USER MOD reduce.3.24.130724 H: found=0, std=0, add=1277, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1277 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 37 THR OG1 : rot -79:sc= 1.44 USER MOD Set 1.2: A 38 HIS :FLIP no HE2:sc= 0.225 F(o=-0.65,f=1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.286 (180deg=-0.607!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 4:sc= 1.16 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc=-0.00797 (180deg=-0.0872) USER MOD Single : A 45 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.097) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= 1.19 (180deg=0.968) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -127:sc= 0.27 USER MOD Single : A 55 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.3!) USER MOD Single : A 58 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 0.35 (180deg=0.232) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 91 HIS : no HE2:sc= 0.415 K(o=0.42,f=-1.4) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.902 K(o=-0.9,f=-5.2!) USER MOD Single : A 117 LYS NZ :NH3+ -129:sc= -2.78! (180deg=-4.66!) USER MOD Single : A 123 MET CE :methyl 174:sc= -1.31 (180deg=-1.39) USER MOD Single : A 125 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 126 LYS NZ :NH3+ -127:sc= 1.3 (180deg=-0.00826) USER MOD Single : A 128 MET CE :methyl 178:sc= -1.03 (180deg=-1.06) USER MOD Single : A 129 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.9) USER MOD Single : A 130 LYS NZ :NH3+ -127:sc= 1.27 (180deg=-0.359) USER MOD Single : A 134 GLN : amide:sc= -0.0771 K(o=-0.077,f=-0.64) USER MOD Single : A 135 GLN : amide:sc= 0.206 K(o=0.21,f=-8!) USER MOD Single : A 139 GLN : amide:sc= -0.0543 K(o=-0.054,f=-0.66) USER MOD Single : A 141 SER OG : rot -80:sc= 0.975 USER MOD Single : A 144 THR OG1 : rot -29:sc= 0.334 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.0025) USER MOD Single : A 151 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0.0008) USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 HIS : no HD1:sc= -0.0295 X(o=-0.03,f=-0.00035) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.627 36.805 1.723 1.00 12.32 N ATOM 2 CA MET A 1 -0.610 37.005 0.244 1.00 34.51 C ATOM 3 C MET A 1 -2.003 37.374 -0.287 1.00 73.32 C ATOM 4 O MET A 1 -2.193 38.441 -0.876 1.00 74.25 O ATOM 5 CB MET A 1 -0.106 35.735 -0.464 1.00 23.32 C ATOM 6 CG MET A 1 1.274 35.285 -0.007 1.00 0.03 C ATOM 7 SD MET A 1 1.308 34.833 1.738 1.00 10.11 S ATOM 8 CE MET A 1 3.052 34.498 1.969 1.00 32.22 C ATOM 0 H1 MET A 1 0.183 36.216 2.003 1.00 12.32 H new ATOM 0 H2 MET A 1 -0.565 37.728 2.199 1.00 12.32 H new ATOM 0 H3 MET A 1 -1.511 36.332 1.999 1.00 12.32 H new ATOM 0 HA MET A 1 0.069 37.831 0.031 1.00 34.51 H new ATOM 0 HB2 MET A 1 -0.817 34.927 -0.291 1.00 23.32 H new ATOM 0 HB3 MET A 1 -0.082 35.914 -1.539 1.00 23.32 H new ATOM 0 HG2 MET A 1 1.592 34.432 -0.607 1.00 0.03 H new ATOM 0 HG3 MET A 1 1.992 36.086 -0.186 1.00 0.03 H new ATOM 0 HE1 MET A 1 3.232 34.205 3.003 1.00 32.22 H new ATOM 0 HE2 MET A 1 3.359 33.690 1.304 1.00 32.22 H new ATOM 0 HE3 MET A 1 3.628 35.395 1.740 1.00 32.22 H new ATOM 20 N GLY A 2 -2.975 36.486 -0.080 1.00 74.20 N ATOM 21 CA GLY A 2 -4.339 36.742 -0.524 1.00 72.15 C ATOM 22 C GLY A 2 -5.326 35.682 -0.047 1.00 72.41 C ATOM 23 O GLY A 2 -4.973 34.800 0.739 1.00 23.04 O ATOM 0 H GLY A 2 -2.842 35.590 0.389 1.00 74.20 H new ATOM 0 HA2 GLY A 2 -4.657 37.718 -0.159 1.00 72.15 H new ATOM 0 HA3 GLY A 2 -4.359 36.787 -1.613 1.00 72.15 H new ATOM 27 N PHE A 3 -6.562 35.761 -0.529 1.00 50.04 N ATOM 28 CA PHE A 3 -7.612 34.819 -0.133 1.00 21.30 C ATOM 29 C PHE A 3 -7.401 33.447 -0.789 1.00 35.21 C ATOM 30 O PHE A 3 -7.744 33.246 -1.957 1.00 24.41 O ATOM 31 CB PHE A 3 -8.996 35.377 -0.505 1.00 21.32 C ATOM 32 CG PHE A 3 -9.291 36.721 0.113 1.00 11.21 C ATOM 33 CD1 PHE A 3 -8.898 37.895 -0.518 1.00 70.24 C ATOM 34 CD2 PHE A 3 -9.955 36.811 1.328 1.00 54.53 C ATOM 35 CE1 PHE A 3 -9.163 39.126 0.048 1.00 65.44 C ATOM 36 CE2 PHE A 3 -10.221 38.042 1.898 1.00 61.43 C ATOM 37 CZ PHE A 3 -9.824 39.199 1.258 1.00 61.14 C ATOM 0 H PHE A 3 -6.865 36.469 -1.197 1.00 50.04 H new ATOM 0 HA PHE A 3 -7.559 34.690 0.948 1.00 21.30 H new ATOM 0 HB2 PHE A 3 -9.065 35.462 -1.589 1.00 21.32 H new ATOM 0 HB3 PHE A 3 -9.761 34.667 -0.192 1.00 21.32 H new ATOM 0 HD1 PHE A 3 -8.379 37.844 -1.463 1.00 70.24 H new ATOM 0 HD2 PHE A 3 -10.267 35.909 1.834 1.00 54.53 H new ATOM 0 HE1 PHE A 3 -8.854 40.030 -0.455 1.00 65.44 H new ATOM 0 HE2 PHE A 3 -10.739 38.099 2.844 1.00 61.43 H new ATOM 0 HZ PHE A 3 -10.030 40.161 1.704 1.00 61.14 H new ATOM 47 N LYS A 4 -6.814 32.513 -0.045 1.00 34.12 N ATOM 48 CA LYS A 4 -6.580 31.157 -0.551 1.00 22.33 C ATOM 49 C LYS A 4 -7.780 30.237 -0.261 1.00 25.30 C ATOM 50 O LYS A 4 -8.291 30.190 0.863 1.00 44.53 O ATOM 51 CB LYS A 4 -5.294 30.572 0.058 1.00 20.22 C ATOM 52 CG LYS A 4 -5.323 30.434 1.580 1.00 63.33 C ATOM 53 CD LYS A 4 -4.017 29.863 2.133 1.00 41.32 C ATOM 54 CE LYS A 4 -2.840 30.809 1.908 1.00 71.53 C ATOM 55 NZ LYS A 4 -1.560 30.239 2.405 1.00 14.50 N ATOM 0 H LYS A 4 -6.491 32.667 0.910 1.00 34.12 H new ATOM 0 HA LYS A 4 -6.460 31.219 -1.633 1.00 22.33 H new ATOM 0 HB2 LYS A 4 -5.113 29.591 -0.380 1.00 20.22 H new ATOM 0 HB3 LYS A 4 -4.453 31.206 -0.221 1.00 20.22 H new ATOM 0 HG2 LYS A 4 -5.509 31.410 2.028 1.00 63.33 H new ATOM 0 HG3 LYS A 4 -6.151 29.787 1.869 1.00 63.33 H new ATOM 0 HD2 LYS A 4 -4.128 29.670 3.200 1.00 41.32 H new ATOM 0 HD3 LYS A 4 -3.809 28.905 1.656 1.00 41.32 H new ATOM 0 HE2 LYS A 4 -2.750 31.028 0.844 1.00 71.53 H new ATOM 0 HE3 LYS A 4 -3.035 31.755 2.413 1.00 71.53 H new ATOM 0 HZ1 LYS A 4 -0.789 30.915 2.232 1.00 14.50 H new ATOM 0 HZ2 LYS A 4 -1.635 30.054 3.426 1.00 14.50 H new ATOM 0 HZ3 LYS A 4 -1.359 29.349 1.906 1.00 14.50 H new ATOM 69 N LEU A 5 -8.234 29.520 -1.289 1.00 65.11 N ATOM 70 CA LEU A 5 -9.365 28.590 -1.162 1.00 22.45 C ATOM 71 C LEU A 5 -8.867 27.134 -1.155 1.00 14.22 C ATOM 72 O LEU A 5 -7.898 26.799 -1.838 1.00 51.13 O ATOM 73 CB LEU A 5 -10.371 28.793 -2.313 1.00 43.15 C ATOM 74 CG LEU A 5 -11.098 30.155 -2.354 1.00 24.33 C ATOM 75 CD1 LEU A 5 -11.756 30.467 -1.010 1.00 71.35 C ATOM 76 CD2 LEU A 5 -10.152 31.282 -2.771 1.00 24.32 C ATOM 0 H LEU A 5 -7.835 29.564 -2.227 1.00 65.11 H new ATOM 0 HA LEU A 5 -9.868 28.797 -0.217 1.00 22.45 H new ATOM 0 HB2 LEU A 5 -9.843 28.659 -3.257 1.00 43.15 H new ATOM 0 HB3 LEU A 5 -11.122 28.006 -2.253 1.00 43.15 H new ATOM 0 HG LEU A 5 -11.882 30.085 -3.108 1.00 24.33 H new ATOM 0 HD11 LEU A 5 -12.261 31.431 -1.067 1.00 71.35 H new ATOM 0 HD12 LEU A 5 -12.483 29.691 -0.772 1.00 71.35 H new ATOM 0 HD13 LEU A 5 -10.994 30.502 -0.231 1.00 71.35 H new ATOM 0 HD21 LEU A 5 -10.697 32.226 -2.789 1.00 24.32 H new ATOM 0 HD22 LEU A 5 -9.331 31.351 -2.057 1.00 24.32 H new ATOM 0 HD23 LEU A 5 -9.753 31.074 -3.764 1.00 24.32 H new ATOM 88 N ARG A 6 -9.529 26.263 -0.397 1.00 31.34 N ATOM 89 CA ARG A 6 -9.097 24.865 -0.297 1.00 20.32 C ATOM 90 C ARG A 6 -9.548 24.053 -1.522 1.00 32.32 C ATOM 91 O ARG A 6 -10.532 23.315 -1.474 1.00 0.24 O ATOM 92 CB ARG A 6 -9.615 24.222 0.999 1.00 74.32 C ATOM 93 CG ARG A 6 -9.117 22.796 1.221 1.00 62.41 C ATOM 94 CD ARG A 6 -9.710 22.172 2.479 1.00 21.03 C ATOM 95 NE ARG A 6 -11.172 22.139 2.427 1.00 31.23 N ATOM 96 CZ ARG A 6 -11.898 21.074 2.645 1.00 64.03 C ATOM 97 NH1 ARG A 6 -11.343 19.950 2.968 1.00 3.53 N ATOM 98 NH2 ARG A 6 -13.187 21.143 2.539 1.00 42.12 N ATOM 0 H ARG A 6 -10.357 26.493 0.152 1.00 31.34 H new ATOM 0 HA ARG A 6 -8.007 24.857 -0.272 1.00 20.32 H new ATOM 0 HB2 ARG A 6 -9.313 24.838 1.846 1.00 74.32 H new ATOM 0 HB3 ARG A 6 -10.705 24.218 0.981 1.00 74.32 H new ATOM 0 HG2 ARG A 6 -9.375 22.184 0.357 1.00 62.41 H new ATOM 0 HG3 ARG A 6 -8.030 22.800 1.296 1.00 62.41 H new ATOM 0 HD2 ARG A 6 -9.327 21.159 2.598 1.00 21.03 H new ATOM 0 HD3 ARG A 6 -9.389 22.739 3.353 1.00 21.03 H new ATOM 0 HE ARG A 6 -11.659 23.008 2.205 1.00 31.23 H new ATOM 0 HH11 ARG A 6 -10.329 19.889 3.055 1.00 3.53 H new ATOM 0 HH12 ARG A 6 -11.920 19.126 3.136 1.00 3.53 H new ATOM 0 HH21 ARG A 6 -13.631 22.026 2.286 1.00 42.12 H new ATOM 0 HH22 ARG A 6 -13.758 20.315 2.708 1.00 42.12 H new ATOM 112 N GLY A 7 -8.837 24.231 -2.633 1.00 55.21 N ATOM 113 CA GLY A 7 -9.106 23.448 -3.837 1.00 45.11 C ATOM 114 C GLY A 7 -8.138 22.280 -4.010 1.00 62.40 C ATOM 115 O GLY A 7 -8.299 21.456 -4.912 1.00 63.22 O ATOM 0 H GLY A 7 -8.076 24.904 -2.725 1.00 55.21 H new ATOM 0 HA2 GLY A 7 -10.126 23.066 -3.796 1.00 45.11 H new ATOM 0 HA3 GLY A 7 -9.044 24.098 -4.710 1.00 45.11 H new ATOM 119 N GLN A 8 -7.132 22.206 -3.136 1.00 33.05 N ATOM 120 CA GLN A 8 -6.121 21.142 -3.195 1.00 43.34 C ATOM 121 C GLN A 8 -6.690 19.795 -2.724 1.00 64.32 C ATOM 122 O GLN A 8 -7.680 19.753 -1.991 1.00 25.25 O ATOM 123 CB GLN A 8 -4.905 21.518 -2.333 1.00 74.32 C ATOM 124 CG GLN A 8 -4.189 22.787 -2.793 1.00 4.31 C ATOM 125 CD GLN A 8 -2.995 23.146 -1.920 1.00 64.20 C ATOM 126 OE1 GLN A 8 -2.015 23.715 -2.389 1.00 53.41 O ATOM 127 NE2 GLN A 8 -3.066 22.828 -0.643 1.00 71.31 N ATOM 0 H GLN A 8 -6.993 22.872 -2.376 1.00 33.05 H new ATOM 0 HA GLN A 8 -5.814 21.036 -4.236 1.00 43.34 H new ATOM 0 HB2 GLN A 8 -5.230 21.650 -1.301 1.00 74.32 H new ATOM 0 HB3 GLN A 8 -4.196 20.690 -2.341 1.00 74.32 H new ATOM 0 HG2 GLN A 8 -3.853 22.656 -3.822 1.00 4.31 H new ATOM 0 HG3 GLN A 8 -4.896 23.617 -2.792 1.00 4.31 H new ATOM 0 HE21 GLN A 8 -3.894 22.355 -0.281 1.00 71.31 H new ATOM 0 HE22 GLN A 8 -2.293 23.055 -0.017 1.00 71.31 H new ATOM 136 N VAL A 9 -6.052 18.700 -3.136 1.00 44.43 N ATOM 137 CA VAL A 9 -6.503 17.352 -2.765 1.00 31.42 C ATOM 138 C VAL A 9 -6.480 17.139 -1.239 1.00 23.11 C ATOM 139 O VAL A 9 -7.466 16.689 -0.651 1.00 1.15 O ATOM 140 CB VAL A 9 -5.654 16.256 -3.474 1.00 40.34 C ATOM 141 CG1 VAL A 9 -4.166 16.411 -3.158 1.00 34.42 C ATOM 142 CG2 VAL A 9 -6.148 14.859 -3.102 1.00 75.10 C ATOM 0 H VAL A 9 -5.221 18.716 -3.727 1.00 44.43 H new ATOM 0 HA VAL A 9 -7.536 17.262 -3.101 1.00 31.42 H new ATOM 0 HB VAL A 9 -5.778 16.386 -4.549 1.00 40.34 H new ATOM 0 HG11 VAL A 9 -3.602 15.630 -3.669 1.00 34.42 H new ATOM 0 HG12 VAL A 9 -3.822 17.388 -3.497 1.00 34.42 H new ATOM 0 HG13 VAL A 9 -4.012 16.325 -2.082 1.00 34.42 H new ATOM 0 HG21 VAL A 9 -5.539 14.111 -3.610 1.00 75.10 H new ATOM 0 HG22 VAL A 9 -6.069 14.720 -2.024 1.00 75.10 H new ATOM 0 HG23 VAL A 9 -7.189 14.748 -3.407 1.00 75.10 H new ATOM 152 N SER A 10 -5.359 17.483 -0.601 1.00 53.02 N ATOM 153 CA SER A 10 -5.220 17.353 0.856 1.00 33.10 C ATOM 154 C SER A 10 -3.864 17.870 1.341 1.00 41.54 C ATOM 155 O SER A 10 -2.858 17.768 0.639 1.00 35.34 O ATOM 156 CB SER A 10 -5.376 15.889 1.297 1.00 71.22 C ATOM 157 OG SER A 10 -5.292 15.765 2.712 1.00 2.30 O ATOM 0 H SER A 10 -4.532 17.854 -1.069 1.00 53.02 H new ATOM 0 HA SER A 10 -6.011 17.956 1.301 1.00 33.10 H new ATOM 0 HB2 SER A 10 -6.335 15.503 0.952 1.00 71.22 H new ATOM 0 HB3 SER A 10 -4.601 15.281 0.830 1.00 71.22 H new ATOM 0 HG SER A 10 -5.396 14.824 2.965 1.00 2.30 H new ATOM 163 N GLU A 11 -3.846 18.433 2.544 1.00 1.11 N ATOM 164 CA GLU A 11 -2.595 18.819 3.204 1.00 44.24 C ATOM 165 C GLU A 11 -2.496 18.206 4.604 1.00 44.52 C ATOM 166 O GLU A 11 -3.448 17.613 5.115 1.00 4.45 O ATOM 167 CB GLU A 11 -2.437 20.349 3.299 1.00 33.12 C ATOM 168 CG GLU A 11 -1.917 21.006 2.021 1.00 51.04 C ATOM 169 CD GLU A 11 -1.319 22.385 2.276 1.00 73.10 C ATOM 170 OE1 GLU A 11 -0.237 22.461 2.896 1.00 41.12 O ATOM 171 OE2 GLU A 11 -1.911 23.398 1.853 1.00 23.51 O ATOM 0 H GLU A 11 -4.685 18.635 3.088 1.00 1.11 H new ATOM 0 HA GLU A 11 -1.786 18.431 2.585 1.00 44.24 H new ATOM 0 HB2 GLU A 11 -3.402 20.788 3.553 1.00 33.12 H new ATOM 0 HB3 GLU A 11 -1.756 20.582 4.117 1.00 33.12 H new ATOM 0 HG2 GLU A 11 -1.162 20.364 1.568 1.00 51.04 H new ATOM 0 HG3 GLU A 11 -2.733 21.094 1.304 1.00 51.04 H new ATOM 178 N LEU A 12 -1.329 18.368 5.214 1.00 30.23 N ATOM 179 CA LEU A 12 -1.051 17.826 6.543 1.00 73.01 C ATOM 180 C LEU A 12 -0.176 18.802 7.348 1.00 4.23 C ATOM 181 O LEU A 12 0.640 19.524 6.776 1.00 54.24 O ATOM 182 CB LEU A 12 -0.386 16.435 6.426 1.00 4.13 C ATOM 183 CG LEU A 12 0.358 16.150 5.104 1.00 62.11 C ATOM 184 CD1 LEU A 12 1.524 17.111 4.899 1.00 73.04 C ATOM 185 CD2 LEU A 12 0.836 14.699 5.056 1.00 52.12 C ATOM 0 H LEU A 12 -0.547 18.878 4.804 1.00 30.23 H new ATOM 0 HA LEU A 12 -1.992 17.703 7.080 1.00 73.01 H new ATOM 0 HB2 LEU A 12 0.320 16.321 7.249 1.00 4.13 H new ATOM 0 HB3 LEU A 12 -1.155 15.674 6.558 1.00 4.13 H new ATOM 0 HG LEU A 12 -0.346 16.309 4.287 1.00 62.11 H new ATOM 0 HD11 LEU A 12 2.024 16.881 3.958 1.00 73.04 H new ATOM 0 HD12 LEU A 12 1.151 18.135 4.870 1.00 73.04 H new ATOM 0 HD13 LEU A 12 2.231 17.006 5.722 1.00 73.04 H new ATOM 0 HD21 LEU A 12 1.358 14.519 4.116 1.00 52.12 H new ATOM 0 HD22 LEU A 12 1.513 14.511 5.889 1.00 52.12 H new ATOM 0 HD23 LEU A 12 -0.022 14.031 5.128 1.00 52.12 H new ATOM 197 N PRO A 13 -0.328 18.831 8.688 1.00 12.01 N ATOM 198 CA PRO A 13 0.356 19.820 9.552 1.00 41.33 C ATOM 199 C PRO A 13 1.862 19.551 9.759 1.00 31.02 C ATOM 200 O PRO A 13 2.400 19.799 10.842 1.00 14.21 O ATOM 201 CB PRO A 13 -0.408 19.686 10.874 1.00 4.24 C ATOM 202 CG PRO A 13 -0.867 18.268 10.901 1.00 14.32 C ATOM 203 CD PRO A 13 -1.184 17.912 9.471 1.00 10.45 C ATOM 0 HA PRO A 13 0.340 20.816 9.109 1.00 41.33 H new ATOM 0 HB2 PRO A 13 0.232 19.912 11.727 1.00 4.24 H new ATOM 0 HB3 PRO A 13 -1.250 20.376 10.917 1.00 4.24 H new ATOM 0 HG2 PRO A 13 -0.094 17.614 11.305 1.00 14.32 H new ATOM 0 HG3 PRO A 13 -1.745 18.153 11.536 1.00 14.32 H new ATOM 0 HD2 PRO A 13 -0.954 16.868 9.257 1.00 10.45 H new ATOM 0 HD3 PRO A 13 -2.240 18.058 9.246 1.00 10.45 H new ATOM 211 N PHE A 14 2.537 19.064 8.719 1.00 24.31 N ATOM 212 CA PHE A 14 3.988 18.831 8.758 1.00 74.10 C ATOM 213 C PHE A 14 4.579 18.781 7.336 1.00 71.31 C ATOM 214 O PHE A 14 4.221 17.927 6.526 1.00 53.34 O ATOM 215 CB PHE A 14 4.322 17.552 9.548 1.00 1.53 C ATOM 216 CG PHE A 14 3.475 16.352 9.203 1.00 35.32 C ATOM 217 CD1 PHE A 14 2.277 16.124 9.863 1.00 11.40 C ATOM 218 CD2 PHE A 14 3.878 15.450 8.229 1.00 31.42 C ATOM 219 CE1 PHE A 14 1.502 15.024 9.562 1.00 73.04 C ATOM 220 CE2 PHE A 14 3.104 14.349 7.923 1.00 3.21 C ATOM 221 CZ PHE A 14 1.914 14.136 8.589 1.00 74.42 C ATOM 0 H PHE A 14 2.101 18.820 7.830 1.00 24.31 H new ATOM 0 HA PHE A 14 4.449 19.671 9.278 1.00 74.10 H new ATOM 0 HB2 PHE A 14 5.369 17.300 9.378 1.00 1.53 H new ATOM 0 HB3 PHE A 14 4.213 17.761 10.612 1.00 1.53 H new ATOM 0 HD1 PHE A 14 1.947 16.817 10.623 1.00 11.40 H new ATOM 0 HD2 PHE A 14 4.808 15.611 7.704 1.00 31.42 H new ATOM 0 HE1 PHE A 14 0.573 14.857 10.087 1.00 73.04 H new ATOM 0 HE2 PHE A 14 3.429 13.654 7.163 1.00 3.21 H new ATOM 0 HZ PHE A 14 1.306 13.276 8.349 1.00 74.42 H new ATOM 231 N GLU A 15 5.491 19.709 7.046 1.00 22.21 N ATOM 232 CA GLU A 15 6.048 19.874 5.694 1.00 50.03 C ATOM 233 C GLU A 15 7.261 18.968 5.416 1.00 12.20 C ATOM 234 O GLU A 15 7.859 19.053 4.345 1.00 73.33 O ATOM 235 CB GLU A 15 6.444 21.346 5.474 1.00 23.43 C ATOM 236 CG GLU A 15 7.431 21.880 6.511 1.00 34.44 C ATOM 237 CD GLU A 15 7.808 23.334 6.276 1.00 74.42 C ATOM 238 OE1 GLU A 15 6.946 24.215 6.473 1.00 3.43 O ATOM 239 OE2 GLU A 15 8.967 23.604 5.892 1.00 30.14 O ATOM 0 H GLU A 15 5.865 20.365 7.732 1.00 22.21 H new ATOM 0 HA GLU A 15 5.266 19.575 4.996 1.00 50.03 H new ATOM 0 HB2 GLU A 15 6.882 21.450 4.481 1.00 23.43 H new ATOM 0 HB3 GLU A 15 5.544 21.961 5.492 1.00 23.43 H new ATOM 0 HG2 GLU A 15 6.996 21.779 7.505 1.00 34.44 H new ATOM 0 HG3 GLU A 15 8.333 21.269 6.495 1.00 34.44 H new ATOM 246 N ARG A 16 7.629 18.102 6.364 1.00 32.22 N ATOM 247 CA ARG A 16 8.799 17.217 6.191 1.00 44.53 C ATOM 248 C ARG A 16 8.545 15.817 6.767 1.00 0.52 C ATOM 249 O ARG A 16 8.139 15.675 7.923 1.00 54.05 O ATOM 250 CB ARG A 16 10.041 17.835 6.858 1.00 10.33 C ATOM 251 CG ARG A 16 10.436 19.194 6.291 1.00 20.51 C ATOM 252 CD ARG A 16 11.633 19.792 7.018 1.00 32.42 C ATOM 253 NE ARG A 16 11.993 21.098 6.476 1.00 20.22 N ATOM 254 CZ ARG A 16 12.733 21.968 7.095 1.00 1.21 C ATOM 255 NH1 ARG A 16 13.185 21.723 8.281 1.00 5.51 N ATOM 256 NH2 ARG A 16 13.005 23.096 6.529 1.00 32.50 N ATOM 0 H ARG A 16 7.143 17.990 7.254 1.00 32.22 H new ATOM 0 HA ARG A 16 8.973 17.115 5.120 1.00 44.53 H new ATOM 0 HB2 ARG A 16 9.853 17.939 7.927 1.00 10.33 H new ATOM 0 HB3 ARG A 16 10.880 17.148 6.747 1.00 10.33 H new ATOM 0 HG2 ARG A 16 10.671 19.090 5.232 1.00 20.51 H new ATOM 0 HG3 ARG A 16 9.590 19.877 6.364 1.00 20.51 H new ATOM 0 HD2 ARG A 16 11.404 19.888 8.079 1.00 32.42 H new ATOM 0 HD3 ARG A 16 12.484 19.116 6.936 1.00 32.42 H new ATOM 0 HE ARG A 16 11.641 21.344 5.551 1.00 20.22 H new ATOM 0 HH11 ARG A 16 12.961 20.840 8.740 1.00 5.51 H new ATOM 0 HH12 ARG A 16 13.765 22.413 8.758 1.00 5.51 H new ATOM 0 HH21 ARG A 16 12.639 23.301 5.599 1.00 32.50 H new ATOM 0 HH22 ARG A 16 13.586 23.782 7.012 1.00 32.50 H new ATOM 270 N VAL A 17 8.795 14.785 5.961 1.00 63.35 N ATOM 271 CA VAL A 17 8.619 13.392 6.395 1.00 22.45 C ATOM 272 C VAL A 17 9.829 12.525 6.025 1.00 55.50 C ATOM 273 O VAL A 17 10.572 12.829 5.092 1.00 73.01 O ATOM 274 CB VAL A 17 7.344 12.749 5.788 1.00 53.32 C ATOM 275 CG1 VAL A 17 6.086 13.400 6.356 1.00 1.22 C ATOM 276 CG2 VAL A 17 7.364 12.836 4.261 1.00 34.04 C ATOM 0 H VAL A 17 9.121 14.884 5.000 1.00 63.35 H new ATOM 0 HA VAL A 17 8.517 13.429 7.480 1.00 22.45 H new ATOM 0 HB VAL A 17 7.332 11.695 6.064 1.00 53.32 H new ATOM 0 HG11 VAL A 17 5.205 12.933 5.916 1.00 1.22 H new ATOM 0 HG12 VAL A 17 6.065 13.268 7.438 1.00 1.22 H new ATOM 0 HG13 VAL A 17 6.089 14.464 6.120 1.00 1.22 H new ATOM 0 HG21 VAL A 17 6.460 12.379 3.859 1.00 34.04 H new ATOM 0 HG22 VAL A 17 7.408 13.882 3.957 1.00 34.04 H new ATOM 0 HG23 VAL A 17 8.238 12.310 3.878 1.00 34.04 H new ATOM 286 N TYR A 18 10.014 11.441 6.767 1.00 51.42 N ATOM 287 CA TYR A 18 11.092 10.483 6.507 1.00 0.00 C ATOM 288 C TYR A 18 10.527 9.063 6.350 1.00 41.31 C ATOM 289 O TYR A 18 9.502 8.727 6.937 1.00 50.24 O ATOM 290 CB TYR A 18 12.118 10.526 7.647 