USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 880 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 64 HIS : no HE2:sc= -0.0737 K(o=1.9,f=-0.8!) USER MOD Set 1.2: B 41 TYR OH : rot -17:sc= 2.02 USER MOD Set 2.1: A 41 TYR OH : rot -20:sc= 1.98 USER MOD Set 2.2: B 64 HIS : no HE2:sc= -0.0488 K(o=1.9,f=-0.73!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.06) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.0158 (180deg=-0.128) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 43 MET CE :methyl 162:sc= -0.508 (180deg=-1.03) USER MOD Single : A 44 GLN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 46 MET CE :methyl -152:sc= -1.03 (180deg=-2.2!) USER MOD Single : A 47 ASN : amide:sc=-0.000597 X(o=-0.0006,f=-0.092) USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= 0.35 (180deg=-0.34) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 142:sc= -4.17! (180deg=-5.12!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -41:sc= 0.076 USER MOD Single : A 57 ASN : amide:sc= -2.76! C(o=-2.8!,f=-10!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 88:sc= 0.109 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00586) USER MOD Single : A 80 MET CE :methyl -140:sc= -0.321 (180deg=-3.7!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 SER OG : rot 180:sc= 0 USER MOD Single : B -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 177:sc= 1.06 (180deg=0.865) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 LYS NZ :NH3+ -171:sc= -0.0211 (180deg=-0.123) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : B 43 MET CE :methyl -124:sc= -0.648 (180deg=-1.09) USER MOD Single : B 44 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : B 46 MET CE :methyl -149:sc= -1.09 (180deg=-2.24!) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : B 49 LYS NZ :NH3+ -135:sc= 0.34 (180deg=-0.331) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl 143:sc= -4.15! (180deg=-5.12!) USER MOD Single : B 53 SER OG : rot -21:sc= 0.0333 USER MOD Single : B 54 SER OG : rot -23:sc= 0.219 USER MOD Single : B 57 ASN : amide:sc= -2.81! C(o=-2.8!,f=-11!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 86:sc= 0.102 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00113) USER MOD Single : B 80 MET CE :methyl -141:sc= -0.321 (180deg=-3.75!) USER MOD Single : B 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -8.290 -13.548 -11.785 1.00 7.36 N ATOM 2 CA GLY A -2 -6.840 -13.387 -11.528 1.00 7.04 C ATOM 3 C GLY A -2 -6.124 -12.775 -12.711 1.00 6.49 C ATOM 4 O GLY A -2 -6.479 -11.680 -13.152 1.00 6.41 O ATOM 0 H1 GLY A -2 -8.746 -13.970 -10.951 1.00 7.36 H new ATOM 0 H2 GLY A -2 -8.714 -12.618 -11.977 1.00 7.36 H new ATOM 0 H3 GLY A -2 -8.430 -14.169 -12.608 1.00 7.36 H new ATOM 0 HA2 GLY A -2 -6.694 -12.758 -10.650 1.00 7.04 H new ATOM 0 HA3 GLY A -2 -6.401 -14.358 -11.301 1.00 7.04 H new ATOM 10 N SER A -1 -5.122 -13.487 -13.223 1.00 6.40 N ATOM 11 CA SER A -1 -4.350 -13.036 -14.376 1.00 6.10 C ATOM 12 C SER A -1 -3.677 -11.693 -14.095 1.00 5.78 C ATOM 13 O SER A -1 -3.721 -10.774 -14.914 1.00 6.08 O ATOM 14 CB SER A -1 -5.250 -12.944 -15.607 1.00 6.39 C ATOM 15 OG SER A -1 -5.897 -14.184 -15.851 1.00 6.63 O ATOM 0 H SER A -1 -4.824 -14.389 -12.851 1.00 6.40 H new ATOM 0 HA SER A -1 -3.564 -13.766 -14.571 1.00 6.10 H new ATOM 0 HB2 SER A -1 -5.995 -12.162 -15.461 1.00 6.39 H new ATOM 0 HB3 SER A -1 -4.657 -12.661 -16.477 1.00 6.39 H new ATOM 0 HG SER A -1 -6.470 -14.104 -16.642 1.00 6.63 H new ATOM 21 N LYS A 32 -3.053 -11.588 -12.932 1.00 5.46 N ATOM 22 CA LYS A 32 -2.380 -10.362 -12.541 1.00 5.30 C ATOM 23 C LYS A 32 -0.993 -10.679 -12.001 1.00 4.83 C ATOM 24 O LYS A 32 -0.801 -11.691 -11.326 1.00 4.65 O ATOM 25 CB LYS A 32 -3.201 -9.619 -11.488 1.00 5.58 C ATOM 26 CG LYS A 32 -2.662 -8.236 -11.172 1.00 6.00 C ATOM 27 CD LYS A 32 -3.482 -7.546 -10.101 1.00 6.38 C ATOM 28 CE LYS A 32 -2.962 -6.147 -9.829 1.00 7.09 C ATOM 29 NZ LYS A 32 -3.753 -5.456 -8.781 1.00 7.47 N ATOM 0 H LYS A 32 -2.999 -12.338 -12.243 1.00 5.46 H new ATOM 0 HA LYS A 32 -2.279 -9.722 -13.417 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -4.230 -9.529 -11.836 1.00 5.58 H new ATOM 0 HB3 LYS A 32 -3.225 -10.210 -10.572 1.00 5.58 H new ATOM 0 HG2 LYS A 32 -1.626 -8.316 -10.842 1.00 6.00 H new ATOM 0 HG3 LYS A 32 -2.662 -7.630 -12.078 1.00 6.00 H new ATOM 0 HD2 LYS A 32 -4.525 -7.495 -10.414 1.00 6.38 H new ATOM 0 HD3 LYS A 32 -3.453 -8.133 -9.183 1.00 6.38 H new ATOM 0 HE2 LYS A 32 -1.918 -6.202 -9.519 1.00 7.09 H new ATOM 0 HE3 LYS A 32 -2.991 -5.564 -10.749 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 -3.345 -4.517 -8.601 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 -4.737 -5.351 -9.102 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 -3.733 -6.016 -7.905 1.00 7.47 H new ATOM 43 N GLU A 33 -0.034 -9.819 -12.301 1.00 4.81 N ATOM 44 CA GLU A 33 1.342 -10.043 -11.897 1.00 4.46 C ATOM 45 C GLU A 33 1.633 -9.368 -10.561 1.00 3.99 C ATOM 46 O GLU A 33 1.123 -8.283 -10.273 1.00 4.06 O ATOM 47 CB GLU A 33 2.304 -9.525 -12.969 1.00 4.70 C ATOM 48 CG GLU A 33 3.768 -9.778 -12.649 1.00 4.79 C ATOM 49 CD GLU A 33 4.700 -9.250 -13.714 1.00 4.98 C ATOM 50 OE1 GLU A 33 5.103 -8.071 -13.627 1.00 5.29 O ATOM 51 OE2 GLU A 33 5.047 -10.014 -14.634 1.00 5.18 O ATOM 0 H GLU A 33 -0.185 -8.957 -12.825 1.00 4.81 H new ATOM 0 HA GLU A 33 1.490 -11.117 -11.779 1.00 4.46 H new ATOM 0 HB2 GLU A 33 2.062 -9.998 -13.921 1.00 4.70 H new ATOM 0 HB3 GLU A 33 2.149 -8.454 -13.097 1.00 4.70 H new ATOM 0 HG2 GLU A 33 4.012 -9.311 -11.695 1.00 4.79 H new ATOM 0 HG3 GLU A 33 3.929 -10.849 -12.530 1.00 4.79 H new ATOM 58 N LYS A 34 2.447 -10.024 -9.750 1.00 3.73 N ATOM 59 CA LYS A 34 2.881 -9.468 -8.477 1.00 3.43 C ATOM 60 C LYS A 34 4.325 -8.983 -8.597 1.00 3.03 C ATOM 61 O LYS A 34 5.119 -9.554 -9.350 1.00 3.00 O ATOM 62 CB LYS A 34 2.748 -10.504 -7.343 1.00 3.71 C ATOM 63 CG LYS A 34 3.761 -11.650 -7.377 1.00 4.14 C ATOM 64 CD LYS A 34 3.458 -12.666 -8.468 1.00 4.58 C ATOM 65 CE LYS A 34 4.433 -13.832 -8.431 1.00 5.29 C ATOM 66 NZ LYS A 34 4.135 -14.840 -9.483 1.00 5.78 N ATOM 0 H LYS A 34 2.824 -10.950 -9.952 1.00 3.73 H new ATOM 0 HA LYS A 34 2.238 -8.624 -8.227 1.00 3.43 H new ATOM 0 HB2 LYS A 34 2.843 -9.986 -6.388 1.00 3.71 H new ATOM 0 HB3 LYS A 34 1.744 -10.928 -7.377 1.00 3.71 H new ATOM 0 HG2 LYS A 34 4.760 -11.243 -7.532 1.00 4.14 H new ATOM 0 HG3 LYS A 34 3.768 -12.152 -6.410 1.00 4.14 H new ATOM 0 HD2 LYS A 34 2.440 -13.038 -8.348 1.00 4.58 H new ATOM 0 HD3 LYS A 34 3.507 -12.180 -9.443 1.00 4.58 H new ATOM 0 HE2 LYS A 34 5.449 -13.460 -8.563 1.00 5.29 H new ATOM 0 HE3 LYS A 34 4.393 -14.308 -7.451 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 4.823 -15.618 -9.423 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 3.175 -15.215 -9.343 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 4.199 -14.393 -10.420 1.00 5.78 H new ATOM 80 N PRO A 35 4.675 -7.905 -7.874 1.00 2.87 N ATOM 81 CA PRO A 35 6.027 -7.341 -7.894 1.00 2.61 C ATOM 82 C PRO A 35 7.020 -8.204 -7.125 1.00 2.27 C ATOM 83 O PRO A 35 6.630 -9.107 -6.381 1.00 2.34 O ATOM 84 CB PRO A 35 5.853 -5.988 -7.203 1.00 2.80 C ATOM 85 CG PRO A 35 4.704 -6.190 -6.281 1.00 3.20 C ATOM 86 CD PRO A 35 3.778 -7.146 -6.983 1.00 3.15 C ATOM 0 HA PRO A 35 6.428 -7.272 -8.905 1.00 2.61 H new ATOM 0 HB2 PRO A 35 6.753 -5.700 -6.660 1.00 2.80 H new ATOM 0 HB3 PRO A 35 5.650 -5.196 -7.924 1.00 2.80 H new ATOM 0 HG2 PRO A 35 5.036 -6.597 -5.326 1.00 3.20 H new ATOM 0 HG3 PRO A 35 4.203 -5.246 -6.068 1.00 3.20 H new ATOM 0 HD2 PRO A 35 3.266 -7.800 -6.277 1.00 3.15 H new ATOM 0 HD3 PRO A 35 3.007 -6.618 -7.545 1.00 3.15 H new ATOM 94 N LYS A 36 8.301 -7.916 -7.294 1.00 2.07 N ATOM 95 CA LYS A 36 9.339 -8.682 -6.626 1.00 1.82 C ATOM 96 C LYS A 36 10.259 -7.760 -5.826 1.00 1.56 C ATOM 97 O LYS A 36 10.612 -6.670 -6.287 1.00 1.53 O ATOM 98 CB LYS A 36 10.151 -9.527 -7.620 1.00 1.80 C ATOM 99 CG LYS A 36 10.760 -8.759 -8.792 1.00 2.24 C ATOM 100 CD LYS A 36 9.744 -8.466 -9.893 1.00 2.52 C ATOM 101 CE LYS A 36 9.182 -9.740 -10.515 1.00 3.04 C ATOM 102 NZ LYS A 36 10.240 -10.586 -11.133 1.00 3.62 N ATOM 0 H LYS A 36 8.645 -7.160 -7.886 1.00 2.07 H new ATOM 0 HA LYS A 36 8.848 -9.368 -5.936 1.00 1.82 H new ATOM 0 HB2 LYS A 36 10.955 -10.023 -7.076 1.00 1.80 H new ATOM 0 HB3 LYS A 36 9.505 -10.310 -8.018 1.00 1.80 H new ATOM 0 HG2 LYS A 36 11.177 -7.820 -8.429 1.00 2.24 H new ATOM 0 HG3 LYS A 36 11.586 -9.335 -9.209 1.00 2.24 H new ATOM 0 HD2 LYS A 36 8.927 -7.874 -9.482 1.00 2.52 H new ATOM 0 HD3 LYS A 36 10.216 -7.863 -10.669 1.00 2.52 H new ATOM 0 HE2 LYS A 36 8.662 -10.316 -9.749 1.00 3.04 H new ATOM 0 HE3 LYS A 36 8.444 -9.476 -11.272 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 9.797 -11.348 -11.686 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 10.830 -10.002 -11.760 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 10.833 -11.000 -10.386 1.00 3.62 H new ATOM 116 N PRO A 37 10.641 -8.182 -4.608 1.00 1.50 N ATOM 117 CA PRO A 37 11.481 -7.383 -3.711 1.00 1.33 C ATOM 118 C PRO A 37 12.910 -7.240 -4.216 1.00 1.14 C ATOM 119 O PRO A 37 13.640 -8.225 -4.340 1.00 1.27 O ATOM 120 CB PRO A 37 11.472 -8.172 -2.392 1.00 1.52 C ATOM 121 CG PRO A 37 10.368 -9.158 -2.531 1.00 1.74 C ATOM 122 CD PRO A 37 10.282 -9.468 -3.993 1.00 1.75 C ATOM 0 HA PRO A 37 11.101 -6.365 -3.621 1.00 1.33 H new ATOM 0 HB2 PRO A 37 12.427 -8.671 -2.226 1.00 1.52 H new ATOM 0 HB3 PRO A 37 11.305 -7.512 -1.540 1.00 1.52 H new ATOM 0 HG2 PRO A 37 10.572 -10.058 -1.951 1.00 1.74 H new ATOM 0 HG3 PRO A 37 9.428 -8.748 -2.162 1.00 1.74 H new ATOM 0 HD2 PRO A 37 10.970 -10.263 -4.281 1.00 1.75 H new ATOM 0 HD3 PRO A 37 9.282 -9.792 -4.282 1.00 1.75 H new ATOM 130 N THR A 38 13.296 -6.012 -4.518 1.00 0.97 N ATOM 131 CA THR A 38 14.668 -5.701 -4.877 1.00 0.83 C ATOM 132 C THR A 38 15.140 -4.501 -4.067 1.00 0.72 C ATOM 133 O THR A 38 14.306 -3.705 -3.629 1.00 0.65 O ATOM 134 CB THR A 38 14.815 -5.391 -6.383 1.00 0.79 C ATOM 135 OG1 THR A 38 13.914 -4.342 -6.761 1.00 0.85 O ATOM 136 CG2 THR A 38 14.545 -6.626 -7.228 1.00 0.95 C ATOM 0 H THR A 38 12.670 -5.207 -4.521 1.00 0.97 H new ATOM 0 HA THR A 38 15.278 -6.577 -4.656 1.00 0.83 H new ATOM 0 HB THR A 38 15.842 -5.071 -6.560 1.00 0.79 H new ATOM 0 HG1 THR A 38 14.016 -4.152 -7.717 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.656 -6.376 -8.283 1.00 0.95 H new ATOM 0 HG22 THR A 38 15.255 -7.410 -6.964 1.00 0.95 H new ATOM 0 HG23 THR A 38 13.530 -6.978 -7.043 1.00 0.95 H new ATOM 144 N PRO A 39 16.449 -4.357 -3.814 1.00 0.74 N ATOM 145 CA PRO A 39 16.973 -3.212 -3.067 1.00 0.70 C ATOM 146 C PRO A 39 