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.565 1.212 -4.393 1.00 0.00 C ATOM 733 CD2 LEU A 52 -13.279 2.809 -5.262 1.00 0.00 C ATOM 0 H LEU A 52 -13.547 -0.736 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.987 -0.223 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.132 1.651 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.774 1.754 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.417 0.700 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.976 1.390 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.210 0.184 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.734 1.895 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.623 2.924 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.548 3.585 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.127 2.900 -5.940 1.00 0.00 H new ATOM 745 N GLN A 53 -9.659 -0.597 -7.295 1.00 0.00 N ATOM 746 CA GLN A 53 -8.447 -1.258 -6.939 1.00 0.00 C ATOM 747 C GLN A 53 -7.881 -0.734 -5.601 1.00 0.00 C ATOM 748 O GLN A 53 -8.020 0.433 -5.283 1.00 0.00 O ATOM 749 CB GLN A 53 -7.470 -1.066 -8.086 1.00 0.00 C ATOM 750 CG GLN A 53 -6.828 -2.341 -8.498 1.00 0.00 C ATOM 751 CD GLN A 53 -5.905 -2.862 -7.439 1.00 0.00 C ATOM 752 OE1 GLN A 53 -5.161 -1.972 -6.823 1.00 0.00 O flip ATOM 753 NE2 GLN A 53 -5.788 -4.059 -7.239 1.00 0.00 N flip ATOM 0 H GLN A 53 -9.537 0.203 -7.916 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.630 -2.321 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.994 -0.633 -8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.700 -0.353 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.597 -3.084 -8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.272 -2.187 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.384 -4.720 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.094 -4.399 -6.574 1.00 0.00 H new ATOM 762 N TYR A 54 -7.238 -1.606 -4.841 1.00 0.00 N ATOM 763 CA TYR A 54 -6.691 -1.251 -3.546 1.00 0.00 C ATOM 764 C TYR A 54 -5.181 -1.400 -3.513 1.00 0.00 C ATOM 765 O TYR A 54 -4.604 -2.311 -4.141 1.00 0.00 O ATOM 766 CB TYR A 54 -7.329 -2.090 -2.437 1.00 0.00 C ATOM 767 CG TYR A 54 -8.778 -1.771 -2.207 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.772 -2.313 -3.008 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.148 -0.908 -1.199 1.00 0.00 C ATOM 770 CE1 TYR A 54 -11.090 -1.992 -2.809 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.464 -0.588 -0.986 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.428 -1.126 -1.796 1.00 0.00 C ATOM 773 OH TYR A 54 -12.730 -0.789 -1.604 1.00 0.00 O ATOM 0 H TYR A 54 -7.082 -2.578 -5.106 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.927 -0.201 -3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.233 -3.146 -2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.778 -1.932 -1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.504 -2.997 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.388 -0.476 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.856 -2.415 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.738 0.083 -0.186 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.205 -0.817 -2.461 1.00 0.00 H new ATOM 783 N VAL A 55 -4.553 -0.527 -2.791 1.00 0.00 N ATOM 784 CA VAL A 55 -3.131 -0.547 -2.623 1.00 0.00 C ATOM 785 C VAL A 55 -2.885 -0.447 -1.134 1.00 0.00 C ATOM 786 O VAL A 55 -3.806 -0.105 -0.390 1.00 0.00 O ATOM 787 CB VAL A 55 -2.435 0.640 -3.376 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.717 1.991 -2.722 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.937 0.398 -3.538 1.00 0.00 C ATOM 0 H VAL A 55 -5.019 0.232 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.709 -1.459 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.874 0.678 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.212 2.779 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.791 2.178 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.349 1.982 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.487 1.240 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.477 0.296 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.776 -0.515 -4.111 1.00 0.00 H new ATOM 799 N GLY A 56 -1.711 -0.767 -0.699 1.00 0.00 N ATOM 800 CA GLY A 56 -1.441 -0.687 0.687 1.00 0.00 C ATOM 801 C GLY A 56 -0.091 -0.155 0.993 1.00 0.00 C ATOM 802 O GLY A 56 0.878 -0.608 0.450 1.00 0.00 O ATOM 0 H GLY A 56 -0.935 -1.082 -1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.190 -0.051 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.541 -1.679 1.127 1.00 0.00 H new ATOM 806 N VAL A 57 -0.030 0.823 1.837 1.00 0.00 N ATOM 807 CA VAL A 57 1.230 1.312 2.334 1.00 0.00 C ATOM 808 C VAL A 57 1.319 0.793 3.747 1.00 0.00 C ATOM 809 O VAL A 57 0.408 1.013 4.550 1.00 0.00 O ATOM 810 CB VAL A 57 1.337 2.866 2.319 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.721 3.329 2.759 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.976 3.441 0.949 1.00 0.00 C ATOM 0 H VAL A 57 -0.847 1.310 2.206 1.00 0.00 H new ATOM 0 HA VAL A 57 2.046 0.969 1.698 1.00 0.00 H new ATOM 0 HB VAL A 57 0.612 3.248 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.764 4.418 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.917 2.978 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.473 2.923 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.062 4.527 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.656 3.042 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.048 3.164 0.696 1.00 0.00 H new ATOM 822 N PHE A 58 2.352 0.072 4.042 1.00 0.00 N ATOM 823 CA PHE A 58 2.437 -0.598 5.297 1.00 0.00 C ATOM 824 C PHE A 58 3.888 -0.714 5.702 1.00 0.00 C ATOM 825 O PHE A 58 4.779 -0.738 4.857 1.00 0.00 O ATOM 826 CB PHE A 58 1.799 -1.991 5.110 1.00 0.00 C ATOM 827 CG PHE A 58 1.621 -2.823 6.344 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.754 -2.423 7.348 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.290 -4.026 6.482 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.562 -3.207 8.464 1.00 0.00 C ATOM 831 CE2 PHE A 58 2.105 -4.811 7.596 1.00 0.00 C ATOM 832 CZ PHE A 58 1.241 -4.402 8.588 1.00 0.00 C ATOM 0 H PHE A 58 3.153 -0.068 3.426 1.00 0.00 H new ATOM 0 HA PHE A 58 1.915 -0.053 6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.822 -1.858 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.412 -2.554 4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.223 -1.487 7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.966 -4.353 5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.118 -2.887 9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.636 -5.746 7.693 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.095 -5.017 9.464 1.00 0.00 H new ATOM 842 N ARG A 59 4.142 -0.753 6.968 1.00 0.00 N ATOM 843 CA ARG A 59 5.479 -0.969 7.433 1.00 0.00 C ATOM 844 C ARG A 59 5.676 -2.468 7.481 1.00 0.00 C ATOM 845 O ARG A 59 5.060 -3.156 8.269 1.00 0.00 O ATOM 846 CB ARG A 59 5.733 -0.277 8.796 1.00 0.00 C ATOM 847 CG ARG A 59 5.992 1.254 8.731 1.00 0.00 C ATOM 848 CD ARG A 59 4.890 2.042 8.000 1.00 0.00 C ATOM 849 NE ARG A 59 5.151 3.493 7.989 1.00 0.00 N ATOM 850 CZ ARG A 59 5.421 4.256 6.899 1.00 0.00 C ATOM 851 NH1 ARG A 59 5.540 3.718 5.687 1.00 0.00 N ATOM 852 NH2 ARG A 59 5.580 5.560 7.033 1.00 0.00 N ATOM 0 H ARG A 59 3.443 -0.638 7.702 1.00 0.00 H new ATOM 0 HA ARG A 59 6.211 -0.519 6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.872 -0.455 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.591 -0.753 9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.089 1.640 9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.944 1.431 8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.809 1.682 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.931 1.852 8.481 1.00 0.00 H new ATOM 0 HE ARG A 59 5.126 3.971 8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.428 2.712 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.743 4.312 4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.500 5.992 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.783 6.136 6.216 1.00 0.00 H new ATOM 866 N ASN A 60 6.480 -2.963 6.587 1.00 0.00 N ATOM 867 CA ASN A 60 6.625 -4.363 6.393 1.00 0.00 C ATOM 868 C ASN A 60 7.693 -4.858 7.285 1.00 0.00 C ATOM 869 O ASN A 60 8.837 -4.425 7.214 1.00 0.00 O ATOM 870 CB ASN A 60 6.985 -4.695 4.921 1.00 0.00 C ATOM 871 CG ASN A 60 5.865 -4.510 3.885 1.00 0.00 C ATOM 872 OD1 ASN A 60 5.841 -5.182 2.873 1.00 0.00 O ATOM 873 ND2 ASN A 60 4.952 -3.604 4.114 1.00 0.00 N ATOM 0 H ASN A 60 7.057 -2.394 5.968 1.00 0.00 H new ATOM 0 HA ASN A 60 5.677 -4.848 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.829 -4.071 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.323 -5.730 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.204 -3.452 3.438 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.988 -3.049 4.969 1.00 0.00 H new ATOM 880 N HIS A 61 7.292 -5.692 8.146 1.00 0.00 N ATOM 881 CA HIS A 61 8.182 -6.382 9.054 1.00 0.00 C ATOM 882 C HIS A 61 8.032 -7.865 8.794 1.00 0.00 C ATOM 883 O HIS A 61 8.973 -8.545 8.378 1.00 0.00 O ATOM 884 CB HIS A 61 7.816 -6.089 10.524 1.00 0.00 C ATOM 885 CG HIS A 61 7.565 -4.644 10.830 1.00 0.00 C ATOM 886 ND1 HIS A 61 8.512 -3.655 10.752 1.00 0.00 N ATOM 887 CD2 HIS A 61 6.411 -4.030 11.172 1.00 0.00 C ATOM 888 CE1 HIS A 61 7.920 -2.499 11.034 1.00 0.00 C ATOM 889 NE2 HIS A 61 6.633 -2.669 11.302 1.00 0.00 N ATOM 0 H HIS A 61 6.310 -5.942 8.266 1.00 0.00 H new ATOM 0 HA HIS A 61 9.205 -6.045 8.889 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.925 -6.661 10.784 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.623 -6.447 