1.00 35.23 C ATOM 291 CG TYR A 18 13.302 9.599 7.445 1.00 22.40 C ATOM 292 CD1 TYR A 18 14.279 9.893 6.502 1.00 72.41 C ATOM 293 CD2 TYR A 18 13.442 8.432 8.192 1.00 44.31 C ATOM 294 CE1 TYR A 18 15.358 9.057 6.310 1.00 41.21 C ATOM 295 CE2 TYR A 18 14.522 7.592 8.004 1.00 53.32 C ATOM 296 CZ TYR A 18 15.476 7.910 7.061 1.00 73.33 C ATOM 297 OH TYR A 18 16.553 7.073 6.862 1.00 2.24 O ATOM 0 H TYR A 18 9.426 11.197 7.564 1.00 51.42 H new ATOM 0 HA TYR A 18 11.587 10.759 5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.483 11.547 7.755 1.00 35.23 H new ATOM 0 HB3 TYR A 18 11.620 10.265 8.581 1.00 35.23 H new ATOM 0 HD1 TYR A 18 14.192 10.792 5.909 1.00 72.41 H new ATOM 0 HD2 TYR A 18 12.695 8.180 8.930 1.00 44.31 H new ATOM 0 HE1 TYR A 18 16.108 9.301 5.573 1.00 41.21 H new ATOM 0 HE2 TYR A 18 14.619 6.691 8.592 1.00 53.32 H new ATOM 0 HH TYR A 18 16.490 6.308 7.471 1.00 2.24 H new ATOM 307 N ILE A 19 11.204 8.232 5.564 1.00 64.42 N ATOM 308 CA ILE A 19 10.732 6.867 5.289 1.00 54.11 C ATOM 309 C ILE A 19 11.791 5.809 5.647 1.00 2.21 C ATOM 310 O ILE A 19 12.990 6.021 5.455 1.00 23.21 O ATOM 311 CB ILE A 19 10.334 6.715 3.797 1.00 52.11 C ATOM 312 CG1 ILE A 19 9.847 5.282 3.503 1.00 33.41 C ATOM 313 CG2 ILE A 19 11.506 7.092 2.885 1.00 2.20 C ATOM 314 CD1 ILE A 19 9.422 5.060 2.067 1.00 50.52 C ATOM 0 H ILE A 19 12.081 8.474 5.103 1.00 64.42 H new ATOM 0 HA ILE A 19 9.858 6.701 5.919 1.00 54.11 H new ATOM 0 HB ILE A 19 9.510 7.399 3.592 1.00 52.11 H new ATOM 0 HG12 ILE A 19 10.645 4.581 3.748 1.00 33.41 H new ATOM 0 HG13 ILE A 19 9.008 5.052 4.159 1.00 33.41 H new ATOM 0 HG21 ILE A 19 11.207 6.979 1.843 1.00 2.20 H new ATOM 0 HG22 ILE A 19 11.793 8.127 3.070 1.00 2.20 H new ATOM 0 HG23 ILE A 19 12.353 6.438 3.092 1.00 2.20 H new ATOM 0 HD11 ILE A 19 9.093 4.029 1.940 1.00 50.52 H new ATOM 0 HD12 ILE A 19 8.602 5.735 1.822 1.00 50.52 H new ATOM 0 HD13 ILE A 19 10.264 5.256 1.404 1.00 50.52 H new ATOM 326 N THR A 20 11.337 4.673 6.183 1.00 31.04 N ATOM 327 CA THR A 20 12.227 3.537 6.482 1.00 72.54 C ATOM 328 C THR A 20 11.504 2.192 6.303 1.00 31.20 C ATOM 329 O THR A 20 10.379 2.004 6.773 1.00 24.15 O ATOM 330 CB THR A 20 12.819 3.619 7.914 1.00 44.52 C ATOM 331 OG1 THR A 20 13.582 2.435 8.211 1.00 23.42 O ATOM 332 CG2 THR A 20 11.726 3.799 8.959 1.00 12.43 C ATOM 0 H THR A 20 10.358 4.511 6.421 1.00 31.04 H new ATOM 0 HA THR A 20 13.048 3.598 5.767 1.00 72.54 H new ATOM 0 HB THR A 20 13.474 4.490 7.949 1.00 44.52 H new ATOM 0 HG1 THR A 20 13.950 2.502 9.117 1.00 23.42 H new ATOM 0 HG21 THR A 20 12.176 3.853 9.950 1.00 12.43 H new ATOM 0 HG22 THR A 20 11.179 4.720 8.758 1.00 12.43 H new ATOM 0 HG23 THR A 20 11.040 2.953 8.917 1.00 12.43 H new ATOM 340 N ALA A 21 12.159 1.263 5.608 1.00 24.03 N ATOM 341 CA ALA A 21 11.590 -0.065 5.335 1.00 24.53 C ATOM 342 C ALA A 21 12.574 -1.188 5.710 1.00 3.23 C ATOM 343 O ALA A 21 13.756 -1.134 5.356 1.00 74.53 O ATOM 344 CB ALA A 21 11.205 -0.171 3.861 1.00 21.35 C ATOM 0 H ALA A 21 13.092 1.403 5.219 1.00 24.03 H new ATOM 0 HA ALA A 21 10.699 -0.185 5.952 1.00 24.53 H new ATOM 0 HB1 ALA A 21 10.784 -1.157 3.665 1.00 21.35 H new ATOM 0 HB2 ALA A 21 10.465 0.593 3.622 1.00 21.35 H new ATOM 0 HB3 ALA A 21 12.090 -0.025 3.242 1.00 21.35 H new ATOM 350 N PRO A 22 12.101 -2.223 6.436 1.00 43.54 N ATOM 351 CA PRO A 22 12.945 -3.364 6.849 1.00 55.01 C ATOM 352 C PRO A 22 13.360 -4.269 5.674 1.00 54.14 C ATOM 353 O PRO A 22 14.382 -4.957 5.738 1.00 12.31 O ATOM 354 CB PRO A 22 12.041 -4.131 7.828 1.00 50.54 C ATOM 355 CG PRO A 22 10.654 -3.790 7.400 1.00 21.51 C ATOM 356 CD PRO A 22 10.714 -2.363 6.927 1.00 41.33 C ATOM 0 HA PRO A 22 13.889 -3.030 7.280 1.00 55.01 H new ATOM 0 HB2 PRO A 22 12.220 -5.205 7.775 1.00 50.54 H new ATOM 0 HB3 PRO A 22 12.224 -3.827 8.859 1.00 50.54 H new ATOM 0 HG2 PRO A 22 10.316 -4.453 6.603 1.00 21.51 H new ATOM 0 HG3 PRO A 22 9.951 -3.900 8.226 1.00 21.51 H new ATOM 0 HD2 PRO A 22 9.987 -2.170 6.138 1.00 41.33 H new ATOM 0 HD3 PRO A 22 10.501 -1.663 7.735 1.00 41.33 H new ATOM 364 N ALA A 23 12.564 -4.261 4.605 1.00 4.25 N ATOM 365 CA ALA A 23 12.832 -5.084 3.419 1.00 4.40 C ATOM 366 C ALA A 23 12.634 -4.279 2.125 1.00 53.12 C ATOM 367 O ALA A 23 12.126 -3.156 2.152 1.00 12.32 O ATOM 368 CB ALA A 23 11.930 -6.315 3.427 1.00 45.40 C ATOM 0 H ALA A 23 11.722 -3.690 4.533 1.00 4.25 H new ATOM 0 HA ALA A 23 13.873 -5.404 3.452 1.00 4.40 H new ATOM 0 HB1 ALA A 23 12.134 -6.921 2.544 1.00 45.40 H new ATOM 0 HB2 ALA A 23 12.125 -6.903 4.324 1.00 45.40 H new ATOM 0 HB3 ALA A 23 10.886 -6.001 3.418 1.00 45.40 H new ATOM 374 N GLY A 24 13.031 -4.860 0.993 1.00 23.13 N ATOM 375 CA GLY A 24 12.899 -4.176 -0.294 1.00 13.11 C ATOM 376 C GLY A 24 11.469 -4.178 -0.823 1.00 4.20 C ATOM 377 O GLY A 24 11.159 -4.831 -1.821 1.00 54.04 O ATOM 0 H GLY A 24 13.442 -5.792 0.940 1.00 23.13 H new ATOM 0 HA2 GLY A 24 13.241 -3.146 -0.189 1.00 13.11 H new ATOM 0 HA3 GLY A 24 13.552 -4.656 -1.023 1.00 13.11 H new ATOM 381 N LEU A 25 10.600 -3.433 -0.151 1.00 44.53 N ATOM 382 CA LEU A 25 9.177 -3.383 -0.491 1.00 23.55 C ATOM 383 C LEU A 25 8.843 -2.156 -1.356 1.00 43.31 C ATOM 384 O LEU A 25 9.000 -1.014 -0.919 1.00 14.23 O ATOM 385 CB LEU A 25 8.359 -3.362 0.806 1.00 74.54 C ATOM 386 CG LEU A 25 8.618 -4.549 1.752 1.00 64.02 C ATOM 387 CD1 LEU A 25 7.955 -4.319 3.107 1.00 25.14 C ATOM 388 CD2 LEU A 25 8.135 -5.855 1.126 1.00 53.04 C ATOM 0 H LEU A 25 10.857 -2.847 0.643 1.00 44.53 H new ATOM 0 HA LEU A 25 8.925 -4.267 -1.077 1.00 23.55 H new ATOM 0 HB2 LEU A 25 8.574 -2.436 1.340 1.00 74.54 H new ATOM 0 HB3 LEU A 25 7.300 -3.344 0.551 1.00 74.54 H new ATOM 0 HG LEU A 25 9.693 -4.626 1.912 1.00 64.02 H new ATOM 0 HD11 LEU A 25 8.152 -5.171 3.758 1.00 25.14 H new ATOM 0 HD12 LEU A 25 8.359 -3.414 3.561 1.00 25.14 H new ATOM 0 HD13 LEU A 25 6.879 -4.207 2.971 1.00 25.14 H new ATOM 0 HD21 LEU A 25 8.328 -6.680 1.811 1.00 53.04 H new ATOM 0 HD22 LEU A 25 7.065 -5.790 0.928 1.00 53.04 H new ATOM 0 HD23 LEU A 25 8.667 -6.029 0.190 1.00 53.04 H new ATOM 400 N THR A 26 8.359 -2.404 -2.576 1.00 43.11 N ATOM 401 CA THR A 26 8.028 -1.326 -3.530 1.00 63.32 C ATOM 402 C THR A 26 7.039 -0.313 -2.943 1.00 4.34 C ATOM 403 O THR A 26 7.045 0.861 -3.319 1.00 12.14 O ATOM 404 CB THR A 26 7.426 -1.883 -4.842 1.00 43.43 C ATOM 405 OG1 THR A 26 6.175 -2.542 -4.577 1.00 23.02 O ATOM 406 CG2 THR A 26 8.386 -2.859 -5.511 1.00 5.41 C ATOM 0 H THR A 26 8.185 -3.343 -2.933 1.00 43.11 H new ATOM 0 HA THR A 26 8.973 -0.826 -3.741 1.00 63.32 H new ATOM 0 HB THR A 26 7.256 -1.043 -5.516 1.00 43.43 H new ATOM 0 HG1 THR A 26 5.804 -2.888 -5.415 1.00 23.02 H new ATOM 0 HG21 THR A 26 7.939 -3.236 -6.431 1.00 5.41 H new ATOM 0 HG22 THR A 26 9.320 -2.348 -5.744 1.00 5.41 H new ATOM 0 HG23 THR A 26 8.586 -3.692 -4.837 1.00 5.41 H new ATOM 414 N ILE A 27 6.197 -0.775 -2.014 1.00 54.54 N ATOM 415 CA ILE A 27 5.226 0.092 -1.334 1.00 33.14 C ATOM 416 C ILE A 27 5.891 1.386 -0.822 1.00 73.54 C ATOM 417 O ILE A 27 5.292 2.462 -0.860 1.00 53.34 O ATOM 418 CB ILE A 27 4.547 -0.658 -0.151 1.00 72.42 C ATOM 419 CG1 ILE A 27 3.406 0.181 0.458 1.00 11.31 C ATOM 420 CG2 ILE A 27 5.573 -1.034 0.920 1.00 64.41 C ATOM 421 CD1 ILE A 27 2.223 0.375 -0.471 1.00 24.54 C ATOM 0 H ILE A 27 6.167 -1.749 -1.713 1.00 54.54 H new ATOM 0 HA ILE A 27 4.464 0.363 -2.065 1.00 33.14 H new ATOM 0 HB ILE A 27 4.115 -1.578 -0.546 1.00 72.42 H new ATOM 0 HG12 ILE A 27 3.062 -0.301 1.373 1.00 11.31 H new ATOM 0 HG13 ILE A 27 3.798 1.158 0.741 1.00 11.31 H new ATOM 0 HG21 ILE A 27 5.073 -1.557 1.735 1.00 64.41 H new ATOM 0 HG22 ILE A 27 6.332 -1.683 0.484 1.00 64.41 H new ATOM 0 HG23 ILE A 27 6.046 -0.130 1.304 1.00 64.41 H new ATOM 0 HD11 ILE A 27 1.462 0.975 0.029 1.00 24.54 H new ATOM 0 HD12 ILE A 27 2.551 0.886 -1.376 1.00 24.54 H new ATOM 0 HD13 ILE A 27 1.804 -0.596 -0.734 1.00 24.54 H new ATOM 433 N GLY A 28 7.146 1.271 -0.377 1.00 12.21 N ATOM 434 CA GLY A 28 7.893 2.431 0.096 1.00 43.42 C ATOM 435 C GLY A 28 8.369 3.337 -1.036 1.00 41.42 C ATOM 436 O GLY A 28 8.290 4.562 -0.936 1.00 31.44 O ATOM 0 H GLY A 28 7.660 0.391 -0.336 1.00 12.21 H new ATOM 0 HA2 GLY A 28 7.266 3.008 0.776 1.00 43.42 H new ATOM 0 HA3 GLY A 28 8.756 2.091 0.669 1.00 43.42 H new ATOM 440 N SER A 29 8.854 2.733 -2.120 1.00 64.24 N ATOM 441 CA SER A 29 9.342 3.488 -3.283 1.00 21.34 C ATOM 442 C SER A 29 8.241 4.375 -3.885 1.00 21.30 C ATOM 443 O SER A 29 8.494 5.509 -4.302 1.00 23.23 O ATOM 444 CB SER A 29 9.883 2.531 -4.354 1.00 41.34 C ATOM 445 OG SER A 29 10.943 1.731 -3.841 1.00 62.11 O ATOM 0 H SER A 29 8.921 1.720 -2.221 1.00 64.24 H new ATOM 0 HA SER A 29 10.148 4.136 -2.938 1.00 21.34 H new ATOM 0 HB2 SER A 29 9.078 1.888 -4.711 1.00 41.34 H new ATOM 0 HB3 SER A 29 10.238 3.103 -5.211 1.00 41.34 H new ATOM 0 HG SER A 29 11.268 1.129 -4.543 1.00 62.11 H new ATOM 451 N ASP A 30 7.019 3.850 -3.931 1.00 65.12 N ATOM 452 CA ASP A 30 5.864 4.624 -4.389 1.00 54.04 C ATOM 453 C ASP A 30 5.380 5.596 -3.297 1.00 70.52 C ATOM 454 O ASP A 30 4.904 6.696 -3.595 1.00 10.24 O ATOM 455 CB ASP A 30 4.731 3.685 -4.820 1.00 64.54 C ATOM 456 CG ASP A 30 5.132 2.818 -6.002 1.00 44.32 C ATOM 457 OD1 ASP A 30 5.378 3.377 -7.092 1.00 63.20 O ATOM 458 OD2 ASP A 30 5.201 1.578 -5.856 1.00 2.10 O ATOM 0 H ASP A 30 6.801 2.892 -3.657 1.00 65.12 H new ATOM 0 HA ASP A 30 6.171 5.217 -5.250 1.00 54.04 H new ATOM 0 HB2 ASP A 30 4.449 3.048 -3.982 1.00 64.54 H new ATOM 0 HB3 ASP A 30 3.852 4.274 -5.083 1.00 64.54 H new ATOM 463 N LEU A 31 5.520 5.184 -2.036 1.00 14.10 N ATOM 464 CA LEU A 31 5.174 6.030 -0.884 1.00 31.32 C ATOM 465 C LEU A 31 5.901 7.385 -0.949 1.00 4.34 C ATOM 466 O LEU A 31 5.289 8.442 -0.771 1.00 70.11 O ATOM 467 CB LEU A 31 5.541 5.302 0.422 1.00 2.45 C ATOM 468 CG LEU A 31 5.181 6.039 1.724 1.00 64.12 C ATOM 469 CD1 LEU A 31 3.673 6.208 1.846 1.00 2.25 C ATOM 470 CD2 LEU A 31 5.745 5.304 2.939 1.00 44.13 C ATOM 0 H LEU A 31 5.874 4.262 -1.781 1.00 14.10 H new ATOM 0 HA LEU A 31 4.101 6.220 -0.910 1.00 31.32 H new ATOM 0 HB2 LEU A 31 5.044 4.332 0.427 1.00 2.45 H new ATOM 0 HB3 LEU A 31 6.614 5.111 0.420 1.00 2.45 H new ATOM 0 HG LEU A 31 5.633 7.030 1.690 1.00 64.12 H new ATOM 0 HD11 LEU A 31 3.439 6.731 2.773 1.00 2.25 H new ATOM 0 HD12 LEU A 31 3.302 6.786 1.000 1.00 2.25 H new ATOM 0 HD13 LEU A 31 3.196 5.228 1.853 1.00 2.25 H new ATOM 0 HD21 LEU A 31 5.478 5.844 3.847 1.00 44.13 H new ATOM 0 HD22 LEU A 31 5.330 4.297 2.980 1.00 44.13 H new ATOM 0 HD23 LEU A 31 6.830 5.246 2.858 1.00 44.13 H new ATOM 482 N GLU A 32 7.209 7.338 -1.220 1.00 2.35 N ATOM 483 CA GLU A 32 8.034 8.551 -1.347 1.00 21.51 C ATOM 484 C GLU A 32 7.422 9.554 -2.340 1.00 44.44 C ATOM 485 O GLU A 32 7.370 10.759 -2.082 1.00 4.24 O ATOM 486 CB GLU A 32 9.448 8.183 -1.829 1.00 15.54 C ATOM 487 CG GLU A 32 10.201 7.219 -0.917 1.00 2.25 C ATOM 488 CD GLU A 32 11.560 6.819 -1.484 1.00 40.30 C ATOM 489 OE1 GLU A 32 11.620 5.871 -2.295 1.00 51.11 O ATOM 490 OE2 GLU A 32 12.572 7.463 -1.137 1.00 53.10 O ATOM 0 H GLU A 32 7.725 6.469 -1.357 1.00 2.35 H new ATOM 0 HA GLU A 32 8.078 9.015 -0.362 1.00 21.51 H new ATOM 0 HB2 GLU A 32 9.375 7.740 -2.822 1.00 15.54 H new ATOM 0 HB3 GLU A 32 10.032 9.098 -1.930 1.00 15.54 H new ATOM 0 HG2 GLU A 32 10.341 7.682 0.060 1.00 2.25 H new ATOM 0 HG3 GLU A 32 9.598 6.324 -0.762 1.00 2.25 H new ATOM 497 N ARG A 33 6.945 9.036 -3.471 1.00 12.35 N ATOM 498 CA ARG A 33 6.461 9.879 -4.569 1.00 4.41 C ATOM 499 C ARG A 33 5.099 10.519 -4.244 1.00 62.41 C ATOM 500 O ARG A 33 4.958 11.744 -4.249 1.00 12.13 O ATOM 501 CB ARG A 33 6.345 9.050 -5.859 1.00 44.42 C ATOM 502 CG ARG A 33 7.553 8.165 -6.148 1.00 64.21 C ATOM 503 CD ARG A 33 7.431 7.473 -7.502 1.00 22.01 C ATOM 504 NE ARG A 33 8.397 6.386 -7.659 1.00 72.24 N ATOM 505 CZ ARG A 33 9.424 6.411 -8.463 1.00 75.41 C ATOM 506 NH1 ARG A 33 9.714 7.478 -9.132 1.00 15.11 N ATOM 507 NH2 ARG A 33 10.169 5.361 -8.582 1.00 15.24 N ATOM 0 H ARG A 33 6.882 8.034 -3.653 1.00 12.35 H new ATOM 0 HA ARG A 33 7.185 10.682 -4.708 1.00 4.41 H new ATOM 0 HB2 ARG A 33 5.456 8.422 -5.795 1.00 44.42 H new ATOM 0 HB3 ARG A 33 6.196 9.727 -6.700 1.00 44.42 H new ATOM 0 HG2 ARG A 33 8.460 8.769 -6.128 1.00 64.21 H new ATOM 0 HG3 ARG A 33 7.652 7.415 -5.363 1.00 64.21 H new ATOM 0 HD2 ARG A 33 6.421 7.078 -7.616 1.00 22.01 H new ATOM 0 HD3 ARG A 33 7.579 8.205 -8.296 1.00 22.01 H new ATOM 0 HE ARG A 33 8.257 5.546 -7.098 1.00 72.24 H new ATOM 0 HH11 ARG A 33 9.137 8.314 -9.035 1.00 15.11 H new ATOM 0 HH12 ARG A 33 10.520 7.485 -9.757 1.00 15.11 H new ATOM 0 HH21 ARG A 33 9.952 4.519 -8.049 1.00 15.24 H new ATOM 0 HH22 ARG A 33 10.973 5.375 -9.209 1.00 15.24 H new ATOM 521 N VAL A 34 4.104 9.678 -3.960 1.00 5.23 N ATOM 522 CA VAL A 34 2.723 10.136 -3.739 1.00 31.11 C ATOM 523 C VAL A 34 2.624 11.238 -2.664 1.00 30.20 C ATOM 524 O VAL A 34 1.985 12.269 -2.877 1.00 72.23 O ATOM 525 CB VAL A 34 1.799 8.951 -3.356 1.00 34.03 C ATOM 526 CG1 VAL A 34 0.367 9.426 -3.095 1.00 31.31 C ATOM 527 CG2 VAL A 34 1.822 7.877 -4.447 1.00 51.22 C ATOM 0 H VAL A 34 4.226 8.669 -3.876 1.00 5.23 H new ATOM 0 HA VAL A 34 2.391 10.566 -4.684 1.00 31.11 H new ATOM 0 HB VAL A 34 2.179 8.514 -2.432 1.00 34.03 H new ATOM 0 HG11 VAL A 34 -0.257 8.573 -2.829 1.00 31.31 H new ATOM 0 HG12 VAL A 34 0.366 10.146 -2.276 1.00 31.31 H new ATOM 0 HG13 VAL A 34 -0.029 9.898 -3.994 1.00 31.31 H new ATOM 0 HG21 VAL A 34 1.168 7.053 -4.161 1.00 51.22 H new ATOM 0 HG22 VAL A 34 1.475 8.306 -5.387 1.00 51.22 H new ATOM 0 HG23 VAL A 34 2.839 7.506 -4.571 1.00 51.22 H new ATOM 537 N ILE A 35 3.261 11.023 -1.520 1.00 31.45 N ATOM 538 CA ILE A 35 3.228 11.997 -0.419 1.00 44.05 C ATOM 539 C ILE A 35 3.895 13.326 -0.819 1.00 44.13 C ATOM 540 O ILE A 35 3.282 14.391 -0.725 1.00 4.50 O ATOM 541 CB ILE A 35 3.910 11.417 0.856 1.00 32.44 C ATOM 542 CG1 ILE A 35 2.992 10.393 1.561 1.00 24.44 C ATOM 543 CG2 ILE A 35 4.300 12.530 1.831 1.00 50.14 C ATOM 544 CD1 ILE A 35 2.515 9.251 0.682 1.00 63.33 C ATOM 0 H ILE A 35 3.809 10.185 -1.323 1.00 31.45 H new ATOM 0 HA ILE A 35 2.180 12.198 -0.196 1.00 44.05 H new ATOM 0 HB ILE A 35 4.818 10.906 0.535 1.00 32.44 H new ATOM 0 HG12 ILE A 35 3.526 9.976 2.415 1.00 24.44 H new ATOM 0 HG13 ILE A 35 2.121 10.918 1.954 1.00 24.44 H new ATOM 0 HG21 ILE A 35 4.773 12.094 2.711 1.00 50.14 H new ATOM 0 HG22 ILE A 35 4.997 13.212 1.344 1.00 50.14 H new ATOM 0 HG23 ILE A 35 3.408 13.078 2.134 1.00 50.14 H new ATOM 0 HD11 ILE A 35 1.878 8.585 1.264 1.00 63.33 H new ATOM 0 HD12 ILE A 35 1.949 9.651 -0.159 1.00 63.33 H new ATOM 0 HD13 ILE A 35 3.375 8.695 0.309 1.00 63.33 H new ATOM 556 N SER A 36 5.130 13.253 -1.303 1.00 33.23 N ATOM 557 CA SER A 36 5.913 14.461 -1.619 1.00 2.24 C ATOM 558 C SER A 36 5.298 15.294 -2.759 1.00 23.22 C ATOM 559 O SER A 36 5.524 16.505 -2.835 1.00 4.03 O ATOM 560 CB SER A 36 7.355 14.083 -1.983 1.00 0.04 C ATOM 561 OG SER A 36 8.139 15.232 -2.295 1.00 14.04 O ATOM 0 H SER A 36 5.617 12.376 -1.488 1.00 33.23 H new ATOM 0 HA SER A 36 5.902 15.079 -0.721 1.00 2.24 H new ATOM 0 HB2 SER A 36 7.811 13.546 -1.151 1.00 0.04 H new ATOM 0 HB3 SER A 36 7.349 13.404 -2.836 1.00 0.04 H new ATOM 0 HG SER A 36 9.051 14.954 -2.520 1.00 14.04 H new ATOM 567 N THR A 37 4.543 14.652 -3.647 1.00 45.35 N ATOM 568 CA THR A 37 3.961 15.347 -4.810 1.00 0.04 C ATOM 569 C THR A 37 2.501 15.772 -4.587 1.00 5.20 C ATOM 570 O THR A 37 2.080 16.833 -5.056 1.00 65.53 O ATOM 571 CB THR A 37 4.027 14.471 -6.083 1.00 22.20 C ATOM 572 OG1 THR A 37 3.333 13.232 -5.865 1.00 44.04 O ATOM 573 CG2 THR A 37 5.472 14.188 -6.482 1.00 31.42 C ATOM 0 H THR A 37 4.317 13.659 -3.591 1.00 45.35 H new ATOM 0 HA THR A 37 4.565 16.245 -4.941 1.00 0.04 H new ATOM 0 HB THR A 37 3.548 15.019 -6.894 1.00 22.20 H new ATOM 0 HG1 THR A 37 3.906 12.622 -5.355 1.00 44.04 H new ATOM 0 HG21 THR A 37 5.487 13.570 -7.380 1.00 31.42 H new ATOM 0 HG22 THR A 37 5.986 15.129 -6.680 1.00 31.42 H new ATOM 0 HG23 THR A 37 5.977 13.662 -5.672 1.00 31.42 H new ATOM 581 N HIS A 38 1.719 14.945 -3.895 1.00 22.44 N ATOM 582 CA HIS A 38 0.301 15.252 -3.655 1.00 10.22 C ATOM 583 C HIS A 38 0.111 16.205 -2.461 1.00 55.24 C ATOM 584 O HIS A 38 -0.694 17.133 -2.525 1.00 2.40 O ATOM 585 CB HIS A 38 -0.503 13.960 -3.436 1.00 71.52 C ATOM 586 CG HIS A 38 -0.596 13.092 -4.660 1.00 51.45 C ATOM 587 ND1 HIS A 38 0.368 12.526 -5.425 1.00 70.34 N flip ATOM 588 CD2 HIS A 38 -1.795 12.700 -5.218 1.00 62.05 C flip ATOM 589 CE1 HIS A 38 -0.264 11.816 -6.416 1.00 4.32 C flip ATOM 590 NE2 HIS A 38 -1.564 11.940 -6.268 1.00 34.23 N flip ATOM 0 H HIS A 38 2.035 14.063 -3.492 1.00 22.44 H new ATOM 0 HA HIS A 38 -0.074 15.759 -4.544 1.00 10.22 H new ATOM 0 HB2 HIS A 38 -0.043 13.388 -2.630 1.00 71.52 H new ATOM 0 HB3 HIS A 38 -1.510 14.220 -3.108 1.00 71.52 H new ATOM 0 HD1 HIS A 38 1.375 12.611 -5.290 1.00 70.34 H new ATOM 0 HD2 HIS A 38 -2.773 12.974 -4.850 1.00 62.05 H new ATOM 0 HE1 HIS A 38 0.228 11.248 -7.192 1.00 4.32 H new ATOM 599 N THR A 39 0.856 15.973 -1.376 1.00 72.41 N ATOM 600 CA THR A 39 0.745 16.803 -0.162 1.00 35.12 C ATOM 601 C THR A 39 1.987 17.678 0.058 1.00 34.54 C ATOM 602 O THR A 39 2.976 17.576 -0.667 1.00 72.33 O ATOM 603 CB THR A 39 0.520 15.942 1.108 1.00 22.12 C ATOM 604 OG1 THR A 39 1.558 14.961 1.255 1.00 61.22 O ATOM 605 CG2 THR A 39 -0.841 15.256 1.076 1.00 44.54 C ATOM 0 H THR A 39 1.542 15.221 -1.309 1.00 72.41 H new ATOM 0 HA THR A 39 -0.121 17.445 -0.325 1.00 35.12 H new ATOM 0 HB THR A 39 0.549 16.614 1.966 1.00 22.12 H new ATOM 0 HG1 THR A 39 2.229 15.087 0.552 1.00 61.22 H new ATOM 0 HG21 THR A 39 -0.969 14.660 1.979 1.00 44.54 H new ATOM 0 HG22 THR A 39 -1.627 16.009 1.024 1.00 44.54 H new ATOM 0 HG23 THR A 39 -0.901 14.608 0.202 1.00 44.54 H new ATOM 613 N ARG A 40 1.926 18.535 1.079 1.00 42.12 N ATOM 614 CA ARG A 40 3.035 19.435 1.423 1.00 13.44 C ATOM 615 C ARG A 40 4.295 18.659 1.849 1.00 35.43 C ATOM 616 O ARG A 40 5.418 19.070 1.551 1.00 14.20 O ATOM 617 CB ARG A 40 2.611 20.360 2.574 1.00 24.04 C ATOM 618 CG ARG A 40 3.624 21.459 2.902 1.00 53.31 C ATOM 619 CD ARG A 40 3.593 22.582 1.870 1.00 