16.461 -1.887 -3.617 1.00 0.62 C ATOM 147 O PRO A 39 15.951 -1.059 -2.871 1.00 0.56 O ATOM 148 CB PRO A 39 18.480 -3.316 -3.256 1.00 0.78 C ATOM 149 CG PRO A 39 18.735 -4.763 -3.501 1.00 0.87 C ATOM 150 CD PRO A 39 17.516 -5.295 -4.209 1.00 0.83 C ATOM 0 HA PRO A 39 16.662 -3.232 -2.022 1.00 0.70 H new ATOM 0 HB2 PRO A 39 18.816 -2.708 -4.096 1.00 0.78 H new ATOM 0 HB3 PRO A 39 19.014 -2.964 -2.373 1.00 0.78 H new ATOM 0 HG2 PRO A 39 19.629 -4.902 -4.109 1.00 0.87 H new ATOM 0 HG3 PRO A 39 18.901 -5.292 -2.563 1.00 0.87 H new ATOM 0 HD2 PRO A 39 17.655 -5.312 -5.290 1.00 0.83 H new ATOM 0 HD3 PRO A 39 17.287 -6.315 -3.901 1.00 0.83 H new ATOM 158 N ASP A 40 16.571 -1.713 -4.931 1.00 0.66 N ATOM 159 CA ASP A 40 16.094 -0.500 -5.598 1.00 0.64 C ATOM 160 C ASP A 40 14.628 -0.232 -5.264 1.00 0.58 C ATOM 161 O ASP A 40 14.242 0.898 -4.960 1.00 0.58 O ATOM 162 CB ASP A 40 16.270 -0.633 -7.111 1.00 0.72 C ATOM 163 CG ASP A 40 15.687 0.538 -7.874 1.00 1.44 C ATOM 164 OD1 ASP A 40 16.269 1.639 -7.822 1.00 2.22 O ATOM 165 OD2 ASP A 40 14.652 0.352 -8.546 1.00 2.15 O ATOM 0 H ASP A 40 16.988 -2.399 -5.560 1.00 0.66 H new ATOM 0 HA ASP A 40 16.685 0.343 -5.239 1.00 0.64 H new ATOM 0 HB2 ASP A 40 17.332 -0.720 -7.343 1.00 0.72 H new ATOM 0 HB3 ASP A 40 15.794 -1.554 -7.448 1.00 0.72 H new ATOM 170 N TYR A 41 13.823 -1.286 -5.304 1.00 0.57 N ATOM 171 CA TYR A 41 12.409 -1.193 -4.956 1.00 0.54 C ATOM 172 C TYR A 41 12.240 -0.767 -3.498 1.00 0.46 C ATOM 173 O TYR A 41 11.348 0.018 -3.167 1.00 0.43 O ATOM 174 CB TYR A 41 11.723 -2.544 -5.193 1.00 0.61 C ATOM 175 CG TYR A 41 10.226 -2.518 -4.985 1.00 0.63 C ATOM 176 CD1 TYR A 41 9.673 -2.735 -3.730 1.00 0.64 C ATOM 177 CD2 TYR A 41 9.364 -2.272 -6.046 1.00 0.83 C ATOM 178 CE1 TYR A 41 8.304 -2.708 -3.539 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.998 -2.246 -5.860 1.00 0.88 C ATOM 180 CZ TYR A 41 7.478 -2.465 -4.604 1.00 0.73 C ATOM 181 OH TYR A 41 6.124 -2.428 -4.408 1.00 0.81 O ATOM 0 H TYR A 41 14.127 -2.221 -5.576 1.00 0.57 H new ATOM 0 HA TYR A 41 11.944 -0.439 -5.591 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.932 -2.873 -6.211 1.00 0.61 H new ATOM 0 HB3 TYR A 41 12.160 -3.284 -4.523 1.00 0.61 H new ATOM 0 HD1 TYR A 41 10.323 -2.928 -2.889 1.00 0.64 H new ATOM 0 HD2 TYR A 41 9.770 -2.098 -7.032 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.889 -2.877 -2.557 1.00 0.69 H new ATOM 0 HE2 TYR A 41 7.340 -2.055 -6.695 1.00 0.88 H new ATOM 0 HH TYR A 41 5.901 -2.894 -3.575 1.00 0.81 H new ATOM 191 N LEU A 42 13.123 -1.259 -2.640 1.00 0.44 N ATOM 192 CA LEU A 42 13.013 -1.020 -1.208 1.00 0.39 C ATOM 193 C LEU A 42 13.559 0.353 -0.831 1.00 0.37 C ATOM 194 O LEU A 42 13.054 0.995 0.088 1.00 0.34 O ATOM 195 CB LEU A 42 13.750 -2.117 -0.431 1.00 0.43 C ATOM 196 CG LEU A 42 13.736 -1.967 1.095 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.314 -1.940 1.628 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.523 -3.093 1.743 1.00 0.48 C ATOM 0 H LEU A 42 13.925 -1.827 -2.912 1.00 0.44 H new ATOM 0 HA LEU A 42 11.956 -1.044 -0.943 1.00 0.39 H new ATOM 0 HB2 LEU A 42 13.308 -3.080 -0.688 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.787 -2.142 -0.767 1.00 0.43 H new ATOM 0 HG LEU A 42 14.209 -1.018 1.347 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.334 -1.833 2.713 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.777 -1.098 1.190 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.809 -2.869 1.364 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.504 -2.973 2.826 1.00 0.48 H new ATOM 0 HD22 LEU A 42 14.076 -4.050 1.476 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.555 -3.064 1.393 1.00 0.48 H new ATOM 210 N MET A 43 14.564 0.820 -1.561 1.00 0.40 N ATOM 211 CA MET A 43 15.201 2.092 -1.244 1.00 0.40 C ATOM 212 C MET A 43 14.252 3.225 -1.579 1.00 0.37 C ATOM 213 O MET A 43 14.193 4.242 -0.887 1.00 0.36 O ATOM 214 CB MET A 43 16.512 2.274 -2.019 1.00 0.47 C ATOM 215 CG MET A 43 17.567 1.202 -1.763 1.00 0.63 C ATOM 216 SD MET A 43 17.972 0.994 -0.017 1.00 0.85 S ATOM 217 CE MET A 43 16.986 -0.446 0.398 1.00 0.55 C ATOM 0 H MET A 43 14.954 0.340 -2.372 1.00 0.40 H new ATOM 0 HA MET A 43 15.436 2.099 -0.180 1.00 0.40 H new ATOM 0 HB2 MET A 43 16.286 2.293 -3.085 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.935 3.246 -1.765 1.00 0.47 H new ATOM 0 HG2 MET A 43 17.212 0.252 -2.161 1.00 0.63 H new ATOM 0 HG3 MET A 43 18.474 1.458 -2.310 1.00 0.63 H new ATOM 0 HE1 MET A 43 17.358 -0.887 1.323 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.946 -0.149 0.531 1.00 0.55 H new ATOM 0 HE3 MET A 43 17.054 -1.178 -0.407 1.00 0.55 H new ATOM 227 N GLN A 44 13.482 3.014 -2.633 1.00 0.36 N ATOM 228 CA GLN A 44 12.493 3.987 -3.060 1.00 0.35 C ATOM 229 C GLN A 44 11.337 4.012 -2.071 1.00 0.30 C ATOM 230 O GLN A 44 10.760 5.063 -1.800 1.00 0.30 O ATOM 231 CB GLN A 44 11.990 3.666 -4.465 1.00 0.42 C ATOM 232 CG GLN A 44 13.044 3.847 -5.544 1.00 0.52 C ATOM 233 CD GLN A 44 12.554 3.410 -6.907 1.00 0.64 C ATOM 234 OE1 GLN A 44 11.989 4.201 -7.664 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.763 2.148 -7.229 1.00 0.75 N ATOM 0 H GLN A 44 13.524 2.174 -3.210 1.00 0.36 H new ATOM 0 HA GLN A 44 12.958 4.972 -3.087 1.00 0.35 H new ATOM 0 HB2 GLN A 44 11.632 2.637 -4.487 1.00 0.42 H new ATOM 0 HB3 GLN A 44 11.137 4.305 -4.691 1.00 0.42 H new ATOM 0 HG2 GLN A 44 13.341 4.895 -5.586 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.933 3.274 -5.280 1.00 0.52 H new ATOM 0 HE21 GLN A 44 13.235 1.526 -6.573 1.00 0.75 H new ATOM 0 HE22 GLN A 44 12.453 1.794 -8.134 1.00 0.75 H new ATOM 244 N LEU A 45 11.007 2.844 -1.525 1.00 0.27 N ATOM 245 CA LEU A 45 9.990 2.739 -0.487 1.00 0.25 C ATOM 246 C LEU A 45 10.383 3.509 0.762 1.00 0.23 C ATOM 247 O LEU A 45 9.525 4.070 1.447 1.00 0.23 O ATOM 248 CB LEU A 45 9.764 1.275 -0.114 1.00 0.29 C ATOM 249 CG LEU A 45 8.648 0.567 -0.875 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.576 -0.897 -0.471 1.00 0.38 C ATOM 251 CD2 LEU A 45 7.321 1.256 -0.608 1.00 0.31 C ATOM 0 H LEU A 45 11.432 1.955 -1.787 1.00 0.27 H new ATOM 0 HA LEU A 45 9.073 3.169 -0.889 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.693 0.729 -0.277 1.00 0.29 H new ATOM 0 HB3 LEU A 45 9.544 1.220 0.952 1.00 0.29 H new ATOM 0 HG LEU A 45 8.863 0.618 -1.942 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.775 -1.388 -1.023 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.524 -1.384 -0.698 1.00 0.38 H new ATOM 0 HD13 LEU A 45 8.378 -0.970 0.598 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.529 0.745 -1.155 1.00 0.31 H new ATOM 0 HD22 LEU A 45 7.103 1.225 0.460 1.00 0.31 H new ATOM 0 HD23 LEU A 45 7.377 2.294 -0.937 1.00 0.31 H new ATOM 263 N MET A 46 11.680 3.538 1.052 1.00 0.26 N ATOM 264 CA MET A 46 12.169 4.199 2.251 1.00 0.28 C ATOM 265 C MET A 46 11.819 5.675 2.221 1.00 0.27 C ATOM 266 O MET A 46 11.440 6.247 3.240 1.00 0.41 O ATOM 267 CB MET A 46 13.684 4.035 2.411 1.00 0.33 C ATOM 268 CG MET A 46 14.142 2.595 2.559 1.00 0.39 C ATOM 269 SD MET A 46 15.854 2.464 3.120 1.00 0.49 S ATOM 270 CE MET A 46 16.690 3.552 1.970 1.00 0.49 C ATOM 0 H MET A 46 12.406 3.113 0.475 1.00 0.26 H new ATOM 0 HA MET A 46 11.683 3.725 3.104 1.00 0.28 H new ATOM 0 HB2 MET A 46 14.179 4.475 1.545 1.00 0.33 H new ATOM 0 HB3 MET A 46 14.009 4.599 3.285 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.491 2.082 3.267 1.00 0.39 H new ATOM 0 HG3 MET A 46 14.037 2.084 1.602 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.721 3.223 1.842 1.00 0.49 H new ATOM 0 HE2 MET A 46 16.179 3.526 1.008 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.680 4.570 2.359 1.00 0.49 H new ATOM 280 N ASN A 47 11.900 6.285 1.044 1.00 0.24 N ATOM 281 CA ASN A 47 11.644 7.708 0.909 1.00 0.30 C ATOM 282 C ASN A 47 10.157 8.007 0.996 1.00 0.26 C ATOM 283 O ASN A 47 9.765 9.070 1.466 1.00 0.27 O ATOM 284 CB ASN A 47 12.201 8.213 -0.423 1.00 0.42 C ATOM 285 CG ASN A 47 11.798 9.646 -0.735 1.00 0.80 C ATOM 286 OD1 ASN A 47 10.826 9.887 -1.446 1.00 1.61 O ATOM 287 ND2 ASN A 47 12.529 10.605 -0.191 1.00 1.42 N ATOM 0 H ASN A 47 12.141 5.814 0.172 1.00 0.24 H new ATOM 0 HA ASN A 47 12.143 8.224 1.729 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.289 8.144 -0.404 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.854 7.562 -1.225 1.00 0.42 H new ATOM 0 HD21 ASN A 47 12.292 11.583 -0.357 1.00 1.42 H new ATOM 0 HD22 ASN A 47 13.330 10.366 0.394 1.00 1.42 H new ATOM 294 N ASP A 48 9.332 7.052 0.586 1.00 0.24 N ATOM 295 CA ASP A 48 7.885 7.251 0.579 1.00 0.24 C ATOM 296 C ASP A 48 7.363 7.267 2.011 1.00 0.25 C ATOM 297 O ASP A 48 6.626 8.168 2.413 1.00 0.30 O ATOM 298 CB ASP A 48 7.180 6.137 -0.212 1.00 0.25 C ATOM 299 CG ASP A 48 7.215 6.326 -1.722 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.998 7.164 -2.219 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.448 5.629 -2.426 1.00 0.74 O ATOM 0 H ASP A 48 9.636 6.136 0.255 1.00 0.24 H new ATOM 0 HA ASP A 48 7.672 8.205 0.097 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.644 5.182 0.034 1.00 0.25 H new ATOM 0 HB3 ASP A 48 6.141 6.079 0.112 1.00 0.25 H new ATOM 306 N LYS A 49 7.779 6.264 2.779 1.00 0.22 N ATOM 307 CA LYS A 49 7.391 6.135 4.181 1.00 0.27 C ATOM 308 C LYS A 49 7.914 7.312 5.009 1.00 0.32 C ATOM 309 O LYS A 49 7.295 7.720 5.990 1.00 0.44 O ATOM 310 CB LYS A 49 7.923 4.816 4.750 1.00 0.31 C ATOM 311 CG LYS A 49 6.998 4.159 5.768 1.00 0.59 C ATOM 312 CD LYS A 49 6.890 4.971 7.047 1.00 0.92 C ATOM 313 CE LYS A 49 5.813 4.425 7.971 1.00 1.45 C ATOM 314 NZ LYS A 49 4.456 4.520 7.369 1.00 2.10 N ATOM 0 H LYS A 49 8.393 5.519 2.449 1.00 0.22 H new ATOM 0 HA LYS A 49 6.302 6.140 4.236 1.00 0.27 H new ATOM 0 HB2 LYS A 49 8.093 4.121 3.928 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.890 4.999 5.219 1.00 0.31 H new ATOM 0 HG2 LYS A 49 6.007 4.037 5.331 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.368 3.161 6.003 1.00 0.59 H new ATOM 0 HD2 LYS A 49 7.850 4.965 7.564 1.00 0.92 H new ATOM 0 HD3 LYS A 49 6.666 6.009 6.801 1.00 0.92 H new ATOM 0 HE2 LYS A 49 6.032 3.384 8.206 1.00 1.45 H new ATOM 0 HE3 LYS A 49 5.831 4.975 8.912 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 3.781 4.853 8.086 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 4.475 5.190 6.574 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 4.162 3.583 7.025 1.00 2.10 H new ATOM 328 N LYS A 50 9.031 7.882 4.598 1.00 0.30 N ATOM 329 CA LYS A 50 9.614 8.993 5.336 1.00 0.37 C ATOM 330 C LYS A 50 8.964 10.300 4.907 1.00 0.39 C ATOM 331 O LYS A 50 8.732 11.190 5.726 1.00 0.43 O ATOM 332 CB LYS A 50 11.131 9.062 5.131 1.00 0.42 