11.164 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.497 -3.784 10.519 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.462 -4.524 11.321 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.423 -1.543 11.044 1.00 0.00 H new ATOM 897 N ASP A 62 6.816 -8.346 8.976 1.00 0.00 N ATOM 898 CA ASP A 62 6.487 -9.738 8.765 1.00 0.00 C ATOM 899 C ASP A 62 5.940 -9.884 7.379 1.00 0.00 C ATOM 900 O ASP A 62 4.870 -9.353 7.058 1.00 0.00 O ATOM 901 CB ASP A 62 5.431 -10.225 9.754 1.00 0.00 C ATOM 902 CG ASP A 62 5.244 -11.743 9.743 1.00 0.00 C ATOM 903 OD1 ASP A 62 5.314 -12.369 8.673 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.056 -12.332 10.833 1.00 0.00 O ATOM 0 H ASP A 62 6.026 -7.775 9.276 1.00 0.00 H new ATOM 0 HA ASP A 62 7.389 -10.332 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.711 -9.908 10.759 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.479 -9.747 9.523 1.00 0.00 H new ATOM 909 N ILE A 63 6.652 -10.596 6.577 1.00 0.00 N ATOM 910 CA ILE A 63 6.287 -10.809 5.195 1.00 0.00 C ATOM 911 C ILE A 63 4.972 -11.581 5.056 1.00 0.00 C ATOM 912 O ILE A 63 4.182 -11.305 4.159 1.00 0.00 O ATOM 913 CB ILE A 63 7.431 -11.506 4.419 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.067 -11.684 2.950 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.751 -12.857 5.052 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.251 -11.989 2.069 1.00 0.00 C ATOM 0 H ILE A 63 7.518 -11.059 6.853 1.00 0.00 H new ATOM 0 HA ILE A 63 6.125 -9.826 4.752 1.00 0.00 H new ATOM 0 HB ILE A 63 8.315 -10.871 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.340 -12.491 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.582 -10.776 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.557 -13.337 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.060 -12.710 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.864 -13.491 5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.917 -12.103 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.970 -11.172 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.724 -12.913 2.402 1.00 0.00 H new ATOM 928 N ALA A 64 4.688 -12.451 6.006 1.00 0.00 N ATOM 929 CA ALA A 64 3.508 -13.292 5.935 1.00 0.00 C ATOM 930 C ALA A 64 2.277 -12.483 6.245 1.00 0.00 C ATOM 931 O ALA A 64 1.157 -12.878 5.924 1.00 0.00 O ATOM 932 CB ALA A 64 3.620 -14.476 6.878 1.00 0.00 C ATOM 0 H ALA A 64 5.260 -12.594 6.838 1.00 0.00 H new ATOM 0 HA ALA A 64 3.428 -13.682 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.721 -15.088 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.490 -15.075 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.730 -14.117 7.901 1.00 0.00 H new ATOM 938 N ASP A 65 2.477 -11.328 6.839 1.00 0.00 N ATOM 939 CA ASP A 65 1.358 -10.471 7.164 1.00 0.00 C ATOM 940 C ASP A 65 1.030 -9.633 5.955 1.00 0.00 C ATOM 941 O ASP A 65 -0.128 -9.308 5.685 1.00 0.00 O ATOM 942 CB ASP A 65 1.650 -9.581 8.357 1.00 0.00 C ATOM 943 CG ASP A 65 0.394 -8.858 8.816 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.393 -9.449 9.579 1.00 0.00 O ATOM 945 OD2 ASP A 65 0.136 -7.718 8.389 1.00 0.00 O ATOM 0 H ASP A 65 3.392 -10.963 7.104 1.00 0.00 H new ATOM 0 HA ASP A 65 0.508 -11.096 7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.048 -10.182 9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.417 -8.853 8.093 1.00 0.00 H new ATOM 950 N VAL A 66 2.063 -9.326 5.203 1.00 0.00 N ATOM 951 CA VAL A 66 1.925 -8.605 3.963 1.00 0.00 C ATOM 952 C VAL A 66 1.243 -9.518 2.956 1.00 0.00 C ATOM 953 O VAL A 66 0.316 -9.099 2.262 1.00 0.00 O ATOM 954 CB VAL A 66 3.299 -8.154 3.418 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.137 -7.286 2.177 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.080 -7.421 4.494 1.00 0.00 C ATOM 0 H VAL A 66 3.025 -9.571 5.437 1.00 0.00 H new ATOM 0 HA VAL A 66 1.330 -7.708 4.134 1.00 0.00 H new ATOM 0 HB VAL A 66 3.861 -9.043 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.119 -6.983 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.623 -7.853 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.553 -6.400 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.045 -7.110 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.520 -6.543 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.236 -8.083 5.345 1.00 0.00 H new ATOM 966 N VAL A 67 1.688 -10.789 2.922 1.00 0.00 N ATOM 967 CA VAL A 67 1.075 -11.819 2.067 1.00 0.00 C ATOM 968 C VAL A 67 -0.391 -11.932 2.412 1.00 0.00 C ATOM 969 O VAL A 67 -1.236 -11.980 1.534 1.00 0.00 O ATOM 970 CB VAL A 67 1.739 -13.218 2.252 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.064 -14.278 1.381 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.203 -13.157 1.920 1.00 0.00 C ATOM 0 H VAL A 67 2.473 -11.126 3.480 1.00 0.00 H new ATOM 0 HA VAL A 67 1.219 -11.515 1.030 1.00 0.00 H new ATOM 0 HB VAL A 67 1.616 -13.499 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.552 -15.240 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.012 -14.357 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.146 -13.993 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.648 -14.143 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.328 -12.841 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.696 -12.443 2.579 1.00 0.00 H new ATOM 982 N ASP A 68 -0.665 -11.937 3.710 1.00 0.00 N ATOM 983 CA ASP A 68 -2.016 -11.982 4.250 1.00 0.00 C ATOM 984 C ASP A 68 -2.876 -10.893 3.645 1.00 0.00 C ATOM 985 O ASP A 68 -3.816 -11.182 2.923 1.00 0.00 O ATOM 986 CB ASP A 68 -1.969 -11.837 5.779 1.00 0.00 C ATOM 987 CG ASP A 68 -3.320 -11.607 6.422 1.00 0.00 C ATOM 988 OD1 ASP A 68 -4.056 -12.573 6.671 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.643 -10.445 6.739 1.00 0.00 O ATOM 0 H ASP A 68 0.058 -11.909 4.429 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.461 -12.944 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.525 -12.737 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.311 -11.006 6.034 1.00 0.00 H new ATOM 994 N LYS A 69 -2.491 -9.655 3.855 1.00 0.00 N ATOM 995 CA LYS A 69 -3.279 -8.512 3.397 1.00 0.00 C ATOM 996 C LYS A 69 -3.408 -8.502 1.865 1.00 0.00 C ATOM 997 O LYS A 69 -4.514 -8.309 1.325 1.00 0.00 O ATOM 998 CB LYS A 69 -2.650 -7.185 3.872 1.00 0.00 C ATOM 999 CG LYS A 69 -2.388 -7.085 5.377 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.658 -7.241 6.170 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.422 -7.257 7.654 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.588 -8.401 8.061 1.00 0.00 N ATOM 0 H LYS A 69 -1.631 -9.403 4.343 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.274 -8.609 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.706 -7.041 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.307 -6.366 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.675 -7.854 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.932 -6.122 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.337 -6.424 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.153 -8.167 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.938 -6.328 7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.379 -7.301 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.831 -8.679 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.759 -9.201 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.584 -8.132 8.018 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.290 -8.751 1.182 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.234 -8.757 -0.279 1.00 0.00 C ATOM 1018 C ALA A 70 -3.106 -9.865 -0.864 1.00 0.00 C ATOM 1019 O ALA A 70 -3.569 -9.768 -1.997 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.796 -8.919 -0.751 1.00 0.00 C ATOM 0 H ALA A 70 -1.396 -8.955 1.628 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.621 -7.801 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.769 -8.922 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.194 -8.091 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.394 -9.860 -0.376 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.289 -10.915 -0.103 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.127 -12.028 -0.482 1.00 0.00 C ATOM 1028 C LYS A 71 -5.588 -11.749 -0.145 1.00 0.00 C ATOM 1029 O LYS A 71 -6.428 -11.697 -1.030 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.681 -13.284 0.251 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.556 -14.492 0.001 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.203 -15.647 0.946 1.00 0.00 C ATOM 1033 CE LYS A 71 -4.456 -15.279 2.413 1.00 0.00 C ATOM 1034 NZ LYS A 71 -4.189 -16.402 3.332 1.00 0.00 N ATOM 0 H LYS A 71 -2.853 -11.023 0.813 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.033 -12.171 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.660 -13.521 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.662 -13.079 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.603 -14.218 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.441 -14.818 -1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.794 -16.525 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.155 -15.917 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.825 -14.433 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.491 -14.956 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.375 -16.102 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.808 -17.202 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.195 -16.695 3.243 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.857 -11.534 1.146 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.217 -11.384 1.679 1.00 0.00 C ATOM 1050 C VAL A 72 -7.988 -10.288 0.960 