52.55 C ATOM 620 NE ARG A 40 2.271 23.200 1.798 1.00 51.14 N ATOM 621 CZ ARG A 40 2.024 24.365 1.267 1.00 75.24 C ATOM 622 NH1 ARG A 40 2.965 25.068 0.725 1.00 44.42 N ATOM 623 NH2 ARG A 40 0.816 24.825 1.275 1.00 23.32 N ATOM 0 H ARG A 40 1.113 18.627 1.689 1.00 42.12 H new ATOM 0 HA ARG A 40 3.274 20.014 0.531 1.00 13.44 H new ATOM 0 HB2 ARG A 40 1.658 20.824 2.320 1.00 24.04 H new ATOM 0 HB3 ARG A 40 2.444 19.757 3.467 1.00 24.04 H new ATOM 0 HG2 ARG A 40 3.411 21.867 3.890 1.00 53.31 H new ATOM 0 HG3 ARG A 40 4.625 21.030 2.943 1.00 53.31 H new ATOM 0 HD2 ARG A 40 4.336 23.337 2.128 1.00 52.55 H new ATOM 0 HD3 ARG A 40 3.866 22.187 0.891 1.00 52.55 H new ATOM 0 HE ARG A 40 1.485 22.683 2.191 1.00 51.14 H new ATOM 0 HH11 ARG A 40 3.921 24.713 0.708 1.00 44.42 H new ATOM 0 HH12 ARG A 40 2.751 25.977 0.315 1.00 44.42 H new ATOM 0 HH21 ARG A 40 0.065 24.278 1.695 1.00 23.32 H new ATOM 0 HH22 ARG A 40 0.614 25.735 0.862 1.00 23.32 H new ATOM 637 N ALA A 41 4.087 17.538 2.538 1.00 41.12 N ATOM 638 CA ALA A 41 5.171 16.769 3.163 1.00 14.22 C ATOM 639 C ALA A 41 6.314 16.428 2.191 1.00 24.54 C ATOM 640 O ALA A 41 6.190 15.549 1.339 1.00 35.15 O ATOM 641 CB ALA A 41 4.608 15.497 3.779 1.00 1.33 C ATOM 0 H ALA A 41 3.162 17.134 2.681 1.00 41.12 H new ATOM 0 HA ALA A 41 5.604 17.403 3.937 1.00 14.22 H new ATOM 0 HB1 ALA A 41 5.415 14.929 4.242 1.00 1.33 H new ATOM 0 HB2 ALA A 41 3.867 15.756 4.535 1.00 1.33 H new ATOM 0 HB3 ALA A 41 4.138 14.893 3.002 1.00 1.33 H new ATOM 647 N LYS A 42 7.426 17.140 2.336 1.00 41.31 N ATOM 648 CA LYS A 42 8.633 16.879 1.552 1.00 22.52 C ATOM 649 C LYS A 42 9.468 15.758 2.194 1.00 54.15 C ATOM 650 O LYS A 42 9.844 15.841 3.365 1.00 1.44 O ATOM 651 CB LYS A 42 9.468 18.165 1.439 1.00 61.02 C ATOM 652 CG LYS A 42 10.747 18.020 0.611 1.00 54.30 C ATOM 653 CD LYS A 42 10.462 17.623 -0.839 1.00 64.52 C ATOM 654 CE LYS A 42 9.539 18.618 -1.537 1.00 73.43 C ATOM 655 NZ LYS A 42 10.081 20.005 -1.524 1.00 70.51 N ATOM 0 H LYS A 42 7.519 17.912 2.997 1.00 41.31 H new ATOM 0 HA LYS A 42 8.337 16.555 0.554 1.00 22.52 H new ATOM 0 HB2 LYS A 42 8.850 18.947 0.997 1.00 61.02 H new ATOM 0 HB3 LYS A 42 9.735 18.499 2.442 1.00 61.02 H new ATOM 0 HG2 LYS A 42 11.295 18.962 0.626 1.00 54.30 H new ATOM 0 HG3 LYS A 42 11.391 17.270 1.070 1.00 54.30 H new ATOM 0 HD2 LYS A 42 11.402 17.555 -1.387 1.00 64.52 H new ATOM 0 HD3 LYS A 42 10.008 16.632 -0.860 1.00 64.52 H new ATOM 0 HE2 LYS A 42 9.383 18.302 -2.568 1.00 73.43 H new ATOM 0 HE3 LYS A 42 8.564 18.608 -1.050 1.00 73.43 H new ATOM 0 HZ1 LYS A 42 9.479 20.618 -2.110 1.00 70.51 H new ATOM 0 HZ2 LYS A 42 10.094 20.363 -0.548 1.00 70.51 H new ATOM 0 HZ3 LYS A 42 11.049 20.003 -1.905 1.00 70.51 H new ATOM 669 N VAL A 43 9.744 14.709 1.423 1.00 52.31 N ATOM 670 CA VAL A 43 10.508 13.559 1.924 1.00 33.51 C ATOM 671 C VAL A 43 12.011 13.879 2.042 1.00 64.01 C ATOM 672 O VAL A 43 12.651 14.306 1.077 1.00 3.34 O ATOM 673 CB VAL A 43 10.319 12.314 1.014 1.00 73.04 C ATOM 674 CG1 VAL A 43 11.095 11.109 1.552 1.00 44.21 C ATOM 675 CG2 VAL A 43 8.834 11.978 0.863 1.00 34.35 C ATOM 0 H VAL A 43 9.452 14.627 0.449 1.00 52.31 H new ATOM 0 HA VAL A 43 10.118 13.338 2.918 1.00 33.51 H new ATOM 0 HB VAL A 43 10.721 12.555 0.030 1.00 73.04 H new ATOM 0 HG11 VAL A 43 10.942 10.254 0.893 1.00 44.21 H new ATOM 0 HG12 VAL A 43 12.157 11.350 1.594 1.00 44.21 H new ATOM 0 HG13 VAL A 43 10.739 10.864 2.553 1.00 44.21 H new ATOM 0 HG21 VAL A 43 8.722 11.103 0.222 1.00 34.35 H new ATOM 0 HG22 VAL A 43 8.407 11.767 1.843 1.00 34.35 H new ATOM 0 HG23 VAL A 43 8.313 12.824 0.416 1.00 34.35 H new ATOM 685 N VAL A 44 12.565 13.674 3.233 1.00 2.33 N ATOM 686 CA VAL A 44 13.997 13.876 3.478 1.00 52.31 C ATOM 687 C VAL A 44 14.762 12.539 3.434 1.00 31.34 C ATOM 688 O VAL A 44 14.191 11.475 3.682 1.00 75.55 O ATOM 689 CB VAL A 44 14.241 14.569 4.843 1.00 33.40 C ATOM 690 CG1 VAL A 44 13.589 15.951 4.873 1.00 25.34 C ATOM 691 CG2 VAL A 44 13.727 13.703 5.993 1.00 25.42 C ATOM 0 H VAL A 44 12.042 13.365 4.053 1.00 2.33 H new ATOM 0 HA VAL A 44 14.371 14.523 2.684 1.00 52.31 H new ATOM 0 HB VAL A 44 15.316 14.697 4.970 1.00 33.40 H new ATOM 0 HG11 VAL A 44 13.773 16.419 5.840 1.00 25.34 H new ATOM 0 HG12 VAL A 44 14.014 16.571 4.083 1.00 25.34 H new ATOM 0 HG13 VAL A 44 12.515 15.850 4.717 1.00 25.34 H new ATOM 0 HG21 VAL A 44 13.909 14.210 6.940 1.00 25.42 H new ATOM 0 HG22 VAL A 44 12.657 13.535 5.872 1.00 25.42 H new ATOM 0 HG23 VAL A 44 14.248 12.745 5.988 1.00 25.42 H new ATOM 701 N ASN A 45 16.054 12.596 3.114 1.00 44.11 N ATOM 702 CA ASN A 45 16.880 11.383 3.007 1.00 64.12 C ATOM 703 C ASN A 45 17.499 10.992 4.365 1.00 45.24 C ATOM 704 O ASN A 45 18.097 9.928 4.502 1.00 3.12 O ATOM 705 CB ASN A 45 17.983 11.601 1.960 1.00 23.21 C ATOM 706 CG ASN A 45 18.738 10.326 1.618 1.00 11.24 C ATOM 707 OD1 ASN A 45 18.359 9.591 0.713 1.00 21.32 O ATOM 708 ND2 ASN A 45 19.812 10.055 2.333 1.00 14.44 N ATOM 0 H ASN A 45 16.555 13.464 2.924 1.00 44.11 H new ATOM 0 HA ASN A 45 16.237 10.561 2.694 1.00 64.12 H new ATOM 0 HB2 ASN A 45 17.539 12.008 1.052 1.00 23.21 H new ATOM 0 HB3 ASN A 45 18.687 12.345 2.332 1.00 23.21 H new ATOM 0 HD21 ASN A 45 20.354 9.213 2.140 1.00 14.44 H new ATOM 0 HD22 ASN A 45 20.101 10.687 3.079 1.00 14.44 H new ATOM 715 N LYS A 46 17.342 11.850 5.371 1.00 64.35 N ATOM 716 CA LYS A 46 17.921 11.596 6.699 1.00 54.25 C ATOM 717 C LYS A 46 16.971 12.046 7.824 1.00 70.44 C ATOM 718 O LYS A 46 16.340 13.099 7.737 1.00 24.44 O ATOM 719 CB LYS A 46 19.291 12.292 6.836 1.00 64.23 C ATOM 720 CG LYS A 46 19.254 13.822 6.801 1.00 34.44 C ATOM 721 CD LYS A 46 18.925 14.384 5.421 1.00 62.24 C ATOM 722 CE LYS A 46 18.967 15.908 5.413 1.00 2.30 C ATOM 723 NZ LYS A 46 20.326 16.438 5.713 1.00 10.22 N ATOM 0 H LYS A 46 16.822 12.725 5.298 1.00 64.35 H new ATOM 0 HA LYS A 46 18.065 10.520 6.797 1.00 54.25 H new ATOM 0 HB2 LYS A 46 19.748 11.977 7.774 1.00 64.23 H new ATOM 0 HB3 LYS A 46 19.940 11.942 6.033 1.00 64.23 H new ATOM 0 HG2 LYS A 46 18.513 14.178 7.517 1.00 34.44 H new ATOM 0 HG3 LYS A 46 20.220 14.210 7.123 1.00 34.44 H new ATOM 0 HD2 LYS A 46 19.635 13.996 4.690 1.00 62.24 H new ATOM 0 HD3 LYS A 46 17.935 14.045 5.115 1.00 62.24 H new ATOM 0 HE2 LYS A 46 18.644 16.273 4.438 1.00 2.30 H new ATOM 0 HE3 LYS A 46 18.259 16.293 6.147 1.00 2.30 H new ATOM 0 HZ1 LYS A 46 20.421 17.394 5.315 1.00 10.22 H new ATOM 0 HZ2 LYS A 46 20.464 16.477 6.743 1.00 10.22 H new ATOM 0 HZ3 LYS A 46 21.043 15.814 5.291 1.00 10.22 H new ATOM 737 N ALA A 47 16.886 11.248 8.891 1.00 2.31 N ATOM 738 CA ALA A 47 15.921 11.493 9.977 1.00 73.43 C ATOM 739 C ALA A 47 16.354 12.622 10.935 1.00 31.12 C ATOM 740 O ALA A 47 15.583 13.031 11.807 1.00 10.34 O ATOM 741 CB ALA A 47 15.685 10.204 10.755 1.00 14.40 C ATOM 0 H ALA A 47 17.472 10.425 9.030 1.00 2.31 H new ATOM 0 HA ALA A 47 14.994 11.826 9.509 1.00 73.43 H new ATOM 0 HB1 ALA A 47 14.971 10.389 11.557 1.00 14.40 H new ATOM 0 HB2 ALA A 47 15.288 9.442 10.084 1.00 14.40 H new ATOM 0 HB3 ALA A 47 16.627 9.858 11.180 1.00 14.40 H new ATOM 747 N GLU A 48 17.582 13.121 10.775 1.00 20.23 N ATOM 748 CA GLU A 48 18.095 14.206 11.632 1.00 72.25 C ATOM 749 C GLU A 48 17.190 15.452 11.574 1.00 72.54 C ATOM 750 O GLU A 48 17.059 16.183 12.557 1.00 24.44 O ATOM 751 CB GLU A 48 19.527 14.586 11.226 1.00 51.32 C ATOM 752 CG GLU A 48 19.621 15.227 9.845 1.00 1.21 C ATOM 753 CD GLU A 48 21.044 15.549 9.403 1.00 2.20 C ATOM 754 OE1 GLU A 48 22.000 15.226 10.138 1.00 44.32 O ATOM 755 OE2 GLU A 48 21.206 16.124 8.305 1.00 34.44 O ATOM 0 H GLU A 48 18.240 12.797 10.066 1.00 20.23 H new ATOM 0 HA GLU A 48 18.098 13.834 12.657 1.00 72.25 H new ATOM 0 HB2 GLU A 48 19.935 15.275 11.966 1.00 51.32 H new ATOM 0 HB3 GLU A 48 20.150 13.692 11.246 1.00 51.32 H new ATOM 0 HG2 GLU A 48 19.168 14.557 9.114 1.00 1.21 H new ATOM 0 HG3 GLU A 48 19.035 16.146 9.842 1.00 1.21 H new ATOM 762 N LYS A 49 16.566 15.693 10.421 1.00 1.12 N ATOM 763 CA LYS A 49 15.660 16.833 10.261 1.00 62.31 C ATOM 764 C LYS A 49 14.379 16.425 9.517 1.00 75.04 C ATOM 765 O LYS A 49 14.322 16.453 8.287 1.00 44.34 O ATOM 766 CB LYS A 49 16.365 17.986 9.528 1.00 42.21 C ATOM 767 CG LYS A 49 15.542 19.273 9.474 1.00 2.15 C ATOM 768 CD LYS A 49 16.294 20.408 8.782 1.00 3.02 C ATOM 769 CE LYS A 49 16.575 20.091 7.320 1.00 21.35 C ATOM 770 NZ LYS A 49 17.374 21.160 6.667 1.00 62.40 N ATOM 0 H LYS A 49 16.670 15.117 9.586 1.00 1.12 H new ATOM 0 HA LYS A 49 15.376 17.176 11.256 1.00 62.31 H new ATOM 0 HB2 LYS A 49 17.314 18.193 10.022 1.00 42.21 H new ATOM 0 HB3 LYS A 49 16.597 17.670 8.511 1.00 42.21 H new ATOM 0 HG2 LYS A 49 14.608 19.083 8.946 1.00 2.15 H new ATOM 0 HG3 LYS A 49 15.279 19.578 10.487 1.00 2.15 H new ATOM 0 HD2 LYS A 49 15.709 21.325 8.849 1.00 3.02 H new ATOM 0 HD3 LYS A 49 17.235 20.591 9.302 1.00 3.02 H new ATOM 0 HE2 LYS A 49 17.109 19.144 7.250 1.00 21.35 H new ATOM 0 HE3 LYS A 49 15.632 19.965 6.788 1.00 21.35 H new ATOM 0 HZ1 LYS A 49 17.545 20.908 5.673 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 16.853 22.059 6.712 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 18.284 21.263 7.159 1.00 62.40 H new ATOM 784 N SER A 50 13.373 16.023 10.283 1.00 63.32 N ATOM 785 CA SER A 50 12.061 15.644 9.742 1.00 64.45 C ATOM 786 C SER A 50 10.975 15.871 10.788 1.00 55.32 C ATOM 787 O SER A 50 11.257 15.892 11.987 1.00 23.30 O ATOM 788 CB SER A 50 12.042 14.173 9.301 1.00 53.42 C ATOM 789 OG SER A 50 10.748 13.785 8.858 1.00 51.40 O ATOM 0 H SER A 50 13.437 15.948 11.298 1.00 63.32 H new ATOM 0 HA SER A 50 11.869 16.270 8.870 1.00 64.45 H new ATOM 0 HB2 SER A 50 12.764 14.022 8.499 1.00 53.42 H new ATOM 0 HB3 SER A 50 12.350 13.538 10.131 1.00 53.42 H new ATOM 0 HG SER A 50 10.466 12.978 9.338 1.00 51.40 H new ATOM 795 N GLU A 51 9.737 16.048 10.347 1.00 4.13 N ATOM 796 CA GLU A 51 8.631 16.303 11.275 1.00 10.21 C ATOM 797 C GLU A 51 7.908 14.997 11.638 1.00 32.54 C ATOM 798 O GLU A 51 7.362 14.855 12.735 1.00 11.15 O ATOM 799 CB GLU A 51 7.642 17.313 10.671 1.00 21.33 C ATOM 800 CG GLU A 51 8.301 18.526 10.010 1.00 53.22 C ATOM 801 CD GLU A 51 9.346 19.210 10.885 1.00 14.41 C ATOM 802 OE1 GLU A 51 8.964 19.920 11.840 1.00 34.30 O ATOM 803 OE2 GLU A 51 10.556 19.043 10.619 1.00 63.32 O ATOM 0 H GLU A 51 9.469 16.021 9.363 1.00 4.13 H new ATOM 0 HA GLU A 51 9.047 16.728 12.189 1.00 10.21 H new ATOM 0 HB2 GLU A 51 7.026 16.802 9.931 1.00 21.33 H new ATOM 0 HB3 GLU A 51 6.973 17.662 11.457 1.00 21.33 H new ATOM 0 HG2 GLU A 51 8.771 18.210 9.078 1.00 53.22 H new ATOM 0 HG3 GLU A 51 7.529 19.250 9.748 1.00 53.22 H new ATOM 810 N ALA A 52 7.917 14.041 10.712 1.00 61.51 N ATOM 811 CA ALA A 52 7.302 12.727 10.935 1.00 15.32 C ATOM 812 C ALA A 52 8.109 11.611 10.252 1.00 64.22 C ATOM 813 O ALA A 52 8.710 11.824 9.199 1.00 54.44 O ATOM 814 CB ALA A 52 5.862 12.725 10.430 1.00 24.45 C ATOM 0 H ALA A 52 8.346 14.149 9.793 1.00 61.51 H new ATOM 0 HA ALA A 52 7.302 12.533 12.008 1.00 15.32 H new ATOM 0 HB1 ALA A 52 5.418 11.745 10.601 1.00 24.45 H new ATOM 0 HB2 ALA A 52 5.288 13.482 10.964 1.00 24.45 H new ATOM 0 HB3 ALA A 52 5.850 12.947 9.363 1.00 24.45 H new ATOM 820 N ILE A 53 8.124 10.425 10.856 1.00 61.43 N ATOM 821 CA ILE A 53 8.842 9.271 10.294 1.00 70.51 C ATOM 822 C ILE A 53 7.898 8.079 10.096 1.00 23.44 C ATOM 823 O ILE A 53 7.281 7.599 11.043 1.00 13.20 O ATOM 824 CB ILE A 53 10.025 8.839 11.204 1.00 53.53 C ATOM 825 CG1 ILE A 53 11.055 9.975 11.311 1.00 13.14 C ATOM 826 CG2 ILE A 53 10.680 7.559 10.677 1.00 51.12 C ATOM 827 CD1 ILE A 53 12.292 9.619 12.109 1.00 41.13 C ATOM 0 H ILE A 53 7.647 10.232 11.737 1.00 61.43 H new ATOM 0 HA ILE A 53 9.237 9.583 9.327 1.00 70.51 H new ATOM 0 HB ILE A 53 9.635 8.629 12.200 1.00 53.53 H new ATOM 0 HG12 ILE A 53 11.357 10.272 10.307 1.00 13.14 H new ATOM 0 HG13 ILE A 53 10.578 10.841 11.769 1.00 13.14 H new ATOM 0 HG21 ILE A 53 11.505 7.277 11.331 1.00 51.12 H new ATOM 0 HG22 ILE A 53 9.943 6.756 10.655 1.00 51.12 H new ATOM 0 HG23 ILE A 53 11.058 7.732 9.669 1.00 51.12 H new ATOM 0 HD11 ILE A 53 12.967 10.475 12.136 1.00 41.13 H new ATOM 0 HD12 ILE A 53 12.005 9.352 13.126 1.00 41.13 H new ATOM 0 HD13 ILE A 53 12.796 8.774 11.641 1.00 41.13 H new ATOM 839 N ILE A 54 7.792 7.600 8.859 1.00 3.12 N ATOM 840 CA ILE A 54 6.914 6.471 8.533 1.00 11.32 C ATOM 841 C ILE A 54 7.709 5.155 8.464 1.00 74.25 C ATOM 842 O ILE A 54 8.529 4.952 7.559 1.00 54.03 O ATOM 843 CB ILE A 54 6.162 6.683 7.183 1.00 15.03 C ATOM 844 CG1 ILE A 54 5.225 7.911 7.248 1.00 41.41 C ATOM 845 CG2 ILE A 54 5.368 5.430 6.807 1.00 73.00 C ATOM 846 CD1 ILE A 54 5.936 9.250 7.264 1.00 41.15 C ATOM 0 H ILE A 54 8.304 7.975 8.061 1.00 3.12 H new ATOM 0 HA ILE A 54 6.177 6.412 9.334 1.00 11.32 H new ATOM 0 HB ILE A 54 6.910 6.870 6.413 1.00 15.03 H new ATOM 0 HG12 ILE A 54 4.551 7.883 6.391 1.00 41.41 H new ATOM 0 HG13 ILE A 54 4.607 7.832 8.142 1.00 41.41 H new ATOM 0 HG21 ILE A 54 4.850 5.597 5.863 1.00 73.00 H new ATOM 0 HG22 ILE A 54 6.049 4.585 6.703 1.00 73.00 H new ATOM 0 HG23 ILE A 54 4.638 5.214 7.587 1.00 73.00 H new ATOM 0 HD11 ILE A 54 5.200 10.052 7.310 1.00 41.15 H new ATOM 0 HD12 ILE A 54 6.588 9.305 8.136 1.00 41.15 H new ATOM 0 HD13 ILE A 54 6.532 9.356 6.358 1.00 41.15 H new ATOM 858 N GLN A 55 7.473 4.274 9.433 1.00 20.33 N ATOM 859 CA GLN A 55 8.108 2.949 9.456 1.00 73.41 C ATOM 860 C GLN A 55 7.119 1.887 8.962 1.00 25.25 C ATOM 861 O GLN A 55 6.136 1.580 9.639 1.00 61.04 O ATOM 862 CB GLN A 55 8.604 2.619 10.882 1.00 62.32 C ATOM 863 CG GLN A 55 9.526 1.396 10.975 1.00 43.25 C ATOM 864 CD GLN A 55 8.791 0.062 11.015 1.00 12.31 C ATOM 865 OE1 GLN A 55 7.682 -0.043 11.534 1.00 32.13 O ATOM 866 NE2 GLN A 55 9.409 -0.972 10.479 1.00 5.13 N ATOM 0 H GLN A 55 6.845 4.450 10.217 1.00 20.33 H new ATOM 0 HA GLN A 55 8.970 2.954 8.789 1.00 73.41 H new ATOM 0 HB2 GLN A 55 9.133 3.486 11.277 1.00 62.32 H new ATOM 0 HB3 GLN A 55 7.738 2.454 11.524 1.00 62.32 H new ATOM 0 HG2 GLN A 55 10.203 1.400 10.121 1.00 43.25 H new ATOM 0 HG3 GLN A 55 10.141 1.486 11.870 1.00 43.25 H new ATOM 0 HE21 GLN A 55 10.329 -0.853 10.056 1.00 5.13 H new ATOM 0 HE22 GLN A 55 8.967 -1.891 10.488 1.00 5.13 H new ATOM 875 N ILE A 56 7.363 1.349 7.768 1.00 51.14 N ATOM 876 CA ILE A 56 6.482 0.325 7.198 1.00 34.41 C ATOM 877 C ILE A 56 6.883 -1.072 7.713 1.00 34.24 C ATOM 878 O ILE A 56 7.966 -1.575 7.428 1.00 3.15 O ATOM 879 CB ILE A 56 6.470 0.405 5.635 1.00 1.20 C ATOM 880 CG1 ILE A 56 5.366 -0.487 5.016 1.00 10.34 C ATOM 881 CG2 ILE A 56 7.837 0.065 5.046 1.00 3.53 C ATOM 882 CD1 ILE A 56 5.705 -1.961 4.923 1.00 10.23 C ATOM 0 H ILE A 56 8.156 1.601 7.179 1.00 51.14 H new ATOM 0 HA ILE A 56 5.460 0.512 7.528 1.00 34.41 H new ATOM 0 HB ILE A 56 6.239 1.438 5.376 1.00 1.20 H new ATOM 0 HG12 ILE A 56 4.457 -0.376 5.608 1.00 10.34 H new ATOM 0 HG13 ILE A 56 5.142 -0.118 4.015 1.00 10.34 H new ATOM 0 HG21 ILE A 56 7.791 0.131 3.959 1.00 3.53 H new ATOM 0 HG22 ILE A 56 8.580 0.769 5.421 1.00 3.53 H new ATOM 0 HG23 ILE A 56 8.117 -0.948 5.337 1.00 3.53 H new ATOM 0 HD11 ILE A 56 4.869 -2.499 4.476 1.00 10.23 H new ATOM 0 HD12 ILE A 56 6.593 -2.092 4.304 1.00 10.23 H new ATOM 0 HD13 ILE A 56 5.898 -2.354 5.921 1.00 10.23 H new ATOM 894 N VAL A 57 5.995 -1.682 8.492 1.00 10.21 N ATOM 895 CA VAL A 57 6.285 -2.944 9.182 1.00 60.00 C ATOM 896 C VAL A 57 6.384 -4.131 8.209 1.00 51.23 C ATOM 897 O VAL A 57 7.351 -4.891 8.239 1.00 24.14 O ATOM 898 CB VAL A 57 5.206 -3.239 10.255 1.00 34.04 C ATOM 899 CG1 VAL A 57 5.536 -4.507 11.034 1.00 3.12 C ATOM 900 CG2 VAL A 57 5.049 -2.052 11.202 1.00 22.33 C ATOM 0 H VAL A 57 5.057 -1.321 8.665 1.00 10.21 H new ATOM 0 HA VAL A 57 7.256 -2.825 9.663 1.00 60.00 H new ATOM 0 HB VAL A 57 4.258 -3.398 9.741 1.00 34.04 H new ATOM 0 HG11 VAL A 57 4.761 -4.688 11.779 1.00 3.12 H new ATOM 0 HG12 VAL A 57 5.585 -5.353 10.348 1.00 3.12 H new ATOM 0 HG13 VAL A 57 6.498 -4.388 11.532 1.00 3.12 H new ATOM 0 HG21 VAL A 57 4.287 -2.280 11.947 1.00 22.33 H new ATOM 0 HG22 VAL A 57 5.998 -1.857 11.701 1.00 22.33 H new ATOM 0 HG23 VAL A 57 4.750 -1.171 10.634 1.00 22.33 H new ATOM 910 N HIS A 58 5.375 -4.290 7.351 1.00 34.51 N ATOM 911 CA HIS A 58 5.364 -5.384 6.370 1.00 42.10 C ATOM 912 C HIS A 58 4.283 -5.180 5.297 1.00 30.42 C ATOM 913 O HIS A 58 3.190 -4.686 5.588 1.00 31.33 O ATOM 914 CB HIS A 58 5.166 -6.745 7.066 1.00 51.33 C ATOM 915 CG HIS A 58 3.896 -6.861 7.869 1.00 73.54 C ATOM 916 ND1 HIS A 58 3.874 -6.879 9.248 1.00 11.32 N ATOM 917 CD2 HIS A 58 2.602 -6.983 7.481 1.00 65.22 C ATOM 918 CE1 HIS A 58 2.632 -7.007 9.670 1.00 3.42 C ATOM 919 NE2 HIS A 58 1.839 -7.071 8.619 1.00 74.33 N ATOM 0 H HIS A 58 4.558 -3.681 7.313 1.00 34.51 H new ATOM 0 HA HIS A 58 6.335 -5.377 5.874 1.00 42.10 H new ATOM 0 HB2 HIS A 58 5.175 -7.530 6.309 1.00 51.33 H new ATOM 0 HB3 HIS A 58 6.015 -6.928 7.725 1.00 51.33 H new ATOM 0 HD2 HIS A 58 2.239 -7.007 6.464 1.00 65.22 H new ATOM 0 HE1 HIS A 58 2.317 -7.052 10.702 1.00 3.42 H new ATOM 0 HE2 HIS A 58 0.824 -7.170 8.647 1.00 74.33 H new ATOM 928 N ALA A 59 4.600 -5.560 4.060 1.00 41.44 N ATOM 929 CA ALA A 59 3.637 -5.524 2.952 1.00 74.42 C ATOM 930 C ALA A 59 3.371 -6.942 2.415 1.00 23.33 C ATOM 931 O ALA A 59 4.068 -7.428 1.525 1.00 25.32 O ATOM 932 CB ALA A 59 4.143 -4.613 1.838 1.00 35.12 C ATOM 0 H ALA A 59 5.524 -5.900 3.795 1.00 41.44 H new ATOM 0 HA ALA A 59 2.696 -5.122 3.327 1.00 74.42 H new ATOM 0 HB1 ALA A 59 3.418 -4.597 1.024 1.00 35.12 H new ATOM 0 HB2 ALA A 59 4.276 -3.603 2.226 1.00 35.12 H new ATOM 0 HB3 ALA A 59 5.097 -4.987 1.467 1.00 35.12 H new ATOM 938 N ILE A 60 2.364 -7.607 2.979 1.00 31.51 N ATOM 939 CA ILE A 60 2.051 -8.998 2.621 1.00 21.24 C ATOM 940 C ILE A 60 1.140 -9.076 1.383 1.00 24.13 C ATOM 941 O ILE A 60 -0.052 -8.786 1.456 1.00 42.43 O ATOM 942 CB ILE A 60 1.374 -9.744 3.803 1.00 41.41 C ATOM 943 CG1 ILE A 60 2.272 -9.698 5.055 1.00 72.30 C ATOM 944 CG2 ILE A 60 1.055 -11.190 3.419 1.00 22.44 C ATOM 945 CD1 ILE A 60 3.622 -10.364 4.870 1.00 2.53 C ATOM 0 H ILE A 60 1.748 -7.208 3.687 1.00 31.51 H new ATOM 0 HA ILE A 60 3.000 -9.481 2.388 1.00 21.24 H new ATOM 0 HB ILE A 60 0.436 -9.240 4.035 1.00 41.41 H new ATOM 0 HG12 ILE A 60 2.428 -8.657 5.340 1.00 72.30 H new ATOM 0 HG13 ILE A 60 1.750 -10.180 5.882 1.00 72.30 H new ATOM 0 HG21 ILE A 60 0.581 -11.694 4.261 1.00 22.44 H new ATOM 0 HG22 ILE A 60 0.379 -11.199 2.564 1.00 22.44 H new ATOM 0 HG23 ILE A 60 1.977 -11.709 3.158 1.00 22.44 H new ATOM 0 HD11 ILE A 60 4.194 -10.290 5.795 1.00 2.53 H new ATOM 0 HD12 ILE A 60 3.478 -11.414 4.616 1.00 2.53 H new ATOM 0 HD13 ILE A 60 4.165 -9.868 4.066 1.00 2.53 H new ATOM 957 N ARG A 61 1.718 -9.458 0.248 1.00 73.44 N ATOM 958 CA ARG A 61 0.964 -9.613 -1.006 1.00 14.34 C ATOM 959 C ARG A 61 0.820 -11.099 -1.384 1.00 3.24 C ATOM 960 O ARG A 61 1.804 -11.778 -1.699 1.00 54.10 O ATOM 961 CB ARG A 61 1.655 -8.817 -2.130 1.00 63.44 C ATOM 962 CG ARG A 61 3.130 -9.165 -2.321 1.00 31.02 C ATOM 963 CD ARG A 61 3.816 -8.230 -3.310 1.00 32.20 C ATOM 964 NE ARG A 61 5.210 -8.608 -3.542 1.00 34.43 N ATOM 965 CZ ARG A 61 6.126 -7.797 -3.999 1.00 3.35 C ATOM 966 NH1 ARG A 61 5.860 -6.544 -4.207 1.00 33.13 N ATOM 967 NH2 ARG A 61 7.318 -8.240 -4.231 1.00 11.44 N ATOM 0 H ARG A 61 2.712 -9.669 0.164 1.00 73.44 H new ATOM 0 HA ARG A 61 -0.041 -9.216 -0.864 1.00 14.34 H new ATOM 0 HB2 ARG A 61 1.126 -8.996 -3.066 1.00 63.44 H new ATOM 0 HB3 ARG A 61 1.569 -7.752 -1.913 1.00 63.44 H new ATOM 0 HG2 ARG A 61 3.642 -9.114 -1.360 1.00 31.02 H new ATOM 0 HG3 ARG A 61 3.217 -10.193 -2.674 1.00 31.02 H new ATOM 0 HD2 ARG A 61 3.275 -8.242 -4.256 1.00 32.20 H new ATOM 0 HD3 ARG A 61 3.775 -7.208 -2.932 1.00 32.20 H new ATOM 0 HE ARG A 61 5.485 -9.568 -3.333 1.00 34.43 H new ATOM 0 HH11 ARG A 61 4.926 -6.182 -4.013 1.00 33.13 H new ATOM 0 HH12 ARG A 61 6.585 -5.921 -4.564 1.00 33.13 H new ATOM 0 HH21 ARG A 61 7.541 -9.220 -4.057 1.00 11.44 H new ATOM 0 HH22 ARG A 61 8.036 -7.609 -4.588 1.00 11.44 H new ATOM 981 N GLU A 62 -0.414 -11.605 -1.348 1.00 5.32 N ATOM 982 CA GLU A 62 -0.678 -13.027 -1.610 1.00 70.34 C ATOM 983 C GLU A 62 -2.023 -13.241 -2.328 1.00 33.51 C ATOM 984 O GLU A 62 -3.015 -12.566 -2.043 1.00 11.24 O ATOM 985 CB GLU A 62 -0.638 -13.809 -0.286 1.00 21.45 C ATOM 986 CG GLU A 62 -1.589 -13.265 0.779 1.00 5.13 C ATOM 987 CD GLU A 62 -1.452 -13.947 2.133 1.00 73.30 C ATOM 988 OE1 GLU A 62 -0.704 -14.943 2.238 1.00 35.53 O ATOM 989 OE2 GLU A 62 -2.104 -13.488 3.098 1.00 52.32 O ATOM 0 H GLU A 62 -1.247 -11.055 -1.141 1.00 5.32 H new ATOM 0 HA GLU A 62 0.100 -13.400 -2.277 1.00 70.34 H new ATOM 0 HB2 GLU A 62 -0.886 -14.852 -0.483 1.00 21.45 H new ATOM 0 HB3 GLU A 62 0.379 -13.792 0.105 1.00 21.45 H new ATOM 0 HG2 GLU A 62 -1.410 -12.197 0.901 1.00 5.13 H new ATOM 0 HG3 GLU A 62 -2.615 -13.378 0.428 1.00 5.13 H new ATOM 996 N LYS A 63 -2.048 -14.190 -3.266 1.00 70.15 N ATOM 997 CA LYS A 63 -3.254 -14.472 -4.051 1.00 74.00 C ATOM 998 C LYS A 63 -3.960 -15.758 -3.578 1.00 11.41 C ATOM 999 O LYS A 63 -3.486 -16.871 -3.823 1.00 14.34 O ATOM 1000 CB LYS A 63 -2.906 -14.588 -5.544 1.00 50.11 C ATOM 1001 CG LYS A 63 -2.198 -13.361 -6.121 1.00 65.44 C ATOM 1002 CD LYS A 63 -2.152 -13.389 -7.655 1.00 4.25 C ATOM 1003 CE LYS A 63 -1.471 -14.643 -8.193 1.00 64.24 C ATOM 1004 NZ LYS A 63 -1.475 -14.691 -9.683 1.00 43.12 N ATOM 0 H LYS A 63 -1.248 -14.777 -3.501 1.00 70.15 H new ATOM 0 HA LYS A 63 -3.940 -13.639 -3.901 1.00 74.00 H new ATOM 0 HB2 LYS A 63 -2.271 -15.462 -5.691 1.00 50.11 H new ATOM 0 HB3 LYS A 63 -3.823 -14.762 -6.107 1.00 50.11 H new ATOM 0 HG2 LYS A 63 -2.711 -12.458 -5.791 1.00 65.44 H new ATOM 0 HG3 LYS A 63 -1.182 -13.312 -5.729 1.00 65.44 H new ATOM 0 HD2 LYS A 63 -3.167 -13.333 -8.047 1.00 4.25 H new ATOM 0 HD3 LYS A 63 -1.622 -12.508 -8.016 1.00 4.25 H new ATOM 0 HE2 LYS A 63 -0.443 -14.679 -7.833 1.00 64.24 H new ATOM 0 HE3 LYS A 63 -1.977 -15.526 -7.801 1.00 64.24 H new ATOM 0 HZ1 LYS A 63 -1.207 -15.645 -10.000 1.00 43.12 H new ATOM 0 HZ2 LYS A 63 -2.427 -14.463 -10.035 1.00 43.12 H new ATOM 0 HZ3 LYS A 63 -0.794 -13.999 -10.054 1.00 43.12 H new ATOM 1018 N ARG A 64 -5.093 -15.586 -2.897 1.00 1.24 N ATOM 1019 CA ARG A 64 -5.939 -16.706 -2.451 1.00 43.15 C ATOM 1020 C ARG A 64 -6.984 -17.083 -3.517 1.00 5.32 C ATOM 1021 O ARG A 64 -7.039 -16.490 -4.594 1.00 2.44 O ATOM 1022 CB ARG A 64 -6.667 -16.334 -1.149 1.00 55.34 C ATOM 1023 CG ARG A 64 -5.782 -16.320 0.093 1.00 3.32 C ATOM 1024 CD ARG A 64 -6.559 -15.863 1.328 1.00 53.30 C ATOM 1025 NE ARG A 64 -5.852 -16.166 2.572 1.00 21.54 N ATOM 1026 CZ ARG A 64 -4.958 -15.397 3.125 1.00 4.34 C ATOM 1027 NH1 ARG A 64 -4.632 -14.273 2.579 1.00 22.24 N ATOM 1028 NH2 ARG A 64 -4.401 -15.756 4.233 1.00 23.33 N ATOM 0 H ARG A 64 -5.455 -14.669 -2.636 1.00 1.24 H new ATOM 0 HA ARG A 64 -5.286 -17.562 -2.283 1.00 43.15 H new ATOM 0 HB2 ARG A 64 -7.117 -15.349 -1.269 1.00 55.34 H new ATOM 0 HB3 ARG A 64 -7.482 -17.040 -0.990 1.00 55.34 H new ATOM 0 HG2 ARG A 64 -5.378 -17.318 0.264 1.00 3.32 H new ATOM 0 HG3 ARG A 64 -4.933 -15.656 -0.071 1.00 3.32 H new ATOM 0 HD2 ARG A 64 -6.737 -14.789 1.266 1.00 53.30 H new ATOM 0 HD3 ARG A 64 -7.535 -16.348 1.340 1.00 53.30 H new ATOM 0 HE ARG A 64 -6.075 -17.044 3.041 1.00 21.54 H new ATOM 0 HH11 ARG A 64 -5.076 -13.981 1.708 1.00 22.24 H new ATOM 0 HH12 ARG A 64 -3.931 -13.677 3.019 1.00 22.24 H new ATOM 0 HH21 ARG A 64 -4.661 -16.639 4.672 1.00 23.33 H new ATOM 0 HH22 ARG A 64 -3.700 -15.157 4.669 1.00 23.33 H new ATOM 1042 N ILE A 65 -7.818 -18.074 -3.206 1.00 70.02 N ATOM 1043 CA ILE A 65 -8.940 -18.447 -4.076 1.00 71.32 C ATOM 1044 C ILE A 65 -10.275 -18.117 -3.373 1.00 71.42 C ATOM 1045 O ILE A 65 -10.471 -18.444 -2.204 1.00 41.02 O ATOM 1046 CB ILE A 65 -8.857 -19.959 -4.474 1.00 41.45 C ATOM 1047 CG1 ILE A 65 -9.607 -20.245 -5.796 1.00 71.33 C ATOM 1048 CG2 ILE A 65 -9.374 -20.866 -3.354 1.00 71.13 C ATOM 1049 CD1 ILE A 65 -11.117 -20.154 -5.714 1.00 13.50 C ATOM 0 H ILE A 65 -7.741 -18.635 -2.358 1.00 70.02 H new ATOM 0 HA ILE A 65 -8.885 -17.868 -4.998 1.00 71.32 H new ATOM 0 HB ILE A 65 -7.803 -20.186 -4.632 1.00 41.45 H new ATOM 0 HG12 ILE A 65 -9.257 -19.543 -6.553 1.00 71.33 H new ATOM 0 HG13 ILE A 65 -9.337 -21.244 -6.139 1.00 71.33 H new ATOM 0 HG21 ILE A 65 -9.301 -21.908 -3.666 1.00 71.13 H new ATOM 0 HG22 ILE A 65 -8.775 -20.713 -2.456 1.00 71.13 H new ATOM 0 HG23 ILE A 65 -10.415 -20.623 -3.141 1.00 71.13 H new ATOM 0 HD11 ILE A 65 -11.548 -20.371 -6.691 1.00 13.50 H new ATOM 0 HD12 ILE A 65 -11.486 -20.876 -4.986 1.00 13.50 H new ATOM 0 HD13 ILE A 65 -11.405 -19.149 -5.406 1.00 13.50 H new ATOM 1061 N LEU A 66 -11.183 -17.443 -4.080 1.00 33.03 N ATOM 1062 CA LEU A 66 -12.450 -16.988 -3.479 1.00 61.31 C ATOM 1063 C LEU A 66 -13.514 -18.100 -3.438 1.00 4.02 C ATOM 1064 O LEU A 66 -14.036 -18.438 -2.372 1.00 63.11 O ATOM 1065 CB LEU A 66 -13.012 -15.785 -4.251 1.00 42.15 C ATOM 1066 CG LEU A 66 -14.315 -15.194 -3.678 1.00 60.21 C ATOM 1067 CD1 LEU A 66 -14.054 -14.520 -2.333 1.00 74.53 C ATOM 1068 CD2 LEU A 66 -14.954 -14.221 -4.668 1.00 51.34 C ATOM 0 H LEU A 66 -11.072 -17.198 -5.064 1.00 33.03 H new ATOM 0 HA LEU A 66 -12.221 -16.700 -2.453 1.00 61.31 H new ATOM 0 HB2 LEU A 66 -12.255 -15.001 -4.274 1.00 42.15 H new ATOM 0 HB3 LEU A 66 -13.191 -16.086 -5.283 1.00 42.15 H new ATOM 0 HG LEU A 66 -15.018 -16.011 -3.515 1.00 60.21 H new ATOM 0 HD11 LEU A 66 -14.986 -14.109 -1.945 1.00 74.53 H new ATOM 0 HD12 LEU A 66 -13.660 -15.253 -1.629 1.00 74.53 H new ATOM 0 HD13 LEU A 66 -13.330 -13.716 -2.463 1.00 74.53 H new ATOM 0 HD21 LEU A 66 -15.872 -13.817 -4.241 1.00 51.34 H new ATOM 0 HD22 LEU A 66 -14.261 -13.405 -4.875 1.00 51.34 H new ATOM 0 HD23 LEU A 66 -15.185 -14.745 -5.595 1.00 51.34 H new ATOM 1080 N SER A 67 -13.849 -18.654 -4.601 1.00 53.43 N ATOM 1081 CA SER A 67 -14.932 -19.647 -4.698 1.00 41.34 C ATOM 1082 C SER A 67 -14.619 -20.735 -5.728 1.00 62.52 C ATOM 1083 O SER A 67 -14.146 -20.445 -6.830 1.00 24.10 O ATOM 1084 CB SER A 67 -16.255 -18.969 -5.082 1.00 0.45 C ATOM 1085 OG SER A 67 -16.605 -17.940 -4.167 1.00 22.03 O ATOM 0 H SER A 67 -13.393 -18.438 -5.488 1.00 53.43 H new ATOM 0 HA SER A 67 -15.022 -20.111 -3.716 1.00 41.34 H new ATOM 0 HB2 SER A 67 -16.171 -18.551 -6.085 1.00 0.45 H new ATOM 0 HB3 SER A 67 -17.050 -19.714 -5.113 1.00 0.45 H new ATOM 0 HG SER A 67 -17.451 -17.530 -4.444 1.00 22.03 H new ATOM 1091 N LEU A 68 -14.891 -21.983 -5.359 1.00 63.23 N ATOM 1092 CA LEU A 68 -14.751 -23.126 -6.268 1.00 51.13 C ATOM 1093 C LEU A 68 -16.127 -23.589 -6.771 1.00 4.31 C ATOM 1094 O LEU A 68 -17.110 -23.550 -6.035 1.00 43.01 O ATOM 1095 CB LEU A 68 -14.044 -24.287 -5.549 1.00 51.20 C ATOM 1096 CG LEU A 68 -12.601 -24.006 -5.092 1.00 50.24 C ATOM 1097 CD1 LEU A 68 -12.042 -25.191 -4.307 1.00 15.10 C ATOM 1098 CD2 LEU A 68 -11.705 -23.684 -6.287 1.00 72.35 C ATOM 0 H LEU A 68 -15.214 -22.235 -4.425 1.00 63.23 H new ATOM 0 HA LEU A 68 -14.153 -22.814 -7.124 1.00 51.13 H new ATOM 0 HB2 LEU A 68 -14.635 -24.564 -4.676 1.00 51.20 H new ATOM 0 HB3 LEU A 68 -14.034 -25.150 -6.214 1.00 51.20 H new ATOM 0 HG LEU A 68 -12.619 -23.137 -4.435 1.00 50.24 H new ATOM 0 HD11 LEU A 68 -11.021 -24.971 -3.994 1.00 15.10 H new ATOM 0 HD12 LEU A 68 -12.661 -25.369 -3.428 1.00 15.10 H new ATOM 0 HD13 LEU A 68 -12.044 -26.079 -4.939 1.00 15.10 H new ATOM 0 HD21 LEU A 68 -10.691 -23.489 -5.939 1.00 72.35 H new ATOM 0 HD22 LEU A 68 -11.697 -24.530 -6.974 1.00 72.35 H new ATOM 0 HD23 LEU A 68 -12.088 -22.803 -6.802 1.00 72.35 H new ATOM 1110 N SER A 69 -16.195 -24.022 -8.028 1.00 4.43 N ATOM 1111 CA SER A 69 -17.437 -24.568 -8.599 1.00 53.51 C ATOM 1112 C SER A 69 -17.400 -26.099 -8.613 1.00 43.24 C ATOM 1113 O SER A 69 -16.353 -26.700 -8.877 1.00 44.05 O ATOM 1114 CB SER A 69 -17.661 -24.050 -10.025 1.00 15.42 C ATOM 1115 OG SER A 69 -18.868 -24.562 -10.570 1.00 14.40 O ATOM 0 H SER A 69 -15.407 -24.008 -8.676 1.00 4.43 H new ATOM 0 HA SER A 69 -18.262 -24.235 -7.969 1.00 53.51 H new ATOM 0 HB2 SER A 69 -17.694 -22.961 -10.019 1.00 15.42 H new ATOM 0 HB3 SER A 69 -16.821 -24.340 -10.657 1.00 15.42 H new ATOM 0 HG SER A 69 -18.989 -24.216 -11.479 1.00 14.40 H new ATOM 1121 N GLU A 70 -18.544 -26.724 -8.318 1.00 71.22 N ATOM 1122 CA GLU A 70 -18.657 -28.193 -8.292 1.00 41.33 C ATOM 1123 C GLU A 70 -17.690 -28.821 -7.272 1.00 24.10 C ATOM 1124 O GLU A 70 -17.403 -30.016 -7.331 1.00 31.14 O ATOM 1125 CB GLU A 70 -18.384 -28.774 -9.690 1.00 24.43 C ATOM 1126 CG GLU A 70 -19.285 -28.219 -10.791 1.00 73.55 C ATOM 1127 CD GLU A 70 -20.762 -28.448 -10.521 1.00 24.24 C ATOM 1128 OE1 GLU A 70 -21.187 -29.622 -10.458 1.00 45.21 O ATOM 1129 OE2 GLU A 70 -21.507 -27.456 -10.365 1.00 34.15 O ATOM 0 H GLU A 70 -19.411 -26.236 -8.092 1.00 71.22 H new ATOM 0 HA GLU A 70 -19.675 -28.437 -7.988 1.00 41.33 H new ATOM 0 HB2 GLU A 70 -17.345 -28.578 -9.955 1.00 24.43 H new ATOM 0 HB3 GLU A 70 -18.504 -29.857 -9.650 1.00 24.43 H new ATOM 0 HG2 GLU A 70 -19.102 -27.150 -10.898 1.00 73.55 H new ATOM 0 HG3 GLU A 70 -19.018 -28.684 -11.740 1.00 73.55 H new ATOM 1136 N SER A 71 -17.213 -28.008 -6.327 1.00 14.13 N ATOM 1137 CA SER A 71 -16.184 -28.427 -5.362 1.00 24.41 C ATOM 1138 C SER A 71 -14.965 -29.036 -6.075 1.00 0.21 C ATOM 1139 O SER A 71 -14.668 -30.223 -5.935 1.00 54.20 O ATOM 1140 CB SER A 71 -16.762 -29.419 -4.337 1.00 61.32 C ATOM 1141 OG SER A 71 -15.794 -29.780 -3.359 1.00 10.41 O ATOM 0 H SER A 71 -17.525 -27.044 -6.206 1.00 14.13 H new ATOM 0 HA SER A 71 -15.852 -27.537 -4.828 1.00 24.41 H new ATOM 0 HB2 SER A 71 -17.628 -28.974 -3.847 1.00 61.32 H new ATOM 0 HB3 SER A 71 -17.112 -30.314 -4.852 1.00 61.32 H new ATOM 0 HG SER A 71 -16.192 -30.409 -2.722 1.00 10.41 H new ATOM 1147 N GLY A 72 -14.277 -28.212 -6.865 1.00 52.14 N ATOM 1148 CA GLY A 72 -13.114 -28.682 -7.611 1.00 24.53 C ATOM 1149 C GLY A 72 -12.668 -27.705 -8.694 1.00 24.42 C ATOM 1150 O GLY A 72 -11.478 -27.406 -8.818 1.00 63.32 O ATOM 0 H GLY A 72 -14.503 -27.227 -7.003 1.00 52.14 H new ATOM 0 HA2 GLY A 72 -12.289 -28.851 -6.919 1.00 24.53 H new ATOM 0 HA3 GLY A 72 -13.347 -29.643 -8.070 1.00 24.53 H new ATOM 1154 N ARG A 73 -13.623 -27.211 -9.484 1.00 65.00 N ATOM 1155 CA ARG A 73 -13.332 -26.201 -10.510 1.00 34.30 C ATOM 1156 C ARG A 73 -13.148 -24.816 -9.868 1.00 42.25 C ATOM 1157 O ARG A 73 -13.663 -24.554 -8.784 1.00 14.42 O ATOM 1158 CB ARG A 73 -14.458 -26.140 -11.561 1.00 41.33 C ATOM 1159 CG ARG A 73 -14.515 -27.337 -12.515 1.00 64.34 C ATOM 1160 CD ARG A 73 -14.977 -28.623 -11.834 1.00 41.34 C ATOM 1161 NE ARG A 73 -15.098 -29.725 -12.790 1.00 2.44 N ATOM 1162 CZ ARG A 73 -15.629 -30.890 -12.519 1.00 23.22 C ATOM 1163 NH1 ARG A 73 -16.033 -31.174 -11.323 1.00 73.51 N ATOM 1164 NH2 ARG A 73 -15.726 -31.789 -13.446 1.00 20.24 N ATOM 0 H ARG A 73 -14.603 -27.491 -9.435 1.00 65.00 H new ATOM 0 HA ARG A 73 -12.406 -26.490 -11.007 1.00 34.30 H new ATOM 0 HB2 ARG A 73 -15.414 -26.060 -11.044 1.00 41.33 H new ATOM 0 HB3 ARG A 73 -14.337 -25.230 -12.149 1.00 41.33 H new ATOM 0 HG2 ARG A 73 -15.191 -27.106 -13.339 1.00 64.34 H new ATOM 0 HG3 ARG A 73 -13.527 -27.497 -12.948 1.00 64.34 H new ATOM 0 HD2 ARG A 73 -14.269 -28.896 -11.051 1.00 41.34 H new ATOM 0 HD3 ARG A 73 -15.939 -28.454 -11.349 1.00 41.34 H new ATOM 0 HE ARG A 73 -14.743 -29.574 -13.734 1.00 2.44 H new ATOM 0 HH11 ARG A 73 -15.940 -30.486 -10.576 1.00 73.51 H new ATOM 0 HH12 ARG A 73 -16.445 -32.086 -11.127 1.00 73.51 H new ATOM 0 HH21 ARG A 73 -15.388 -31.589 -14.388 1.00 20.24 H new ATOM 0 HH22 ARG A 73 -16.140 -32.697 -13.235 1.00 20.24 H new ATOM 1178 N VAL A 74 -12.425 -23.928 -10.541 1.00 1.44 N ATOM 1179 CA VAL A 74 -12.154 -22.587 -10.008 1.00 15.22 C ATOM 1180 C VAL A 74 -13.092 -21.530 -10.620 1.00 43.42 C ATOM 1181 O VAL A 74 -13.284 -21.481 -11.834 1.00 60.23 O ATOM 1182 CB VAL A 74 -10.680 -22.177 -10.262 1.00 53.11 C ATOM 1183 CG1 VAL A 74 -10.381 -20.796 -9.675 1.00 73.43 C ATOM 1184 CG2 VAL A 74 -9.721 -23.230 -9.697 1.00 20.34 C ATOM 0 H VAL A 74 -12.014 -24.107 -11.457 1.00 1.44 H new ATOM 0 HA VAL A 74 -12.336 -22.630 -8.934 1.00 15.22 H new ATOM 0 HB VAL A 74 -10.528 -22.119 -11.340 1.00 53.11 H new ATOM 0 HG11 VAL A 74 -9.340 -20.536 -9.869 1.00 73.43 H new ATOM 0 HG12 VAL A 74 -11.033 -20.055 -10.138 1.00 73.43 H new ATOM 0 HG13 VAL A 74 -10.557 -20.812 -8.599 1.00 73.43 H new ATOM 0 HG21 VAL A 74 -8.692 -22.924 -9.886 1.00 20.34 H new ATOM 0 HG22 VAL A 74 -9.880 -23.328 -8.623 1.00 20.34 H new ATOM 0 HG23 VAL A 74 -9.908 -24.189 -10.180 1.00 20.34 H new ATOM 1194 N ARG A 75 -13.691 -20.695 -9.768 1.00 32.12 N ATOM 1195 CA ARG A 75 -14.539 -19.583 -10.229 1.00 60.41 C ATOM 1196 C ARG A 75 -13.798 -18.241 -10.172 1.00 42.50 C ATOM 1197 O ARG A 75 -13.508 -17.623 -11.195 1.00 62.30 O ATOM 1198 CB ARG A 75 -15.806 -19.473 -9.366 1.00 31.32 C ATOM 1199 CG ARG A 75 -16.984 -20.304 -9.850 1.00 61.22 C ATOM 1200 CD ARG A 75 -18.216 -20.055 -8.984 1.00 71.33 C ATOM 1201 NE ARG A 75 -18.457 -18.623 -8.766 1.00 72.02 N ATOM 1202 CZ ARG A 75 -19.639 -18.070 -8.741 1.00 75.32 C ATOM 1203 NH1 ARG A 75 -20.696 -18.761 -9.019 1.00 42.13 N ATOM 1204 NH2 ARG A 75 -19.754 -16.812 -8.462 1.00 1.24 N ATOM 0 H ARG A 75 -13.607 -20.764 -8.754 1.00 32.12 H new ATOM 0 HA ARG A 75 -14.805 -19.800 -11.264 1.00 60.41 H new ATOM 0 HB2 ARG A 75 -15.562 -19.774 -8.347 1.00 31.32 H new ATOM 0 HB3 ARG A 75 -16.110 -18.427 -9.325 1.00 31.32 H new ATOM 0 HG2 ARG A 75 -17.207 -20.056 -10.888 1.00 61.22 H new ATOM 0 HG3 ARG A 75 -16.723 -21.362 -9.824 1.00 61.22 H new ATOM 0 HD2 ARG A 75 -19.089 -20.501 -9.460 1.00 71.33 H new ATOM 0 HD3 ARG A 75 -18.089 -20.551 -8.022 1.00 71.33 H new ATOM 0 HE ARG A 75 -17.646 -18.020 -8.625 1.00 72.02 H new ATOM 0 HH11 ARG A 75 -20.611 -19.748 -9.261 1.00 42.13 H new ATOM 0 HH12 ARG A 75 -21.615 -18.319 -8.996 1.00 42.13 H new ATOM 0 HH21 ARG A 75 -18.923 -16.256 -8.263 1.00 1.24 H new ATOM 0 HH22 ARG A 75 -20.676 -16.376 -8.442 1.00 1.24 H new ATOM 1218 N GLU A 76 -13.512 -17.795 -8.952 1.00 53.53 N ATOM 1219 CA GLU A 76 -12.962 -16.459 -8.718 1.00 74.30 C ATOM 1220 C GLU A 76 -11.747 -16.522 -7.783 1.00 73.21 C ATOM 1221 O GLU A 76 -11.767 -17.227 -6.773 1.00 22.43 O ATOM 1222 CB GLU A 76 -14.053 -15.563 -8.110 1.00 50.10 C ATOM 1223 CG GLU A 76 -15.292 -15.427 -8.994 1.00 34.12 C ATOM 1224 CD GLU A 76 -16.464 -14.767 -8.284 1.00 41.40 C ATOM 1225 OE1 GLU A 76 -16.545 -13.519 -8.287 1.00 70.33 O ATOM 1226 OE2 GLU A 76 -17.319 -15.495 -7.727 1.00 12.22 O ATOM 0 H GLU A 76 -13.653 -18.342 -8.103 1.00 53.53 H new ATOM 0 HA GLU A 76 -12.631 -16.041 -9.669 1.00 74.30 H new ATOM 0 HB2 GLU A 76 -14.349 -15.970 -7.143 1.00 50.10 H new ATOM 0 HB3 GLU A 76 -13.637 -14.572 -7.925 1.00 50.10 H new ATOM 0 HG2 GLU A 76 -15.037 -14.844 -9.879 1.00 34.12 H new ATOM 0 HG3 GLU A 76 -15.595 -16.416 -9.339 1.00 34.12 H new ATOM 1233 N PHE A 77 -10.695 -15.787 -8.128 1.00 12.52 N ATOM 1234 CA PHE A 77 -9.458 -15.763 -7.338 1.00 71.21 C ATOM 1235 C PHE A 77 -9.433 -14.534 -6.411 1.00 71.41 C ATOM 1236 O PHE A 77 -9.740 -13.417 -6.833 1.00 43.34 O ATOM 1237 CB PHE A 77 -8.242 -15.756 -8.287 1.00 31.34 C ATOM 1238 CG PHE A 77 -7.096 -16.630 -7.836 1.00 22.11 C ATOM 1239 CD1 PHE A 77 -7.279 -17.995 -7.650 1.00 14.45 C ATOM 1240 CD2 PHE A 77 -5.833 -16.096 -7.618 1.00 50.12 C ATOM 1241 CE1 PHE A 77 -6.229 -18.804 -7.257 1.00 44.21 C ATOM 1242 CE2 PHE A 77 -4.783 -16.902 -7.223 1.00 33.20 C ATOM 1243 CZ PHE A 77 -4.980 -18.256 -7.042 1.00 12.45 C ATOM 0 H PHE A 77 -10.670 -15.193 -8.957 1.00 12.52 H new ATOM 0 HA PHE A 77 -9.415 -16.655 -6.713 1.00 71.21 H new ATOM 0 HB2 PHE A 77 -8.565 -16.083 -9.275 1.00 31.34 H new ATOM 0 HB3 PHE A 77 -7.883 -14.732 -8.391 1.00 31.34 H new ATOM 0 HD1 PHE A 77 -8.254 -18.429 -7.815 1.00 14.45 H new ATOM 0 HD2 PHE A 77 -5.670 -15.038 -7.759 1.00 50.12 H new ATOM 0 HE1 PHE A 77 -6.386 -19.864 -7.118 1.00 44.21 H new ATOM 0 HE2 PHE A 77 -3.807 -16.472 -7.056 1.00 33.20 H new ATOM 0 HZ PHE A 77 -4.159 -18.886 -6.733 1.00 12.45 H new ATOM 1253 N GLU A 78 -9.067 -14.747 -5.151 1.00 53.41 N ATOM 1254 CA GLU A 78 -9.101 -13.687 -4.132 1.00 10.44 C ATOM 1255 C GLU A 78 -7.707 -13.080 -3.896 1.00 1.14 C