C ATOM 333 CG LYS A 50 11.892 7.893 5.739 1.00 1.14 C ATOM 334 CD LYS A 50 11.669 7.788 7.240 1.00 1.67 C ATOM 335 CE LYS A 50 12.491 6.660 7.842 1.00 2.35 C ATOM 336 NZ LYS A 50 12.233 6.492 9.296 1.00 3.05 N ATOM 0 H LYS A 50 9.550 7.600 3.767 1.00 0.30 H new ATOM 0 HA LYS A 50 9.427 8.831 6.398 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.341 9.103 4.062 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.504 9.990 5.565 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.577 6.966 5.260 1.00 1.14 H new ATOM 0 HG3 LYS A 50 12.957 8.009 5.538 1.00 1.14 H new ATOM 0 HD2 LYS A 50 11.937 8.731 7.717 1.00 1.67 H new ATOM 0 HD3 LYS A 50 10.611 7.618 7.442 1.00 1.67 H new ATOM 0 HE2 LYS A 50 12.261 5.729 7.324 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.551 6.860 7.683 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 12.815 5.712 9.664 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 12.476 7.371 9.796 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 11.227 6.275 9.447 1.00 3.05 H new ATOM 350 N LEU A 51 8.673 10.409 3.617 1.00 0.38 N ATOM 351 CA LEU A 51 8.018 11.587 3.068 1.00 0.44 C ATOM 352 C LEU A 51 6.615 11.729 3.646 1.00 0.42 C ATOM 353 O LEU A 51 6.198 12.827 4.006 1.00 0.47 O ATOM 354 CB LEU A 51 7.973 11.486 1.535 1.00 0.48 C ATOM 355 CG LEU A 51 7.887 12.812 0.771 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.295 12.606 -0.679 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.484 13.391 0.835 1.00 1.22 C ATOM 0 H LEU A 51 8.883 9.688 2.927 1.00 0.38 H new ATOM 0 HA LEU A 51 8.586 12.476 3.342 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.864 10.955 1.200 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.115 10.874 1.257 1.00 0.48 H new ATOM 0 HG LEU A 51 8.570 13.519 1.242 1.00 0.70 H new ATOM 0 HD11 LEU A 51 8.231 13.554 -1.213 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.319 12.235 -0.720 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.628 11.881 -1.145 1.00 1.10 H new ATOM 0 HD21 LEU A 51 6.453 14.331 0.285 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.779 12.687 0.391 1.00 1.22 H new ATOM 0 HD23 LEU A 51 6.211 13.570 1.875 1.00 1.22 H new ATOM 369 N MET A 52 5.898 10.612 3.774 1.00 0.39 N ATOM 370 CA MET A 52 4.545 10.638 4.319 1.00 0.37 C ATOM 371 C MET A 52 4.578 11.019 5.798 1.00 0.41 C ATOM 372 O MET A 52 3.659 11.656 6.307 1.00 0.47 O ATOM 373 CB MET A 52 3.859 9.273 4.136 1.00 0.33 C ATOM 374 CG MET A 52 4.538 8.139 4.883 1.00 1.29 C ATOM 375 SD MET A 52 3.757 6.531 4.620 1.00 1.25 S ATOM 376 CE MET A 52 3.859 6.386 2.838 1.00 0.31 C ATOM 0 H MET A 52 6.231 9.685 3.509 1.00 0.39 H new ATOM 0 HA MET A 52 3.970 11.387 3.775 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.825 9.349 4.472 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.832 9.030 3.074 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.581 8.083 4.571 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.536 8.365 5.949 1.00 1.29 H new ATOM 0 HE1 MET A 52 4.077 5.353 2.569 1.00 0.31 H new ATOM 0 HE2 MET A 52 2.909 6.684 2.394 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.653 7.033 2.465 1.00 0.31 H new ATOM 386 N SER A 53 5.658 10.645 6.475 1.00 0.40 N ATOM 387 CA SER A 53 5.821 10.953 7.889 1.00 0.47 C ATOM 388 C SER A 53 6.203 12.423 8.073 1.00 0.50 C ATOM 389 O SER A 53 6.111 12.974 9.172 1.00 0.62 O ATOM 390 CB SER A 53 6.882 10.038 8.506 1.00 0.52 C ATOM 391 OG SER A 53 6.936 10.191 9.913 1.00 1.15 O ATOM 0 H SER A 53 6.435 10.127 6.065 1.00 0.40 H new ATOM 0 HA SER A 53 4.874 10.780 8.399 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.659 9.000 8.259 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.857 10.266 8.075 1.00 0.52 H new ATOM 0 HG SER A 53 7.621 9.594 10.281 1.00 1.15 H new ATOM 397 N SER A 54 6.620 13.057 6.987 1.00 0.49 N ATOM 398 CA SER A 54 6.969 14.465 7.011 1.00 0.53 C ATOM 399 C SER A 54 5.736 15.303 6.690 1.00 0.53 C ATOM 400 O SER A 54 5.741 16.528 6.817 1.00 0.53 O ATOM 401 CB SER A 54 8.089 14.742 6.001 1.00 0.60 C ATOM 402 OG SER A 54 8.539 16.083 6.078 1.00 1.30 O ATOM 0 H SER A 54 6.724 12.613 6.074 1.00 0.49 H new ATOM 0 HA SER A 54 7.327 14.735 8.005 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.924 14.066 6.187 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.730 14.535 4.993 1.00 0.60 H new ATOM 0 HG SER A 54 7.771 16.680 6.195 1.00 1.30 H new ATOM 408 N LEU A 55 4.668 14.623 6.304 1.00 0.54 N ATOM 409 CA LEU A 55 3.440 15.289 5.912 1.00 0.57 C ATOM 410 C LEU A 55 2.418 15.253 7.044 1.00 0.65 C ATOM 411 O LEU A 55 1.980 14.182 7.462 1.00 0.65 O ATOM 412 CB LEU A 55 2.856 14.631 4.660 1.00 0.51 C ATOM 413 CG LEU A 55 3.707 14.757 3.394 1.00 0.53 C ATOM 414 CD1 LEU A 55 3.023 14.067 2.227 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.971 16.218 3.065 1.00 0.64 C ATOM 0 H LEU A 55 4.629 13.605 6.254 1.00 0.54 H new ATOM 0 HA LEU A 55 3.674 16.330 5.691 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.697 13.573 4.867 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.877 15.068 4.464 1.00 0.51 H new ATOM 0 HG LEU A 55 4.665 14.269 3.575 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.640 14.165 1.334 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.885 13.011 2.459 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.052 14.529 2.050 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.577 16.284 2.162 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.023 16.732 2.904 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.502 16.687 3.893 1.00 0.64 H new ATOM 427 N PRO A 56 2.019 16.433 7.547 1.00 0.81 N ATOM 428 CA PRO A 56 1.024 16.546 8.619 1.00 0.94 C ATOM 429 C PRO A 56 -0.394 16.342 8.096 1.00 0.88 C ATOM 430 O PRO A 56 -1.356 16.247 8.862 1.00 1.19 O ATOM 431 CB PRO A 56 1.217 17.974 9.122 1.00 1.14 C ATOM 432 CG PRO A 56 1.715 18.730 7.938 1.00 1.26 C ATOM 433 CD PRO A 56 2.509 17.754 7.109 1.00 0.98 C ATOM 0 HA PRO A 56 1.154 15.791 9.394 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.282 18.392 9.494 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.932 18.011 9.944 1.00 1.14 H new ATOM 0 HG2 PRO A 56 0.885 19.141 7.363 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.336 19.571 8.248 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.343 17.908 6.043 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.580 17.861 7.283 1.00 0.98 H new ATOM 441 N ASN A 57 -0.500 16.262 6.780 1.00 0.63 N ATOM 442 CA ASN A 57 -1.774 16.035 6.119 1.00 0.62 C ATOM 443 C ASN A 57 -1.951 14.551 5.834 1.00 0.57 C ATOM 444 O ASN A 57 -3.057 14.087 5.544 1.00 0.59 O ATOM 445 CB ASN A 57 -1.886 16.848 4.820 1.00 0.68 C ATOM 446 CG ASN A 57 -0.786 16.539 3.818 1.00 1.32 C ATOM 447 OD1 ASN A 57 0.338 16.210 4.187 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.103 16.650 2.538 1.00 1.73 N ATOM 0 H ASN A 57 0.291 16.352 6.142 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.568 16.370 6.786 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -2.854 16.650 4.359 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.859 17.911 5.062 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.403 16.460 1.821 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -2.047 16.926 2.269 1.00 1.73 H new ATOM 455 N PHE A 58 -0.858 13.799 5.949 1.00 0.62 N ATOM 456 CA PHE A 58 -0.894 12.364 5.723 1.00 0.70 C ATOM 457 C PHE A 58 -1.413 11.665 6.969 1.00 0.90 C ATOM 458 O PHE A 58 -0.657 11.132 7.787 1.00 1.77 O ATOM 459 CB PHE A 58 0.481 11.834 5.366 1.00 0.69 C ATOM 460 CG PHE A 58 0.477 10.391 4.947 1.00 0.65 C ATOM 461 CD1 PHE A 58 0.036 10.021 3.688 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.913 9.407 5.815 1.00 1.13 C ATOM 463 CE1 PHE A 58 0.029 8.694 3.304 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.909 8.081 5.436 1.00 1.15 C ATOM 465 CZ PHE A 58 0.467 7.723 4.178 1.00 0.69 C ATOM 0 H PHE A 58 0.061 14.164 6.198 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.562 12.162 4.886 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.896 12.437 4.559 1.00 0.69 H new ATOM 0 HB3 PHE A 58 1.142 11.953 6.225 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.306 10.778 2.998 1.00 0.89 H new ATOM 0 HD2 PHE A 58 1.260 9.680 6.801 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.319 8.418 2.320 1.00 0.90 H new ATOM 0 HE2 PHE A 58 1.252 7.322 6.124 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.465 6.685 3.880 1.00 0.69 H new ATOM 475 N SER A 59 -2.708 11.719 7.095 1.00 0.91 N ATOM 476 CA SER A 59 -3.432 11.122 8.203 1.00 1.02 C ATOM 477 C SER A 59 -4.923 11.223 7.925 1.00 1.10 C ATOM 478 O SER A 59 -5.686 10.297 8.188 1.00 1.84 O ATOM 479 CB SER A 59 -3.079 11.823 9.520 1.00 1.21 C ATOM 480 OG SER A 59 -3.189 13.234 9.396 1.00 1.84 O ATOM 0 H SER A 59 -3.312 12.188 6.420 1.00 0.91 H new ATOM 0 HA SER A 59 -3.149 10.074 8.301 1.00 1.02 H new ATOM 0 HB2 SER A 59 -3.742 11.472 10.311 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.063 11.559 9.815 1.00 1.21 H new ATOM 0 HG SER A 59 -2.960 13.656 10.250 1.00 1.84 H new ATOM 486 N GLY A 60 -5.321 12.361 7.371 1.00 0.91 N ATOM 487 CA GLY A 60 -6.700 12.559 6.992 1.00 0.87 C ATOM 488 C GLY A 60 -6.934 12.314 5.517 1.00 0.66 C ATOM 489 O GLY A 60 -8.029 11.920 5.116 1.00 0.73 O ATOM 0 H GLY A 60 -4.707 13.152 7.178 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.334 11.889 7.574 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -7.000 13.577 7.240 1.00 0.87 H new ATOM 493 N ILE A 61 -5.911 12.554 4.698 1.00 0.50 N ATOM 494 CA ILE A 61 -6.045 12.370 3.258 1.00 0.54 C ATOM 495 C ILE A 61 -6.128 10.895 2.879 1.00 0.73 C ATOM 496 O ILE A 61 -6.938 10.522 2.032 1.00 1.81 O ATOM 497 CB ILE A 61 -4.908 13.053 2.456 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.527 12.513 2.856 1.00 0.64 C ATOM 499 CG2 ILE A 61 -4.969 14.561 2.638 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.373 13.218 2.169 1.00 0.78 C ATOM 0 H ILE A 61 -4.992 12.872 5.004 1.00 0.50 H new ATOM 0 HA ILE A 61 -6.982 12.857 2.988 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.055 12.818 1.402 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.408 12.608 3.935 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.481 11.449 2.623 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.165 15.029 2.070 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -5.930 14.932 2.281 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -4.856 14.805 3.694 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.431 12.782 2.501 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.466 13.101 1.089 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.392 