1.00 0.00 C ATOM 1051 O VAL A 72 -9.075 -10.528 0.421 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.207 -11.085 3.208 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.607 -10.959 3.760 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.446 -12.146 3.970 1.00 0.00 C ATOM 0 H VAL A 72 -5.131 -11.458 1.858 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.717 -12.337 1.508 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.700 -10.129 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.559 -10.751 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.126 -10.145 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.148 -11.891 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.457 -11.909 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.916 -13.116 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.415 -12.179 3.617 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.433 -9.101 0.935 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.096 -8.004 0.279 1.00 0.00 C ATOM 1066 C LEU A 73 -7.811 -8.068 -1.230 1.00 0.00 C ATOM 1067 O LEU A 73 -8.594 -7.579 -2.032 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.611 -6.672 0.896 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.607 -5.484 0.913 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -8.923 -4.959 -0.472 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -9.885 -5.887 1.627 1.00 0.00 C ATOM 0 H LEU A 73 -6.533 -8.872 1.357 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.175 -8.069 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.306 -6.869 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.720 -6.356 0.354 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.123 -4.671 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.625 -4.129 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.005 -4.615 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.367 -5.755 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.579 -5.046 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.342 -6.730 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.654 -6.175 2.653 1.00 0.00 H new ATOM 1083 N SER A 74 -6.727 -8.759 -1.586 1.00 0.00 N ATOM 1084 CA SER A 74 -6.252 -8.865 -2.964 1.00 0.00 C ATOM 1085 C SER A 74 -5.877 -7.480 -3.520 1.00 0.00 C ATOM 1086 O SER A 74 -6.691 -6.775 -4.123 1.00 0.00 O ATOM 1087 CB SER A 74 -7.261 -9.600 -3.859 1.00 0.00 C ATOM 1088 OG SER A 74 -7.618 -10.855 -3.285 1.00 0.00 O ATOM 0 H SER A 74 -6.148 -9.266 -0.917 1.00 0.00 H new ATOM 0 HA SER A 74 -5.346 -9.471 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.153 -8.987 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.832 -9.755 -4.849 1.00 0.00 H new ATOM 0 HG SER A 74 -6.942 -11.118 -2.626 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.665 -7.082 -3.232 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.150 -5.788 -3.611 1.00 0.00 C ATOM 1096 C LEU A 75 -3.463 -5.854 -4.971 1.00 0.00 C ATOM 1097 O LEU A 75 -3.527 -6.869 -5.664 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.153 -5.355 -2.545 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.696 -5.357 -1.119 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.593 -5.091 -0.133 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.814 -4.342 -0.970 1.00 0.00 C ATOM 0 H LEU A 75 -3.996 -7.656 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.968 -5.072 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.286 -6.015 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.802 -4.351 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.107 -6.344 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.000 -5.096 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.831 -5.865 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.147 -4.118 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.187 -4.359 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.435 -3.347 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.624 -4.590 -1.656 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.786 -4.789 -5.324 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.084 -4.706 -6.585 1.00 0.00 C ATOM 1115 C ALA A 76 -0.688 -4.370 -6.309 1.00 0.00 C ATOM 1116 O ALA A 76 0.194 -4.863 -6.943 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.661 -3.654 -7.489 1.00 0.00 C ATOM 0 H ALA A 76 -2.705 -3.953 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.178 -5.667 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.100 -3.630 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.705 -3.887 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.597 -2.681 -7.002 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.492 -3.483 -5.372 1.00 0.00 N ATOM 1124 CA ALA A 77 0.812 -3.131 -4.937 1.00 0.00 C ATOM 1125 C ALA A 77 0.802 -2.856 -3.464 1.00 0.00 C ATOM 1126 O ALA A 77 -0.269 -2.662 -2.868 1.00 0.00 O ATOM 1127 CB ALA A 77 1.306 -1.930 -5.678 1.00 0.00 C ATOM 0 H ALA A 77 -1.243 -2.987 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 77 1.484 -3.965 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.307 -1.675 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.336 -2.148 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.635 -1.090 -5.498 1.00 0.00 H new ATOM 1133 N VAL A 78 1.958 -2.848 -2.887 1.00 0.00 N ATOM 1134 CA VAL A 78 2.130 -2.554 -1.481 1.00 0.00 C ATOM 1135 C VAL A 78 3.411 -1.751 -1.303 1.00 0.00 C ATOM 1136 O VAL A 78 4.409 -1.996 -1.978 1.00 0.00 O ATOM 1137 CB VAL A 78 2.171 -3.840 -0.615 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.275 -4.765 -1.106 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.379 -3.512 0.866 1.00 0.00 C ATOM 0 H VAL A 78 2.830 -3.047 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 78 1.271 -1.975 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 78 1.209 -4.342 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.296 -5.665 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.086 -5.039 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.236 -4.255 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.403 -4.436 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.323 -2.981 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.560 -2.885 1.218 1.00 0.00 H new ATOM 1149 N GLN A 79 3.338 -0.734 -0.511 1.00 0.00 N ATOM 1150 CA GLN A 79 4.410 0.110 -0.265 1.00 0.00 C ATOM 1151 C GLN A 79 5.008 -0.229 1.025 1.00 0.00 C ATOM 1152 O GLN A 79 4.355 -0.144 2.071 1.00 0.00 O ATOM 1153 CB GLN A 79 3.967 1.542 -0.273 1.00 0.00 C ATOM 1154 CG GLN A 79 3.774 2.139 -1.637 1.00 0.00 C ATOM 1155 CD GLN A 79 2.620 1.543 -2.411 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.517 2.031 -2.346 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.860 0.443 -3.104 1.00 0.00 N ATOM 0 H GLN A 79 2.488 -0.476 -0.009 1.00 0.00 H new ATOM 0 HA GLN A 79 5.152 -0.019 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.029 1.620 0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.703 2.137 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.613 3.212 -1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.690 2.008 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.804 0.057 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.102 -0.020 -3.605 1.00 0.00 H new ATOM 1166 N LEU A 80 6.208 -0.636 0.964 1.00 0.00 N ATOM 1167 CA LEU A 80 6.913 -1.022 2.140 1.00 0.00 C ATOM 1168 C LEU A 80 7.856 0.045 2.658 1.00 0.00 C ATOM 1169 O LEU A 80 8.253 0.971 1.933 1.00 0.00 O ATOM 1170 CB LEU A 80 7.639 -2.363 1.929 1.00 0.00 C ATOM 1171 CG LEU A 80 8.426 -2.567 0.616 1.00 0.00 C ATOM 1172 CD1 LEU A 80 9.593 -1.600 0.463 1.00 0.00 C ATOM 1173 CD2 LEU A 80 8.905 -3.996 0.528 1.00 0.00 C ATOM 0 H LEU A 80 6.744 -0.716 0.100 1.00 0.00 H new ATOM 0 HA LEU A 80 6.162 -1.153 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.333 -2.500 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.897 -3.158 2.000 1.00 0.00 H new ATOM 0 HG LEU A 80 7.743 -2.353 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.106 -1.794 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.220 -0.576 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.290 -1.737 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.460 -4.137 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.554 -4.215 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.048 -4.669 0.544 1.00 0.00 H new ATOM 1185 N HIS A 81 8.169 -0.078 3.921 1.00 0.00 N ATOM 1186 CA HIS A 81 9.197 0.698 4.550 1.00 0.00 C ATOM 1187 C HIS A 81 10.410 -0.212 4.547 1.00 0.00 C ATOM 1188 O HIS A 81 10.559 -1.074 5.410 1.00 0.00 O ATOM 1189 CB HIS A 81 8.776 1.105 5.980 1.00 0.00 C ATOM 1190 CG HIS A 81 9.764 1.973 6.719 1.00 0.00 C ATOM 1191 ND1 HIS A 81 9.901 3.330 6.517 1.00 0.00 N ATOM 1192 CD2 HIS A 81 10.648 1.653 7.693 1.00 0.00 C ATOM 1193 CE1 HIS A 81 10.835 3.784 7.353 1.00 0.00 C ATOM 1194 NE2 HIS A 81 11.325 2.805 8.094 1.00 0.00 N ATOM 0 H HIS A 81 7.706 -0.734 4.550 1.00 0.00 H new ATOM 0 HA HIS A 81 9.400 1.636 4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.824 1.633 5.925 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.605 0.200 6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.804 0.663 8.096 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.150 4.815 7.416 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.048 2.877 8.810 1.00 0.00 H new ATOM 1202 N GLY A 82 11.215 -0.059 3.524 1.00 0.00 N ATOM 1203 CA GLY A 82 12.293 -0.979 3.236 1.00 0.00 C ATOM 1204 C GLY A 82 13.449 -0.964 4.202 1.00 0.00 C ATOM 1205 O GLY A 82 14.289 -1.866 4.160 1.00 0.00 O ATOM 0 H GLY A 82 11.142 0.713 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.884 -1.989 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.675 -0.759 2.239 1.00 0.00 H new ATOM 1209 N ASN A 83 13.498 0.051 5.056 1.00 0.00 N ATOM 1210 CA ASN A 83 14.586 0.253 6.047 1.00 0.00 C ATOM 1211 C ASN A 83 14.870 -1.016 6.863 1.00 0.00 C ATOM 1212 O ASN A 83 15.994 -1.230 7.330 1.00 0.00 O ATOM 1213 CB ASN A 83 14.226 1.415 6.986 1.00 0.00 C ATOM 1214 CG ASN A 83 15.339 1.802 7.954 1.00 0.00 C ATOM 1215 OD1 ASN A 83 16.183 2.651 7.638 1.00 0.00 O ATOM 1216 ND2 ASN A 83 15.334 1.239 9.128 1.00 0.00 N ATOM 0 H ASN A 83 12.781 0.775 5.093 1.00 0.00 H new ATOM 0 HA ASN A 83 15.494 0.493 5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.963 2.285 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.339 1.144 7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.040 1.494 9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.624 0.543 9.357 1.00 0.00 H new ATOM 1223 N GLU A 84 13.844 -1.852 6.990 1.00 0.00 N ATOM 1224 CA GLU A 84 13.893 -3.105 7.711 1.00 0.00 C ATOM 1225 C GLU A 84 15.087 -3.975 7.241 1.00 0.00 C ATOM 1226 O GLU A 84 15.858 -4.483 8.059 1.00 0.00 O ATOM 1227 CB GLU A 84 12.563 -3.848 7.517 1.00 0.00 C ATOM 1228 CG GLU A 84 12.296 -4.912 8.566 1.00 0.00 C ATOM 1229 CD GLU A 84 12.256 -4.319 9.964 1.00 0.00 C ATOM 1230 OE1 GLU A 84 11.173 -3.891 10.424 1.00 0.00 O ATOM 1231 OE2 GLU A 84 13.306 -4.261 10.618 1.00 0.00 O ATOM 0 H GLU A 84 12.930 -1.664 6.578 1.00 0.00 H new ATOM 0 HA GLU A 84 14.041 -2.901 8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.748 -3.124 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.558 -4.314 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.348 -5.405 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.072 -5.676 8.516 1.00 0.00 H new ATOM 1238 N GLU A 85 15.260 -4.074 5.931 1.00 0.00 N ATOM 1239 CA GLU A 85 16.329 -4.847 5.303 1.00 0.00 C ATOM 1240 C GLU A 85 16.205 -4.647 3.803 1.00 0.00 C ATOM 1241 O GLU A 85 15.125 -4.790 3.270 1.00 0.00 O ATOM 1242 CB GLU A 85 16.199 -6.345 5.670 1.00 0.00 C ATOM 1243 CG GLU A 85 17.249 -7.263 5.060 1.00 0.00 C ATOM 1244 CD GLU A 85 17.034 -8.715 5.425 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.489 -9.144 6.518 1.00 0.00 O ATOM 1246 OE2 GLU A 85 16.415 -9.455 4.634 1.00 0.00 O ATOM 0 H GLU A 85 14.650 -3.610 5.258 1.00 0.00 H new ATOM 0 HA GLU A 85 17.306 -4.513 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.244 -6.441 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.214 -6.693 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.232 -7.158 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.238 -6.951 5.395 1.00 0.00 H new ATOM 1253 N GLN A 86 17.301 -4.354 3.125 1.00 0.00 N ATOM 1254 CA GLN A 86 17.290 -4.046 1.705 1.00 0.00 C ATOM 1255 C GLN A 86 16.914 -5.269 0.896 1.00 0.00 C ATOM 1256 O GLN A 86 16.193 -5.199 -0.094 1.00 0.00 O ATOM 1257 CB GLN A 86 18.664 -3.519 1.259 1.00 0.00 C ATOM 1258 CG GLN A 86 18.939 -2.032 1.528 1.00 0.00 C ATOM 1259 CD GLN A 86 18.965 -1.614 2.997 1.00 0.00 C ATOM 1260 OE1 GLN A 86 19.498 -2.447 3.861 1.00 0.00 O flip ATOM 1261 NE2 GLN A 86 18.581 -0.492 3.325 1.00 0.00 N flip ATOM 0 H GLN A 86 18.229 -4.323 3.546 1.00 0.00 H new ATOM 0 HA GLN A 86 16.543 -3.271 1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.435 -4.106 1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.769 -3.699 0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.898 -1.773 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.178 -1.443 1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.171 0.131 2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 86 18.672 -0.184 4.293 1.00 0.00 H new ATOM 1270 N LEU A 87 17.361 -6.382 1.378 1.00 0.00 N ATOM 1271 CA LEU A 87 17.158 -7.666 0.746 1.00 0.00 C ATOM 1272 C LEU A 87 15.769 -8.189 1.038 1.00 0.00 C ATOM 1273 O LEU A 87 15.269 -9.091 0.369 1.00 0.00 O ATOM 1274 CB LEU A 87 18.177 -8.624 1.284 1.00 0.00 C ATOM 1275 CG LEU A 87 19.620 -8.190 1.080 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.539 -8.958 1.998 1.00 0.00 C ATOM 1277 CD2 LEU A 87 20.037 -8.373 -0.372 1.00 0.00 C ATOM 0 H LEU A 87 17.894 -6.436 2.246 1.00 0.00 H new ATOM 0 HA LEU A 87 17.265 -7.560 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.000 -8.762 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.032 -9.594 0.808 1.00 0.00 H new ATOM 0 HG LEU A 87 19.696 -7.131 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.567 -8.634 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.257 -8.772 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.457 -10.024 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.073 -8.056 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.943 -9.423 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.394 -7.770 -1.014 1.00 0.00 H new ATOM 1289 N TYR A 88 15.136 -7.597 2.024 1.00 0.00 N ATOM 1290 CA TYR A 88 13.810 -7.977 2.427 1.00 0.00 C ATOM 1291 C TYR A 88 12.810 -7.609 1.362 1.00 0.00 C ATOM 1292 O TYR A 88 11.862 -8.320 1.134 1.00 0.00 O ATOM 1293 CB TYR A 88 13.483 -7.362 3.779 1.00 0.00 C ATOM 1294 CG TYR A 88 12.060 -7.453 4.222 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.468 -8.675 4.465 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.315 -6.307 4.406 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.168 -8.764 4.882 1.00 0.00 C ATOM 1298 CE2 TYR A 88 10.005 -6.384 4.831 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.436 -7.622 5.066 1.00 0.00 C ATOM 1300 OH TYR A 88 8.139 -7.718 5.496 1.00 0.00 O ATOM 0 H TYR A 88 15.533 -6.833 2.571 1.00 0.00 H new ATOM 0 HA TYR A 88 13.758 -9.059 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.107 -7.842 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.766 -6.310 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.042 -9.579 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.761 -5.342 4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.722 -9.730 5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.428 -5.483 4.979 1.00 0.00 H new ATOM 0 HH TYR A 88 8.038 -8.517 6.054 1.00 0.00 H new ATOM 1310 N ILE A 89 13.080 -6.546 0.660 1.00 0.00 N ATOM 1311 CA ILE A 89 12.224 -6.105 -0.437 1.00 0.00 C ATOM 1312 C ILE A 89 12.252 -7.168 -1.525 1.00 0.00 C ATOM 1313 O ILE A 89 11.213 -7.563 -2.079 1.00 0.00 O ATOM 1314 CB ILE A 89 12.690 -4.730 -1.032 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.476 -3.563 -0.060 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.984 -4.425 -2.337 1.00 0.00 C ATOM 1317 CD1 ILE A 89 13.344 -3.574 1.149 1.00 0.00 C ATOM 0 H ILE A 89 13.894 -5.953 0.820 1.00 0.00 H new ATOM 0 HA ILE A 89 11.214 -5.966 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 89 13.760 -4.832 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.642 -2.629 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.434 -3.566 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.330 -3.466 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.205 -5.208 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.908 -4.381 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.114 -2.708 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 89 13.164 -4.486 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.390 -3.536 0.846 1.00 0.00 H new ATOM 1329 N ASP A 90 13.441 -7.695 -1.737 1.00 0.00 N ATOM 1330 CA ASP A 90 13.683 -8.749 -2.728 1.00 0.00 C ATOM 1331 C ASP A 90 13.037 -10.068 -2.256 1.00 0.00 C ATOM 1332 O ASP A 90 12.827 -10.999 -3.023 1.00 0.00 O ATOM 1333 CB ASP A 90 15.189 -8.920 -2.885 1.00 0.00 C ATOM 1334 CG ASP A 90 15.588 -9.797 -4.065 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.576 -9.310 -5.224 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.952 -10.969 -3.862 1.00 0.00 O ATOM 0 H ASP A 90 14.278 -7.409 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 90 13.241 -8.478 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.647 -7.938 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.594 -9.352 -1.970 1.00 0.00 H new ATOM 1341 N THR A 91 12.669 -10.077 -0.999 1.00 0.00 N ATOM 1342 CA THR A 91 12.059 -11.204 -0.341 1.00 0.00 C ATOM 1343 C THR A 91 10.528 -11.167 -0.547 1.00 0.00 C ATOM 1344 O THR A 91 9.908 -12.196 -0.821 1.00 0.00 O ATOM 1345 CB THR A 91 12.403 -11.173 1.166 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.836 -11.234 1.369 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.731 -12.293 1.895 1.00 0.00 C ATOM 0 H THR A 91 12.790 -9.272 -0.385 1.00 0.00 H new ATOM 0 HA THR A 91 12.445 -12.128 -0.771 1.00 0.00 H new ATOM 0 HB THR A 91 12.034 -10.230 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.257 -10.445 0.968 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.991 -12.246 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.650 -12.204 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.061 -13.246 1.482 1.00 0.00 H new ATOM 1355 N LEU A 92 9.922 -9.973 -0.392 1.00 0.00 N ATOM 1356 CA LEU A 92 8.486 -9.763 -0.668 1.00 0.00 C ATOM 1357 C LEU A 92 8.102 -10.378 -2.005 1.00 0.00 C ATOM 1358 O LEU A 92 7.142 -11.121 -2.096 1.00 0.00 O ATOM 1359 CB LEU A 92 8.085 -8.268 -0.641 1.00 0.00 C ATOM 1360 CG LEU A 92 7.834 -7.605 0.733 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.827 -8.370 1.509 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.072 -7.506 1.538 1.00 0.00 C ATOM 0 H LEU A 92 10.408 -9.134 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 92 7.939 -10.261 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.869 -7.703 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.179 -8.155 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 92 7.467 -6.599 