ATOM 1256 O GLU A 78 -6.861 -13.678 -3.234 1.00 41.13 O ATOM 1257 CB GLU A 78 -9.659 -14.257 -2.816 1.00 63.11 C ATOM 1258 CG GLU A 78 -9.613 -13.285 -1.638 1.00 61.00 C ATOM 1259 CD GLU A 78 -10.121 -13.905 -0.344 1.00 33.11 C ATOM 1260 OE1 GLU A 78 -9.571 -14.944 0.079 1.00 32.04 O ATOM 1261 OE2 GLU A 78 -11.060 -13.350 0.265 1.00 23.35 O ATOM 0 H GLU A 78 -8.740 -15.648 -4.803 1.00 53.41 H new ATOM 0 HA GLU A 78 -9.750 -12.889 -4.494 1.00 10.44 H new ATOM 0 HB2 GLU A 78 -10.692 -14.565 -2.977 1.00 63.11 H new ATOM 0 HB3 GLU A 78 -9.096 -15.153 -2.554 1.00 63.11 H new ATOM 0 HG2 GLU A 78 -8.588 -12.943 -1.494 1.00 61.00 H new ATOM 0 HG3 GLU A 78 -10.212 -12.406 -1.874 1.00 61.00 H new ATOM 1268 N LEU A 79 -7.470 -11.892 -4.443 1.00 43.54 N ATOM 1269 CA LEU A 79 -6.182 -11.207 -4.267 1.00 73.04 C ATOM 1270 C LEU A 79 -6.225 -10.302 -3.026 1.00 3.55 C ATOM 1271 O LEU A 79 -7.067 -9.409 -2.934 1.00 60.43 O ATOM 1272 CB LEU A 79 -5.834 -10.368 -5.512 1.00 54.22 C ATOM 1273 CG LEU A 79 -6.084 -11.052 -6.871 1.00 13.04 C ATOM 1274 CD1 LEU A 79 -5.457 -10.249 -8.010 1.00 32.13 C ATOM 1275 CD2 LEU A 79 -5.571 -12.488 -6.875 1.00 74.44 C ATOM 0 H LEU A 79 -8.146 -11.381 -5.010 1.00 43.54 H new ATOM 0 HA LEU A 79 -5.411 -11.965 -4.131 1.00 73.04 H new ATOM 0 HB2 LEU A 79 -6.413 -9.445 -5.479 1.00 54.22 H new ATOM 0 HB3 LEU A 79 -4.782 -10.087 -5.456 1.00 54.22 H new ATOM 0 HG LEU A 79 -7.162 -11.084 -7.029 1.00 13.04 H new ATOM 0 HD11 LEU A 79 -5.647 -10.752 -8.958 1.00 32.13 H new ATOM 0 HD12 LEU A 79 -5.894 -9.251 -8.035 1.00 32.13 H new ATOM 0 HD13 LEU A 79 -4.382 -10.170 -7.851 1.00 32.13 H new ATOM 0 HD21 LEU A 79 -5.763 -12.940 -7.848 1.00 74.44 H new ATOM 0 HD22 LEU A 79 -4.499 -12.492 -6.679 1.00 74.44 H new ATOM 0 HD23 LEU A 79 -6.084 -13.060 -6.101 1.00 74.44 H new ATOM 1287 N VAL A 80 -5.323 -10.531 -2.073 1.00 23.41 N ATOM 1288 CA VAL A 80 -5.312 -9.757 -0.823 1.00 40.24 C ATOM 1289 C VAL A 80 -3.934 -9.121 -0.550 1.00 65.04 C ATOM 1290 O VAL A 80 -2.886 -9.719 -0.811 1.00 51.10 O ATOM 1291 CB VAL A 80 -5.741 -10.632 0.386 1.00 62.40 C ATOM 1292 CG1 VAL A 80 -4.819 -11.839 0.544 1.00 3.53 C ATOM 1293 CG2 VAL A 80 -5.795 -9.807 1.674 1.00 41.32 C ATOM 0 H VAL A 80 -4.593 -11.240 -2.137 1.00 23.41 H new ATOM 0 HA VAL A 80 -6.036 -8.952 -0.948 1.00 40.24 H new ATOM 0 HB VAL A 80 -6.746 -11.003 0.188 1.00 62.40 H new ATOM 0 HG11 VAL A 80 -5.142 -12.434 1.398 1.00 3.53 H new ATOM 0 HG12 VAL A 80 -4.859 -12.448 -0.359 1.00 3.53 H new ATOM 0 HG13 VAL A 80 -3.797 -11.497 0.706 1.00 3.53 H new ATOM 0 HG21 VAL A 80 -6.098 -10.446 2.503 1.00 41.32 H new ATOM 0 HG22 VAL A 80 -4.810 -9.389 1.880 1.00 41.32 H new ATOM 0 HG23 VAL A 80 -6.516 -8.998 1.558 1.00 41.32 H new ATOM 1303 N TYR A 81 -3.955 -7.898 -0.021 1.00 35.03 N ATOM 1304 CA TYR A 81 -2.732 -7.132 0.238 1.00 62.14 C ATOM 1305 C TYR A 81 -2.776 -6.488 1.637 1.00 33.24 C ATOM 1306 O TYR A 81 -3.662 -5.684 1.938 1.00 35.43 O ATOM 1307 CB TYR A 81 -2.571 -6.055 -0.849 1.00 42.14 C ATOM 1308 CG TYR A 81 -1.205 -5.384 -0.901 1.00 34.33 C ATOM 1309 CD1 TYR A 81 -0.054 -6.059 -0.508 1.00 12.51 C ATOM 1310 CD2 TYR A 81 -1.069 -4.078 -1.366 1.00 2.00 C ATOM 1311 CE1 TYR A 81 1.188 -5.454 -0.572 1.00 41.01 C ATOM 1312 CE2 TYR A 81 0.168 -3.468 -1.435 1.00 32.33 C ATOM 1313 CZ TYR A 81 1.295 -4.159 -1.037 1.00 53.24 C ATOM 1314 OH TYR A 81 2.532 -3.554 -1.108 1.00 32.42 O ATOM 0 H TYR A 81 -4.813 -7.411 0.239 1.00 35.03 H new ATOM 0 HA TYR A 81 -1.875 -7.805 0.210 1.00 62.14 H new ATOM 0 HB2 TYR A 81 -2.772 -6.508 -1.820 1.00 42.14 H new ATOM 0 HB3 TYR A 81 -3.329 -5.288 -0.692 1.00 42.14 H new ATOM 0 HD1 TYR A 81 -0.132 -7.074 -0.146 1.00 12.51 H new ATOM 0 HD2 TYR A 81 -1.947 -3.532 -1.678 1.00 2.00 H new ATOM 0 HE1 TYR A 81 2.070 -5.993 -0.259 1.00 41.01 H new ATOM 0 HE2 TYR A 81 0.253 -2.455 -1.799 1.00 32.33 H new ATOM 0 HH TYR A 81 2.432 -2.644 -1.458 1.00 32.42 H new ATOM 1324 N ARG A 82 -1.825 -6.863 2.492 1.00 45.45 N ATOM 1325 CA ARG A 82 -1.755 -6.360 3.872 1.00 2.20 C ATOM 1326 C ARG A 82 -0.588 -5.379 4.060 1.00 53.32 C ATOM 1327 O ARG A 82 0.569 -5.790 4.167 1.00 33.14 O ATOM 1328 CB ARG A 82 -1.600 -7.537 4.848 1.00 41.31 C ATOM 1329 CG ARG A 82 -2.800 -8.478 4.882 1.00 11.11 C ATOM 1330 CD ARG A 82 -4.031 -7.803 5.481 1.00 51.44 C ATOM 1331 NE ARG A 82 -3.816 -7.394 6.871 1.00 40.04 N ATOM 1332 CZ ARG A 82 -4.766 -7.295 7.762 1.00 63.21 C ATOM 1333 NH1 ARG A 82 -5.984 -7.619 7.462 1.00 42.22 N ATOM 1334 NH2 ARG A 82 -4.494 -6.898 8.958 1.00 55.32 N ATOM 0 H ARG A 82 -1.083 -7.521 2.253 1.00 45.45 H new ATOM 0 HA ARG A 82 -2.682 -5.825 4.078 1.00 2.20 H new ATOM 0 HB2 ARG A 82 -0.712 -8.107 4.575 1.00 41.31 H new ATOM 0 HB3 ARG A 82 -1.431 -7.144 5.851 1.00 41.31 H new ATOM 0 HG2 ARG A 82 -3.026 -8.816 3.871 1.00 11.11 H new ATOM 0 HG3 ARG A 82 -2.551 -9.364 5.466 1.00 11.11 H new ATOM 0 HD2 ARG A 82 -4.291 -6.930 4.883 1.00 51.44 H new ATOM 0 HD3 ARG A 82 -4.878 -8.487 5.432 1.00 51.44 H new ATOM 0 HE ARG A 82 -2.864 -7.172 7.162 1.00 40.04 H new ATOM 0 HH11 ARG A 82 -6.206 -7.954 6.525 1.00 42.22 H new ATOM 0 HH12 ARG A 82 -6.720 -7.539 8.163 1.00 42.22 H new ATOM 0 HH21 ARG A 82 -3.535 -6.660 9.211 1.00 55.32 H new ATOM 0 HH22 ARG A 82 -5.238 -6.822 9.652 1.00 55.32 H new ATOM 1348 N VAL A 83 -0.893 -4.086 4.098 1.00 33.14 N ATOM 1349 CA VAL A 83 0.132 -3.054 4.309 1.00 51.12 C ATOM 1350 C VAL A 83 0.103 -2.524 5.752 1.00 32.01 C ATOM 1351 O VAL A 83 -0.797 -1.777 6.128 1.00 52.13 O ATOM 1352 CB VAL A 83 -0.053 -1.867 3.328 1.00 0.23 C ATOM 1353 CG1 VAL A 83 1.051 -0.825 3.512 1.00 3.33 C ATOM 1354 CG2 VAL A 83 -0.091 -2.364 1.886 1.00 42.33 C ATOM 0 H VAL A 83 -1.839 -3.722 3.986 1.00 33.14 H new ATOM 0 HA VAL A 83 1.097 -3.525 4.121 1.00 51.12 H new ATOM 0 HB VAL A 83 -1.006 -1.389 3.553 1.00 0.23 H new ATOM 0 HG11 VAL A 83 0.897 -0.004 2.812 1.00 3.33 H new ATOM 0 HG12 VAL A 83 1.023 -0.442 4.532 1.00 3.33 H new ATOM 0 HG13 VAL A 83 2.021 -1.285 3.323 1.00 3.33 H new ATOM 0 HG21 VAL A 83 -0.221 -1.517 1.213 1.00 42.33 H new ATOM 0 HG22 VAL A 83 0.844 -2.873 1.652 1.00 42.33 H new ATOM 0 HG23 VAL A 83 -0.923 -3.057 1.762 1.00 42.33 H new ATOM 1364 N ALA A 84 1.087 -2.916 6.560 1.00 44.20 N ATOM 1365 CA ALA A 84 1.167 -2.470 7.961 1.00 22.20 C ATOM 1366 C ALA A 84 2.351 -1.518 8.185 1.00 41.54 C ATOM 1367 O ALA A 84 3.448 -1.752 7.674 1.00 11.52 O ATOM 1368 CB ALA A 84 1.280 -3.670 8.890 1.00 61.24 C ATOM 0 H ALA A 84 1.841 -3.540 6.275 1.00 44.20 H new ATOM 0 HA ALA A 84 0.251 -1.924 8.187 1.00 22.20 H new ATOM 0 HB1 ALA A 84 1.338 -3.326 9.923 1.00 61.24 H new ATOM 0 HB2 ALA A 84 0.404 -4.308 8.769 1.00 61.24 H new ATOM 0 HB3 ALA A 84 2.178 -4.237 8.645 1.00 61.24 H new ATOM 1374 N ALA A 85 2.126 -0.462 8.969 1.00 34.55 N ATOM 1375 CA ALA A 85 3.162 0.545 9.243 1.00 34.24 C ATOM 1376 C ALA A 85 2.992 1.178 10.635 1.00 64.42 C ATOM 1377 O ALA A 85 2.155 0.745 11.426 1.00 51.34 O ATOM 1378 CB ALA A 85 3.136 1.621 8.162 1.00 4.55 C ATOM 0 H ALA A 85 1.234 -0.279 9.428 1.00 34.55 H new ATOM 0 HA ALA A 85 4.129 0.043 9.232 1.00 34.24 H new ATOM 0 HB1 ALA A 85 3.906 2.364 8.370 1.00 4.55 H new ATOM 0 HB2 ALA A 85 3.325 1.165 7.190 1.00 4.55 H new ATOM 0 HB3 ALA A 85 2.159 2.103 8.152 1.00 4.55 H new ATOM 1384 N ARG A 86 3.825 2.179 10.941 1.00 12.11 N ATOM 1385 CA ARG A 86 3.706 2.963 12.181 1.00 52.13 C ATOM 1386 C ARG A 86 4.107 4.428 11.927 1.00 55.42 C ATOM 1387 O ARG A 86 4.955 4.705 11.078 1.00 52.31 O ATOM 1388 CB ARG A 86 4.588 2.375 13.301 1.00 53.33 C ATOM 1389 CG ARG A 86 4.253 0.933 13.679 1.00 32.34 C ATOM 1390 CD ARG A 86 4.992 0.487 14.939 1.00 3.14 C ATOM 1391 NE ARG A 86 4.519 1.194 16.130 1.00 0.01 N ATOM 1392 CZ ARG A 86 5.088 1.131 17.305 1.00 33.23 C ATOM 1393 NH1 ARG A 86 6.138 0.400 17.500 1.00 3.00 N ATOM 1394 NH2 ARG A 86 4.589 1.795 18.292 1.00 43.42 N ATOM 0 H ARG A 86 4.597 2.469 10.341 1.00 12.11 H new ATOM 0 HA ARG A 86 2.665 2.920 12.501 1.00 52.13 H new ATOM 0 HB2 ARG A 86 5.631 2.422 12.988 1.00 53.33 H new ATOM 0 HB3 ARG A 86 4.493 3.001 14.188 1.00 53.33 H new ATOM 0 HG2 ARG A 86 3.178 0.839 13.836 1.00 32.34 H new ATOM 0 HG3 ARG A 86 4.513 0.272 12.853 1.00 32.34 H new ATOM 0 HD2 ARG A 86 4.859 -0.586 15.077 1.00 3.14 H new ATOM 0 HD3 ARG A 86 6.061 0.662 14.814 1.00 3.14 H new ATOM 0 HE ARG A 86 3.687 1.777 16.037 1.00 0.01 H new ATOM 0 HH11 ARG A 86 6.534 -0.139 16.730 1.00 3.00 H new ATOM 0 HH12 ARG A 86 6.569 0.363 18.424 1.00 3.00 H new ATOM 0 HH21 ARG A 86 3.755 2.365 18.153 1.00 43.42 H new ATOM 0 HH22 ARG A 86 5.029 1.750 19.211 1.00 43.42 H new ATOM 1408 N LEU A 87 3.499 5.362 12.663 1.00 52.31 N ATOM 1409 CA LEU A 87 3.809 6.792 12.505 1.00 25.04 C ATOM 1410 C LEU A 87 4.637 7.316 13.693 1.00 13.51 C ATOM 1411 O LEU A 87 4.120 7.491 14.799 1.00 0.02 O ATOM 1412 CB LEU A 87 2.516 7.615 12.370 1.00 43.42 C ATOM 1413 CG LEU A 87 2.717 9.077 11.929 1.00 12.44 C ATOM 1414 CD1 LEU A 87 3.129 9.150 10.461 1.00 5.32 C ATOM 1415 CD2 LEU A 87 1.455 9.899 12.178 1.00 25.01 C ATOM 0 H LEU A 87 2.793 5.159 13.371 1.00 52.31 H new ATOM 0 HA LEU A 87 4.399 6.903 11.595 1.00 25.04 H new ATOM 0 HB2 LEU A 87 1.862 7.121 11.651 1.00 43.42 H new ATOM 0 HB3 LEU A 87 1.998 7.609 13.329 1.00 43.42 H new ATOM 0 HG LEU A 87 3.522 9.502 12.529 1.00 12.44 H new ATOM 0 HD11 LEU A 87 3.265 10.192 10.173 1.00 5.32 H new ATOM 0 HD12 LEU A 87 4.064 8.609 10.318 1.00 5.32 H new ATOM 0 HD13 LEU A 87 2.352 8.701 9.842 1.00 5.32 H new ATOM 0 HD21 LEU A 87 1.622 10.928 11.859 1.00 25.01 H new ATOM 0 HD22 LEU A 87 0.626 9.473 11.613 1.00 25.01 H new ATOM 0 HD23 LEU A 87 1.215 9.884 13.241 1.00 25.01 H new ATOM 1427 N LEU A 88 5.922 7.561 13.455 1.00 11.40 N ATOM 1428 CA LEU A 88 6.846 8.019 14.502 1.00 10.12 C ATOM 1429 C LEU A 88 7.176 9.515 14.351 1.00 53.04 C ATOM 1430 O LEU A 88 6.807 10.147 13.360 1.00 2.13 O ATOM 1431 CB LEU A 88 8.146 7.193 14.471 1.00 43.43 C ATOM 1432 CG LEU A 88 7.977 5.665 14.638 1.00 63.01 C ATOM 1433 CD1 LEU A 88 7.419 5.024 13.370 1.00 14.13 C ATOM 1434 CD2 LEU A 88 9.298 5.011 15.025 1.00 32.54 C ATOM 0 H LEU A 88 6.356 7.450 12.539 1.00 11.40 H new ATOM 0 HA LEU A 88 6.350 7.876 15.462 1.00 10.12 H new ATOM 0 HB2 LEU A 88 8.652 7.382 13.524 1.00 43.43 H new ATOM 0 HB3 LEU A 88 8.803 7.555 15.261 1.00 43.43 H new ATOM 0 HG LEU A 88 7.260 5.502 15.442 1.00 63.01 H new ATOM 0 HD11 LEU A 88 7.313 3.950 13.522 1.00 14.13 H new ATOM 0 HD12 LEU A 88 6.445 5.456 13.142 1.00 14.13 H new ATOM 0 HD13 LEU A 88 8.101 5.207 12.539 1.00 14.13 H new ATOM 0 HD21 LEU A 88 9.153 3.936 15.137 1.00 32.54 H new ATOM 0 HD22 LEU A 88 10.038 5.199 14.247 1.00 32.54 H new ATOM 0 HD23 LEU A 88 9.649 5.430 15.968 1.00 32.54 H new ATOM 1446 N ASP A 89 7.870 10.081 15.339 1.00 2.33 N ATOM 1447 CA ASP A 89 8.282 11.488 15.288 1.00 31.53 C ATOM 1448 C ASP A 89 9.726 11.614 14.764 1.00 42.40 C ATOM 1449 O ASP A 89 10.336 10.626 14.354 1.00 34.25 O ATOM 1450 CB ASP A 89 8.161 12.134 16.682 1.00 53.40 C ATOM 1451 CG ASP A 89 9.391 11.909 17.550 1.00 65.52 C ATOM 1452 OD1 ASP A 89 9.703 10.751 17.859 1.00 3.13 O ATOM 1453 OD2 ASP A 89 10.067 12.903 17.907 1.00 24.44 O ATOM 0 H ASP A 89 8.159 9.589 16.184 1.00 2.33 H new ATOM 0 HA ASP A 89 7.619 12.014 14.600 1.00 31.53 H new ATOM 0 HB2 ASP A 89 7.995 13.205 16.567 1.00 53.40 H new ATOM 0 HB3 ASP A 89 7.286 11.729 17.190 1.00 53.40 H new ATOM 1458 N ALA A 90 10.271 12.831 14.802 1.00 53.41 N ATOM 1459 CA ALA A 90 11.652 13.088 14.369 1.00 51.22 C ATOM 1460 C ALA A 90 12.667 12.173 15.081 1.00 33.44 C ATOM 1461 O ALA A 90 13.662 11.752 14.490 1.00 72.11 O ATOM 1462 CB ALA A 90 12.011 14.549 14.622 1.00 22.24 C ATOM 0 H ALA A 90 9.776 13.661 15.130 1.00 53.41 H new ATOM 0 HA ALA A 90 11.705 12.869 13.302 1.00 51.22 H new ATOM 0 HB1 ALA A 90 13.036 14.733 14.299 1.00 22.24 H new ATOM 0 HB2 ALA A 90 11.333 15.193 14.062 1.00 22.24 H new ATOM 0 HB3 ALA A 90 11.921 14.767 15.686 1.00 22.24 H new ATOM 1468 N HIS A 91 12.403 11.859 16.349 1.00 31.24 N ATOM 1469 CA HIS A 91 13.328 11.064 17.165 1.00 53.35 C ATOM 1470 C HIS A 91 12.970 9.567 17.159 1.00 31.35 C ATOM 1471 O HIS A 91 13.403 8.820 18.036 1.00 41.02 O ATOM 1472 CB HIS A 91 13.332 11.599 18.602 1.00 1.24 C ATOM 1473 CG HIS A 91 13.660 13.056 18.688 1.00 14.14 C ATOM 1474 ND1 HIS A 91 12.699 14.040 18.708 1.00 54.23 N ATOM 1475 CD2 HIS A 91 14.852 13.701 18.745 1.00 64.04 C ATOM 1476 CE1 HIS A 91 13.279 15.222 18.773 1.00 53.13 C ATOM 1477 NE2 HIS A 91 14.583 15.045 18.798 1.00 11.52 N ATOM 0 H HIS A 91 11.554 12.143 16.837 1.00 31.24 H new ATOM 0 HA HIS A 91 14.322 11.159 16.729 1.00 53.35 H new ATOM 0 HB2 HIS A 91 12.353 11.427 19.050 1.00 1.24 H new ATOM 0 HB3 HIS A 91 14.056 11.035 19.191 1.00 1.24 H new ATOM 0 HD1 HIS A 91 11.692 13.880 18.677 1.00 54.23 H new ATOM 0 HD2 HIS A 91 15.830 13.242 18.748 1.00 64.04 H new ATOM 0 HE1 HIS A 91 12.770 16.174 18.801 1.00 53.13 H new ATOM 1486 N ASN A 92 12.188 9.139 16.166 1.00 20.35 N ATOM 1487 CA ASN A 92 11.825 7.719 15.994 1.00 75.33 C ATOM 1488 C ASN A 92 11.045 7.152 17.199 1.00 35.10 C ATOM 1489 O ASN A 92 11.165 5.972 17.539 1.00 31.44 O ATOM 1490 CB ASN A 92 13.080 6.875 15.716 1.00 11.14 C ATOM 1491 CG ASN A 92 13.777 7.294 14.434 1.00 5.04 C ATOM 1492 OD1 ASN A 92 13.479 6.792 13.356 1.00 23.12 O ATOM 1493 ND2 ASN A 92 14.717 8.209 14.539 1.00 21.42 N ATOM 0 H ASN A 92 11.788 9.757 15.460 1.00 20.35 H new ATOM 0 HA ASN A 92 11.157 7.664 15.134 1.00 75.33 H new ATOM 0 HB2 ASN A 92 13.773 6.970 16.552 1.00 11.14 H new ATOM 0 HB3 ASN A 92 12.802 5.823 15.650 1.00 11.14 H new ATOM 0 HD21 ASN A 92 15.221 8.520 13.709 1.00 21.42 H new ATOM 0 HD22 ASN A 92 14.941 8.607 15.451 1.00 21.42 H new ATOM 1500 N ALA A 93 10.235 7.993 17.831 1.00 13.15 N ATOM 1501 CA ALA A 93 9.298 7.543 18.866 1.00 73.42 C ATOM 1502 C ALA A 93 7.869 7.523 18.305 1.00 61.44 C ATOM 1503 O ALA A 93 7.486 8.411 17.544 1.00 65.44 O ATOM 1504 CB ALA A 93 9.385 8.442 20.098 1.00 75.42 C ATOM 0 H ALA A 93 10.205 8.996 17.647 1.00 13.15 H new ATOM 0 HA ALA A 93 9.568 6.531 19.169 1.00 73.42 H new ATOM 0 HB1 ALA A 93 8.682 8.092 20.854 1.00 75.42 H new ATOM 0 HB2 ALA A 93 10.397 8.410 20.501 1.00 75.42 H new ATOM 0 HB3 ALA A 93 9.137 9.466 19.819 1.00 75.42 H new ATOM 1510 N GLU A 94 7.089 6.506 18.660 1.00 0.04 N ATOM 1511 CA GLU A 94 5.725 6.360 18.133 1.00 22.25 C ATOM 1512 C GLU A 94 4.855 7.600 18.426 1.00 3.32 C ATOM 1513 O GLU A 94 4.438 7.837 19.562 1.00 31.11 O ATOM 1514 CB GLU A 94 5.070 5.089 18.694 1.00 50.11 C ATOM 1515 CG GLU A 94 5.067 5.006 20.216 1.00 44.43 C ATOM 1516 CD GLU A 94 4.541 3.676 20.724 1.00 2.34 C ATOM 1517 OE1 GLU A 94 5.324 2.703 20.767 1.00 24.22 O ATOM 1518 OE2 GLU A 94 3.342 3.590 21.065 1.00 33.41 O ATOM 0 H GLU A 94 7.372 5.770 19.308 1.00 0.04 H new ATOM 0 HA GLU A 94 5.799 6.270 17.049 1.00 22.25 H new ATOM 0 HB2 GLU A 94 4.042 5.036 18.337 1.00 50.11 H new ATOM 0 HB3 GLU A 94 5.591 4.219 18.295 1.00 50.11 H new ATOM 0 HG2 GLU A 94 6.081 5.158 20.587 1.00 44.43 H new ATOM 0 HG3 GLU A 94 4.456 5.813 20.620 1.00 44.43 H new ATOM 1525 N LEU A 95 4.595 8.389 17.386 1.00 72.54 N ATOM 1526 CA LEU A 95 3.838 9.640 17.516 1.00 70.13 C ATOM 1527 C LEU A 95 2.324 9.370 17.516 1.00 53.33 C ATOM 1528 O LEU A 95 1.603 9.817 18.412 1.00 65.11 O ATOM 1529 CB LEU A 95 4.229 10.597 16.367 1.00 74.42 C ATOM 1530 CG LEU A 95 3.796 12.079 16.506 1.00 63.34 C ATOM 1531 CD1 LEU A 95 2.298 12.265 16.262 1.00 54.00 C ATOM 1532 CD2 LEU A 95 4.190 12.629 17.877 1.00 41.50 C ATOM 0 H LEU A 95 4.899 8.185 16.434 1.00 72.54 H new ATOM 0 HA LEU A 95 4.085 10.108 18.469 1.00 70.13 H new ATOM 0 HB2 LEU A 95 5.313 10.570 16.258 1.00 74.42 H new ATOM 0 HB3 LEU A 95 3.806 10.206 15.442 1.00 74.42 H new ATOM 0 HG LEU A 95 4.322 12.643 15.736 1.00 63.34 H new ATOM 0 HD11 LEU A 95 2.040 13.318 16.370 1.00 54.00 H new ATOM 0 HD12 LEU A 95 2.049 11.932 15.254 1.00 54.00 H new ATOM 0 HD13 LEU A 95 1.735 11.678 16.988 1.00 54.00 H new ATOM 0 HD21 LEU A 95 3.877 13.670 17.955 1.00 41.50 H new ATOM 0 HD22 LEU A 95 3.703 12.045 18.657 1.00 41.50 H new ATOM 0 HD23 LEU A 95 5.271 12.565 17.998 1.00 41.50 H new ATOM 1544 N ALA A 96 1.847 8.642 16.508 1.00 12.52 N ATOM 1545 CA ALA A 96 0.414 8.347 16.378 1.00 11.43 C ATOM 1546 C ALA A 96 0.166 6.967 15.755 1.00 35.14 C ATOM 1547 O ALA A 96 1.079 6.337 15.213 1.00 12.03 O ATOM 1548 CB ALA A 96 -0.283 9.429 15.565 1.00 11.24 C ATOM 0 H ALA A 96 2.427 8.245 15.769 1.00 12.52 H new ATOM 0 HA ALA A 96 -0.007 8.333 17.384 1.00 11.43 H new ATOM 0 HB1 ALA A 96 -1.344 9.193 15.479 1.00 11.24 H new ATOM 0 HB2 ALA A 96 -0.164 10.391 16.063 1.00 11.24 H new ATOM 0 HB3 ALA A 96 0.159 9.478 14.570 1.00 11.24 H new ATOM 1554 N SER A 97 -1.082 6.509 15.821 1.00 54.02 N ATOM 1555 CA SER A 97 -1.434 5.164 15.353 1.00 21.54 C ATOM 1556 C SER A 97 -1.665 5.105 13.835 1.00 0.20 C ATOM 1557 O SER A 97 -2.732 5.471 13.333 1.00 63.44 O ATOM 1558 CB SER A 97 -2.678 4.639 16.083 1.00 72.52 C ATOM 1559 OG SER A 97 -2.955 3.292 15.723 1.00 33.14 O ATOM 0 H SER A 97 -1.867 7.045 16.192 1.00 54.02 H new ATOM 0 HA SER A 97 -0.579 4.528 15.582 1.00 21.54 H new ATOM 0 HB2 SER A 97 -2.526 4.706 17.160 1.00 72.52 H new ATOM 0 HB3 SER A 97 -3.536 5.266 15.842 1.00 72.52 H new ATOM 0 HG SER A 97 -3.751 2.982 16.203 1.00 33.14 H new ATOM 1565 N LEU A 98 -0.641 4.663 13.111 1.00 23.30 N ATOM 1566 CA LEU A 98 -0.764 4.349 11.682 1.00 40.31 C ATOM 1567 C LEU A 98 -0.955 2.835 11.517 1.00 20.23 C ATOM 1568 O LEU A 98 0.008 2.077 11.561 1.00 24.43 O ATOM 1569 CB LEU A 98 0.492 4.822 10.927 1.00 20.02 C ATOM 1570 CG LEU A 98 0.535 4.521 9.417 1.00 22.34 C ATOM 1571 CD1 LEU A 98 -0.632 5.177 8.686 1.00 34.23 C ATOM 1572 CD2 LEU A 98 1.868 4.975 8.820 1.00 13.21 C ATOM 0 H LEU A 98 0.294 4.512 13.491 1.00 23.30 H new ATOM 0 HA LEU A 98 -1.627 4.867 11.264 1.00 40.31 H new ATOM 0 HB2 LEU A 98 0.588 5.899 11.064 1.00 20.02 H new ATOM 0 HB3 LEU A 98 1.364 4.363 11.392 1.00 20.02 H new ATOM 0 HG LEU A 98 0.443 3.443 9.288 1.00 22.34 H new ATOM 0 HD11 LEU A 98 -0.572 4.945 7.623 1.00 34.23 H new ATOM 0 HD12 LEU A 98 -1.572 4.798 