14.278 2.422 1.00 0.78 H new ATOM 512 N PHE A 62 -5.315 10.045 3.503 1.00 0.58 N ATOM 513 CA PHE A 62 -5.288 8.630 3.162 1.00 0.50 C ATOM 514 C PHE A 62 -5.369 7.798 4.436 1.00 0.51 C ATOM 515 O PHE A 62 -4.650 8.060 5.399 1.00 0.76 O ATOM 516 CB PHE A 62 -3.996 8.296 2.416 1.00 0.50 C ATOM 517 CG PHE A 62 -3.793 9.078 1.149 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.817 9.214 0.224 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.574 9.673 0.878 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.630 9.927 -0.937 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.384 10.388 -0.286 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.410 10.514 -1.191 1.00 0.59 C ATOM 0 H PHE A 62 -4.669 10.314 4.245 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.139 8.402 2.521 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.150 8.476 3.080 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.993 7.233 2.177 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.775 8.754 0.418 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.763 9.577 1.585 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.437 10.026 -1.648 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.428 10.849 -0.486 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.260 11.074 -2.102 1.00 0.59 H new ATOM 532 N THR A 63 -6.245 6.807 4.444 1.00 0.34 N ATOM 533 CA THR A 63 -6.476 6.004 5.635 1.00 0.38 C ATOM 534 C THR A 63 -5.581 4.761 5.672 1.00 0.30 C ATOM 535 O THR A 63 -4.878 4.517 6.651 1.00 0.38 O ATOM 536 CB THR A 63 -7.951 5.568 5.711 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.804 6.682 5.419 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.285 5.022 7.090 1.00 0.66 C ATOM 0 H THR A 63 -6.809 6.538 3.638 1.00 0.34 H new ATOM 0 HA THR A 63 -6.229 6.629 6.493 1.00 0.38 H new ATOM 0 HB THR A 63 -8.112 4.780 4.976 1.00 0.48 H new ATOM 0 HG1 THR A 63 -8.952 6.736 4.452 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.332 4.721 7.118 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.654 4.159 7.303 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.109 5.794 7.839 1.00 0.66 H new ATOM 546 N HIS A 64 -5.594 3.995 4.588 1.00 0.26 N ATOM 547 CA HIS A 64 -4.949 2.677 4.568 1.00 0.25 C ATOM 548 C HIS A 64 -3.513 2.762 4.079 1.00 0.25 C ATOM 549 O HIS A 64 -2.704 1.875 4.347 1.00 0.54 O ATOM 550 CB HIS A 64 -5.723 1.705 3.681 1.00 0.33 C ATOM 551 CG HIS A 64 -7.121 1.457 4.139 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.492 0.347 4.859 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.243 2.186 3.970 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.785 0.400 5.109 1.00 0.83 C ATOM 555 NE2 HIS A 64 -9.269 1.510 4.585 1.00 0.68 N ATOM 0 H HIS A 64 -6.042 4.258 3.710 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.947 2.311 5.595 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.747 2.096 2.664 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.188 0.756 3.645 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.865 -0.401 5.154 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.321 3.128 3.447 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.353 -0.341 5.652 1.00 0.83 H new ATOM 564 N LEU A 65 -3.210 3.840 3.378 1.00 0.32 N ATOM 565 CA LEU A 65 -1.945 3.979 2.663 1.00 0.22 C ATOM 566 C LEU A 65 -0.745 3.885 3.605 1.00 0.20 C ATOM 567 O LEU A 65 0.268 3.268 3.272 1.00 0.24 O ATOM 568 CB LEU A 65 -1.928 5.306 1.891 1.00 0.29 C ATOM 569 CG LEU A 65 -2.756 5.347 0.589 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.181 4.400 -0.447 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.219 5.000 0.836 1.00 0.99 C ATOM 0 H LEU A 65 -3.830 4.645 3.286 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.863 3.152 1.958 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.291 6.092 2.553 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.893 5.547 1.647 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.704 6.369 0.214 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.781 4.447 -1.356 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.155 4.689 -0.675 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.193 3.383 -0.056 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.767 5.040 -0.106 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.289 3.996 1.254 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.649 5.715 1.537 1.00 0.99 H new ATOM 583 N GLU A 66 -0.868 4.482 4.785 1.00 0.30 N ATOM 584 CA GLU A 66 0.218 4.483 5.761 1.00 0.40 C ATOM 585 C GLU A 66 0.638 3.062 6.149 1.00 0.38 C ATOM 586 O GLU A 66 1.829 2.732 6.137 1.00 0.38 O ATOM 587 CB GLU A 66 -0.188 5.289 7.002 1.00 0.53 C ATOM 588 CG GLU A 66 -1.534 4.899 7.593 1.00 0.88 C ATOM 589 CD GLU A 66 -1.862 5.684 8.844 1.00 1.12 C ATOM 590 OE1 GLU A 66 -1.589 5.178 9.952 1.00 1.75 O ATOM 591 OE2 GLU A 66 -2.392 6.809 8.726 1.00 1.75 O ATOM 0 H GLU A 66 -1.709 4.972 5.090 1.00 0.30 H new ATOM 0 HA GLU A 66 1.083 4.958 5.297 1.00 0.40 H new ATOM 0 HB2 GLU A 66 0.580 5.167 7.766 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.213 6.347 6.741 1.00 0.53 H new ATOM 0 HG2 GLU A 66 -2.315 5.061 6.850 1.00 0.88 H new ATOM 0 HG3 GLU A 66 -1.531 3.834 7.825 1.00 0.88 H new ATOM 598 N ARG A 67 -0.338 2.222 6.473 1.00 0.42 N ATOM 599 CA ARG A 67 -0.055 0.858 6.902 1.00 0.44 C ATOM 600 C ARG A 67 0.449 0.014 5.739 1.00 0.39 C ATOM 601 O ARG A 67 1.153 -0.976 5.934 1.00 0.40 O ATOM 602 CB ARG A 67 -1.299 0.201 7.499 1.00 0.54 C ATOM 603 CG ARG A 67 -0.977 -1.046 8.310 1.00 0.74 C ATOM 604 CD ARG A 67 -2.143 -2.010 8.358 1.00 0.86 C ATOM 605 NE ARG A 67 -2.223 -2.789 7.127 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.324 -2.939 6.407 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.468 -2.422 6.818 1.00 1.71 N ATOM 608 NH2 ARG A 67 -3.275 -3.631 5.278 1.00 2.07 N ATOM 0 H ARG A 67 -1.329 2.461 6.447 1.00 0.42 H new ATOM 0 HA ARG A 67 0.720 0.913 7.666 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.814 0.920 8.136 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -1.987 -0.062 6.695 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.111 -1.546 7.877 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.704 -0.757 9.325 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.032 -2.680 9.211 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.071 -1.458 8.505 1.00 0.86 H new ATOM 0 HE ARG A 67 -1.374 -3.249 6.799 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.507 -1.903 7.695 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.312 -2.542 6.258 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -2.394 -4.043 4.970 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.118 -3.752 4.717 1.00 2.07 H new ATOM 622 N LEU A 68 0.102 0.420 4.527 1.00 0.35 N ATOM 623 CA LEU A 68 0.457 -0.343 3.340 1.00 0.34 C ATOM 624 C LEU A 68 1.953 -0.285 3.044 1.00 0.31 C ATOM 625 O LEU A 68 2.481 -1.143 2.346 1.00 0.40 O ATOM 626 CB LEU A 68 -0.368 0.120 2.142 1.00 0.33 C ATOM 627 CG LEU A 68 -1.778 -0.461 2.085 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.524 0.073 0.883 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.727 -1.977 2.041 1.00 0.61 C ATOM 0 H LEU A 68 -0.425 1.273 4.340 1.00 0.35 H new ATOM 0 HA LEU A 68 0.220 -1.389 3.537 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.437 1.208 2.162 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.160 -0.149 1.227 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.310 -0.157 2.986 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.527 -0.352 0.859 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.592 1.159 0.950 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.991 -0.202 -0.027 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.741 -2.374 2.001 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.177 -2.297 1.156 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.226 -2.350 2.934 1.00 0.61 H new ATOM 641 N LEU A 69 2.647 0.693 3.613 1.00 0.27 N ATOM 642 CA LEU A 69 4.105 0.708 3.519 1.00 0.24 C ATOM 643 C LEU A 69 4.675 -0.117 4.660 1.00 0.25 C ATOM 644 O LEU A 69 5.709 -0.783 4.534 1.00 0.26 O ATOM 645 CB LEU A 69 4.694 2.127 3.563 1.00 0.25 C ATOM 646 CG LEU A 69 4.736 2.880 2.226 1.00 0.23 C ATOM 647 CD1 LEU A 69 6.020 3.665 2.097 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.588 1.932 1.056 1.00 0.30 C ATOM 0 H LEU A 69 2.238 1.470 4.133 1.00 0.27 H new ATOM 0 HA LEU A 69 4.379 0.285 2.553 1.00 0.24 H new ATOM 0 HB2 LEU A 69 4.114 2.718 4.272 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.709 2.066 3.955 1.00 0.25 H new ATOM 0 HG LEU A 69 3.895 3.573 2.212 1.00 0.23 H new ATOM 0 HD11 LEU A 69 6.030 4.191 1.143 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.088 4.387 2.911 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.869 2.984 2.145 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.622 2.496 0.124 1.00 0.30 H new ATOM 0 HD22 LEU A 69 5.401 1.206 1.071 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.634 1.410 1.129 1.00 0.30 H new ATOM 660 N ASP A 70 3.942 -0.134 5.756 1.00 0.29 N ATOM 661 CA ASP A 70 4.391 -0.819 6.944 1.00 0.35 C ATOM 662 C ASP A 70 4.431 -2.312 6.678 1.00 0.38 C ATOM 663 O ASP A 70 5.255 -3.028 7.239 1.00 0.43 O ATOM 664 CB ASP A 70 3.482 -0.495 8.130 1.00 0.43 C ATOM 665 CG ASP A 70 3.674 -1.447 9.292 1.00 0.91 C ATOM 666 OD1 ASP A 70 2.931 -2.445 9.376 1.00 1.62 O ATOM 667 OD2 ASP A 70 4.570 -1.205 10.125 1.00 1.56 O ATOM 0 H ASP A 70 3.033 0.320 5.845 1.00 0.29 H new ATOM 0 HA ASP A 70 5.395 -0.479 7.199 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.678 0.524 8.464 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.442 -0.530 7.805 1.00 0.43 H new ATOM 672 N GLU A 71 3.547 -2.781 5.804 1.00 0.42 N ATOM 673 CA GLU A 71 3.572 -4.170 5.392 1.00 0.50 C ATOM 674 C GLU A 71 4.459 -4.368 4.174 1.00 0.45 C ATOM 675 O GLU A 71 5.230 -5.310 4.139 1.00 0.48 O ATOM 676 CB GLU A 71 2.173 -4.677 5.079 1.00 0.61 C ATOM 677 CG GLU A 71 1.179 -4.446 6.201 1.00 0.94 C ATOM 678 CD GLU A 71 -0.124 -5.163 5.958 1.00 1.47 C ATOM 679 OE1 GLU A 71 -0.359 -6.206 6.600 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.909 -4.694 5.115 1.00 2.18 O ATOM 0 H GLU A 71 2.812 -2.221 5.373 1.00 0.42 H new ATOM 0 HA GLU A 71 3.980 -4.741 6.226 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.811 -4.185 4.177 1.00 0.61 H new ATOM 0 HB3 GLU A 71 2.222 -5.744 4.862 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.610 -4.786 7.143 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.991 -3.377 6.304 1.00 0.94 H new ATOM 687 N GLU A 72 4.362 -3.479 3.183 1.00 0.43 N ATOM 688 CA