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.666 -7.886 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.888 -8.400 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.187 -9.386 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.847 -7.034 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.474 -8.504 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.808 -6.907 1.002 1.00 0.00 H new ATOM 1374 N ARG A 93 8.908 -10.079 -3.015 1.00 0.00 N ATOM 1375 CA ARG A 93 8.817 -10.676 -4.388 1.00 0.00 C ATOM 1376 C ARG A 93 8.572 -12.204 -4.408 1.00 0.00 C ATOM 1377 O ARG A 93 7.961 -12.717 -5.334 1.00 0.00 O ATOM 1378 CB ARG A 93 10.122 -10.431 -5.165 1.00 0.00 C ATOM 1379 CG ARG A 93 10.222 -9.125 -5.916 1.00 0.00 C ATOM 1380 CD ARG A 93 10.012 -7.924 -5.032 1.00 0.00 C ATOM 1381 NE ARG A 93 10.091 -6.691 -5.806 1.00 0.00 N ATOM 1382 CZ ARG A 93 9.084 -6.167 -6.547 1.00 0.00 C ATOM 1383 NH1 ARG A 93 7.943 -6.826 -6.739 1.00 0.00 N ATOM 1384 NH2 ARG A 93 9.246 -5.032 -7.145 1.00 0.00 N ATOM 0 H ARG A 93 9.667 -9.403 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 93 7.958 -10.184 -4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.953 -10.485 -4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.253 -11.245 -5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.203 -9.056 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.483 -9.114 -6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.039 -7.991 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.764 -7.912 -4.243 1.00 0.00 H new ATOM 0 HE ARG A 93 10.975 -6.182 -5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.811 -7.748 -6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.201 -6.408 -7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.131 -4.532 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.489 -4.637 -7.703 1.00 0.00 H new ATOM 1398 N GLU A 94 9.067 -12.908 -3.413 1.00 0.00 N ATOM 1399 CA GLU A 94 8.981 -14.359 -3.383 1.00 0.00 C ATOM 1400 C GLU A 94 7.649 -14.824 -2.822 1.00 0.00 C ATOM 1401 O GLU A 94 7.083 -15.809 -3.274 1.00 0.00 O ATOM 1402 CB GLU A 94 10.068 -14.912 -2.493 1.00 0.00 C ATOM 1403 CG GLU A 94 11.440 -14.390 -2.789 1.00 0.00 C ATOM 1404 CD GLU A 94 12.430 -14.919 -1.810 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.474 -14.434 -0.672 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.154 -15.874 -2.141 1.00 0.00 O ATOM 0 H GLU A 94 9.538 -12.498 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 94 9.088 -14.714 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.822 -14.683 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.079 -15.998 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.733 -14.676 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.435 -13.301 -2.755 1.00 0.00 H new ATOM 1413 N ALA A 95 7.165 -14.135 -1.814 1.00 0.00 N ATOM 1414 CA ALA A 95 5.939 -14.563 -1.145 1.00 0.00 C ATOM 1415 C ALA A 95 4.706 -13.887 -1.707 1.00 0.00 C ATOM 1416 O ALA A 95 3.574 -14.341 -1.516 1.00 0.00 O ATOM 1417 CB ALA A 95 6.044 -14.388 0.352 1.00 0.00 C ATOM 0 H ALA A 95 7.588 -13.287 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 95 5.821 -15.628 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.117 -14.715 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.873 -14.985 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.218 -13.337 0.584 1.00 0.00 H new ATOM 1423 N LEU A 96 4.928 -12.833 -2.379 1.00 0.00 N ATOM 1424 CA LEU A 96 3.879 -12.099 -3.039 1.00 0.00 C ATOM 1425 C LEU A 96 3.863 -12.502 -4.487 1.00 0.00 C ATOM 1426 O LEU A 96 4.913 -12.536 -5.129 1.00 0.00 O ATOM 1427 CB LEU A 96 4.060 -10.563 -2.898 1.00 0.00 C ATOM 1428 CG LEU A 96 3.680 -9.909 -1.537 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.466 -10.478 -0.371 1.00 0.00 C ATOM 1430 CD2 LEU A 96 3.889 -8.412 -1.608 1.00 0.00 C ATOM 0 H LEU A 96 5.857 -12.429 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 96 2.927 -12.340 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.105 -10.329 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.468 -10.083 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 96 2.629 -10.136 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.158 -9.984 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.274 -11.548 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.531 -10.311 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.621 -7.961 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.935 -8.201 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.261 -7.994 -2.395 1.00 0.00 H new ATOM 1442 N PRO A 97 2.695 -12.873 -5.021 1.00 0.00 N ATOM 1443 CA PRO A 97 2.574 -13.264 -6.415 1.00 0.00 C ATOM 1444 C PRO A 97 2.837 -12.076 -7.318 1.00 0.00 C ATOM 1445 O PRO A 97 2.775 -10.932 -6.877 1.00 0.00 O ATOM 1446 CB PRO A 97 1.112 -13.702 -6.547 1.00 0.00 C ATOM 1447 CG PRO A 97 0.412 -12.987 -5.452 1.00 0.00 C ATOM 1448 CD PRO A 97 1.395 -12.919 -4.322 1.00 0.00 C ATOM 0 HA PRO A 97 3.282 -14.043 -6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.703 -13.434 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.010 -14.782 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.108 -11.989 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.493 -13.517 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.238 -12.036 -3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.319 -13.787 -3.667 1.00 0.00 H new ATOM 1456 N ALA A 98 3.051 -12.336 -8.588 1.00 0.00 N ATOM 1457 CA ALA A 98 3.362 -11.286 -9.558 1.00 0.00 C ATOM 1458 C ALA A 98 2.140 -10.409 -9.832 1.00 0.00 C ATOM 1459 O ALA A 98 2.207 -9.440 -10.580 1.00 0.00 O ATOM 1460 CB ALA A 98 3.884 -11.892 -10.846 1.00 0.00 C ATOM 0 H ALA A 98 3.017 -13.274 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 98 4.140 -10.652 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.110 -11.097 -11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.789 -12.462 -10.639 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.128 -12.553 -11.270 1.00 0.00 H new ATOM 1466 N HIS A 99 1.035 -10.776 -9.226 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.209 -10.032 -9.307 1.00 0.00 C ATOM 1468 C HIS A 99 -0.145 -8.856 -8.344 1.00 0.00 C ATOM 1469 O HIS A 99 -0.835 -7.848 -8.515 1.00 0.00 O ATOM 1470 CB HIS A 99 -1.396 -10.953 -8.954 1.00 0.00 C ATOM 1471 CG HIS A 99 -1.491 -12.147 -9.832 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -1.714 -13.440 -9.396 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -1.364 -12.215 -11.149 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -1.705 -14.235 -10.467 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -1.495 -13.531 -11.572 1.00 0.00 N ATOM 0 H HIS A 99 0.970 -11.616 -8.651 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.353 -9.660 -10.322 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.300 -11.278 -7.918 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.323 -10.384 -9.024 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.185 -11.371 -11.798 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.849 -15.305 -10.439 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.441 -13.882 -12.528 1.00 0.00 H new ATOM 1483 N VAL A 100 0.708 -8.988 -7.341 1.00 0.00 N ATOM 1484 CA VAL A 100 0.929 -7.991 -6.384 1.00 0.00 C ATOM 1485 C VAL A 100 2.314 -7.385 -6.651 1.00 0.00 C ATOM 1486 O VAL A 100 3.235 -8.080 -7.086 1.00 0.00 O ATOM 1487 CB VAL A 100 0.855 -8.607 -4.969 1.00 0.00 C ATOM 1488 CG1 VAL A 100 1.153 -7.577 -3.937 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.517 -9.219 -4.718 1.00 0.00 C ATOM 0 H VAL A 100 1.267 -9.828 -7.193 1.00 0.00 H new ATOM 0 HA VAL A 100 0.170 -7.211 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 100 1.603 -9.397 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.097 -8.028 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.155 -7.180 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.426 -6.768 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.547 -9.647 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.281 -8.447 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.706 -10.002 -5.453 1.00 0.00 H new ATOM 1499 N ALA A 101 2.428 -6.109 -6.483 1.00 0.00 N ATOM 1500 CA ALA A 101 3.658 -5.407 -6.720 1.00 0.00 C ATOM 1501 C ALA A 101 4.150 -4.767 -5.448 1.00 0.00 C ATOM 1502 O ALA A 101 3.425 -4.702 -4.459 1.00 0.00 O ATOM 1503 CB ALA A 101 3.430 -4.344 -7.779 1.00 0.00 C ATOM 0 H ALA A 101 1.662 -5.511 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 101 4.413 -6.113 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.361 -3.808 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.095 -4.816 -8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.670 -3.643 -7.433 1.00 0.00 H new ATOM 1509 N ILE A 102 5.351 -4.274 -5.476 1.00 0.00 N ATOM 1510 CA ILE A 102 5.925 -3.593 -4.353 1.00 0.00 C ATOM 1511 C ILE A 102 6.326 -2.200 -4.802 1.00 0.00 C ATOM 1512 O ILE A 102 6.995 -2.051 -5.834 1.00 0.00 O ATOM 1513 CB ILE A 102 7.220 -4.272 -3.762 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.985 -5.594 -2.957 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.987 -3.265 -2.929 1.00 0.00 C ATOM 1516 CD1 ILE A 102 6.750 -6.855 -3.783 1.00 0.00 C ATOM 0 H ILE A 102 5.967 -4.333 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 102 5.165 -3.607 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 102 7.804 -4.587 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.849 -5.762 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.125 -5.448 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.882 -3.736 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.275 -2.420 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.357 -2.914 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.600 -7.704 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.865 -6.722 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.616 -7.041 -4.418 1.00 0.00 H new ATOM 1528 N TRP A 103 5.951 -1.182 -4.059 1.00 0.00 N ATOM 1529 CA TRP A 103 6.409 0.139 -4.396 1.00 0.00 C ATOM 1530 C TRP A 103 7.171 0.684 -3.224 1.00 0.00 C ATOM 1531 O TRP A 103 7.031 0.179 -2.098 1.00 0.00 O ATOM 1532 CB TRP A 103 5.278 1.102 -4.804 1.00 0.00 C ATOM 1533 CG TRP A 103 4.415 0.649 -5.951 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.693 -0.293 -6.883 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.132 1.154 -6.274 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.648 -0.422 -7.751 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.676 0.465 -7.398 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.328 2.115 -5.702 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.443 0.715 -7.968 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.096 2.375 -6.260 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.659 1.672 -7.385 1.00 0.00 C ATOM 0 H TRP A 103 5.346 -1.243 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 103 7.047 0.057 -5.276 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.639 1.270 -3.937 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.721 2.063 -5.065 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.610 -0.861 -6.932 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.602 -1.074 -8.534 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.659 2.657 -4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.110 0.175 -8.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.461 3.131 -5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.314 1.888 -7.801 1.00 0.00 H new ATOM 1552 N LYS A 104 7.946 1.693 -3.450 1.00 0.00 N ATOM 1553 CA LYS A 104 8.730 2.244 -2.410 1.00 0.00 C ATOM 1554 C LYS A 104 8.047 3.459 -1.888 1.00 0.00 C ATOM 1555 O LYS A 104 7.753 4.400 -2.642 1.00 0.00 O ATOM 1556 CB LYS A 104 10.120 2.656 -2.894 1.00 0.00 C ATOM 1557 CG LYS A 104 11.023 3.122 -1.753 1.00 0.00 C ATOM 1558 CD LYS A 104 12.232 3.887 -2.248 1.00 0.00 C ATOM 1559 CE LYS A 104 13.180 4.240 -1.102 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.533 5.000 0.001 1.00 0.00 N ATOM 0 H LYS A 104 8.049 2.151 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 104 8.844 1.480 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.588 1.813 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.023 3.457 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.450 3.754 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.354 2.257 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.763 3.290 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.907 4.800 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.604 3.321 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.010 4.827 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.067 5.874 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.557 5.239 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.522 4.419 0.863 1.00 0.00 H new ATOM 1574 N ALA A 105 7.749 3.421 -0.635 1.00 0.00 N ATOM 1575 CA ALA A 105 7.242 4.563 0.053 1.00 0.00 C ATOM 1576 C ALA A 105 8.416 5.521 0.245 1.00 0.00 C ATOM 1577 O ALA A 105 9.301 5.299 1.087 1.00 0.00 O ATOM 1578 CB ALA A 105 6.639 4.147 1.382 1.00 0.00 C ATOM 0 H ALA A 105 7.850 2.590 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 105 6.449 5.051 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.255 5.027 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.824 3.444 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.404 3.671 1.995 1.00 0.00 H new ATOM 1584 N LEU A 106 8.469 6.507 -0.594 1.00 0.00 N ATOM 1585 CA LEU A 106 9.540 7.447 -0.633 1.00 0.00 C ATOM 1586 C LEU A 106 9.257 8.579 0.322 1.00 0.00 C ATOM 1587 O LEU A 106 8.344 9.382 0.097 1.00 0.00 O ATOM 1588 CB LEU A 106 9.661 8.015 -2.057 1.00 0.00 C ATOM 1589 CG LEU A 106 10.872 8.899 -2.355 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.116 8.054 -2.543 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.618 9.773 -3.574 1.00 0.00 C ATOM 0 H LEU A 106 7.745 6.684 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 106 10.467 6.950 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.674 7.178 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.761 8.592 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 106 11.034 9.556 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.967 8.701 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.310 7.485 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.967 7.367 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.494 10.393 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.424 9.141 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.754 10.412 -3.390 1.00 0.00 H new ATOM 1603 N SER A 107 9.962 8.609 1.407 1.00 0.00 N ATOM 1604 CA SER A 107 9.887 9.735 2.271 1.00 0.00 C ATOM 1605 C SER A 107 10.884 10.750 1.734 1.00 0.00 C ATOM 1606 O SER A 107 11.898 10.360 1.124 1.00 0.00 O ATOM 1607 CB SER A 107 10.203 9.346 3.723 1.00 0.00 C ATOM 1608 OG SER A 107 10.018 10.451 4.608 1.00 0.00 O ATOM 0 H SER A 107 10.593 7.868 1.712 1.00 0.00 H new ATOM 0 HA SER A 107 8.880 10.152 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.560 8.521 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.231 8.991 3.791 1.00 0.00 H new ATOM 0 HG SER A 107 10.225 10.174 5.525 1.00 0.00 H new ATOM 1614 N VAL A 108 10.592 12.015 1.912 1.00 0.00 N ATOM 1615 CA VAL A 108 11.439 13.083 1.410 1.00 0.00 C ATOM 1616 C VAL A 108 12.874 13.002 1.968 1.00 0.00 C ATOM 1617 O VAL A 108 13.090 12.998 3.192 1.00 0.00 O ATOM 1618 CB VAL A 108 10.804 14.485 1.644 1.00 0.00 C ATOM 1619 CG1 VAL A 108 9.570 14.640 0.769 1.00 0.00 C ATOM 1620 CG2 VAL A 108 10.412 14.680 3.112 1.00 0.00 C ATOM 0 H VAL A 108 9.762 12.339 2.408 1.00 0.00 H new ATOM 0 HA VAL A 108 11.515 12.941 0.332 1.00 0.00 H new ATOM 0 HB VAL A 108 11.546 15.240 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 108 9.127 15.622 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.852 14.541 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 108 8.844 13.868 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 108 9.972 15.668 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.687 13.919 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.298 14.592 3.740 1.00 0.00 H new ATOM 1630 N GLY A 109 13.827 12.891 1.064 1.00 0.00 N ATOM 1631 CA GLY A 109 15.215 12.772 1.424 1.00 0.00 C ATOM 1632 C GLY A 109 16.030 13.854 0.763 1.00 0.00 C ATOM 1633 O GLY A 109 15.957 14.038 -0.465 1.00 0.00 O ATOM 0 H GLY A 109 13.654 12.881 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 109 15.322 12.839 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 109 15.591 11.793 1.126 1.00 0.00 H new ATOM 1637 N GLU A 110 16.801 14.552 1.556 1.00 0.00 N ATOM 1638 CA GLU A 110 17.573 15.697 1.100 1.00 0.00 C ATOM 1639 C GLU A 110 18.857 15.240 0.422 1.00 0.00 C ATOM 1640 O GLU A 110 19.469 15.973 -0.367 1.00 0.00 O ATOM 1641 CB GLU A 110 17.901 16.588 2.291 1.00 0.00 C ATOM 1642 CG GLU A 110 16.680 17.006 3.095 1.00 0.00 C ATOM 1643 CD GLU A 110 15.711 17.850 2.308 1.00 0.00 C ATOM 1644 OE1 GLU A 110 14.931 17.308 1.498 1.00 0.00 O ATOM 1645 OE2 GLU A 110 15.689 19.074 2.505 1.00 0.00 O ATOM 0 H GLU A 110 16.917 14.346 2.548 1.00 0.00 H new ATOM 0 HA GLU A 110 16.984 16.258 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.595 16.062 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 110 18.414 17.481 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 110 16.167 16.114 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 110 17.005 17.562 3.974 1.00 0.00 H new ATOM 1652 N THR A 111 19.272 14.052 0.750 1.00 0.00 N ATOM 1653 CA THR A 111 20.434 13.463 0.159 1.00 0.00 C ATOM 1654 C THR A 111 19.986 12.654 -1.057 1.00 0.00 C ATOM 1655 O THR A 111 18.947 11.996 -1.009 1.00 0.00 O ATOM 1656 CB THR A 111 21.116 12.555 1.195 1.00 0.00 C ATOM 1657 OG1 THR A 111 21.309 13.314 2.403 1.00 0.00 O ATOM 1658 CG2 THR A 111 22.471 12.057 0.701 1.00 0.00 C ATOM 0 H THR A 111 18.809 13.461 1.441 1.00 0.00 H new ATOM 0 HA THR A 111 21.147 14.226 -0.154 1.00 0.00 H new ATOM 0 HB THR A 111 20.481 11.686 1.369 1.00 0.00 H new ATOM 0 HG1 THR A 111 21.742 12.750 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 111 22.923 11.418 1.460 1.00 0.00 H new ATOM 0 HG22 THR A 111 22.336 11.488 -0.219 1.00 0.00 H new ATOM 0 HG23 THR A 111 23.123 12.909 0.508 1.00 0.00 H new ATOM 1666 N LEU A 112 20.732 12.737 -2.136 1.00 0.00 N ATOM 1667 CA LEU A 112 20.396 12.044 -3.356 1.00 0.00 C ATOM 1668 C LEU A 112 20.734 10.559 -3.242 1.00 0.00 C ATOM 1669 O LEU A 112 21.902 10.198 -3.035 1.00 0.00 O ATOM 1670 CB LEU A 112 21.155 12.652 -4.540 1.00 0.00 C ATOM 1671 CG LEU A 112 20.865 12.016 -5.903 1.00 0.00 C ATOM 1672 CD1 LEU A 112 19.406 12.188 -6.278 1.00 0.00 C ATOM 1673 CD2 LEU A 112 21.769 12.598 -6.969 1.00 0.00 C ATOM 0 H LEU A 112 21.589 13.288 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 112 19.324 12.151 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 112 20.917 13.714 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 112 22.224 12.575 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 112 21.071 10.948 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 112 19.223 11.729 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 112 18.778 11.709 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 