9.088 1.00 34.23 H new ATOM 0 HD13 LEU A 98 -0.587 6.257 8.825 1.00 34.23 H new ATOM 0 HD21 LEU A 98 1.882 4.755 7.752 1.00 13.21 H new ATOM 0 HD22 LEU A 98 1.988 6.048 8.971 1.00 13.21 H new ATOM 0 HD23 LEU A 98 2.685 4.446 9.310 1.00 13.21 H new ATOM 1584 N GLN A 99 -2.201 2.396 11.364 1.00 75.35 N ATOM 1585 CA GLN A 99 -2.521 0.961 11.389 1.00 3.13 C ATOM 1586 C GLN A 99 -2.403 0.284 10.016 1.00 42.32 C ATOM 1587 O GLN A 99 -2.041 0.908 9.017 1.00 14.43 O ATOM 1588 CB GLN A 99 -3.927 0.748 11.963 1.00 24.41 C ATOM 1589 CG GLN A 99 -4.004 0.966 13.469 1.00 22.22 C ATOM 1590 CD GLN A 99 -5.399 0.746 14.020 1.00 22.24 C ATOM 1591 OE1 GLN A 99 -6.193 1.674 14.132 1.00 53.31 O ATOM 1592 NE2 GLN A 99 -5.717 -0.490 14.346 1.00 11.31 N ATOM 0 H GLN A 99 -3.006 3.005 11.222 1.00 75.35 H new ATOM 0 HA GLN A 99 -1.777 0.488 12.030 1.00 3.13 H new ATOM 0 HB2 GLN A 99 -4.620 1.429 11.469 1.00 24.41 H new ATOM 0 HB3 GLN A 99 -4.256 -0.265 11.733 1.00 24.41 H new ATOM 0 HG2 GLN A 99 -3.310 0.288 13.966 1.00 22.22 H new ATOM 0 HG3 GLN A 99 -3.681 1.981 13.702 1.00 22.22 H new ATOM 0 HE21 GLN A 99 -5.032 -1.238 14.240 1.00 11.31 H new ATOM 0 HE22 GLN A 99 -6.649 -0.699 14.704 1.00 11.31 H new ATOM 1601 N GLU A 100 -2.711 -1.012 9.999 1.00 11.32 N ATOM 1602 CA GLU A 100 -2.602 -1.836 8.793 1.00 22.45 C ATOM 1603 C GLU A 100 -3.744 -1.575 7.795 1.00 35.11 C ATOM 1604 O GLU A 100 -4.828 -1.114 8.160 1.00 72.14 O ATOM 1605 CB GLU A 100 -2.580 -3.331 9.162 1.00 34.25 C ATOM 1606 CG GLU A 100 -3.784 -3.796 9.991 1.00 32.22 C ATOM 1607 CD GLU A 100 -3.505 -3.847 11.492 1.00 63.44 C ATOM 1608 OE1 GLU A 100 -3.429 -2.779 12.131 1.00 71.50 O ATOM 1609 OE2 GLU A 100 -3.354 -4.963 12.035 1.00 62.22 O ATOM 0 H GLU A 100 -3.043 -1.521 10.818 1.00 11.32 H new ATOM 0 HA GLU A 100 -1.666 -1.558 8.309 1.00 22.45 H new ATOM 0 HB2 GLU A 100 -2.537 -3.919 8.245 1.00 34.25 H new ATOM 0 HB3 GLU A 100 -1.667 -3.542 9.719 1.00 34.25 H new ATOM 0 HG2 GLU A 100 -4.623 -3.124 9.808 1.00 32.22 H new ATOM 0 HG3 GLU A 100 -4.088 -4.786 9.652 1.00 32.22 H new ATOM 1616 N ILE A 101 -3.484 -1.897 6.530 1.00 15.21 N ATOM 1617 CA ILE A 101 -4.461 -1.733 5.451 1.00 3.23 C ATOM 1618 C ILE A 101 -4.836 -3.093 4.841 1.00 11.02 C ATOM 1619 O ILE A 101 -3.976 -3.789 4.295 1.00 10.15 O ATOM 1620 CB ILE A 101 -3.892 -0.821 4.333 1.00 71.02 C ATOM 1621 CG1 ILE A 101 -3.354 0.486 4.935 1.00 51.22 C ATOM 1622 CG2 ILE A 101 -4.956 -0.531 3.272 1.00 3.51 C ATOM 1623 CD1 ILE A 101 -2.618 1.356 3.940 1.00 64.31 C ATOM 0 H ILE A 101 -2.590 -2.279 6.222 1.00 15.21 H new ATOM 0 HA ILE A 101 -5.351 -1.273 5.880 1.00 3.23 H new ATOM 0 HB ILE A 101 -3.068 -1.344 3.848 1.00 71.02 H new ATOM 0 HG12 ILE A 101 -4.186 1.052 5.354 1.00 51.22 H new ATOM 0 HG13 ILE A 101 -2.684 0.247 5.761 1.00 51.22 H new ATOM 0 HG21 ILE A 101 -4.533 0.110 2.499 1.00 3.51 H new ATOM 0 HG22 ILE A 101 -5.289 -1.468 2.825 1.00 3.51 H new ATOM 0 HG23 ILE A 101 -5.805 -0.029 3.736 1.00 3.51 H new ATOM 0 HD11 ILE A 101 -2.267 2.261 4.437 1.00 64.31 H new ATOM 0 HD12 ILE A 101 -1.765 0.808 3.539 1.00 64.31 H new ATOM 0 HD13 ILE A 101 -3.291 1.627 3.126 1.00 64.31 H new ATOM 1635 N ARG A 102 -6.109 -3.472 4.947 1.00 33.20 N ATOM 1636 CA ARG A 102 -6.593 -4.741 4.383 1.00 51.34 C ATOM 1637 C ARG A 102 -7.330 -4.522 3.046 1.00 65.23 C ATOM 1638 O ARG A 102 -8.483 -4.092 3.014 1.00 21.11 O ATOM 1639 CB ARG A 102 -7.505 -5.466 5.394 1.00 42.52 C ATOM 1640 CG ARG A 102 -8.690 -4.635 5.890 1.00 54.32 C ATOM 1641 CD ARG A 102 -9.510 -5.376 6.944 1.00 22.42 C ATOM 1642 NE ARG A 102 -10.086 -6.624 6.432 1.00 75.40 N ATOM 1643 CZ ARG A 102 -11.067 -7.268 7.007 1.00 13.40 C ATOM 1644 NH1 ARG A 102 -11.585 -6.831 8.110 1.00 63.00 N ATOM 1645 NH2 ARG A 102 -11.517 -8.362 6.485 1.00 11.12 N ATOM 0 H ARG A 102 -6.827 -2.921 5.417 1.00 33.20 H new ATOM 0 HA ARG A 102 -5.725 -5.369 4.181 1.00 51.34 H new ATOM 0 HB2 ARG A 102 -7.885 -6.378 4.933 1.00 42.52 H new ATOM 0 HB3 ARG A 102 -6.906 -5.769 6.252 1.00 42.52 H new ATOM 0 HG2 ARG A 102 -8.325 -3.697 6.309 1.00 54.32 H new ATOM 0 HG3 ARG A 102 -9.331 -4.379 5.046 1.00 54.32 H new ATOM 0 HD2 ARG A 102 -8.877 -5.597 7.803 1.00 22.42 H new ATOM 0 HD3 ARG A 102 -10.312 -4.728 7.298 1.00 22.42 H new ATOM 0 HE ARG A 102 -9.697 -7.014 5.574 1.00 75.40 H new ATOM 0 HH11 ARG A 102 -11.228 -5.977 8.538 1.00 63.00 H new ATOM 0 HH12 ARG A 102 -12.350 -7.341 8.551 1.00 63.00 H new ATOM 0 HH21 ARG A 102 -11.106 -8.723 5.624 1.00 11.12 H new ATOM 0 HH22 ARG A 102 -12.283 -8.864 6.934 1.00 11.12 H new ATOM 1659 N LEU A 103 -6.648 -4.818 1.938 1.00 75.34 N ATOM 1660 CA LEU A 103 -7.225 -4.638 0.597 1.00 21.41 C ATOM 1661 C LEU A 103 -7.434 -5.979 -0.118 1.00 12.45 C ATOM 1662 O LEU A 103 -6.572 -6.856 -0.076 1.00 63.22 O ATOM 1663 CB LEU A 103 -6.309 -3.747 -0.255 1.00 23.22 C ATOM 1664 CG LEU A 103 -6.073 -2.333 0.295 1.00 30.32 C ATOM 1665 CD1 LEU A 103 -5.085 -1.575 -0.580 1.00 35.53 C ATOM 1666 CD2 LEU A 103 -7.389 -1.568 0.408 1.00 25.31 C ATOM 0 H LEU A 103 -5.696 -5.183 1.939 1.00 75.34 H new ATOM 0 HA LEU A 103 -8.198 -4.163 0.722 1.00 21.41 H new ATOM 0 HB2 LEU A 103 -5.344 -4.243 -0.362 1.00 23.22 H new ATOM 0 HB3 LEU A 103 -6.737 -3.664 -1.254 1.00 23.22 H new ATOM 0 HG LEU A 103 -5.647 -2.424 1.294 1.00 30.32 H new ATOM 0 HD11 LEU A 103 -4.931 -0.575 -0.173 1.00 35.53 H new ATOM 0 HD12 LEU A 103 -4.135 -2.108 -0.601 1.00 35.53 H new ATOM 0 HD13 LEU A 103 -5.481 -1.498 -1.593 1.00 35.53 H new ATOM 0 HD21 LEU A 103 -7.197 -0.569 0.800 1.00 25.31 H new ATOM 0 HD22 LEU A 103 -7.850 -1.489 -0.577 1.00 25.31 H new ATOM 0 HD23 LEU A 103 -8.062 -2.099 1.082 1.00 25.31 H new ATOM 1678 N THR A 104 -8.582 -6.128 -0.779 1.00 52.34 N ATOM 1679 CA THR A 104 -8.879 -7.330 -1.580 1.00 23.13 C ATOM 1680 C THR A 104 -9.286 -6.963 -3.016 1.00 13.13 C ATOM 1681 O THR A 104 -9.732 -5.843 -3.281 1.00 21.41 O ATOM 1682 CB THR A 104 -10.013 -8.180 -0.954 1.00 51.21 C ATOM 1683 OG1 THR A 104 -11.211 -7.395 -0.830 1.00 4.44 O ATOM 1684 CG2 THR A 104 -9.610 -8.722 0.413 1.00 72.23 C ATOM 0 H THR A 104 -9.328 -5.432 -0.779 1.00 52.34 H new ATOM 0 HA THR A 104 -7.959 -7.914 -1.595 1.00 23.13 H new ATOM 0 HB THR A 104 -10.199 -9.026 -1.616 1.00 51.21 H new ATOM 0 HG1 THR A 104 -11.921 -7.942 -0.435 1.00 4.44 H new ATOM 0 HG21 THR A 104 -10.427 -9.314 0.825 1.00 72.23 H new ATOM 0 HG22 THR A 104 -8.724 -9.349 0.309 1.00 72.23 H new ATOM 0 HG23 THR A 104 -9.390 -7.891 1.083 1.00 72.23 H new ATOM 1692 N ARG A 105 -9.123 -7.906 -3.943 1.00 34.24 N ATOM 1693 CA ARG A 105 -9.516 -7.703 -5.343 1.00 32.13 C ATOM 1694 C ARG A 105 -9.816 -9.057 -6.006 1.00 53.51 C ATOM 1695 O ARG A 105 -9.082 -10.022 -5.810 1.00 23.12 O ATOM 1696 CB ARG A 105 -8.395 -6.971 -6.105 1.00 21.12 C ATOM 1697 CG ARG A 105 -8.884 -6.023 -7.199 1.00 43.45 C ATOM 1698 CD ARG A 105 -9.715 -4.873 -6.624 1.00 70.41 C ATOM 1699 NE ARG A 105 -9.074 -4.260 -5.455 1.00 11.23 N ATOM 1700 CZ ARG A 105 -8.758 -2.996 -5.350 1.00 2.15 C ATOM 1701 NH1 ARG A 105 -9.026 -2.164 -6.302 1.00 43.21 N ATOM 1702 NH2 ARG A 105 -8.184 -2.562 -4.274 1.00 14.21 N ATOM 0 H ARG A 105 -8.720 -8.823 -3.752 1.00 34.24 H new ATOM 0 HA ARG A 105 -10.417 -7.090 -5.374 1.00 32.13 H new ATOM 0 HB2 ARG A 105 -7.799 -6.404 -5.391 1.00 21.12 H new ATOM 0 HB3 ARG A 105 -7.734 -7.713 -6.554 1.00 21.12 H new ATOM 0 HG2 ARG A 105 -8.028 -5.618 -7.739 1.00 43.45 H new ATOM 0 HG3 ARG A 105 -9.483 -6.579 -7.921 1.00 43.45 H new ATOM 0 HD2 ARG A 105 -9.866 -4.115 -7.393 1.00 70.41 H new ATOM 0 HD3 ARG A 105 -10.701 -5.244 -6.344 1.00 70.41 H new ATOM 0 HE ARG A 105 -8.859 -4.867 -4.664 1.00 11.23 H new ATOM 0 HH11 ARG A 105 -9.490 -2.491 -7.149 1.00 43.21 H new ATOM 0 HH12 ARG A 105 -8.773 -1.180 -6.206 1.00 43.21 H new ATOM 0 HH21 ARG A 105 -7.979 -3.206 -3.510 1.00 14.21 H new ATOM 0 HH22 ARG A 105 -7.937 -1.576 -4.190 1.00 14.21 H new ATOM 1716 N ILE A 106 -10.892 -9.133 -6.780 1.00 53.11 N ATOM 1717 CA ILE A 106 -11.314 -10.410 -7.372 1.00 0.21 C ATOM 1718 C ILE A 106 -10.814 -10.585 -8.814 1.00 65.04 C ATOM 1719 O ILE A 106 -11.208 -9.847 -9.720 1.00 72.15 O ATOM 1720 CB ILE A 106 -12.856 -10.559 -7.338 1.00 11.54 C ATOM 1721 CG1 ILE A 106 -13.364 -10.467 -5.889 1.00 52.50 C ATOM 1722 CG2 ILE A 106 -13.299 -11.875 -7.987 1.00 0.52 C ATOM 1723 CD1 ILE A 106 -12.720 -11.465 -4.944 1.00 34.53 C ATOM 0 H ILE A 106 -11.487 -8.338 -7.014 1.00 53.11 H new ATOM 0 HA ILE A 106 -10.860 -11.192 -6.763 1.00 0.21 H new ATOM 0 HB ILE A 106 -13.292 -9.743 -7.915 1.00 11.54 H new ATOM 0 HG12 ILE A 106 -13.183 -9.459 -5.515 1.00 52.50 H new ATOM 0 HG13 ILE A 106 -14.443 -10.621 -5.883 1.00 52.50 H new ATOM 0 HG21 ILE A 106 -14.386 -11.952 -7.949 1.00 0.52 H new ATOM 0 HG22 ILE A 106 -12.970 -11.897 -9.026 1.00 0.52 H new ATOM 0 HG23 ILE A 106 -12.857 -12.713 -7.449 1.00 0.52 H new ATOM 0 HD11 ILE A 106 -13.131 -11.336 -3.943 1.00 34.53 H new ATOM 0 HD12 ILE A 106 -12.922 -12.478 -5.292 1.00 34.53 H new ATOM 0 HD13 ILE A 106 -11.643 -11.299 -4.918 1.00 34.53 H new ATOM 1735 N LEU A 107 -9.940 -11.569 -9.014 1.00 64.12 N ATOM 1736 CA LEU A 107 -9.457 -11.936 -10.349 1.00 63.35 C ATOM 1737 C LEU A 107 -10.191 -13.207 -10.823 1.00 41.21 C ATOM 1738 O LEU A 107 -9.949 -14.296 -10.306 1.00 34.23 O ATOM 1739 CB LEU A 107 -7.927 -12.160 -10.298 1.00 60.22 C ATOM 1740 CG LEU A 107 -7.174 -12.198 -11.652 1.00 25.43 C ATOM 1741 CD1 LEU A 107 -7.455 -13.483 -12.428 1.00 55.15 C ATOM 1742 CD2 LEU A 107 -7.519 -10.975 -12.501 1.00 1.32 C ATOM 0 H LEU A 107 -9.547 -12.134 -8.261 1.00 64.12 H new ATOM 0 HA LEU A 107 -9.662 -11.134 -11.059 1.00 63.35 H new ATOM 0 HB2 LEU A 107 -7.489 -11.369 -9.690 1.00 60.22 H new ATOM 0 HB3 LEU A 107 -7.740 -13.101 -9.780 1.00 60.22 H new ATOM 0 HG LEU A 107 -6.108 -12.178 -11.426 1.00 25.43 H new ATOM 0 HD11 LEU A 107 -6.907 -13.466 -13.370 1.00 55.15 H new ATOM 0 HD12 LEU A 107 -7.136 -14.342 -11.838 1.00 55.15 H new ATOM 0 HD13 LEU A 107 -8.523 -13.559 -12.631 1.00 55.15 H new ATOM 0 HD21 LEU A 107 -6.978 -11.024 -13.446 1.00 1.32 H new ATOM 0 HD22 LEU A 107 -8.591 -10.959 -12.696 1.00 1.32 H new ATOM 0 HD23 LEU A 107 -7.234 -10.069 -11.967 1.00 1.32 H new ATOM 1754 N PRO A 108 -11.109 -13.091 -11.803 1.00 61.55 N ATOM 1755 CA PRO A 108 -11.930 -14.236 -12.255 1.00 35.44 C ATOM 1756 C PRO A 108 -11.102 -15.373 -12.885 1.00 20.11 C ATOM 1757 O PRO A 108 -9.936 -15.189 -13.245 1.00 24.51 O ATOM 1758 CB PRO A 108 -12.868 -13.607 -13.298 1.00 54.32 C ATOM 1759 CG PRO A 108 -12.159 -12.374 -13.756 1.00 34.05 C ATOM 1760 CD PRO A 108 -11.414 -11.860 -12.555 1.00 72.43 C ATOM 0 HA PRO A 108 -12.445 -14.712 -11.420 1.00 35.44 H new ATOM 0 HB2 PRO A 108 -13.051 -14.289 -14.128 1.00 54.32 H new ATOM 0 HB3 PRO A 108 -13.838 -13.367 -12.863 1.00 54.32 H new ATOM 0 HG2 PRO A 108 -11.475 -12.598 -14.574 1.00 34.05 H new ATOM 0 HG3 PRO A 108 -12.866 -11.631 -14.125 1.00 34.05 H new ATOM 0 HD2 PRO A 108 -10.508 -11.326 -12.840 1.00 72.43 H new ATOM 0 HD3 PRO A 108 -12.020 -11.169 -11.969 1.00 72.43 H new ATOM 1768 N PHE A 109 -11.705 -16.560 -13.003 1.00 24.21 N ATOM 1769 CA PHE A 109 -11.044 -17.693 -13.657 1.00 74.33 C ATOM 1770 C PHE A 109 -10.851 -17.412 -15.155 1.00 30.23 C ATOM 1771 O PHE A 109 -11.779 -17.561 -15.958 1.00 42.34 O ATOM 1772 CB PHE A 109 -11.853 -18.984 -13.452 1.00 53.02 C ATOM 1773 CG PHE A 109 -11.215 -20.208 -14.065 1.00 40.55 C ATOM 1774 CD1 PHE A 109 -10.036 -20.724 -13.544 1.00 4.24 C ATOM 1775 CD2 PHE A 109 -11.796 -20.845 -15.154 1.00 60.42 C ATOM 1776 CE1 PHE A 109 -9.450 -21.846 -14.097 1.00 31.41 C ATOM 1777 CE2 PHE A 109 -11.213 -21.968 -15.710 1.00 42.13 C ATOM 1778 CZ PHE A 109 -10.040 -22.468 -15.180 1.00 75.23 C ATOM 0 H PHE A 109 -12.643 -16.760 -12.657 1.00 24.21 H new ATOM 0 HA PHE A 109 -10.063 -17.827 -13.201 1.00 74.33 H new ATOM 0 HB2 PHE A 109 -11.986 -19.152 -12.383 1.00 53.02 H new ATOM 0 HB3 PHE A 109 -12.847 -18.851 -13.880 1.00 53.02 H new ATOM 0 HD1 PHE A 109 -9.572 -20.242 -12.696 1.00 4.24 H new ATOM 0 HD2 PHE A 109 -12.714 -20.458 -15.571 1.00 60.42 H new ATOM 0 HE1 PHE A 109 -8.532 -22.236 -13.683 1.00 31.41 H new ATOM 0 HE2 PHE A 109 -11.674 -22.454 -16.557 1.00 42.13 H new ATOM 0 HZ PHE A 109 -9.584 -23.346 -15.613 1.00 75.23 H new ATOM 1788 N LEU A 110 -9.649 -16.977 -15.516 1.00 34.42 N ATOM 1789 CA LEU A 110 -9.330 -16.626 -16.897 1.00 62.32 C ATOM 1790 C LEU A 110 -8.501 -17.726 -17.576 1.00 61.24 C ATOM 1791 O LEU A 110 -7.268 -17.691 -17.568 1.00 33.14 O ATOM 1792 CB LEU A 110 -8.573 -15.288 -16.939 1.00 64.13 C ATOM 1793 CG LEU A 110 -9.332 -14.085 -16.346 1.00 20.34 C ATOM 1794 CD1 LEU A 110 -8.449 -12.838 -16.337 1.00 1.45 C ATOM 1795 CD2 LEU A 110 -10.623 -13.828 -17.120 1.00 55.30 C ATOM 0 H LEU A 110 -8.872 -16.858 -14.866 1.00 34.42 H new ATOM 0 HA LEU A 110 -10.267 -16.526 -17.445 1.00 62.32 H new ATOM 0 HB2 LEU A 110 -7.632 -15.404 -16.401 1.00 64.13 H new ATOM 0 HB3 LEU A 110 -8.322 -15.063 -17.976 1.00 64.13 H new ATOM 0 HG LEU A 110 -9.594 -14.322 -15.315 1.00 20.34 H new ATOM 0 HD11 LEU A 110 -9.005 -12.001 -15.914 1.00 1.45 H new ATOM 0 HD12 LEU A 110 -7.561 -13.025 -15.733 1.00 1.45 H new ATOM 0 HD13 LEU A 110 -8.150 -12.597 -17.357 1.00 1.45 H new ATOM 0 HD21 LEU A 110 -11.144 -12.975 -16.686 1.00 55.30 H new ATOM 0 HD22 LEU A 110 -10.386 -13.616 -18.163 1.00 55.30 H new ATOM 0 HD23 LEU A 110 -11.262 -14.710 -17.065 1.00 55.30 H new ATOM 1807 N ASP A 111 -9.184 -18.725 -18.127 1.00 4.45 N ATOM 1808 CA ASP A 111 -8.527 -19.776 -18.907 1.00 41.50 C ATOM 1809 C ASP A 111 -8.497 -19.388 -20.395 1.00 2.34 C ATOM 1810 O ASP A 111 -9.384 -18.678 -20.866 1.00 54.34 O ATOM 1811 CB ASP A 111 -9.256 -21.107 -18.706 1.00 63.22 C ATOM 1812 CG ASP A 111 -8.548 -22.261 -19.390 1.00 1.22 C ATOM 1813 OD1 ASP A 111 -7.433 -22.617 -18.960 1.00 72.21 O ATOM 1814 OD2 ASP A 111 -9.095 -22.813 -20.365 1.00 65.30 O ATOM 0 H ASP A 111 -10.195 -18.831 -18.049 1.00 4.45 H new ATOM 0 HA ASP A 111 -7.499 -19.890 -18.562 1.00 41.50 H new ATOM 0 HB2 ASP A 111 -9.339 -21.316 -17.639 1.00 63.22 H new ATOM 0 HB3 ASP A 111 -10.271 -21.025 -19.095 1.00 63.22 H new ATOM 1819 N ALA A 112 -7.475 -19.846 -21.125 1.00 44.30 N ATOM 1820 CA ALA A 112 -7.276 -19.440 -22.528 1.00 53.45 C ATOM 1821 C ALA A 112 -7.076 -17.916 -22.640 1.00 75.21 C ATOM 1822 O ALA A 112 -7.266 -17.318 -23.702 1.00 12.31 O ATOM 1823 CB ALA A 112 -8.448 -19.899 -23.395 1.00 64.11 C ATOM 0 H ALA A 112 -6.772 -20.496 -20.773 1.00 44.30 H new ATOM 0 HA ALA A 112 -6.371 -19.924 -22.894 1.00 53.45 H new ATOM 0 HB1 ALA A 112 -8.281 -19.589 -24.427 1.00 64.11 H new ATOM 0 HB2 ALA A 112 -8.530 -20.985 -23.351 1.00 64.11 H new ATOM 0 HB3 ALA A 112 -9.371 -19.451 -23.026 1.00 64.11 H new ATOM 1829 N GLN A 113 -6.664 -17.306 -21.528 1.00 61.35 N ATOM 1830 CA GLN A 113 -6.485 -15.854 -21.439 1.00 3.21 C ATOM 1831 C GLN A 113 -5.115 -15.497 -20.841 1.00 32.23 C ATOM 1832 O GLN A 113 -5.004 -14.596 -20.002 1.00 64.12 O ATOM 1833 CB GLN A 113 -7.610 -15.237 -20.587 1.00 71.12 C ATOM 1834 CG GLN A 113 -8.974 -15.189 -21.276 1.00 32.11 C ATOM 1835 CD GLN A 113 -9.037 -14.182 -22.420 1.00 75.14 C ATOM 1836 OE1 GLN A 113 -8.046 -13.910 -23.091 1.00 50.32 O ATOM 1837 NE2 GLN A 113 -10.203 -13.610 -22.645 1.00 52.32 N ATOM 0 H GLN A 113 -6.445 -17.802 -20.664 1.00 61.35 H new ATOM 0 HA GLN A 113 -6.530 -15.444 -22.448 1.00 3.21 H new ATOM 0 HB2 GLN A 113 -7.704 -15.808 -19.663 1.00 71.12 H new ATOM 0 HB3 GLN A 113 -7.322 -14.223 -20.307 1.00 71.12 H new ATOM 0 HG2 GLN A 113 -9.214 -16.180 -21.660 1.00 32.11 H new ATOM 0 HG3 GLN A 113 -9.737 -14.939 -20.539 1.00 32.11 H new ATOM 0 HE21 GLN A 113 -11.010 -13.855 -22.072 1.00 52.32 H new ATOM 0 HE22 GLN A 113 -10.298 -12.922 -23.392 1.00 52.32 H new ATOM 1846 N GLU A 114 -4.073 -16.197 -21.292 1.00 30.51 N ATOM 1847 CA GLU A 114 -2.689 -15.932 -20.858 1.00 0.34 C ATOM 1848 C GLU A 114 -2.354 -14.428 -20.889 1.00 73.13 C ATOM 1849 O GLU A 114 -1.663 -13.916 -20.006 1.00 12.25 O ATOM 1850 CB GLU A 114 -1.706 -16.715 -21.746 1.00 71.10 C ATOM 1851 CG GLU A 114 -1.826 -16.397 -23.237 1.00 20.34 C ATOM 1852 CD GLU A 114 -0.937 -17.276 -24.106 1.00 42.43 C ATOM 1853 OE1 GLU A 114 -1.360 -18.398 -24.455 1.00 33.25 O ATOM 1854 OE2 GLU A 114 0.183 -16.849 -24.451 1.00 35.43 O ATOM 0 H GLU A 114 -4.157 -16.960 -21.964 1.00 30.51 H new ATOM 0 HA GLU A 114 -2.593 -16.265 -19.825 1.00 0.34 H new ATOM 0 HB2 GLU A 114 -0.688 -16.501 -21.420 1.00 71.10 H new ATOM 0 HB3 GLU A 114 -1.870 -17.782 -21.598 1.00 71.10 H new ATOM 0 HG2 GLU A 114 -2.864 -16.520 -23.547 1.00 20.34 H new ATOM 0 HG3 GLU A 114 -1.566 -15.351 -23.402 1.00 20.34 H new ATOM 1861 N LEU A 115 -2.865 -13.729 -21.903 1.00 45.11 N ATOM 1862 CA LEU A 115 -2.676 -12.280 -22.031 1.00 3.33 C ATOM 1863 C LEU A 115 -3.371 -11.535 -20.874 1.00 12.10 C ATOM 1864 O LEU A 115 -2.790 -10.642 -20.257 1.00 1.22 O ATOM 1865 CB LEU A 115 -3.225 -11.812 -23.397 1.00 11.11 C ATOM 1866 CG LEU A 115 -2.788 -10.412 -23.889 1.00 70.31 C ATOM 1867 CD1 LEU A 115 -3.432 -9.290 -23.074 1.00 45.13 C ATOM 1868 CD2 LEU A 115 -1.267 -10.286 -23.868 1.00 3.34 C ATOM 0 H LEU A 115 -3.417 -14.145 -22.653 1.00 45.11 H new ATOM 0 HA LEU A 115 -1.612 -12.051 -21.978 1.00 3.33 H new ATOM 0 HB2 LEU A 115 -2.928 -12.543 -24.149 1.00 11.11 H new ATOM 0 HB3 LEU A 115 -4.314 -11.829 -23.348 1.00 11.11 H new ATOM 0 HG LEU A 115 -3.136 -10.307 -24.917 1.00 70.31 H new ATOM 0 HD11 LEU A 115 -3.097 -8.325 -23.455 1.00 45.13 H new ATOM 0 HD12 LEU A 115 -4.517 -9.356 -23.158 1.00 45.13 H new ATOM 0 HD13 LEU A 115 -3.142 -9.388 -22.028 1.00 45.13 H new ATOM 0 HD21 LEU A 115 -0.979 -9.294 -24.217 1.00 3.34 H new ATOM 0 HD22 LEU A 115 -0.904 -10.432 -22.851 1.00 3.34 H new ATOM 0 HD23 LEU A 115 -0.830 -11.042 -24.521 1.00 3.34 H new ATOM 1880 N ALA A 116 -4.609 -11.924 -20.577 1.00 23.04 N ATOM 1881 CA ALA A 116 -5.401 -11.272 -19.527 1.00 51.31 C ATOM 1882 C ALA A 116 -4.753 -11.418 -18.141 1.00 4.20 C ATOM 1883 O ALA A 116 -4.641 -10.449 -17.390 1.00 0.32 O ATOM 1884 CB ALA A 116 -6.816 -11.835 -19.512 1.00 22.33 C ATOM 0 H ALA A 116 -5.090 -12.690 -21.048 1.00 23.04 H new ATOM 0 HA ALA A 116 -5.439 -10.207 -19.757 1.00 51.31 H new ATOM 0 HB1 ALA A 116 -7.395 -11.344 -18.729 1.00 22.33 H new ATOM 0 HB2 ALA A 116 -7.289 -11.657 -20.478 1.00 22.33 H new ATOM 0 HB3 ALA A 116 -6.779 -12.907 -19.318 1.00 22.33 H new ATOM 1890 N LYS A 117 -4.318 -12.632 -17.809 1.00 34.50 N ATOM 1891 CA LYS A 117 -3.661 -12.889 -16.519 1.00 72.13 C ATOM 1892 C LYS A 117 -2.274 -12.231 -16.435 1.00 52.44 C ATOM 1893 O LYS A 117 -1.705 -12.104 -15.353 1.00 10.44 O ATOM 1894 CB LYS A 117 -3.548 -14.392 -16.261 1.00 42.13 C ATOM 1895 CG LYS A 117 -4.903 -15.082 -16.114 1.00 43.20 C ATOM 1896 CD LYS A 117 -4.840 -16.294 -15.185 1.00 71.10 C ATOM 1897 CE LYS A 117 -4.583 -15.894 -13.730 1.00 62.13 C ATOM 1898 NZ LYS A 117 -3.175 -15.480 -13.480 1.00 61.21 N ATOM 0 H LYS A 117 -4.406 -13.452 -18.409 1.00 34.50 H new ATOM 0 HA LYS A 117 -4.286 -12.440 -15.747 1.00 72.13 H new ATOM 0 HB2 LYS A 117 -2.999 -14.854 -17.082 1.00 42.13 H new ATOM 0 HB3 LYS A 117 -2.964 -14.556 -15.355 1.00 42.13 H new ATOM 0 HG2 LYS A 117 -5.631 -14.369 -15.728 1.00 43.20 H new ATOM 0 HG3 LYS A 117 -5.256 -15.398 -17.096 1.00 43.20 H new ATOM 0 HD2 LYS A 117 -5.777 -16.847 -15.248 1.00 71.10 H new ATOM 0 HD3 LYS A 117 -4.050 -16.966 -15.520 1.00 71.10 H new ATOM 0 HE2 LYS A 117 -5.250 -15.075 -13.461 1.00 62.13 H new ATOM 0 HE3 LYS A 117 -4.830 -16.733 -13.079 1.00 62.13 H new ATOM 0 HZ1 LYS A 117 -2.800 -16.002 -12.663 1.00 61.21 H new ATOM 0 HZ2 LYS A 117 -2.597 -15.689 -14.319 1.00 61.21 H new ATOM 0 HZ3 LYS A 117 -3.143 -14.459 -13.283 1.00 61.21 H new ATOM 1912 N ALA A 118 -1.733 -11.830 -17.580 1.00 54.52 N ATOM 1913 CA ALA A 118 -0.467 -11.092 -17.619 1.00 73.20 C ATOM 1914 C ALA A 118 -0.702 -9.578 -17.491 1.00 35.55 C ATOM 1915 O ALA A 118 0.013 -8.885 -16.770 1.00 25.31 O ATOM 1916 CB ALA A 118 0.286 -11.407 -18.907 1.00 2.11 C ATOM 0 H ALA A 118 -2.148 -12.002 -18.496 1.00 54.52 H new ATOM 0 HA ALA A 118 0.137 -11.410 -16.769 1.00 73.20 H new ATOM 0 HB1 ALA A 118 1.225 -10.853 -18.925 1.00 2.11 H new ATOM 0 HB2 ALA A 118 0.495 -12.476 -18.954 1.00 2.11 H new ATOM 0 HB3 ALA A 118 -0.322 -11.118 -19.764 1.00 2.11 H new ATOM 1922 N ALA A 119 -1.718 -9.077 -18.195 1.00 41.32 N ATOM 1923 CA ALA A 119 -2.032 -7.642 -18.211 1.00 54.14 C ATOM 1924 C ALA A 119 -3.027 -7.248 -17.102 1.00 21.15 C ATOM 1925 O ALA A 119 -2.694 -6.468 -16.209 1.00 41.50 O ATOM 1926 CB ALA A 119 -2.583 -7.250 -19.580 1.00 21.13 C ATOM 0 H ALA A 119 -2.343 -9.646 -18.766 1.00 41.32 H new ATOM 0 HA ALA A 119 -1.107 -7.100 -18.017 1.00 54.14 H new ATOM 0 HB1 ALA A 119 -2.815 -6.185 -19.588 1.00 21.13 H new ATOM 0 HB2 ALA A 119 -1.839 -7.465 -20.347 1.00 21.13 H new ATOM 0 HB3 ALA A 119 -3.489 -7.820 -19.784 1.00 21.13 H new ATOM 1932 N GLU A 120 -4.245 -7.793 -17.153 1.00 2.43 N ATOM 1933 CA GLU A 120 -5.305 -7.418 -16.202 1.00 13.42 C ATOM 1934 C GLU A 120 -4.912 -7.720 -14.750 1.00 63.30 C ATOM 1935 O GLU A 120 -5.099 -6.879 -13.868 1.00 13.10 O ATOM 1936 CB GLU A 120 -6.628 -8.116 -16.552 1.00 22.03 C ATOM 1937 CG GLU A 120 -7.219 -7.669 -17.887 1.00 63.01 C ATOM 1938 CD GLU A 120 -8.593 -8.262 -18.155 1.00 63.20 C ATOM 1939 OE1 GLU A 120 -9.593 -7.729 -17.623 1.00 43.45 O ATOM 1940 OE2 GLU A 120 -8.682 -9.253 -18.909 1.00 50.11 O ATOM 0 H GLU A 120 -4.525 -8.494 -17.839 1.00 2.43 H new ATOM 0 HA GLU A 120 -5.442 -6.340 -16.289 1.00 13.42 H new ATOM 0 HB2 GLU A 120 -6.465 -9.193 -16.579 1.00 22.03 H new ATOM 0 HB3 GLU A 120 -7.352 -7.923 -15.760 1.00 22.03 H new ATOM 0 HG2 GLU A 120 -7.289 -6.581 -17.901 1.00 63.01 H new ATOM 0 HG3 GLU A 120 -6.542 -7.955 -18.692 1.00 63.01 H new ATOM 1947 N GLU A 121 -4.363 -8.910 -14.499 1.00 33.14 N ATOM 1948 CA GLU A 121 -3.905 -9.267 -13.150 1.00 43.15 C ATOM 1949 C GLU A 121 -2.854 -8.265 -12.649 1.00 12.40 C ATOM 1950 O GLU A 121 -2.902 -7.822 -11.503 1.00 41.50 O ATOM 1951 CB GLU A 121 -3.323 -10.691 -13.117 1.00 1.03 C ATOM 1952 CG GLU A 121 -2.899 -11.143 -11.718 1.00 54.32 C ATOM 1953 CD GLU A 121 -2.292 -12.538 -11.695 1.00 62.04 C ATOM 1954 OE1 GLU A 121 -3.052 -13.527 -11.717 1.00 74.42 O ATOM 1955 OE2 GLU A 121 -1.050 -12.659 -11.635 1.00 51.25 O ATOM 0 H GLU A 121 -4.225 -9.637 -15.201 1.00 33.14 H new ATOM 0 HA GLU A 121 -4.772 -9.232 -12.490 1.00 43.15 H new ATOM 0 HB2 GLU A 121 -4.065 -11.388 -13.506 1.00 1.03 H new ATOM 0 HB3 GLU A 121 -2.461 -10.739 -13.783 1.00 1.03 H new ATOM 0 HG2 GLU A 121 -2.175 -10.433 -11.318 1.00 54.32 H new ATOM 0 HG3 GLU A 121 -3.766 -11.121 -11.058 1.00 54.32 H new ATOM 1962 N GLU A 122 -1.913 -7.904 -13.523 1.00 30.21 N ATOM 1963 CA GLU A 122 -0.885 -6.911 -13.186 1.00 50.15 C ATOM 1964 C GLU A 122 -1.512 -5.548 -12.858 1.00 43.43 C ATOM 1965 O GLU A 122 -1.148 -4.898 -11.873 1.00 4.34 O ATOM 1966 CB GLU A 122 0.106 -6.746 -14.348 1.00 73.04 C ATOM 1967 CG GLU A 122 1.263 -5.803 -14.030 1.00 4.33 C ATOM 1968 CD GLU A 122 2.053 -5.386 -15.259 1.00 23.54 C ATOM 1969 OE1 GLU A 122 2.883 -6.187 -15.739 1.00 64.51 O ATOM 1970 OE2 GLU A 122 1.860 -4.249 -15.740 1.00 34.31 O ATOM 0 H GLU A 122 -1.839 -8.282 -14.468 1.00 30.21 H new ATOM 0 HA GLU A 122 -0.357 -7.275 -12.305 1.00 50.15 H new ATOM 0 HB2 GLU A 122 0.507 -7.724 -14.615 1.00 73.04 H new ATOM 0 HB3 GLU A 122 -0.429 -6.371 -15.221 1.00 73.04 H new ATOM 0 HG2 GLU A 122 0.872 -4.912 -13.538 1.00 4.33 H new ATOM 0 HG3 GLU A 122 1.935 -6.289 -13.322 1.00 4.33 H new ATOM 1977 N MET A 123 -2.459 -5.118 -13.692 1.00 30.53 N ATOM 1978 CA MET A 123 -3.127 -3.831 -13.498 1.00 64.54 C ATOM 1979 C MET A 123 -3.917 -3.794 -12.180 1.00 63.33 C ATOM 1980 O MET A 123 -3.899 -2.787 -11.477 1.00 64.52 O ATOM 1981 CB MET A 123 -4.041 -3.506 -14.689 1.00 73.01 C ATOM 1982 CG MET A 123 -3.288 -3.316 -16.004 1.00 63.52 C ATOM 1983 SD MET A 123 -4.338 -2.696 -17.335 1.00 2.13 S ATOM 1984 CE MET A 123 -5.571 -3.993 -17.455 1.00 71.12 C ATOM 0 H MET A 123 -2.780 -5.641 -14.507 1.00 30.53 H new ATOM 0 HA MET A 123 -2.353 -3.066 -13.438 1.00 64.54 H new ATOM 0 HB2 MET A 123 -4.767 -4.310 -14.809 1.00 73.01 H new ATOM 0 HB3 MET A 123 -4.603 -2.599 -14.468 1.00 73.01 H new ATOM 0 HG2 MET A 123 -2.463 -2.622 -15.847 1.00 63.52 H new ATOM 0 HG3 MET A 123 -2.851 -4.268 -16.307 1.00 63.52 H new ATOM 0 HE1 MET A 123 -6.345 -3.695 -18.162 1.00 71.12 H new ATOM 0 HE2 MET A 123 -5.099 -4.913 -17.800 1.00 71.12 H new ATOM 0 HE3 MET A 123 -6.020 -4.160 -16.476 1.00 71.12 H new ATOM 1994 N LEU A 124 -4.598 -4.891 -11.846 1.00 14.53 N ATOM 1995 CA LEU A 124 -5.311 -4.995 -10.562 1.00 21.24 C ATOM 1996 C LEU A 124 -4.327 -5.040 -9.385 1.00 71.45 C ATOM 1997 O LEU A 124 -4.537 -4.394 -8.359 1.00 53.20 O ATOM 1998 CB LEU A 124 -6.212 -6.238 -10.541 1.00 51.13 C ATOM 1999 CG LEU A 124 -7.344 -6.245 -11.582 1.00 30.24 C ATOM 2000 CD1 LEU A 124 -8.207 -7.495 -11.431 1.00 71.42 C ATOM 2001 CD2 LEU A 124 -8.199 -4.983 -11.466 1.00 34.40 C ATOM 0 H LEU A 124 -4.674 -5.718 -12.439 1.00 14.53 H new ATOM 0 HA LEU A 124 -5.934 -4.107 -10.456 1.00 21.24 H new ATOM 0 HB2 LEU A 124 -5.591 -7.120 -10.698 1.00 51.13 H new ATOM 0 HB3 LEU A 124 -6.653 -6.331 -9.548 1.00 51.13 H new ATOM 0 HG LEU A 124 -6.892 -6.258 -12.574 1.00 30.24 H new ATOM 0 HD11 LEU A 124 -9.002 -7.481 -12.177 1.00 71.42 H new ATOM 0 HD12 LEU A 124 -7.591 -8.382 -11.575 1.00 71.42 H new ATOM 0 HD13 LEU A 124 -8.646 -7.516 -10.433 1.00 71.42 H new ATOM 0 HD21 LEU A 124 -8.993 -5.011 -12.213 1.00 34.40 H new ATOM 0 HD22 LEU A 124 -8.639 -4.932 -10.470 1.00 34.40 H new ATOM 0 HD23 LEU A 124 -7.576 -4.105 -11.632 1.00 34.40 H new ATOM 2013 N TYR A 125 -3.250 -5.806 -9.555 1.00 11.44 N ATOM 2014 CA TYR A 125 -2.177 -5.899 -8.558 1.00 15.43 C ATOM 2015 C TYR A 125 -1.654 -4.508 -8.154 1.00 12.13 C ATOM 2016 O TYR A 125 -1.554 -4.187 -6.968 1.00 4.32 O ATOM 2017 CB TYR A 125 -1.041 -6.761 -9.130 1.00 45.42 C ATOM 2018 CG TYR A 125 0.240 -6.766 -8.315 1.00 31.11 C ATOM 2019 CD1 TYR A 125 0.343 -7.501 -7.139 1.00 72.11 C ATOM 2020 CD2 TYR A 125 1.349 -6.040 -8.734 1.00 72.24 C ATOM 2021 CE1 TYR A 125 1.517 -7.511 -6.408 1.00 33.51 C ATOM 2022 CE2 TYR A 125 2.523 -6.051 -8.012 1.00 22.31 C ATOM 2023 CZ TYR A 125 2.603 -6.785 -6.852 1.00 12.40 C ATOM 2024 OH TYR A 125 3.777 -6.791 -6.136 1.00 52.34 O ATOM 0 H TYR A 125 -3.094 -6.379 -10.384 1.00 11.44 H new ATOM 0 HA TYR A 125 -2.575 -6.363 -7.655 1.00 15.43 H new ATOM 0 HB2 TYR A 125 -1.397 -7.787 -9.224 1.00 45.42 H new ATOM 0 HB3 TYR A 125 -0.811 -6.410 -10.136 1.00 45.42 H new ATOM 0 HD1 TYR A 125 -0.505 -8.072 -6.792 1.00 72.11 H new ATOM 0 HD2 TYR A 125 1.290 -5.457 -9.641 1.00 72.24 H new ATOM 0 HE1 TYR A 125 1.583 -8.084 -5.495 1.00 33.51 H new ATOM 0 HE2 TYR A 125 3.376 -5.486 -8.356 1.00 22.31 H new ATOM 0 HH TYR A 125 4.440 -6.229 -6.589 1.00 52.34 H new ATOM 2034 N LYS A 126 -1.325 -3.683 -9.146 1.00 53.50 N ATOM 2035 CA LYS A 126 -0.847 -2.319 -8.885 1.00 43.51 C ATOM 2036 C LYS A 126 -2.011 -1.375 -8.526 1.00 74.42 C ATOM 2037 O LYS A 126 -1.813 -0.366 -7.850 1.00 75.22 O ATOM 2038 CB LYS A 126 -0.058 -1.783 -10.093 1.00 45.52 C ATOM 2039 CG LYS A 126 -0.882 -1.646 -11.371 1.00 41.02 C ATOM 2040 CD LYS A 126 -0.016 -1.269 -12.575 1.00 14.14 C ATOM 2041 CE LYS A 126 0.966 -2.378 -12.937 1.00 2.20 C ATOM 2042 NZ LYS A 126 1.787 -2.032 -14.127 1.00 63.12 N ATOM 0 H LYS A 126 -1.379 -3.930 -10.134 1.00 53.50 H new ATOM 0 HA LYS A 126 -0.178 -2.357 -8.026 1.00 43.51 H new ATOM 0 HB2 LYS A 126 0.358 -0.809 -9.837 1.00 45.52 H new ATOM 0 HB3 LYS A 126 0.783 -2.448 -10.287 1.00 45.52 H new ATOM 0 HG2 LYS A 126 -1.395 -2.586 -11.574 1.00 41.02 H new ATOM 0 HG3 LYS A 126 -1.651 -0.888 -11.226 1.00 41.02 H new ATOM 0 HD2 LYS A 126 -0.657 -1.057 -13.431 1.00 14.14 H new ATOM 0 HD3 LYS A 126 0.534 -0.354 -12.355 1.00 14.14 H new ATOM 0 HE2 LYS A 126 1.622 -2.572 -12.088 1.00 2.20 H new ATOM 0 HE3 LYS A 126 0.416 -3.299 -13.132 1.00 2.20 H new ATOM 0 HZ1 LYS A 126 1.718 -2.795 -14.830 1.00 63.12 H new ATOM 0 HZ2 LYS A 126 1.439 -1.145 -14.543 1.00 63.12 H new ATOM 0 HZ3 LYS A 126 2.780 -1.914 -13.841 1.00 63.12 H new ATOM 2056 N ASP A 127 -3.222 -1.715 -8.973 1.00 13.14 N ATOM 2057 CA ASP A 127 -4.429 -0.954 -8.616 1.00 32.54 C ATOM 2058 C ASP A 127 -4.709 -1.064 -7.105 1.00 1.42 C ATOM 2059 O ASP A 127 -5.188 -0.117 -6.474 1.00 1.52 O ATOM 2060 CB ASP A 127 -5.622 -1.474 -9.429 1.00 54.14 C ATOM 2061 CG ASP A 127 -6.889 -0.659 -9.222 1.00 23.25 C ATOM 2062 OD1 ASP A 127 -6.994 0.444 -9.794 1.00 24.10 O ATOM 2063 OD2 ASP A 127 -7.794 -1.122 -8.499 1.00 35.01 O ATOM 0 H ASP A 127 -3.396 -2.513 -9.584 1.00 13.14 H new ATOM 0 HA ASP A 127 -4.272 0.098 -8.852 1.00 32.54 H new ATOM 0 HB2 ASP A 127 -5.362 -1.467 -10.488 1.00 54.14 H new ATOM 0 HB3 ASP A 127 -5.816 -2.511 -9.155 1.00 54.14 H new ATOM 2068 N MET A 128 -4.394 -2.227 -6.536 1.00 25.13 N ATOM 2069 CA MET A 128 -4.485 -2.439 -5.086 1.00 54.02 C ATOM 2070 C MET A 128 -3.408 -1.635 -4.343 1.00 55.44 C ATOM 2071 O MET A 128 -3.671 -1.042 -3.296 1.00 60.32 O ATOM 2072 CB MET A 128 -4.352 -3.931 -4.757 1.00 73.00 C ATOM 2073 CG MET A 128 -5.456 -4.786 -5.360 1.00 64.23 C ATOM 2074 SD MET A 128 -5.250 -6.542 -5.009 1.00 5.21 S ATOM 2075 CE MET A 128 -5.339 -6.553 -3.219 1.00 72.32 C ATOM 0 H MET A 128 -4.072 -3.042 -7.057 1.00 25.13 H new ATOM 0 HA MET A 128 -5.462 -2.088 -4.754 1.00 54.02 H new ATOM 0 HB2 MET A 128 -3.388 -4.290 -5.117 1.00 73.00 H new ATOM 0 HB3 MET A 128 -4.355 -4.058 -3.674 1.00 73.00 H new ATOM 0 HG2 MET A 128 -6.419 -4.453 -4.973 1.00 64.23 H new ATOM 0 HG3 MET A 128 -5.477 -4.636 -6.439 1.00 64.23 H new ATOM 0 HE1 MET A 128 -5.263 -7.578 -2.857 1.00 72.32 H new ATOM 0 HE2 MET A 128 -4.519 -5.962 -2.810 1.00 72.32 H new ATOM 0 HE3 MET A 128 -6.289 -6.125 -2.899 1.00 72.32 H new ATOM 2085 N GLN A 129 -2.193 -1.616 -4.891 1.00 43.22 N ATOM 2086 CA GLN A 129 -1.107 -0.803 -4.329 1.00 23.43 C ATOM 2087 C GLN A 129 -1.487 0.688 -4.360 1.00 11.24 C ATOM 2088 O GLN A 129 -1.157 1.445 -3.443 1.00 75.33 O ATOM 2089 CB GLN A 129 0.205 -1.059 -5.099 1.00 12.40 C ATOM 2090 CG GLN A 129 1.444 -0.371 -4.508 1.00 13.11 C ATOM 2091 CD GLN A 129 1.561 1.103 -4.878 1.00 42.23 C ATOM 2092 OE1 GLN A 129 1.139 1.522 -5.950 1.00 74.45 O ATOM 2093 NE2 GLN A 129 2.130 1.900 -3.994 1.00 23.22 N ATOM 0 H GLN A 129 -1.934 -2.151 -5.720 1.00 43.22 H new ATOM 0 HA GLN A 129 -0.950 -1.090 -3.289 1.00 23.43 H new ATOM 0 HB2 GLN A 129 0.385 -2.133 -5.134 1.00 12.40 H new ATOM 0 HB3 GLN A 129 0.077 -0.724 -6.128 1.00 12.40 H new ATOM 0 HG2 GLN A 129 1.417 -0.463 -3.422 1.00 13.11 H new ATOM 0 HG3 GLN A 129 2.337 -0.894 -4.850 1.00 13.11 H new ATOM 0 HE21 GLN A 129 2.471 1.521 -3.111 1.00 23.22 H new ATOM 0 HE22 GLN A 129 2.229 2.895 -4.194 1.00 23.22 H new ATOM 2102 N LYS A 130 -2.189 1.094 -5.423 1.00 11.14 N ATOM 2103 CA LYS A 130 -2.724 2.455 -5.541 1.00 74.55 C ATOM 2104 C LYS A 130 -3.592 2.808 -4.325 1.00 41.15 C ATOM 2105 O LYS A 130 -3.337 3.795 -3.635 1.00 35.05 O ATOM 2106 CB LYS A 130 -3.555 2.590 -6.822 1.00 2.53 C ATOM 2107 CG LYS A 130 -4.195 3.967 -7.005 1.00 24.42 C ATOM 2108 CD LYS A 130 -5.242 3.961 -8.115 1.00 51.54 C ATOM 2109 CE LYS A 130 -6.376 2.986 -7.810 1.00 74.40 C ATOM 2110 NZ LYS A 130 -7.430 2.997 -8.858 1.00 43.24 N ATOM 0 H LYS A 130 -2.401 0.494 -6.220 1.00 11.14 H new ATOM 0 HA LYS A 130 -1.882 3.146 -5.583 1.00 74.55 H new ATOM 0 HB2 LYS A 130 -2.917 2.380 -7.681 1.00 2.53 H new ATOM 0 HB3 LYS A 130 -4.340 1.834 -6.815 1.00 2.53 H new ATOM 0 HG2 LYS A 130 -4.659 4.280 -6.069 1.00 24.42 H new ATOM 0 HG3 LYS A 130 -3.422 4.699 -7.238 1.00 24.42 H new ATOM 0 HD2 LYS A 130 -5.648 4.965 -8.239 1.00 51.54 H new ATOM 0 HD3 LYS A 130 -4.771 3.689 -9.059 1.00 51.54 H new ATOM 0 HE2 LYS A 130 -5.970 1.979 -7.717 1.00 74.40 H new ATOM 0 HE3 LYS A 130 -6.821 3.240 -6.848 1.00 74.40 H new ATOM 0 HZ1 LYS A 130 -8.358 3.154 -8.415 1.00 43.24 H new ATOM 0 HZ2 LYS A 130 -7.237 3.761 -9.537 1.00 43.24 H new ATOM 0 HZ3 LYS A 130 -7.434 2.084 -9.356 1.00 43.24 H new ATOM 2124 N ASP A 131 -4.618 1.992 -4.065 1.00 51.41 N ATOM 2125 CA ASP A 131 -5.472 2.187 -2.886 1.00 30.54 C ATOM 2126 C ASP A 131 -4.641 2.182 -1.592 1.00 32.43 C ATOM 2127 O ASP A 131 -4.887 2.975 -0.686 1.00 41.14 O ATOM 2128 CB ASP A 131 -6.556 1.102 -2.803 1.00 42.22 C ATOM 2129 CG ASP A 131 -7.588 1.201 -3.914 1.00 5.22 C ATOM 2130 OD1 ASP A 131 -8.113 2.312 -4.149 1.00 14.03 O ATOM 2131 OD2 ASP A 131 -7.896 0.167 -4.549 1.00 73.22 O ATOM 0 H ASP A 131 -4.877 1.196 -4.648 1.00 51.41 H new ATOM 0 HA ASP A 131 -5.952 3.160 -2.993 1.00 30.54 H new ATOM 0 HB2 ASP A 131 -6.083 0.121 -2.842 1.00 42.22 H new ATOM 0 HB3 ASP A 131 -7.061 1.175 -1.840 1.00 42.22 H new ATOM 2136 N ALA A 132 -3.654 1.281 -1.523 1.00 0.51 N ATOM 2137 CA ALA A 132 -2.792 1.149 -0.339 1.00 5.02 C ATOM 2138 C ALA A 132 -2.059 2.457 -0.006 1.00 62.11 C ATOM 2139 O ALA A 132 -2.217 3.002 1.088 1.00 34.15 O ATOM 2140 CB ALA A 132 -1.787 0.018 -0.542 1.00 2.13 C ATOM 0 H ALA A 132 -3.431 0.630 -2.275 1.00 0.51 H new ATOM 0 HA ALA A 132 -3.437 0.914 0.508 1.00 5.02 H new ATOM 0 HB1 ALA A 132 -1.155 -0.070 0.341 1.00 2.13 H new ATOM 0 HB2 ALA A 132 -2.321 -0.919 -0.701 1.00 2.13 H new ATOM 0 HB3 ALA A 132 -1.167 0.234 -1.412 1.00 2.13 H new ATOM 2146 N VAL A 133 -1.269 2.963 -0.952 1.00 33.11 N ATOM 2147 CA VAL A 133 -0.495 4.190 -0.731 1.00 2.43 C ATOM 2148 C VAL A 133 -1.414 5.395 -0.454 1.00 42.24 C ATOM 2149 O VAL A 133 -1.071 6.286 0.328 1.00 35.33 O ATOM 2150 CB VAL A 133 0.443 4.494 -1.930 1.00 71.15 C ATOM 2151 CG1 VAL A 133 -0.351 4.800 -3.201 1.00 4.13 C ATOM 2152 CG2 VAL A 133 1.403 5.635 -1.592 1.00 14.22 C ATOM 0 H VAL A 133 -1.146 2.547 -1.875 1.00 33.11 H new ATOM 0 HA VAL A 133 0.122 4.022 0.151 1.00 2.43 H new ATOM 0 HB VAL A 133 1.034 3.599 -2.124 1.00 71.15 H new ATOM 0 HG11 VAL A 133 0.338 5.008 -4.019 1.00 4.13 H new ATOM 0 HG12 VAL A 133 -0.971 3.941 -3.458 1.00 4.13 H new ATOM 0 HG13 VAL A 133 -0.987 5.669 -3.032 1.00 4.13 H new ATOM 0 HG21 VAL A 133 2.051 5.831 -2.447 1.00 14.22 H new ATOM 0 HG22 VAL A 133 0.832 6.533 -1.356 1.00 14.22 H new ATOM 0 HG23 VAL A 133 2.012 5.356 -0.732 1.00 14.22 H new ATOM 2162 N GLN A 134 -2.591 5.407 -1.084 1.00 22.52 N ATOM 2163 CA GLN A 134 -3.598 6.446 -0.824 1.00 20.12 C ATOM 2164 C GLN A 134 -4.167 6.330 0.602 1.00 33.43 C ATOM 2165 O GLN A 134 -4.400 7.337 1.270 1.00 65.23 O ATOM 2166 CB GLN A 134 -4.734 6.367 -1.859 1.00 55.31 C ATOM 2167 CG GLN A 134 -4.310 6.754 -3.276 1.00 41.15 C ATOM 2168 CD GLN A 134 -3.897 8.215 -3.396 1.00 32.21 C ATOM 2169 OE1 GLN A 134 -4.392 9.076 -2.675 1.00 70.44 O ATOM 2170 NE2 GLN A 134 -2.992 8.512 -4.309 1.00 35.41 N ATOM 0 H GLN A 134 -2.872 4.713 -1.776 1.00 22.52 H new ATOM 0 HA GLN A 134 -3.107 7.415 -0.913 1.00 20.12 H new ATOM 0 HB2 GLN A 134 -5.129 5.351 -1.873 1.00 55.31 H new ATOM 0 HB3 GLN A 134 -5.547 7.021 -1.542 1.00 55.31 H new ATOM 0 HG2 GLN A 134 -3.479 6.121 -3.586 1.00 41.15 H new ATOM 0 HG3 GLN A 134 -5.134 6.558 -3.962 1.00 41.15 H new ATOM 0 HE21 GLN A 134 -2.597 7.776 -4.894 1.00 35.41 H new ATOM 0 HE22 GLN A 134 -2.687 9.478 -4.429 1.00 35.41 H new ATOM 2179 N GLN A 135 -4.391 5.096 1.063 1.00 33.32 N ATOM 2180 CA GLN A 135 -4.854 4.849 2.436 1.00 72.21 C ATOM 2181 C GLN A 135 -3.798 5.288 3.463 1.00 23.34 C ATOM 2182 O GLN A 135 -4.133 5.838 4.517 1.00 62.44 O ATOM 2183 CB GLN A 135 -5.194 3.359 2.635 1.00 44.01 C ATOM 2184 CG GLN A 135 -6.473 2.903 1.928 1.00 14.14 C ATOM 2185 CD GLN A 135 -7.743 3.408 2.594 1.00 14.33 C ATOM 2186 OE1 GLN A 135 -7.764 4.470 3.216 1.00 32.43 O ATOM 2187 NE2 GLN A 135 -8.815 2.652 2.477 1.00 2.30 N ATOM 0 H GLN A 135 -4.260 4.251 0.507 1.00 33.32 H new ATOM 0 HA GLN A 135 -5.756 5.441 2.594 1.00 72.21 H new ATOM 0 HB2 GLN A 135 -4.360 2.757 2.275 1.00 44.01 H new ATOM 0 HB3 GLN A 135 -5.293 3.161 3.702 1.00 44.01 H new ATOM 0 HG2 GLN A 135 -6.451 3.249 0.895 1.00 14.14 H new ATOM 0 HG3 GLN A 135 -6.495 1.814 1.899 1.00 14.14 H new ATOM 0 HE21 GLN A 135 -8.767 1.777 1.955 1.00 2.30 H new ATOM 0 HE22 GLN A 135 -9.693 2.942 2.908 1.00 2.30 H new ATOM 2196 N ILE A 136 -2.525 5.038 3.148 