GLU A 72 5.137 -3.638 1.951 1.00 0.45 C ATOM 689 C GLU A 72 6.629 -3.541 2.249 1.00 0.42 C ATOM 690 O GLU A 72 7.415 -4.383 1.832 1.00 0.47 O ATOM 691 CB GLU A 72 4.755 -2.581 0.913 1.00 0.46 C ATOM 692 CG GLU A 72 5.421 -2.795 -0.439 1.00 0.57 C ATOM 693 CD GLU A 72 4.807 -3.935 -1.233 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.461 -4.979 -0.633 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.678 -3.797 -2.466 1.00 1.33 O ATOM 0 H GLU A 72 3.764 -2.653 3.208 1.00 0.43 H new ATOM 0 HA GLU A 72 4.909 -4.622 1.542 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.673 -2.585 0.782 1.00 0.46 H new ATOM 0 HB3 GLU A 72 5.026 -1.596 1.292 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.351 -1.876 -1.021 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.481 -2.996 -0.287 1.00 0.57 H new ATOM 702 N ILE A 73 6.994 -2.534 3.024 1.00 0.35 N ATOM 703 CA ILE A 73 8.382 -2.314 3.393 1.00 0.34 C ATOM 704 C ILE A 73 8.856 -3.454 4.271 1.00 0.40 C ATOM 705 O ILE A 73 9.981 -3.934 4.137 1.00 0.45 O ATOM 706 CB ILE A 73 8.561 -0.969 4.129 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.467 0.180 3.132 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.876 -0.913 4.894 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.599 1.541 3.767 1.00 0.27 C ATOM 0 H ILE A 73 6.343 -1.851 3.412 1.00 0.35 H new ATOM 0 HA ILE A 73 8.980 -2.277 2.482 1.00 0.34 H new ATOM 0 HB ILE A 73 7.760 -0.875 4.862 1.00 0.29 H new ATOM 0 HG12 ILE A 73 9.247 0.062 2.379 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.511 0.122 2.612 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.963 0.050 5.398 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.901 -1.713 5.634 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.707 -1.035 4.199 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.523 2.310 2.998 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.804 1.680 4.499 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.566 1.619 4.263 1.00 0.27 H new ATOM 721 N SER A 74 7.973 -3.910 5.141 1.00 0.41 N ATOM 722 CA SER A 74 8.303 -5.020 6.029 1.00 0.49 C ATOM 723 C SER A 74 8.518 -6.311 5.231 1.00 0.54 C ATOM 724 O SER A 74 9.538 -6.977 5.377 1.00 0.60 O ATOM 725 CB SER A 74 7.200 -5.228 7.071 1.00 0.52 C ATOM 726 OG SER A 74 7.541 -6.253 7.990 1.00 1.34 O ATOM 0 H SER A 74 7.031 -3.537 5.255 1.00 0.41 H new ATOM 0 HA SER A 74 9.230 -4.770 6.545 1.00 0.49 H new ATOM 0 HB2 SER A 74 7.027 -4.297 7.610 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.267 -5.483 6.569 1.00 0.52 H new ATOM 0 HG SER A 74 6.818 -6.361 8.643 1.00 1.34 H new ATOM 732 N ARG A 75 7.579 -6.617 4.345 1.00 0.55 N ATOM 733 CA ARG A 75 7.597 -7.888 3.627 1.00 0.63 C ATOM 734 C ARG A 75 8.748 -7.910 2.631 1.00 0.65 C ATOM 735 O ARG A 75 9.440 -8.916 2.498 1.00 0.72 O ATOM 736 CB ARG A 75 6.258 -8.169 2.920 1.00 0.74 C ATOM 737 CG ARG A 75 5.871 -7.137 1.876 1.00 0.76 C ATOM 738 CD ARG A 75 4.630 -7.549 1.101 1.00 1.25 C ATOM 739 NE ARG A 75 3.437 -7.592 1.948 1.00 1.84 N ATOM 740 CZ ARG A 75 2.381 -6.793 1.788 1.00 2.73 C ATOM 741 NH1 ARG A 75 2.403 -5.822 0.880 1.00 3.05 N ATOM 742 NH2 ARG A 75 1.312 -6.947 2.560 1.00 3.67 N ATOM 0 H ARG A 75 6.798 -6.006 4.106 1.00 0.55 H new ATOM 0 HA ARG A 75 7.745 -8.682 4.359 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.311 -9.148 2.443 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.469 -8.222 3.670 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.693 -6.178 2.363 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.700 -6.994 1.183 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.467 -6.849 0.282 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.792 -8.530 0.654 1.00 1.25 H new ATOM 0 HE ARG A 75 3.412 -8.274 2.706 1.00 1.84 H new ATOM 0 HH11 ARG A 75 3.231 -5.684 0.300 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.592 -5.215 0.763 1.00 3.05 H new ATOM 0 HH21 ARG A 75 1.299 -7.675 3.274 1.00 3.67 H new ATOM 0 HH22 ARG A 75 0.504 -6.337 2.439 1.00 3.67 H new ATOM 756 N VAL A 76 8.979 -6.775 1.977 1.00 0.62 N ATOM 757 CA VAL A 76 10.063 -6.640 1.010 1.00 0.67 C ATOM 758 C VAL A 76 11.426 -6.860 1.675 1.00 0.71 C ATOM 759 O VAL A 76 12.362 -7.333 1.038 1.00 0.84 O ATOM 760 CB VAL A 76 10.010 -5.250 0.320 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.305 -4.920 -0.408 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.845 -5.188 -0.654 1.00 0.58 C ATOM 0 H VAL A 76 8.424 -5.928 2.101 1.00 0.62 H new ATOM 0 HA VAL A 76 9.932 -7.409 0.249 1.00 0.67 H new ATOM 0 HB VAL A 76 9.872 -4.508 1.106 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.220 -3.939 -0.875 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.131 -4.913 0.303 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.493 -5.671 -1.175 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.821 -4.208 -1.130 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.966 -5.958 -1.416 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.912 -5.353 -0.116 1.00 0.58 H new ATOM 772 N ARG A 77 11.518 -6.562 2.967 1.00 0.65 N ATOM 773 CA ARG A 77 12.782 -6.686 3.689 1.00 0.73 C ATOM 774 C ARG A 77 13.179 -8.147 3.895 1.00 0.86 C ATOM 775 O ARG A 77 14.346 -8.502 3.731 1.00 0.98 O ATOM 776 CB ARG A 77 12.718 -5.969 5.040 1.00 0.75 C ATOM 777 CG ARG A 77 12.868 -4.461 4.933 1.00 0.81 C ATOM 778 CD ARG A 77 12.785 -3.798 6.299 1.00 0.84 C ATOM 779 NE ARG A 77 13.082 -2.369 6.235 1.00 1.39 N ATOM 780 CZ ARG A 77 12.651 -1.476 7.129 1.00 1.71 C ATOM 781 NH1 ARG A 77 11.916 -1.866 8.164 1.00 1.45 N ATOM 782 NH2 ARG A 77 12.970 -0.195 6.994 1.00 2.73 N ATOM 0 H ARG A 77 10.737 -6.234 3.535 1.00 0.65 H new ATOM 0 HA ARG A 77 13.545 -6.211 3.072 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.766 -6.198 5.520 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.503 -6.359 5.687 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.824 -4.221 4.468 1.00 0.81 H new ATOM 0 HG3 ARG A 77 12.088 -4.061 4.285 1.00 0.81 H new ATOM 0 HD2 ARG A 77 11.786 -3.942 6.711 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.484 -4.283 6.980 1.00 0.84 H new ATOM 0 HE ARG A 77 13.654 -2.033 5.460 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.679 -2.851 8.278 1.00 1.45 H new ATOM 0 HH12 ARG A 77 11.589 -1.180 8.845 1.00 1.45 H new ATOM 0 HH21 ARG A 77 13.544 0.107 6.207 1.00 2.73 H new ATOM 0 HH22 ARG A 77 12.641 0.487 7.677 1.00 2.73 H new ATOM 796 N LYS A 78 12.222 -8.994 4.250 1.00 0.90 N ATOM 797 CA LYS A 78 12.520 -10.395 4.509 1.00 1.08 C ATOM 798 C LYS A 78 12.434 -11.203 3.227 1.00 1.11 C ATOM 799 O LYS A 78 13.268 -12.068 2.969 1.00 1.32 O ATOM 800 CB LYS A 78 11.552 -10.979 5.534 1.00 1.13 C ATOM 801 CG LYS A 78 11.600 -10.304 6.891 1.00 1.35 C ATOM 802 CD LYS A 78 10.614 -9.157 6.955 1.00 2.01 C ATOM 803 CE LYS A 78 10.799 -8.311 8.203 1.00 2.67 C ATOM 804 NZ LYS A 78 10.527 -9.078 9.446 1.00 3.44 N ATOM 0 H LYS A 78 11.241 -8.738 4.364 1.00 0.90 H new ATOM 0 HA LYS A 78 13.534 -10.449 4.906 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.538 -10.907 5.141 1.00 1.13 H new ATOM 0 HB3 LYS A 78 11.771 -12.039 5.660 1.00 1.13 H new ATOM 0 HG2 LYS A 78 11.372 -11.030 7.672 1.00 1.35 H new ATOM 0 HG3 LYS A 78 12.607 -9.935 7.083 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.732 -8.529 6.072 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.598 -9.552 6.933 1.00 2.01 H new ATOM 0 HE2 LYS A 78 11.818 -7.926 8.231 1.00 2.67 H new ATOM 0 HE3 LYS A 78 10.134 -7.449 8.157 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 10.632 -8.452 10.270 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 9.557 -9.453 9.418 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 11.201 -9.867 9.522 1.00 3.44 H new ATOM 818 N ASP A 79 11.415 -10.908 2.430 1.00 1.01 N ATOM 819 CA ASP A 79 11.161 -11.633 1.179 1.00 1.19 C ATOM 820 C ASP A 79 12.291 -11.443 0.156 1.00 1.41 C ATOM 821 O ASP A 79 12.224 -11.969 -0.954 1.00 1.67 O ATOM 822 CB ASP A 79 9.815 -11.197 0.587 1.00 1.23 C ATOM 823 CG ASP A 79 9.260 -12.175 -0.433 1.00 1.58 C ATOM 824 OD1 ASP A 79 8.939 -13.321 -0.052 1.00 2.21 O ATOM 825 OD2 ASP A 79 9.104 -11.796 -1.611 1.00 1.94 O ATOM 0 H ASP A 79 10.743 -10.166 2.625 1.00 1.01 H new ATOM 0 HA ASP A 79 11.124 -12.697 1.415 1.00 1.19 H new ATOM 0 HB2 ASP A 79 9.093 -11.077 1.395 1.00 1.23 H new ATOM 0 HB3 ASP A 79 9.932 -10.221 0.117 1.00 1.23 H new ATOM 830 N MET A 80 13.323 -10.687 0.530 1.00 1.50 N ATOM 831 CA MET A 80 14.538 -10.585 -0.276 1.00 1.83 C ATOM 832 C MET A 80 15.180 -11.960 -0.435 1.00 2.15 C ATOM 833 O MET A 80 15.742 -12.284 -1.481 1.00 2.62 O ATOM 834 CB MET A 80 15.554 -9.645 0.379 1.00 2.04 C ATOM 835 CG MET A 80 15.150 -8.184 0.386 1.00 1.57 C ATOM 836 SD MET A 80 15.093 -7.462 -1.263 1.00 1.42 S ATOM 837 CE MET A 80 14.695 -5.767 -0.855 1.00 0.99 C ATOM 0 H MET A 80 13.341 -10.135 1.388 1.00 1.50 H new ATOM 0 HA MET A 80 14.256 -10.187 -1.251 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.718 -9.968 1.407 1.00 2.04 H new ATOM 0 HB3 MET A 80 16.507 -9.742 -0.141 1.00 2.04 H new ATOM 0 HG2 MET A 80 14.170 -8.086 0.854 1.00 1.57 H new ATOM 0 HG3 MET A 80 15.854 -7.621 0.999 1.00 1.57 H new ATOM 0 HE1 MET A 80 13.976 -5.378 -1.577 1.00 0.99 H new ATOM 0 HE2 MET A 80 14.264 -5.725 0.145 1.00 0.99 H new ATOM 0 HE3 MET A 80 15.602 -5.163 -0.885 1.00 0.99 H new ATOM 847 N TYR A 81 15.085 -12.759 0.618 1.00 2.56 N ATOM 848 CA TYR A 81 15.695 -14.076 0.643 1.00 3.12 C ATOM 849 C TYR A 81 14.673 -15.126 1.075 1.00 3.69 C ATOM 850 O TYR A 81 14.265 -15.943 0.226 1.00 4.24 O ATOM 851 CB TYR A 81 16.932 -14.081 1.562 1.00 3.70 C ATOM 852 CG TYR A 81 16.684 -13.569 2.971 1.00 4.11 C ATOM 853 CD1 TYR A 81 16.537 -12.211 3.228 1.00 4.28 C ATOM 854 CD2 TYR A 81 16.601 -14.449 4.043 1.00 4.77 C ATOM 855 CE1 TYR A 81 16.310 -11.746 4.510 1.00 4.93 C ATOM 856 CE2 TYR A 81 16.375 -13.992 5.326 1.00 5.51 C ATOM 857 CZ TYR A 81 16.230 -12.641 5.555 1.00 5.52 C ATOM 858 OH TYR A 81 16.001 -12.185 6.835 1.00 6.40 O ATOM 859 OXT TYR A 81 14.253 -15.114 2.248 1.00 4.07 O ATOM 0 H TYR A 81 14.586 -12.513 1.473 1.00 2.56 H new ATOM 0 HA TYR A 81 16.029 -14.329 -0.363 1.00 3.12 H new ATOM 0 HB2 TYR A 81 17.317 -15.099 1.623 1.00 3.70 H new ATOM 0 HB3 TYR A 81 17.711 -13.473 1.102 1.00 3.70 H new ATOM 0 HD1 TYR A 81 16.601 -11.507 2.412 1.00 4.28 H new ATOM 0 HD2 TYR A 81 16.715 -15.509 3.870 1.00 4.77 H new ATOM 0 HE1 TYR A 81 16.196 -10.687 4.692 1.00 4.93 H new ATOM 0 HE2 TYR A 81 16.312 -14.691 6.147 1.00 5.51 H new ATOM 0 HH TYR A 81 15.972 -12.945 7.453 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 9.559 -12.263 12.376 1.00 7.36 N ATOM 871 