112 19.166 13.250 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 112 21.546 12.132 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 112 21.603 13.673 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 112 22.810 12.408 -6.707 1.00 0.00 H new ATOM 1685 N PRO A 113 19.735 9.676 -3.311 1.00 0.00 N ATOM 1686 CA PRO A 113 19.966 8.251 -3.323 1.00 0.00 C ATOM 1687 C PRO A 113 20.385 7.784 -4.705 1.00 0.00 C ATOM 1688 O PRO A 113 19.805 8.202 -5.721 1.00 0.00 O ATOM 1689 CB PRO A 113 18.595 7.639 -2.980 1.00 0.00 C ATOM 1690 CG PRO A 113 17.700 8.792 -2.661 1.00 0.00 C ATOM 1691 CD PRO A 113 18.300 9.983 -3.340 1.00 0.00 C ATOM 0 HA PRO A 113 20.756 7.963 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 113 18.204 7.062 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 113 18.672 6.958 -2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 113 16.687 8.609 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 113 17.635 8.949 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 113 17.930 10.098 -4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 113 18.072 10.909 -2.812 1.00 0.00 H new ATOM 1699 N ALA A 114 21.412 6.971 -4.759 1.00 0.00 N ATOM 1700 CA ALA A 114 21.792 6.346 -6.003 1.00 0.00 C ATOM 1701 C ALA A 114 20.817 5.215 -6.252 1.00 0.00 C ATOM 1702 O ALA A 114 20.377 4.968 -7.372 1.00 0.00 O ATOM 1703 CB ALA A 114 23.219 5.820 -5.924 1.00 0.00 C ATOM 0 H ALA A 114 21.997 6.727 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 114 21.760 7.066 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 114 23.487 5.352 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 114 23.901 6.646 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 114 23.292 5.085 -5.123 1.00 0.00 H new ATOM 1709 N ARG A 115 20.465 4.565 -5.169 1.00 0.00 N ATOM 1710 CA ARG A 115 19.515 3.497 -5.131 1.00 0.00 C ATOM 1711 C ARG A 115 19.280 3.166 -3.690 1.00 0.00 C ATOM 1712 O ARG A 115 20.176 3.337 -2.865 1.00 0.00 O ATOM 1713 CB ARG A 115 19.996 2.248 -5.903 1.00 0.00 C ATOM 1714 CG ARG A 115 21.298 1.617 -5.405 1.00 0.00 C ATOM 1715 CD ARG A 115 21.677 0.429 -6.275 1.00 0.00 C ATOM 1716 NE ARG A 115 21.855 0.835 -7.677 1.00 0.00 N ATOM 1717 CZ ARG A 115 21.539 0.110 -8.757 1.00 0.00 C ATOM 1718 NH1 ARG A 115 21.046 -1.121 -8.627 1.00 0.00 N ATOM 1719 NH2 ARG A 115 21.724 0.623 -9.963 1.00 0.00 N ATOM 0 H ARG A 115 20.855 4.782 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 115 18.595 3.815 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 115 19.210 1.494 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 115 20.123 2.519 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 115 22.098 2.357 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 115 21.181 1.296 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.599 -0.019 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 115 20.902 -0.335 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 115 22.258 1.757 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 115 20.906 -1.519 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 115 20.808 -1.665 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 115 22.105 1.564 -10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 115 21.486 0.077 -10.791 1.00 0.00 H new ATOM 1733 N GLU A 116 18.101 2.755 -3.379 1.00 0.00 N ATOM 1734 CA GLU A 116 17.760 2.377 -2.038 1.00 0.00 C ATOM 1735 C GLU A 116 17.388 0.923 -2.051 1.00 0.00 C ATOM 1736 O GLU A 116 18.063 0.078 -1.470 1.00 0.00 O ATOM 1737 CB GLU A 116 16.588 3.215 -1.538 1.00 0.00 C ATOM 1738 CG GLU A 116 16.898 4.689 -1.377 1.00 0.00 C ATOM 1739 CD GLU A 116 17.907 4.936 -0.298 1.00 0.00 C ATOM 1740 OE1 GLU A 116 17.535 4.863 0.891 1.00 0.00 O ATOM 1741 OE2 GLU A 116 19.068 5.222 -0.598 1.00 0.00 O ATOM 0 H GLU A 116 17.335 2.668 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 116 18.605 2.546 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.755 3.105 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.257 2.819 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 116 17.272 5.086 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 116 15.980 5.229 -1.145 1.00 0.00 H new ATOM 1748 N PHE A 117 16.341 0.632 -2.763 1.00 0.00 N ATOM 1749 CA PHE A 117 15.846 -0.705 -2.901 1.00 0.00 C ATOM 1750 C PHE A 117 15.634 -0.910 -4.346 1.00 0.00 C ATOM 1751 O PHE A 117 14.835 -0.202 -4.963 1.00 0.00 O ATOM 1752 CB PHE A 117 14.537 -0.883 -2.117 1.00 0.00 C ATOM 1753 CG PHE A 117 14.690 -0.430 -0.710 1.00 0.00 C ATOM 1754 CD1 PHE A 117 15.459 -1.154 0.176 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.137 0.762 -0.296 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.661 -0.696 1.455 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.345 1.232 0.976 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.109 0.503 1.851 1.00 0.00 C ATOM 0 H PHE A 117 15.798 1.328 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 117 16.547 -1.436 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.740 -0.317 -2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.239 -1.931 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 117 15.905 -2.086 -0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.531 1.335 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 117 16.252 -1.275 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 117 13.910 2.170 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.278 0.869 2.853 1.00 0.00 H new ATOM 1768 N GLN A 118 16.389 -1.788 -4.913 1.00 0.00 N ATOM 1769 CA GLN A 118 16.315 -1.981 -6.323 1.00 0.00 C ATOM 1770 C GLN A 118 15.212 -2.923 -6.687 1.00 0.00 C ATOM 1771 O GLN A 118 14.789 -3.776 -5.881 1.00 0.00 O ATOM 1772 CB GLN A 118 17.627 -2.463 -6.913 1.00 0.00 C ATOM 1773 CG GLN A 118 18.027 -3.847 -6.471 1.00 0.00 C ATOM 1774 CD GLN A 118 19.345 -4.272 -7.055 1.00 0.00 C ATOM 1775 OE1 GLN A 118 20.406 -4.014 -6.477 1.00 0.00 O ATOM 1776 NE2 GLN A 118 19.308 -4.918 -8.185 1.00 0.00 N ATOM 0 H GLN A 118 17.061 -2.381 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 118 16.099 -1.003 -6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 118 17.552 -2.448 -8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 118 18.416 -1.763 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 118 18.088 -3.875 -5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 118 17.255 -4.558 -6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 118 18.412 -5.112 -8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 118 20.175 -5.230 -8.623 1.00 0.00 H new ATOM 1785 N HIS A 119 14.773 -2.761 -7.891 1.00 0.00 N ATOM 1786 CA HIS A 119 13.730 -3.516 -8.480 1.00 0.00 C ATOM 1787 C HIS A 119 12.406 -3.313 -7.730 1.00 0.00 C ATOM 1788 O HIS A 119 11.739 -4.252 -7.336 1.00 0.00 O ATOM 1789 CB HIS A 119 14.094 -5.018 -8.692 1.00 0.00 C ATOM 1790 CG HIS A 119 13.067 -5.766 -9.505 1.00 0.00 C ATOM 1791 ND1 HIS A 119 12.284 -6.787 -9.016 1.00 0.00 N ATOM 1792 CD2 HIS A 119 12.675 -5.576 -10.785 1.00 0.00 C ATOM 1793 CE1 HIS A 119 11.450 -7.171 -9.982 1.00 0.00 C ATOM 1794 NE2 HIS A 119 11.646 -6.463 -11.089 1.00 0.00 N ATOM 0 H HIS A 119 15.158 -2.057 -8.521 1.00 0.00 H new ATOM 0 HA HIS A 119 13.589 -3.126 -9.488 1.00 0.00 H new ATOM 0 HB2 HIS A 119 15.061 -5.085 -9.190 1.00 0.00 H new ATOM 0 HB3 HIS A 119 14.201 -5.500 -7.720 1.00 0.00 H new ATOM 0 HD2 HIS A 119 13.095 -4.850 -11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 119 10.713 -7.954 -9.879 1.00 0.00 H new ATOM 0 HE2 HIS A 119 11.148 -6.551 -11.975 1.00 0.00 H new ATOM 1802 N VAL A 120 12.077 -2.082 -7.469 1.00 0.00 N ATOM 1803 CA VAL A 120 10.758 -1.774 -6.979 1.00 0.00 C ATOM 1804 C VAL A 120 9.883 -1.535 -8.193 1.00 0.00 C ATOM 1805 O VAL A 120 10.399 -1.213 -9.272 1.00 0.00 O ATOM 1806 CB VAL A 120 10.698 -0.570 -5.983 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.475 -0.890 -4.714 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.209 0.727 -6.607 1.00 0.00 C ATOM 0 H VAL A 120 12.695 -1.279 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 120 10.404 -2.616 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 120 9.649 -0.414 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.423 -0.041 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.043 -1.768 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.517 -1.090 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.147 1.532 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.246 0.598 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.600 0.978 -7.475 1.00 0.00 H new ATOM 1818 N ASP A 121 8.599 -1.727 -8.072 1.00 0.00 N ATOM 1819 CA ASP A 121 7.742 -1.604 -9.258 1.00 0.00 C ATOM 1820 C ASP A 121 7.398 -0.159 -9.547 1.00 0.00 C ATOM 1821 O ASP A 121 7.101 0.203 -10.688 1.00 0.00 O ATOM 1822 CB ASP A 121 6.459 -2.439 -9.156 1.00 0.00 C ATOM 1823 CG ASP A 121 6.698 -3.924 -9.057 1.00 0.00 C ATOM 1824 OD1 ASP A 121 6.783 -4.604 -10.097 1.00 0.00 O ATOM 1825 OD2 ASP A 121 6.783 -4.449 -7.929 1.00 0.00 O ATOM 0 H ASP A 121 8.118 -1.962 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 121 8.325 -2.001 -10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.895 -2.113 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.838 -2.239 -10.029 1.00 0.00 H new ATOM 1830 N LYS A 122 7.429 0.659 -8.519 1.00 0.00 N ATOM 1831 CA LYS A 122 7.129 2.078 -8.615 1.00 0.00 C ATOM 1832 C LYS A 122 7.521 2.705 -7.291 1.00 0.00 C ATOM 1833 O LYS A 122 7.769 1.987 -6.325 1.00 0.00 O ATOM 1834 CB LYS A 122 5.614 2.276 -8.862 1.00 0.00 C ATOM 1835 CG LYS A 122 5.149 3.698 -9.140 1.00 0.00 C ATOM 1836 CD LYS A 122 3.637 3.790 -9.297 1.00 0.00 C ATOM 1837 CE LYS A 122 3.141 