1.00 23.23 N ATOM 2197 CA ILE A 136 -1.414 5.505 3.985 1.00 53.12 C ATOM 2198 C ILE A 136 -1.417 7.037 4.072 1.00 11.25 C ATOM 2199 O ILE A 136 -1.482 7.605 5.159 1.00 70.42 O ATOM 2200 CB ILE A 136 -0.036 5.034 3.443 1.00 33.24 C ATOM 2201 CG1 ILE A 136 0.018 3.499 3.351 1.00 10.41 C ATOM 2202 CG2 ILE A 136 1.099 5.557 4.330 1.00 41.31 C ATOM 2203 CD1 ILE A 136 1.311 2.963 2.763 1.00 13.12 C ATOM 0 H ILE A 136 -2.237 4.516 2.321 1.00 23.23 H new ATOM 0 HA ILE A 136 -1.561 5.072 4.975 1.00 53.12 H new ATOM 0 HB ILE A 136 0.092 5.442 2.440 1.00 33.24 H new ATOM 0 HG12 ILE A 136 -0.117 3.080 4.348 1.00 10.41 H new ATOM 0 HG13 ILE A 136 -0.818 3.152 2.743 1.00 10.41 H new ATOM 0 HG21 ILE A 136 2.056 5.217 3.935 1.00 41.31 H new ATOM 0 HG22 ILE A 136 1.078 6.647 4.343 1.00 41.31 H new ATOM 0 HG23 ILE A 136 0.971 5.180 5.345 1.00 41.31 H new ATOM 0 HD11 ILE A 136 1.272 1.874 2.731 1.00 13.12 H new ATOM 0 HD12 ILE A 136 1.440 3.351 1.753 1.00 13.12 H new ATOM 0 HD13 ILE A 136 2.151 3.278 3.382 1.00 13.12 H new ATOM 2215 N LEU A 137 -1.367 7.695 2.911 1.00 64.31 N ATOM 2216 CA LEU A 137 -1.402 9.162 2.838 1.00 45.54 C ATOM 2217 C LEU A 137 -2.618 9.733 3.588 1.00 34.31 C ATOM 2218 O LEU A 137 -2.500 10.686 4.361 1.00 2.22 O ATOM 2219 CB LEU A 137 -1.436 9.611 1.369 1.00 33.40 C ATOM 2220 CG LEU A 137 -1.509 11.131 1.143 1.00 61.04 C ATOM 2221 CD1 LEU A 137 -0.306 11.828 1.772 1.00 23.24 C ATOM 2222 CD2 LEU A 137 -1.605 11.451 -0.347 1.00 62.25 C ATOM 0 H LEU A 137 -1.302 7.234 2.003 1.00 64.31 H new ATOM 0 HA LEU A 137 -0.501 9.545 3.317 1.00 45.54 H new ATOM 0 HB2 LEU A 137 -0.545 9.229 0.870 1.00 33.40 H new ATOM 0 HB3 LEU A 137 -2.296 9.148 0.885 1.00 33.40 H new ATOM 0 HG LEU A 137 -2.410 11.506 1.629 1.00 61.04 H new ATOM 0 HD11 LEU A 137 -0.377 12.902 1.601 1.00 23.24 H new ATOM 0 HD12 LEU A 137 -0.291 11.632 2.844 1.00 23.24 H new ATOM 0 HD13 LEU A 137 0.611 11.449 1.321 1.00 23.24 H new ATOM 0 HD21 LEU A 137 -1.656 12.531 -0.485 1.00 62.25 H new ATOM 0 HD22 LEU A 137 -0.726 11.061 -0.860 1.00 62.25 H new ATOM 0 HD23 LEU A 137 -2.502 10.990 -0.761 1.00 62.25 H new ATOM 2234 N ARG A 138 -3.782 9.136 3.350 1.00 34.21 N ATOM 2235 CA ARG A 138 -5.022 9.533 4.023 1.00 3.21 C ATOM 2236 C ARG A 138 -4.885 9.488 5.554 1.00 31.51 C ATOM 2237 O ARG A 138 -5.236 10.441 6.247 1.00 74.24 O ATOM 2238 CB ARG A 138 -6.163 8.619 3.561 1.00 60.40 C ATOM 2239 CG ARG A 138 -7.493 8.855 4.273 1.00 61.00 C ATOM 2240 CD ARG A 138 -8.610 8.015 3.657 1.00 42.23 C ATOM 2241 NE ARG A 138 -8.855 8.384 2.262 1.00 13.14 N ATOM 2242 CZ ARG A 138 -8.899 7.544 1.263 1.00 72.42 C ATOM 2243 NH1 ARG A 138 -8.708 6.275 1.450 1.00 4.43 N ATOM 2244 NH2 ARG A 138 -9.128 7.985 0.070 1.00 43.45 N ATOM 0 H ARG A 138 -3.896 8.367 2.690 1.00 34.21 H new ATOM 0 HA ARG A 138 -5.242 10.566 3.752 1.00 3.21 H new ATOM 0 HB2 ARG A 138 -6.310 8.756 2.490 1.00 60.40 H new ATOM 0 HB3 ARG A 138 -5.864 7.582 3.712 1.00 60.40 H new ATOM 0 HG2 ARG A 138 -7.391 8.609 5.330 1.00 61.00 H new ATOM 0 HG3 ARG A 138 -7.756 9.911 4.216 1.00 61.00 H new ATOM 0 HD2 ARG A 138 -8.345 6.959 3.714 1.00 42.23 H new ATOM 0 HD3 ARG A 138 -9.525 8.146 4.235 1.00 42.23 H new ATOM 0 HE ARG A 138 -9.002 9.372 2.054 1.00 13.14 H new ATOM 0 HH11 ARG A 138 -8.520 5.920 2.388 1.00 4.43 H new ATOM 0 HH12 ARG A 138 -8.746 5.632 0.659 1.00 4.43 H new ATOM 0 HH21 ARG A 138 -9.273 8.983 -0.086 1.00 43.45 H new ATOM 0 HH22 ARG A 138 -9.164 7.335 -0.716 1.00 43.45 H new ATOM 2258 N GLN A 139 -4.370 8.380 6.076 1.00 62.34 N ATOM 2259 CA GLN A 139 -4.211 8.214 7.526 1.00 72.33 C ATOM 2260 C GLN A 139 -3.115 9.141 8.083 1.00 3.20 C ATOM 2261 O GLN A 139 -3.314 9.810 9.094 1.00 23.50 O ATOM 2262 CB GLN A 139 -3.898 6.746 7.854 1.00 14.15 C ATOM 2263 CG GLN A 139 -3.807 6.439 9.351 1.00 72.41 C ATOM 2264 CD GLN A 139 -5.079 6.776 10.117 1.00 5.10 C ATOM 2265 OE1 GLN A 139 -6.177 6.763 9.569 1.00 41.13 O ATOM 2266 NE2 GLN A 139 -4.944 7.062 11.397 1.00 13.10 N ATOM 0 H GLN A 139 -4.055 7.583 5.523 1.00 62.34 H new ATOM 0 HA GLN A 139 -5.149 8.493 8.005 1.00 72.33 H new ATOM 0 HB2 GLN A 139 -4.669 6.115 7.412 1.00 14.15 H new ATOM 0 HB3 GLN A 139 -2.954 6.474 7.381 1.00 14.15 H new ATOM 0 HG2 GLN A 139 -3.581 5.381 9.484 1.00 72.41 H new ATOM 0 HG3 GLN A 139 -2.975 6.999 9.779 1.00 72.41 H new ATOM 0 HE21 GLN A 139 -4.018 7.065 11.824 1.00 13.10 H new ATOM 0 HE22 GLN A 139 -5.766 7.281 11.960 1.00 13.10 H new ATOM 2275 N VAL A 140 -1.967 9.190 7.406 1.00 50.15 N ATOM 2276 CA VAL A 140 -0.834 10.024 7.839 1.00 63.40 C ATOM 2277 C VAL A 140 -1.199 11.522 7.872 1.00 44.00 C ATOM 2278 O VAL A 140 -0.623 12.294 8.636 1.00 63.20 O ATOM 2279 CB VAL A 140 0.406 9.805 6.922 1.00 52.01 C ATOM 2280 CG1 VAL A 140 1.553 10.750 7.290 1.00 64.34 C ATOM 2281 CG2 VAL A 140 0.870 8.350 6.988 1.00 71.44 C ATOM 0 H VAL A 140 -1.792 8.661 6.551 1.00 50.15 H new ATOM 0 HA VAL A 140 -0.586 9.713 8.854 1.00 63.40 H new ATOM 0 HB VAL A 140 0.105 10.032 5.899 1.00 52.01 H new ATOM 0 HG11 VAL A 140 2.401 10.568 6.629 1.00 64.34 H new ATOM 0 HG12 VAL A 140 1.223 11.783 7.181 1.00 64.34 H new ATOM 0 HG13 VAL A 140 1.854 10.573 8.323 1.00 64.34 H new ATOM 0 HG21 VAL A 140 1.737 8.215 6.341 1.00 71.44 H new ATOM 0 HG22 VAL A 140 1.140 8.100 8.014 1.00 71.44 H new ATOM 0 HG23 VAL A 140 0.064 7.696 6.656 1.00 71.44 H new ATOM 2291 N SER A 141 -2.161 11.931 7.050 1.00 60.44 N ATOM 2292 CA SER A 141 -2.608 13.333 7.026 1.00 55.55 C ATOM 2293 C SER A 141 -3.790 13.576 7.981 1.00 44.42 C ATOM 2294 O SER A 141 -3.777 14.517 8.778 1.00 42.24 O ATOM 2295 CB SER A 141 -2.999 13.750 5.599 1.00 72.42 C ATOM 2296 OG SER A 141 -4.035 12.931 5.077 1.00 62.53 O ATOM 0 H SER A 141 -2.648 11.321 6.393 1.00 60.44 H new ATOM 0 HA SER A 141 -1.771 13.943 7.365 1.00 55.55 H new ATOM 0 HB2 SER A 141 -3.324 14.791 5.600 1.00 72.42 H new ATOM 0 HB3 SER A 141 -2.125 13.689 4.950 1.00 72.42 H new ATOM 0 HG SER A 141 -3.654 12.087 4.756 1.00 62.53 H new ATOM 2302 N ALA A 142 -4.805 12.717 7.907 1.00 1.44 N ATOM 2303 CA ALA A 142 -6.057 12.921 8.651 1.00 25.52 C ATOM 2304 C ALA A 142 -6.105 12.173 10.000 1.00 41.14 C ATOM 2305 O ALA A 142 -7.167 12.096 10.621 1.00 25.10 O ATOM 2306 CB ALA A 142 -7.244 12.509 7.783 1.00 43.31 C ATOM 0 H ALA A 142 -4.789 11.870 7.339 1.00 1.44 H new ATOM 0 HA ALA A 142 -6.108 13.983 8.889 1.00 25.52 H new ATOM 0 HB1 ALA A 142 -8.170 12.661 8.337 1.00 43.31 H new ATOM 0 HB2 ALA A 142 -7.260 13.114 6.877 1.00 43.31 H new ATOM 0 HB3 ALA A 142 -7.151 11.457 7.515 1.00 43.31 H new ATOM 2312 N PHE A 143 -4.977 11.628 10.470 1.00 51.15 N ATOM 2313 CA PHE A 143 -4.956 10.916 11.765 1.00 45.04 C ATOM 2314 C PHE A 143 -5.352 11.847 12.926 1.00 70.44 C ATOM 2315 O PHE A 143 -5.937 11.413 13.919 1.00 1.11 O ATOM 2316 CB PHE A 143 -3.569 10.298 12.044 1.00 4.22 C ATOM 2317 CG PHE A 143 -2.484 11.302 12.365 1.00 40.24 C ATOM 2318 CD1 PHE A 143 -2.264 11.717 13.674 1.00 74.22 C ATOM 2319 CD2 PHE A 143 -1.683 11.829 11.363 1.00 15.24 C ATOM 2320 CE1 PHE A 143 -1.277 12.634 13.971 1.00 23.41 C ATOM 2321 CE2 PHE A 143 -0.693 12.748 11.658 1.00 63.15 C ATOM 2322 CZ PHE A 143 -0.490 13.150 12.963 1.00 72.52 C ATOM 0 H PHE A 143 -4.079 11.661 9.988 1.00 51.15 H new ATOM 0 HA PHE A 143 -5.690 10.113 11.697 1.00 45.04 H new ATOM 0 HB2 PHE A 143 -3.658 9.600 12.877 1.00 4.22 H new ATOM 0 HB3 PHE A 143 -3.263 9.718 11.173 1.00 4.22 H new ATOM 0 HD1 PHE A 143 -2.875 11.316 14.469 1.00 74.22 H new ATOM 0 HD2 PHE A 143 -1.834 11.518 10.340 1.00 15.24 H new ATOM 0 HE1 PHE A 143 -1.121 12.948 14.993 1.00 23.41 H new ATOM 0 HE2 PHE A 143 -0.078 13.152 10.867 1.00 63.15 H new ATOM 0 HZ PHE A 143 0.284 13.867 13.194 1.00 72.52 H new ATOM 2332 N THR A 144 -5.024 13.130 12.785 1.00 11.54 N ATOM 2333 CA THR A 144 -5.258 14.123 13.845 1.00 43.51 C ATOM 2334 C THR A 144 -6.663 14.745 13.772 1.00 22.21 C ATOM 2335 O THR A 144 -7.096 15.444 14.694 1.00 31.44 O ATOM 2336 CB THR A 144 -4.198 15.252 13.781 1.00 31.01 C ATOM 2337 OG1 THR A 144 -4.368 16.161 14.878 1.00 63.40 O ATOM 2338 CG2 THR A 144 -4.282 16.016 12.460 1.00 24.54 C ATOM 0 H THR A 144 -4.593 13.513 11.944 1.00 11.54 H new ATOM 0 HA THR A 144 -5.176 13.588 14.791 1.00 43.51 H new ATOM 0 HB THR A 144 -3.214 14.787 13.848 1.00 31.01 H new ATOM 0 HG1 THR A 144 -5.311 16.178 15.145 1.00 63.40 H new ATOM 0 HG21 THR A 144 -3.526 16.801 12.445 1.00 24.54 H new ATOM 0 HG22 THR A 144 -4.109 15.330 11.631 1.00 24.54 H new ATOM 0 HG23 THR A 144 -5.271 16.463 12.360 1.00 24.54 H new ATOM 2346 N SER A 145 -7.384 14.481 12.684 1.00 25.43 N ATOM 2347 CA SER A 145 -8.724 15.053 12.481 1.00 43.24 C ATOM 2348 C SER A 145 -9.809 13.975 12.602 1.00 22.30 C ATOM 2349 O SER A 145 -10.295 13.452 11.599 1.00 12.11 O ATOM 2350 CB SER A 145 -8.820 15.745 11.109 1.00 10.32 C ATOM 2351 OG SER A 145 -7.855 16.780 10.982 1.00 71.30 O ATOM 0 H SER A 145 -7.067 13.875 11.927 1.00 25.43 H new ATOM 0 HA SER A 145 -8.888 15.796 13.261 1.00 43.24 H new ATOM 0 HB2 SER A 145 -8.673 15.010 10.318 1.00 10.32 H new ATOM 0 HB3 SER A 145 -9.820 16.159 10.978 1.00 10.32 H new ATOM 0 HG SER A 145 -7.939 17.199 10.100 1.00 71.30 H new ATOM 2357 N ALA A 146 -10.171 13.644 13.843 1.00 24.33 N ATOM 2358 CA ALA A 146 -11.166 12.598 14.126 1.00 70.53 C ATOM 2359 C ALA A 146 -11.437 12.476 15.634 1.00 14.20 C ATOM 2360 O ALA A 146 -12.567 12.224 16.059 1.00 14.05 O ATOM 2361 CB ALA A 146 -10.706 11.251 13.568 1.00 12.12 C ATOM 0 H ALA A 146 -9.788 14.088 14.678 1.00 24.33 H new ATOM 0 HA ALA A 146 -12.095 12.887 13.635 1.00 70.53 H new ATOM 0 HB1 ALA A 146 -11.456 10.491 13.788 1.00 12.12 H new ATOM 0 HB2 ALA A 146 -10.575 11.330 12.489 1.00 12.12 H new ATOM 0 HB3 ALA A 146 -9.759 10.970 14.029 1.00 12.12 H new ATOM 2367 N GLY A 147 -10.386 12.646 16.434 1.00 12.41 N ATOM 2368 CA GLY A 147 -10.503 12.544 17.887 1.00 54.12 C ATOM 2369 C GLY A 147 -9.415 11.667 18.498 1.00 23.13 C ATOM 2370 O GLY A 147 -9.519 10.439 18.491 1.00 74.21 O ATOM 0 H GLY A 147 -9.445 12.855 16.101 1.00 12.41 H new ATOM 0 HA2 GLY A 147 -10.450 13.541 18.324 1.00 54.12 H new ATOM 0 HA3 GLY A 147 -11.481 12.136 18.142 1.00 54.12 H new ATOM 2374 N LEU A 148 -8.375 12.292 19.045 1.00 34.31 N ATOM 2375 CA LEU A 148 -7.226 11.559 19.601 1.00 13.15 C ATOM 2376 C LEU A 148 -7.529 11.009 21.013 1.00 12.31 C ATOM 2377 O LEU A 148 -6.655 10.944 21.873 1.00 54.12 O ATOM 2378 CB LEU A 148 -5.996 12.489 19.630 1.00 50.14 C ATOM 2379 CG LEU A 148 -4.646 11.814 19.951 1.00 20.30 C ATOM 2380 CD1 LEU A 148 -4.296 10.765 18.898 1.00 34.55 C ATOM 2381 CD2 LEU A 148 -3.534 12.858 20.065 1.00 72.34 C ATOM 0 H LEU A 148 -8.299 13.307 19.118 1.00 34.31 H new ATOM 0 HA LEU A 148 -7.020 10.701 18.962 1.00 13.15 H new ATOM 0 HB2 LEU A 148 -5.913 12.979 18.660 1.00 50.14 H new ATOM 0 HB3 LEU A 148 -6.174 13.271 20.368 1.00 50.14 H new ATOM 0 HG LEU A 148 -4.741 11.308 20.912 1.00 20.30 H new ATOM 0 HD11 LEU A 148 -3.340 10.304 19.147 1.00 34.55 H new ATOM 0 HD12 LEU A 148 -5.072 10.000 18.874 1.00 34.55 H new ATOM 0 HD13 LEU A 148 -4.225 11.241 17.920 1.00 34.55 H new ATOM 0 HD21 LEU A 148 -2.591 12.361 20.292 1.00 72.34 H new ATOM 0 HD22 LEU A 148 -3.443 13.397 19.122 1.00 72.34 H new ATOM 0 HD23 LEU A 148 -3.775 13.561 20.863 1.00 72.34 H new ATOM 2393 N GLU A 149 -8.768 10.569 21.234 1.00 22.13 N ATOM 2394 CA GLU A 149 -9.189 10.064 22.549 1.00 15.24 C ATOM 2395 C GLU A 149 -8.620 8.670 22.858 1.00 20.21 C ATOM 2396 O GLU A 149 -8.550 8.278 24.020 1.00 23.01 O ATOM 2397 CB GLU A 149 -10.720 9.994 22.635 1.00 1.44 C ATOM 2398 CG GLU A 149 -11.422 11.330 22.444 1.00 35.41 C ATOM 2399 CD GLU A 149 -12.916 11.229 22.694 1.00 32.34 C ATOM 2400 OE1 GLU A 149 -13.642 10.741 21.803 1.00 43.10 O ATOM 2401 OE2 GLU A 149 -13.369 11.614 23.792 1.00 1.44 O ATOM 0 H GLU A 149 -9.499 10.550 20.523 1.00 22.13 H new ATOM 0 HA GLU A 149 -8.796 10.766 23.284 1.00 15.24 H new ATOM 0 HB2 GLU A 149 -11.083 9.296 21.881 1.00 1.44 H new ATOM 0 HB3 GLU A 149 -10.999 9.586 23.607 1.00 1.44 H new ATOM 0 HG2 GLU A 149 -10.990 12.066 23.122 1.00 35.41 H new ATOM 0 HG3 GLU A 149 -11.248 11.689 21.430 1.00 35.41 H new ATOM 2408 N HIS A 150 -8.219 7.926 21.819 1.00 43.11 N ATOM 2409 CA HIS A 150 -7.794 6.522 21.983 1.00 13.00 C ATOM 2410 C HIS A 150 -8.957 5.682 22.552 1.00 74.42 C ATOM 2411 O HIS A 150 -8.756 4.785 23.370 1.00 74.01 O ATOM 2412 CB HIS A 150 -6.567 6.423 22.914 1.00 62.24 C ATOM 2413 CG HIS A 150 -5.375 7.221 22.468 1.00 51.34 C ATOM 2414 ND1 HIS A 150 -4.319 6.672 21.773 1.00 53.11 N ATOM 2415 CD2 HIS A 150 -5.057 8.525 22.648 1.00 32.25 C ATOM 2416 CE1 HIS A 150 -3.411 7.598 21.545 1.00 60.22 C ATOM 2417 NE2 HIS A 150 -3.831 8.733 22.065 1.00 2.10 N ATOM 0 H HIS A 150 -8.179 8.267 20.859 1.00 43.11 H new ATOM 0 HA HIS A 150 -7.514 6.132 21.004 1.00 13.00 H new ATOM 0 HB2 HIS A 150 -6.857 6.755 23.911 1.00 62.24 H new ATOM 0 HB3 HIS A 150 -6.275 5.376 22.998 1.00 62.24 H new ATOM 0 HD2 HIS A 150 -5.657 9.265 23.156 1.00 32.25 H new ATOM 0 HE1 HIS A 150 -2.479 7.452 21.020 1.00 60.22 H new ATOM 0 HE2 HIS A 150 -3.328 9.620 22.039 1.00 2.10 H new ATOM 2426 N HIS A 151 -10.171 5.967 22.084 1.00 13.22 N ATOM 2427 CA HIS A 151 -11.392 5.408 22.680 1.00 62.32 C ATOM 2428 C HIS A 151 -11.795 4.063 22.037 1.00 74.22 C ATOM 2429 O HIS A 151 -12.834 3.968 21.378 1.00 4.32 O ATOM 2430 CB HIS A 151 -12.535 6.435 22.553 1.00 14.23 C ATOM 2431 CG HIS A 151 -13.715 6.184 23.451 1.00 10.15 C ATOM 2432 ND1 HIS A 151 -14.260 7.157 24.260 1.00 21.25 N ATOM 2433 CD2 HIS A 151 -14.475 5.078 23.647 1.00 51.14 C ATOM 2434 CE1 HIS A 151 -15.293 6.665 24.910 1.00 14.14 C ATOM 2435 NE2 HIS A 151 -15.448 5.408 24.557 1.00 13.21 N ATOM 0 H HIS A 151 -10.340 6.585 21.290 1.00 13.22 H new ATOM 0 HA HIS A 151 -11.193 5.204 23.732 1.00 62.32 H new ATOM 0 HB2 HIS A 151 -12.138 7.427 22.768 1.00 14.23 H new ATOM 0 HB3 HIS A 151 -12.880 6.447 21.519 1.00 14.23 H new ATOM 0 HD2 HIS A 151 -14.340 4.116 23.175 1.00 51.14 H new ATOM 0 HE1 HIS A 151 -15.910 7.203 25.615 1.00 14.14 H new ATOM 0 HE2 HIS A 151 -16.173 4.780 24.903 1.00 13.21 H new ATOM 2444 N HIS A 152 -10.955 3.041 22.224 1.00 11.32 N ATOM 2445 CA HIS A 152 -11.258 1.659 21.803 1.00 44.01 C ATOM 2446 C HIS A 152 -10.068 0.724 22.079 1.00 72.10 C ATOM 2447 O HIS A 152 -8.934 1.179 22.241 1.00 2.24 O ATOM 2448 CB HIS A 152 -11.665 1.573 20.316 1.00 21.52 C ATOM 2449 CG HIS A 152 -10.579 1.917 19.339 1.00 2.22 C ATOM 2450 ND1 HIS A 152 -10.301 3.204 18.938 1.00 62.44 N ATOM 2451 CD2 HIS A 152 -9.728 1.120 18.646 1.00 0.04 C ATOM 2452 CE1 HIS A 152 -9.335 3.185 18.041 1.00 55.32 C ATOM 2453 NE2 HIS A 152 -8.965 1.935 17.844 1.00 24.11 N ATOM 0 H HIS A 152 -10.044 3.142 22.671 1.00 11.32 H new ATOM 0 HA HIS A 152 -12.111 1.334 22.398 1.00 44.01 H new ATOM 0 HB2 HIS A 152 -12.012 0.561 20.108 1.00 21.52 H new ATOM 0 HB3 HIS A 152 -12.510 2.241 20.147 1.00 21.52 H new ATOM 0 HD2 HIS A 152 -9.662 0.044 18.712 1.00 0.04 H new ATOM 0 HE1 HIS A 152 -8.916 4.050 17.549 1.00 55.32 H new ATOM 0 HE2 HIS A 152 -8.235 1.624 17.203 1.00 24.11 H new ATOM 2462 N HIS A 153 -10.334 -0.583 22.119 1.00 71.23 N ATOM 2463 CA HIS A 153 -9.302 -1.584 22.419 1.00 2.25 C ATOM 2464 C HIS A 153 -8.109 -1.487 21.450 1.00 11.42 C ATOM 2465 O HIS A 153 -8.284 -1.231 20.258 1.00 0.24 O ATOM 2466 CB HIS A 153 -9.906 -2.997 22.383 1.00 4.35 C ATOM 2467 CG HIS A 153 -10.499 -3.387 21.059 1.00 52.10 C ATOM 2468 ND1 HIS A 153 -11.855 -3.364 20.805 1.00 42.43 N ATOM 2469 CD2 HIS A 153 -9.919 -3.830 19.916 1.00 53.33 C ATOM 2470 CE1 HIS A 153 -12.080 -3.774 19.574 1.00 62.32 C ATOM 2471 NE2 HIS A 153 -10.925 -4.062 19.013 1.00 13.14 N ATOM 0 H HIS A 153 -11.259 -0.977 21.947 1.00 71.23 H new ATOM 0 HA HIS A 153 -8.926 -1.380 23.422 1.00 2.25 H new ATOM 0 HB2 HIS A 153 -9.131 -3.717 22.646 1.00 4.35 H new ATOM 0 HB3 HIS A 153 -10.679 -3.068 23.148 1.00 4.35 H new ATOM 0 HD2 HIS A 153 -8.862 -3.973 19.748 1.00 53.33 H new ATOM 0 HE1 HIS A 153 -13.049 -3.859 19.104 1.00 62.32 H new ATOM 0 HE2 HIS A 153 -10.798 -4.403 18.060 1.00 13.14 H new ATOM 2480 N HIS A 154 -6.903 -1.703 21.969 1.00 12.13 N ATOM 2481 CA HIS A 154 -5.677 -1.601 21.167 1.00 43.54 C ATOM 2482 C HIS A 154 -5.489 -2.822 20.251 1.00 2.42 C ATOM 2483 O HIS A 154 -5.142 -2.685 19.077 1.00 31.32 O ATOM 2484 CB HIS A 154 -4.463 -1.441 22.089 1.00 62.31 C ATOM 2485 CG HIS A 154 -4.515 -0.201 22.931 1.00 34.42 C ATOM 2486 ND1 HIS A 154 -4.889 -0.203 24.256 1.00 12.11 N ATOM 2487 CD2 HIS A 154 -4.245 1.091 22.625 1.00 51.23 C ATOM 2488 CE1 HIS A 154 -4.853 1.027 24.726 1.00 20.31 C ATOM 2489 NE2 HIS A 154 -4.463 1.831 23.761 1.00 51.11 N ATOM 0 H HIS A 154 -6.744 -1.951 22.945 1.00 12.13 H new ATOM 0 HA HIS A 154 -5.769 -0.723 20.528 1.00 43.54 H new ATOM 0 HB2 HIS A 154 -4.394 -2.312 22.741 1.00 62.31 H new ATOM 0 HB3 HIS A 154 -3.556 -1.423 21.484 1.00 62.31 H new ATOM 0 HD2 HIS A 154 -3.919 1.468 21.667 1.00 51.23 H new ATOM 0 HE1 HIS A 154 -5.102 1.325 25.734 1.00 20.31 H new ATOM 0 HE2 HIS A 154 -4.342 2.840 23.843 1.00 51.11 H new ATOM 2498 N HIS A 155 -5.716 -4.016 20.797 1.00 21.43 N ATOM 2499 CA HIS A 155 -5.567 -5.259 20.026 1.00 52.42 C ATOM 2500 C HIS A 155 -6.574 -6.337 20.489 1.00 70.24 C ATOM 2501 O HIS A 155 -7.652 -6.454 19.870 1.00 37.11 O ATOM 2502 CB HIS A 155 -4.123 -5.771 20.146 1.00 64.33 C ATOM 2503 CG HIS A 155 -3.802 -6.914 19.231 1.00 61.20 C ATOM 2504 ND1 HIS A 155 -3.617 -6.762 17.874 1.00 52.43 N ATOM 2505 CD2 HIS A 155 -3.627 -8.233 19.483 1.00 52.10 C ATOM 2506 CE1 HIS A 155 -3.342 -7.930 17.334 1.00 71.23 C ATOM 2507 NE2 HIS A 155 -3.342 -8.839 18.285 1.00 43.45 N ATOM 2508 OXT HIS A 155 -6.288 -7.051 21.478 1.00 37.11 O ATOM 0 H HIS A 155 -6.003 -4.153 21.766 1.00 21.43 H new ATOM 0 HA HIS A 155 -5.784 -5.044 18.980 1.00 52.42 H new ATOM 0 HB2 HIS A 155 -3.439 -4.949 19.937 1.00 64.33 H new ATOM 0 HB3 HIS A 155 -3.943 -6.082 21.175 1.00 64.33 H new ATOM 0 HD2 HIS A 155 -3.698 -8.717 20.446 1.00 52.10 H new ATOM 0 HE1 HIS A 155 -3.149 -8.112 16.287 1.00 71.23 H new ATOM 0 HE2 HIS A 155 -3.160 -9.834 18.153 1.00 43.45 H new TER 2517 HIS A 155