CA GLY B -2 8.105 -12.270 12.109 1.00 7.05 C ATOM 872 C GLY B -2 7.319 -11.704 13.270 1.00 6.50 C ATOM 873 O GLY B -2 7.549 -10.564 13.678 1.00 6.41 O ATOM 0 H1 GLY B -2 10.064 -12.658 11.557 1.00 7.36 H new ATOM 0 H2 GLY B -2 9.877 -11.287 12.541 1.00 7.36 H new ATOM 0 H3 GLY B -2 9.760 -12.839 13.218 1.00 7.36 H new ATOM 0 HA2 GLY B -2 7.897 -11.688 11.211 1.00 7.05 H new ATOM 0 HA3 GLY B -2 7.777 -13.290 11.910 1.00 7.05 H new ATOM 879 N SER B -1 6.397 -12.504 13.803 1.00 6.41 N ATOM 880 CA SER B -1 5.580 -12.104 14.944 1.00 6.10 C ATOM 881 C SER B -1 4.776 -10.843 14.630 1.00 5.79 C ATOM 882 O SER B -1 4.737 -9.897 15.418 1.00 6.09 O ATOM 883 CB SER B -1 6.466 -11.890 16.173 1.00 6.39 C ATOM 884 OG SER B -1 7.236 -13.053 16.445 1.00 6.64 O ATOM 0 H SER B -1 6.197 -13.443 13.457 1.00 6.41 H new ATOM 0 HA SER B -1 4.871 -12.904 15.157 1.00 6.10 H new ATOM 0 HB2 SER B -1 7.128 -11.040 16.007 1.00 6.39 H new ATOM 0 HB3 SER B -1 5.847 -11.648 17.036 1.00 6.39 H new ATOM 0 HG SER B -1 7.797 -12.897 17.233 1.00 6.64 H new ATOM 890 N LYS B 32 4.137 -10.838 13.471 1.00 5.47 N ATOM 891 CA LYS B 32 3.337 -9.703 13.047 1.00 5.31 C ATOM 892 C LYS B 32 1.992 -10.185 12.522 1.00 4.83 C ATOM 893 O LYS B 32 1.908 -11.234 11.884 1.00 4.65 O ATOM 894 CB LYS B 32 4.073 -8.909 11.969 1.00 5.58 C ATOM 895 CG LYS B 32 3.394 -7.598 11.619 1.00 6.01 C ATOM 896 CD LYS B 32 4.141 -6.854 10.529 1.00 6.39 C ATOM 897 CE LYS B 32 3.478 -5.525 10.221 1.00 7.09 C ATOM 898 NZ LYS B 32 4.191 -4.783 9.153 1.00 7.47 N ATOM 0 H LYS B 32 4.158 -11.611 12.806 1.00 5.47 H new ATOM 0 HA LYS B 32 3.169 -9.050 13.903 1.00 5.31 H new ATOM 0 HB2 LYS B 32 5.089 -8.705 12.308 1.00 5.58 H new ATOM 0 HB3 LYS B 32 4.154 -9.520 11.070 1.00 5.58 H new ATOM 0 HG2 LYS B 32 2.372 -7.793 11.292 1.00 6.01 H new ATOM 0 HG3 LYS B 32 3.330 -6.972 12.509 1.00 6.01 H new ATOM 0 HD2 LYS B 32 5.172 -6.686 10.840 1.00 6.39 H new ATOM 0 HD3 LYS B 32 4.176 -7.464 9.626 1.00 6.39 H new ATOM 0 HE2 LYS B 32 2.446 -5.697 9.916 1.00 7.09 H new ATOM 0 HE3 LYS B 32 3.446 -4.917 11.125 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 3.677 -3.905 8.938 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 5.153 -4.552 9.474 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 4.244 -5.372 8.297 1.00 7.47 H new ATOM 912 N GLU B 33 0.947 -9.424 12.794 1.00 4.82 N ATOM 913 CA GLU B 33 -0.395 -9.810 12.396 1.00 4.46 C ATOM 914 C GLU B 33 -0.751 -9.205 11.043 1.00 4.00 C ATOM 915 O GLU B 33 -0.340 -8.091 10.720 1.00 4.07 O ATOM 916 CB GLU B 33 -1.410 -9.371 13.454 1.00 4.70 C ATOM 917 CG GLU B 33 -2.837 -9.789 13.141 1.00 4.79 C ATOM 918 CD GLU B 33 -3.826 -9.336 14.190 1.00 4.98 C ATOM 919 OE1 GLU B 33 -4.321 -8.193 14.093 1.00 5.29 O ATOM 920 OE2 GLU B 33 -4.131 -10.127 15.103 1.00 5.19 O ATOM 0 H GLU B 33 1.002 -8.534 13.289 1.00 4.82 H new ATOM 0 HA GLU B 33 -0.426 -10.896 12.307 1.00 4.46 H new ATOM 0 HB2 GLU B 33 -1.121 -9.790 14.418 1.00 4.70 H new ATOM 0 HB3 GLU B 33 -1.372 -8.286 13.553 1.00 4.70 H new ATOM 0 HG2 GLU B 33 -3.127 -9.378 12.174 1.00 4.79 H new ATOM 0 HG3 GLU B 33 -2.881 -10.874 13.052 1.00 4.79 H new ATOM 927 N LYS B 34 -1.499 -9.959 10.255 1.00 3.73 N ATOM 928 CA LYS B 34 -1.981 -9.483 8.968 1.00 3.44 C ATOM 929 C LYS B 34 -3.470 -9.146 9.073 1.00 3.03 C ATOM 930 O LYS B 34 -4.202 -9.774 9.844 1.00 3.00 O ATOM 931 CB LYS B 34 -1.737 -10.530 7.860 1.00 3.71 C ATOM 932 CG LYS B 34 -2.622 -11.774 7.930 1.00 4.14 C ATOM 933 CD LYS B 34 -2.212 -12.725 9.046 1.00 4.59 C ATOM 934 CE LYS B 34 -3.059 -13.989 9.041 1.00 5.29 C ATOM 935 NZ LYS B 34 -2.654 -14.931 10.118 1.00 5.79 N ATOM 0 H LYS B 34 -1.788 -10.910 10.486 1.00 3.73 H new ATOM 0 HA LYS B 34 -1.427 -8.584 8.698 1.00 3.44 H new ATOM 0 HB2 LYS B 34 -1.887 -10.052 6.892 1.00 3.71 H new ATOM 0 HB3 LYS B 34 -0.694 -10.844 7.903 1.00 3.71 H new ATOM 0 HG2 LYS B 34 -3.658 -11.470 8.080 1.00 4.14 H new ATOM 0 HG3 LYS B 34 -2.579 -12.300 6.976 1.00 4.14 H new ATOM 0 HD2 LYS B 34 -1.161 -12.990 8.932 1.00 4.59 H new ATOM 0 HD3 LYS B 34 -2.312 -12.223 10.008 1.00 4.59 H new ATOM 0 HE2 LYS B 34 -4.109 -13.723 9.167 1.00 5.29 H new ATOM 0 HE3 LYS B 34 -2.969 -14.483 8.074 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 -3.255 -15.779 10.081 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 -1.660 -15.205 9.984 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 -2.764 -14.469 11.043 1.00 5.79 H new ATOM 949 N PRO B 35 -3.933 -8.137 8.323 1.00 2.88 N ATOM 950 CA PRO B 35 -5.338 -7.724 8.332 1.00 2.61 C ATOM 951 C PRO B 35 -6.236 -8.715 7.599 1.00 2.27 C ATOM 952 O PRO B 35 -5.753 -9.614 6.908 1.00 2.34 O ATOM 953 CB PRO B 35 -5.312 -6.381 7.604 1.00 2.80 C ATOM 954 CG PRO B 35 -4.149 -6.483 6.685 1.00 3.20 C ATOM 955 CD PRO B 35 -3.124 -7.313 7.407 1.00 3.15 C ATOM 0 HA PRO B 35 -5.744 -7.669 9.342 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -6.238 -6.208 7.056 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -5.195 -5.552 8.302 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -4.436 -6.950 5.743 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -3.753 -5.496 6.445 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -2.547 -7.928 6.717 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -2.413 -6.690 7.949 1.00 3.15 H new ATOM 963 N LYS B 36 -7.540 -8.556 7.755 1.00 2.08 N ATOM 964 CA LYS B 36 -8.493 -9.448 7.112 1.00 1.82 C ATOM 965 C LYS B 36 -9.505 -8.655 6.288 1.00 1.56 C ATOM 966 O LYS B 36 -9.975 -7.598 6.716 1.00 1.53 O ATOM 967 CB LYS B 36 -9.211 -10.347 8.136 1.00 1.80 C ATOM 968 CG LYS B 36 -9.898 -9.613 9.287 1.00 2.24 C ATOM 969 CD LYS B 36 -8.921 -9.180 10.376 1.00 2.52 C ATOM 970 CE LYS B 36 -8.224 -10.368 11.029 1.00 3.04 C ATOM 971 NZ LYS B 36 -9.181 -11.302 11.679 1.00 3.62 N ATOM 0 H LYS B 36 -7.963 -7.820 8.320 1.00 2.08 H new ATOM 0 HA LYS B 36 -7.932 -10.098 6.440 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -9.958 -10.942 7.610 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -8.485 -11.044 8.554 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -10.413 -8.735 8.897 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -10.658 -10.261 9.723 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -8.173 -8.513 9.947 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -9.456 -8.612 11.137 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -7.650 -10.907 10.276 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -7.514 -10.005 11.772 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -8.655 -12.006 12.235 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -9.815 -10.768 12.307 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -9.743 -11.786 10.950 1.00 3.62 H new ATOM 985 N PRO B 37 -9.834 -9.146 5.081 1.00 1.50 N ATOM 986 CA PRO B 37 -10.755 -8.466 4.167 1.00 1.33 C ATOM 987 C PRO B 37 -12.193 -8.463 4.670 1.00 1.15 C ATOM 988 O PRO B 37 -12.811 -9.517 4.826 1.00 1.28 O ATOM 989 CB PRO B 37 -10.662 -9.283 2.871 1.00 1.52 C ATOM 990 CG PRO B 37 -9.456 -10.138 3.028 1.00 1.75 C ATOM 991 CD PRO B 37 -9.333 -10.397 4.496 1.00 1.75 C ATOM 0 HA PRO B 37 -10.486 -7.416 4.051 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -11.556 -9.889 2.723 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -10.571 -8.632 2.002 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -9.562 -11.070 2.473 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -8.568 -9.637 2.643 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -9.926 -11.257 4.808 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -8.302 -10.598 4.788 1.00 1.75 H new ATOM 999 N THR B 38 -12.708 -7.275 4.937 1.00 0.97 N ATOM 1000 CA THR B 38 -14.105 -7.101 5.293 1.00 0.84 C ATOM 1001 C THR B 38 -14.700 -5.979 4.451 1.00 0.72 C ATOM 1002 O THR B 38 -13.956 -5.113 3.987 1.00 0.66 O ATOM 1003 CB THR B 38 -14.277 -6.763 6.790 1.00 0.79 C ATOM 1004 OG1 THR B 38 -13.482 -5.618 7.128 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.880 -7.941 7.670 1.00 0.95 C ATOM 0 H THR B 38 -12.172 -6.408 4.913 1.00 0.97 H new ATOM 0 HA THR B 38 -14.623 -8.041 5.100 1.00 0.84 H new ATOM 0 HB THR B 38 -15.330 -6.543 6.967 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.597 -5.409 8.078 1.00 0.85 H new ATOM 0 HG21 THR B 38 -14.012 -7.673 8.718 1.00 0.95 H new ATOM 0 HG22 THR B 38 -14.508 -8.800 7.433 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.835 -8.195 7.489 1.00 0.95 H new ATOM 1013 N PRO B 39 -16.019 -5.981 4.200 1.00 0.74 N ATOM 1014 CA PRO B 39 -16.661 -4.918 3.424 1.00 0.70 C ATOM 1015 C PRO B 39 -16.291 -3.533 3.938 1.00 0.62 C ATOM 1016 O PRO B 39 -15.874 -2.674 3.168 1.00 0.56 O ATOM 1017 CB PRO B 39 -18.148 -5.176 3.619 1.00 0.78 C ATOM 1018 CG PRO B 39 -18.247 -6.634 3.903 1.00 0.87 C ATOM 1019 CD PRO B 39 -16.980 -7.013 4.626 1.00 0.83 C ATOM 0 HA PRO B 39 -16.351 -4.933 2.379 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -18.547 -4.585 4.443 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -18.716 -4.907 2.729 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -19.123 -6.852 4.514 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -18.353 -7.203 2.980 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -17.119 -7.010 5.707 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -16.644 -8.013 4.350 1.00 0.83 H new ATOM 1027 N ASP B 40 -16.418 -3.336 5.248 1.00 0.65 N ATOM 1028 CA ASP B 40 -16.074 -2.061 5.882 1.00 0.64 C ATOM 1029 C ASP B 40 -14.645 -1.648 5.539 1.00 0.57 C ATOM 1030 O ASP B 40 -14.380 -0.491 5.210 1.00 0.57 O ATOM 1031 CB ASP B 40 -16.239 -2.166 7.399 1.00 0.72 C ATOM 1032 CG ASP B 40 -15.789 -0.913 8.124 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -16.458 0.131 7.992 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -14.773 -0.975 8.850 1.00 2.16 O ATOM 0 H ASP B 40 -16.758 -4.046 5.896 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.752 -1.298 5.500 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -17.285 -2.361 7.634 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -15.666 -3.018 7.765 1.00 0.72 H new ATOM 1039 N TYR B 41 -13.733 -2.608 5.603 1.00 0.57 N ATOM 1040 CA TYR B 41 -12.339 -2.374 5.249 1.00 0.54 C ATOM 1041 C TYR B 41 -12.217 -1.970 3.780 1.00 0.46 C ATOM 1042 O TYR B 41 -11.413 -1.104 3.423 1.00 0.43 O ATOM 1043 CB TYR B 41 -11.513 -3.634 5.522 1.00 0.61 C ATOM 1044 CG TYR B 41 -10.027 -3.455 5.309 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -9.455 -3.648 4.058 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -9.197 -3.088 6.359 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -8.099 -3.479 3.860 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -7.843 -2.920 6.166 1.00 0.88 C ATOM 1049 CZ TYR B 41 -7.302 -3.118 4.915 1.00 0.73 C ATOM 1050 OH TYR B 41 -5.960 -2.942 4.714 1.00 0.82 O ATOM 0 H TYR B 41 -13.935 -3.563 5.899 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.956 -1.558 5.862 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -11.686 -3.954 6.550 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -11.868 -4.436 4.875 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -10.081 -3.935 3.226 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -9.618 -2.932 7.341 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -7.669 -3.630 2.881 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -7.209 -2.634 6.992 1.00 0.88 H new ATOM 0 HH TYR B 41 -5.698 -3.364 3.870 1.00 0.82 H new ATOM 1060 N LEU B 42 -13.043 -2.575 2.937 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.955 -2.367 1.498 1.00 0.39 C ATOM 1062 C LEU B 42 -13.646 -1.068 1.083 1.00 0.36 C ATOM 1063 O LEU B 42 -13.212 -0.402 0.146 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.571 -3.555 0.754 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.573 -3.447 -0.777 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -12.161 -3.280 -1.311 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.237 -4.666 -1.395 1.00 0.48 C ATOM 0 H LEU B 42 -13.783 -3.215 3.226 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.901 -2.287 1.232 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -13.030 -4.458 1.036 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.599 -3.680 1.093 1.00 0.43 H new ATOM 0 HG LEU B 42 -14.146 -2.562 -1.054 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.190 -3.206 -2.398 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.720 -2.373 -0.897 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.558 -4.141 -1.022 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.230 -4.573 -2.481 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.692 -5.564 -1.104 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.266 -4.737 -1.044 1.00 0.48 H new ATOM 1079 N MET B 43 -14.695 -0.691 1.804 1.00 0.39 N ATOM 1080 CA MET B 43 -15.465 0.496 1.453 1.00 0.40 C ATOM 1081 C MET B 43 -14.640 1.734 1.756 1.00 0.36 C ATOM 1082 O MET B 43 -14.684 2.729 1.034 1.00 0.36 O ATOM 1083 CB MET B 43 -16.788 0.557 2.227 1.00 0.47 C ATOM 1084 CG MET B 43 -17.721 -0.628 2.002 1.00 0.63 C ATOM 1085 SD MET B 43 -18.100 -0.930 0.265 1.00 0.85 S ATOM 1086 CE MET B 43 -16.963 -2.264 -0.111 1.00 0.54 C ATOM 0 H MET B 43 -15.030 -1.186 2.630 1.00 0.39 H new ATOM 0 HA MET B 43 -15.700 0.450 0.390 1.00 0.40 H new ATOM 0 HB2 MET B 43 -16.566 0.628 3.292 1.00 0.47 H new ATOM 0 HB3 MET B 43 -17.313 1.471 1.949 1.00 0.47 H new ATOM 0 HG2 MET B 43 -17.267 -1.523 2.427 1.00 0.63 H new ATOM 0 HG3 MET B 43 -18.651 -0.455 2.543 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.335 -1.980 -0.956 1.00 0.54 H new ATOM 0 HE2 MET B 43 -16.335 -2.462 0.757 1.00 0.54 H new ATOM 0 HE3 MET B 43 -17.527 -3.162 -0.364 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.856 1.635 2.816 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.973 2.719 3.213 1.00 0.35 C ATOM 1098 C GLN B 44 -11.826 2.839 2.222 1.00 0.30 C ATOM 1099 O GLN B 44 -11.360 3.935 1.925 1.00 0.30 O ATOM 1100 CB GLN B 44 -12.436 2.489 4.624 1.00 0.42 C ATOM 1101 CG GLN B 44 -13.500 2.585 5.702 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.963 2.237 7.071 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -12.481 3.098 7.805 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -13.042 0.968 7.424 1.00 0.75 N ATOM 0 H GLN B 44 -13.813 0.813 3.419 1.00 0.36 H new ATOM 0 HA GLN B 44 -13.540 3.650 3.214 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.971 1.504 4.671 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -11.655 3.221 4.830 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.906 3.597 5.720 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -14.324 1.915 5.456 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -13.449 0.285 6.785 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -12.696 0.670 8.336 1.00 0.75 H new ATOM 1113 N LEU B 45 -11.376 1.697 1.706 1.00 0.27 N ATOM 1114 CA LEU B 45 -10.351 1.670 0.671 1.00 0.25 C ATOM 1115 C LEU B 45 -10.823 2.362 -0.595 1.00 0.23 C ATOM 1116 O LEU B 45 -10.029 2.990 -1.300 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.969 0.230 0.337 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.786 -0.334 1.114 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.556 -1.790 0.748 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.539 0.485 0.825 1.00 0.31 C ATOM 0 H LEU B 45 -11.708 0.776 1.991 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.483 2.202 1.060 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.835 -0.407 0.515 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.743 0.170 -0.728 1.00 0.29 H new ATOM 0 HG LEU B 45 -9.007 -0.278 2.180 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.707 -2.177 1.312 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -9.447 -2.371 0.988 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -8.349 -1.869 -0.319 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.697 0.076 1.384 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -7.318 0.448 -0.242 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.705 1.520 1.125 1.00 0.31 H new ATOM 1132 N MET B 46 -12.116 2.246 -0.883 1.00 0.26 N ATOM 1133 CA MET B 46 -12.672 2.818 -2.099 1.00 0.27 C ATOM 1134 C MET B 46 -12.481 4.323 -2.112 1.00 0.26 C ATOM 1135 O MET B 46 -12.166 4.901 -3.150 1.00 0.40 O ATOM 1136 CB MET B 46 -14.161 2.492 -2.251 1.00 0.33 C ATOM 1137 CG MET B 46 -14.461 1.008 -2.362 1.00 0.38 C ATOM 1138 SD MET B 46 -16.146 0.677 -2.920 1.00 0.49 S ATOM 1139 CE MET B 46 -17.096 1.696 -1.789 1.00 0.49 C ATOM 0 H MET B 46 -12.793 1.763 -0.293 1.00 0.26 H new ATOM 0 HA MET B 46 -12.137 2.373 -2.938 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.700 2.898 -1.395 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.544 2.997 -3.138 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.756 0.550 -3.056 1.00 0.38 H new ATOM 0 HG3 MET B 46 -14.305 0.536 -1.392 1.00 0.38 H new ATOM 0 HE1 MET B 46 -18.066 1.233 -1.609 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.559 1.790 -0.845 1.00 0.49 H new ATOM 0 HE3 MET B 46 -17.241 2.685 -2.224 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.626 4.955 -0.951 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.522 6.400 -0.855 1.00 0.30 C ATOM 1151 C ASN B 47 -11.075 6.849 -0.956 1.00 0.26 C ATOM 1152 O ASN B 47 -10.793 7.926 -1.466 1.00 0.28 O ATOM 1153 CB ASN B 47 -13.128 6.876 0.466 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.885 8.354 0.738 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -11.943 8.718 1.443 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -13.718 9.214 0.171 1.00 1.43 N ATOM 0 H ASN B 47 -12.816 4.485 -0.066 1.00 0.24 H new ATOM 0 HA ASN B 47 -13.073 6.841 -1.686 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -14.201 6.687 0.455 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.709 6.289 1.283 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -13.590 10.216 0.312 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -14.487 8.874 -0.407 1.00 1.43 H new ATOM 1163 N ASP B 48 -10.155 6.000 -0.520 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.737 6.350 -0.521 1.00 0.25 C ATOM 1165 C ASP B 48 -8.221 6.386 -1.955 1.00 0.25 C ATOM 1166 O ASP B 48 -7.584 7.350 -2.381 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.919 5.338 0.296 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.985 5.555 1.800 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.873 6.291 2.275 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.137 4.980 2.519 1.00 0.74 O ATOM 0 H ASP B 48 -10.361 5.067 -0.162 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.625 7.332 -0.062 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.274 4.333 0.069 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.878 5.388 -0.022 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.525 5.325 -2.695 1.00 0.22 N ATOM 1176 CA LYS B 49 -8.125 5.200 -4.094 1.00 0.27 C ATOM 1177 C LYS B 49 -8.771 6.293 -4.951 1.00 0.33 C ATOM 1178 O LYS B 49 -8.196 6.740 -5.943 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.514 3.817 -4.624 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.526 3.233 -5.627 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.507 4.018 -6.926 1.00 0.92 C ATOM 1182 CE LYS B 49 -6.381 3.565 -7.840 1.00 1.45 C ATOM 1183 NZ LYS B 49 -5.039 3.817 -7.246 1.00 2.10 N ATOM 0 H LYS B 49 -9.055 4.528 -2.343 1.00 0.22 H new ATOM 0 HA LYS B 49 -7.043 5.319 -4.154 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.609 3.131 -3.782 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.495 3.883 -5.094 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.527 3.228 -5.191 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.789 2.196 -5.834 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -8.462 3.898 -7.438 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -7.394 5.080 -6.708 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -6.490 2.501 -8.048 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -6.458 4.086 -8.794 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -4.413 4.232 -7.966 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -5.131 4.475 -6.446 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -4.634 2.920 -6.911 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.944 6.749 -4.554 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.642 7.770 -5.319 1.00 0.37 C ATOM 1199 C LYS B 50 -10.133 9.149 -4.928 1.00 0.39 C ATOM 1200 O LYS B 50 -9.982 10.028 -5.776 1.00 0.44 O ATOM 1201 CB LYS B 50 -12.156 7.684 -5.110 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.787 6.425 -5.687 1.00 1.14 C ATOM 1203 CD LYS B 50 -12.555 6.307 -7.185 1.00 1.67 C ATOM 1204 CE LYS B 50 -13.256 5.085 -7.756 1.00 2.35 C ATOM 1205 NZ LYS B 50 -12.979 4.908 -9.206 1.00 3.05 N ATOM 0 H LYS B 50 -10.431 6.434 -3.715 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.441 7.599 -6.377 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.369 7.729 -4.042 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.626 8.556 -5.565 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.373 5.550 -5.186 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -13.858 6.431 -5.485 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -12.920 7.205 -7.684 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -11.486 