2.967 -10.473 1.00 0.00 C ATOM 1838 NZ LYS A 122 1.694 3.118 -10.686 1.00 0.00 N ATOM 0 H LYS A 122 7.667 0.356 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 122 7.673 2.538 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.322 1.651 -9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.075 1.906 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.468 4.348 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.629 4.064 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.155 3.444 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.349 4.832 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.673 3.269 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.374 1.916 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.450 2.803 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.179 2.541 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.429 4.117 -10.572 1.00 0.00 H new ATOM 1852 N TYR A 123 7.653 3.985 -7.250 1.00 0.00 N ATOM 1853 CA TYR A 123 7.889 4.665 -6.000 1.00 0.00 C ATOM 1854 C TYR A 123 6.868 5.779 -5.853 1.00 0.00 C ATOM 1855 O TYR A 123 6.461 6.406 -6.846 1.00 0.00 O ATOM 1856 CB TYR A 123 9.345 5.167 -5.841 1.00 0.00 C ATOM 1857 CG TYR A 123 9.724 6.249 -6.776 1.00 0.00 C ATOM 1858 CD1 TYR A 123 9.524 7.561 -6.424 1.00 0.00 C ATOM 1859 CD2 TYR A 123 10.258 5.968 -8.008 1.00 0.00 C ATOM 1860 CE1 TYR A 123 9.840 8.572 -7.263 1.00 0.00 C ATOM 1861 CE2 TYR A 123 10.589 6.971 -8.867 1.00 0.00 C ATOM 1862 CZ TYR A 123 10.377 8.283 -8.500 1.00 0.00 C ATOM 1863 OH TYR A 123 10.698 9.303 -9.372 1.00 0.00 O ATOM 0 H TYR A 123 7.603 4.595 -8.066 1.00 0.00 H new ATOM 0 HA TYR A 123 7.762 3.950 -5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.485 5.521 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 123 10.024 4.326 -5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.105 7.790 -5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 123 10.417 4.940 -8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 123 9.674 9.597 -6.967 1.00 0.00 H new ATOM 0 HE2 TYR A 123 11.016 6.740 -9.832 1.00 0.00 H new ATOM 0 HH TYR A 123 11.066 8.924 -10.197 1.00 0.00 H new ATOM 1873 N VAL A 124 6.440 6.009 -4.653 1.00 0.00 N ATOM 1874 CA VAL A 124 5.387 6.969 -4.359 1.00 0.00 C ATOM 1875 C VAL A 124 5.711 7.674 -3.067 1.00 0.00 C ATOM 1876 O VAL A 124 6.674 7.318 -2.415 1.00 0.00 O ATOM 1877 CB VAL A 124 3.986 6.282 -4.221 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.518 5.685 -5.544 1.00 0.00 C ATOM 1879 CG2 VAL A 124 4.026 5.202 -3.152 1.00 0.00 C ATOM 0 H VAL A 124 6.808 5.536 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 124 5.337 7.673 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 124 3.273 7.053 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.543 5.218 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.441 6.474 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.236 4.936 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.044 4.735 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.765 4.448 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.298 5.647 -2.195 1.00 0.00 H new ATOM 1889 N LEU A 125 4.915 8.644 -2.697 1.00 0.00 N ATOM 1890 CA LEU A 125 5.120 9.376 -1.459 1.00 0.00 C ATOM 1891 C LEU A 125 4.781 8.480 -0.262 1.00 0.00 C ATOM 1892 O LEU A 125 3.783 7.746 -0.287 1.00 0.00 O ATOM 1893 CB LEU A 125 4.252 10.646 -1.442 1.00 0.00 C ATOM 1894 CG LEU A 125 4.358 11.537 -0.193 1.00 0.00 C ATOM 1895 CD1 LEU A 125 5.765 12.100 -0.032 1.00 0.00 C ATOM 1896 CD2 LEU A 125 3.331 12.658 -0.248 1.00 0.00 C ATOM 0 H LEU A 125 4.108 8.953 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 125 6.167 9.673 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.512 11.248 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.210 10.348 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 125 4.147 10.918 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.807 12.725 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.476 11.280 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.020 12.698 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.421 13.278 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.506 13.269 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.329 12.232 -0.294 1.00 0.00 H new ATOM 1908 N ASP A 126 5.633 8.506 0.741 1.00 0.00 N ATOM 1909 CA ASP A 126 5.418 7.732 1.960 1.00 0.00 C ATOM 1910 C ASP A 126 4.287 8.313 2.779 1.00 0.00 C ATOM 1911 O ASP A 126 4.367 9.458 3.250 1.00 0.00 O ATOM 1912 CB ASP A 126 6.696 7.665 2.815 1.00 0.00 C ATOM 1913 CG ASP A 126 6.497 6.928 4.135 1.00 0.00 C ATOM 1914 OD1 ASP A 126 6.602 5.687 4.166 1.00 0.00 O ATOM 1915 OD2 ASP A 126 6.250 7.591 5.179 1.00 0.00 O ATOM 0 H ASP A 126 6.491 9.058 0.742 1.00 0.00 H new ATOM 0 HA ASP A 126 5.151 6.720 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 126 7.482 7.170 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.042 8.678 3.020 1.00 0.00 H new ATOM 1920 N ASN A 127 3.233 7.555 2.915 1.00 0.00 N ATOM 1921 CA ASN A 127 2.101 7.946 3.724 1.00 0.00 C ATOM 1922 C ASN A 127 2.013 7.067 4.937 1.00 0.00 C ATOM 1923 O ASN A 127 2.444 5.914 4.905 1.00 0.00 O ATOM 1924 CB ASN A 127 0.767 7.909 2.954 1.00 0.00 C ATOM 1925 CG ASN A 127 0.599 9.036 1.950 1.00 0.00 C ATOM 1926 OD1 ASN A 127 0.944 8.906 0.777 1.00 0.00 O ATOM 1927 ND2 ASN A 127 0.053 10.146 2.397 1.00 0.00 N ATOM 0 H ASN A 127 3.131 6.644 2.468 1.00 0.00 H new ATOM 0 HA ASN A 127 2.267 8.982 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 127 0.688 6.956 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -0.054 7.949 3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -0.096 10.932 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.222 10.221 3.376 1.00 0.00 H new ATOM 1934 N GLY A 128 1.472 7.604 5.988 1.00 0.00 N ATOM 1935 CA GLY A 128 1.342 6.883 7.218 1.00 0.00 C ATOM 1936 C GLY A 128 1.068 7.832 8.340 1.00 0.00 C ATOM 1937 O GLY A 128 0.040 7.738 9.023 1.00 0.00 O ATOM 0 H GLY A 128 1.107 8.556 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 128 0.533 6.156 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.255 6.323 7.419 1.00 0.00 H new ATOM 1941 N GLN A 129 1.966 8.759 8.526 1.00 0.00 N ATOM 1942 CA GLN A 129 1.809 9.766 9.535 1.00 0.00 C ATOM 1943 C GLN A 129 1.787 11.123 8.873 1.00 0.00 C ATOM 1944 O GLN A 129 2.404 11.312 7.804 1.00 0.00 O ATOM 1945 CB GLN A 129 2.906 9.648 10.647 1.00 0.00 C ATOM 1946 CG GLN A 129 4.375 9.825 10.205 1.00 0.00 C ATOM 1947 CD GLN A 129 4.820 11.277 10.003 1.00 0.00 C ATOM 1948 OE1 GLN A 129 4.310 12.186 10.805 1.00 0.00 O flip ATOM 1949 NE2 GLN A 129 5.663 11.563 9.156 1.00 0.00 N flip ATOM 0 H GLN A 129 2.826 8.837 7.983 1.00 0.00 H new ATOM 0 HA GLN A 129 0.860 9.621 10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 129 2.691 10.392 11.415 1.00 0.00 H new ATOM 0 HB3 GLN A 129 2.809 8.669 11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 129 5.021 9.363 10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 129 4.526 9.281 9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 129 6.041 10.837 8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 129 5.985 12.526 9.062 1.00 0.00 H new ATOM 1958 N GLY A 130 1.055 12.033 9.438 1.00 0.00 N ATOM 1959 CA GLY A 130 1.014 13.354 8.899 1.00 0.00 C ATOM 1960 C GLY A 130 -0.374 13.787 8.540 1.00 0.00 C ATOM 1961 O GLY A 130 -0.736 13.798 7.362 1.00 0.00 O ATOM 0 H GLY A 130 0.481 11.885 10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 130 1.432 14.052 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 130 1.646 13.400 8.012 1.00 0.00 H new ATOM 1965 N GLY A 131 -1.176 14.099 9.545 1.00 0.00 N ATOM 1966 CA GLY A 131 -2.486 14.661 9.281 1.00 0.00 C ATOM 1967 C GLY A 131 -2.288 16.077 8.817 1.00 0.00 C ATOM 1968 O GLY A 131 -2.774 16.489 7.763 1.00 0.00 O ATOM 0 H GLY A 131 -0.948 13.975 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -3.007 14.078 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -3.102 14.635 10.180 1.00 0.00 H new ATOM 1972 N ALA A 132 -1.547 16.792 9.613 1.00 0.00 N ATOM 1973 CA ALA A 132 -1.058 18.106 9.327 1.00 0.00 C ATOM 1974 C ALA A 132 0.283 18.206 10.029 1.00 0.00 C ATOM 1975 O ALA A 132 0.389 18.674 11.166 1.00 0.00 O ATOM 1976 CB ALA A 132 -2.026 19.191 9.805 1.00 0.00 C ATOM 0 H ALA A 132 -1.253 16.453 10.529 1.00 0.00 H new ATOM 0 HA ALA A 132 -0.959 18.264 8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -1.617 20.173 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -2.986 19.068 9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -2.165 19.106 10.883 1.00 0.00 H new ATOM 1982 N GLY A 133 1.279 17.641 9.407 1.00 0.00 N ATOM 1983 CA GLY A 133 2.576 17.547 10.012 1.00 0.00 C ATOM 1984 C GLY A 133 2.767 16.171 10.616 1.00 0.00 C ATOM 1985 O GLY A 133 3.627 15.401 10.179 1.00 0.00 O ATOM 0 H GLY A 133 1.215 17.236 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.349 17.737 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.683 18.310 10.783 1.00 0.00 H new ATOM 1989 N SER A 134 1.950 15.843 11.592 1.00 0.00 N ATOM 1990 CA SER A 134 1.989 14.550 12.216 1.00 0.00 C ATOM 1991 C SER A 134 0.613 14.276 12.827 1.00 0.00 C ATOM 1992 O SER A 134 -0.266 13.733 12.111 1.00 0.00 O ATOM 1993 CB SER A 134 3.117 14.493 13.277 1.00 0.00 C ATOM 1994 OG SER A 134 3.355 13.160 13.720 1.00 0.00 O ATOM 0 H SER A 134 1.241 16.470 11.972 1.00 0.00 H new ATOM 0 HA SER A 134 2.213 13.776 11.482 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.034 14.906 12.856 1.00 0.00 H new ATOM 0 HB3 SER A 134 2.848 15.117 14.129 1.00 0.00 H new ATOM 0 HG SER A 134 3.659 12.614 12.965 1.00 0.00 H new TER 2000 SER A 134