6.243 -7.386 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -12.933 4.196 -7.214 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.331 5.179 -7.602 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -13.476 4.063 -9.554 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -13.311 5.745 -9.727 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -11.956 4.792 -9.352 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.860 9.328 -3.640 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.335 10.582 -3.126 1.00 0.44 C ATOM 1221 C LEU B 51 -7.955 10.857 -3.713 1.00 0.43 C ATOM 1222 O LEU B 51 -7.657 11.982 -4.104 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.280 10.527 -1.592 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.335 11.874 -0.861 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.716 11.664 0.595 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -8.002 12.598 -0.946 1.00 1.22 C ATOM 0 H LEU B 51 -9.997 8.610 -2.928 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.994 11.398 -3.422 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -10.110 9.914 -1.242 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.362 10.017 -1.301 1.00 0.48 H new ATOM 0 HG LEU B 51 -10.091 12.490 -1.347 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.752 12.627 1.104 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.695 11.188 0.650 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.975 11.026 1.077 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -8.071 13.550 -0.419 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -7.225 11.985 -0.489 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.752 12.779 -1.991 1.00 1.22 H new ATOM 1238 N MET B 52 -7.123 9.820 -3.812 1.00 0.39 N ATOM 1239 CA MET B 52 -5.780 9.975 -4.359 1.00 0.37 C ATOM 1240 C MET B 52 -5.852 10.310 -5.847 1.00 0.41 C ATOM 1241 O MET B 52 -5.005 11.025 -6.375 1.00 0.47 O ATOM 1242 CB MET B 52 -4.951 8.696 -4.143 1.00 0.33 C ATOM 1243 CG MET B 52 -5.503 7.476 -4.860 1.00 1.29 C ATOM 1244 SD MET B 52 -4.553 5.971 -4.554 1.00 1.25 S ATOM 1245 CE MET B 52 -4.642 5.863 -2.767 1.00 0.32 C ATOM 0 H MET B 52 -7.356 8.870 -3.522 1.00 0.39 H new ATOM 0 HA MET B 52 -5.289 10.795 -3.835 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.931 8.874 -4.483 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.899 8.485 -3.075 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.534 7.315 -4.546 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.523 7.672 -5.932 1.00 1.29 H new ATOM 0 HE1 MET B 52 -4.729 4.818 -2.470 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.739 6.290 -2.331 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.512 6.415 -2.412 1.00 0.32 H new ATOM 1255 N SER B 53 -6.886 9.805 -6.514 1.00 0.41 N ATOM 1256 CA SER B 53 -7.081 10.056 -7.934 1.00 0.47 C ATOM 1257 C SER B 53 -7.617 11.472 -8.157 1.00 0.51 C ATOM 1258 O SER B 53 -7.583 12.000 -9.270 1.00 0.62 O ATOM 1259 CB SER B 53 -8.040 9.017 -8.523 1.00 0.52 C ATOM 1260 OG SER B 53 -8.120 9.125 -9.934 1.00 1.15 O ATOM 0 H SER B 53 -7.603 9.217 -6.089 1.00 0.41 H new ATOM 0 HA SER B 53 -6.120 9.971 -8.442 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.705 8.016 -8.252 1.00 0.52 H new ATOM 0 HB3 SER B 53 -9.032 9.149 -8.090 1.00 0.52 H new ATOM 0 HG SER B 53 -7.825 10.018 -10.211 1.00 1.15 H new ATOM 1266 N SER B 54 -8.100 12.086 -7.084 1.00 0.49 N ATOM 1267 CA SER B 54 -8.600 13.449 -7.141 1.00 0.54 C ATOM 1268 C SER B 54 -7.461 14.422 -6.844 1.00 0.53 C ATOM 1269 O SER B 54 -7.603 15.638 -6.990 1.00 0.53 O ATOM 1270 CB SER B 54 -9.740 13.630 -6.130 1.00 0.60 C ATOM 1271 OG SER B 54 -10.338 14.912 -6.239 1.00 1.30 O ATOM 0 H SER B 54 -8.155 11.657 -6.160 1.00 0.49 H new ATOM 0 HA SER B 54 -8.988 13.654 -8.139 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.495 12.861 -6.291 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.356 13.492 -5.119 1.00 0.60 H new ATOM 0 HG SER B 54 -9.703 15.536 -6.649 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.323 13.871 -6.450 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.172 14.674 -6.079 1.00 0.57 C ATOM 1279 C LEU B 55 -4.153 14.719 -7.214 1.00 0.65 C ATOM 1280 O LEU B 55 -3.601 13.689 -7.605 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.522 14.113 -4.812 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.381 14.177 -3.548 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.626 13.599 -2.365 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.801 15.605 -3.258 1.00 0.65 C ATOM 0 H LEU B 55 -6.173 12.864 -6.379 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.514 15.690 -5.883 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.251 13.073 -4.994 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.595 14.657 -4.629 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.279 13.581 -3.714 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.251 13.652 -1.473 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.372 12.559 -2.569 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.712 14.171 -2.202 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.411 15.629 -2.355 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.915 16.223 -3.113 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.380 15.992 -4.097 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.885 15.921 -7.750 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.907 16.110 -8.826 1.00 0.95 C ATOM 1298 C PRO B 56 -1.477 16.074 -8.297 1.00 0.88 C ATOM 1299 O PRO B 56 -0.511 16.069 -9.061 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.250 17.496 -9.368 1.00 1.14 C ATOM 1301 CG PRO B 56 -3.826 18.227 -8.204 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.513 17.194 -7.347 1.00 0.98 C ATOM 0 HA PRO B 56 -2.955 15.325 -9.581 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.364 18.001 -9.753 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.964 17.434 -10.189 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.045 18.739 -7.643 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.532 18.988 -8.535 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.365 17.394 -6.286 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.589 17.181 -7.522 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.362 16.040 -6.980 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.069 15.965 -6.319 1.00 0.62 C ATOM 1312 C ASN B 57 0.265 14.515 -5.998 1.00 0.57 C ATOM 1313 O ASN B 57 1.416 14.176 -5.712 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.044 16.819 -5.041 1.00 0.68 C ATOM 1315 CG ASN B 57 -1.103 16.424 -4.028 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -2.184 15.964 -4.387 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -0.801 16.608 -2.753 1.00 1.73 N ATOM 0 H ASN B 57 -2.157 16.063 -6.342 1.00 0.63 H new ATOM 0 HA ASN B 57 0.685 16.364 -6.997 1.00 0.62 H new ATOM 0 HB2 ASN B 57 0.939 16.737 -4.578 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.183 17.866 -5.310 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.477 16.365 -2.029 1.00 1.73 H new ATOM 0 HD22 ASN B 57 0.108 16.993 -2.494 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.742 13.651 -6.086 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.553 12.235 -5.821 1.00 0.70 C ATOM 1326 C PHE B 58 0.038 11.565 -7.048 1.00 0.90 C ATOM 1327 O PHE B 58 -0.657 10.943 -7.852 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.862 11.570 -5.448 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.703 10.147 -4.991 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.225 9.859 -3.722 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -2.032 9.097 -5.831 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.078 8.551 -3.302 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.887 7.790 -5.416 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.409 7.516 -4.150 1.00 0.69 C ATOM 0 H PHE B 58 -1.696 13.910 -6.339 1.00 0.62 H new ATOM 0 HA PHE B 58 0.131 12.129 -4.979 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.340 12.146 -4.656 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.531 11.594 -6.308 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.964 10.667 -3.054 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.406 9.304 -6.823 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.704 8.340 -2.311 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -2.147 6.980 -6.082 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.295 6.493 -3.825 1.00 0.69 H new ATOM 1344 N SER B 59 1.321 11.749 -7.181 1.00 0.91 N ATOM 1345 CA SER B 59 2.102 11.199 -8.275 1.00 1.02 C ATOM 1346 C SER B 59 3.574 11.464 -8.008 1.00 1.10 C ATOM 1347 O SER B 59 4.432 10.618 -8.257 1.00 1.84 O ATOM 1348 CB SER B 59 1.676 11.826 -9.607 1.00 1.21 C ATOM 1349 OG SER B 59 1.627 13.242 -9.514 1.00 1.84 O ATOM 0 H SER B 59 1.874 12.297 -6.522 1.00 0.91 H new ATOM 0 HA SER B 59 1.931 10.125 -8.342 1.00 1.02 H new ATOM 0 HB2 SER B 59 2.376 11.534 -10.390 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.697 11.444 -9.896 1.00 1.21 H new ATOM 0 HG SER B 59 1.354 13.617 -10.377 1.00 1.84 H new ATOM 1355 N GLY B 60 3.850 12.654 -7.483 1.00 0.91 N ATOM 1356 CA GLY B 60 5.199 13.009 -7.111 1.00 0.88 C ATOM 1357 C GLY B 60 5.455 12.825 -5.632 1.00 0.67 C ATOM 1358 O GLY B 60 6.584 12.549 -5.224 1.00 0.74 O ATOM 0 H GLY B 60 3.155 13.380 -7.309 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.902 12.399 -7.678 1.00 0.88 H new ATOM 0 HA3 GLY B 60 5.387 14.048 -7.383 1.00 0.88 H new ATOM 1362 N ILE B 61 4.414 12.980 -4.817 1.00 0.51 N ATOM 1363 CA ILE B 61 4.568 12.851 -3.374 1.00 0.54 C ATOM 1364 C ILE B 61 4.808 11.404 -2.955 1.00 0.73 C ATOM 1365 O ILE B 61 5.656 11.141 -2.104 1.00 1.81 O ATOM 1366 CB ILE B 61 3.365 13.430 -2.586 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.050 12.736 -2.968 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.264 14.930 -2.810 1.00 0.79 C ATOM 1369 CD1 ILE B 61 0.829 13.335 -2.298 1.00 0.79 C ATOM 0 H ILE B 61 3.466 13.193 -5.128 1.00 0.51 H new ATOM 0 HA ILE B 61 5.448 13.442 -3.122 1.00 0.54 H new ATOM 0 HB ILE B 61 3.537 13.241 -1.526 1.00 0.58 H new ATOM 0 HG12 ILE B 61 1.923 12.788 -4.049 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.117 11.680 -2.705 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.415 15.325 -2.251 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.180 15.412 -2.467 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.124 15.131 -3.872 1.00 0.79 H new ATOM 0 HD11 ILE B 61 -0.062 12.794 -2.615 1.00 0.79 H new ATOM 0 HD12 ILE B 61 0.934 13.259 -1.216 1.00 0.79 H new ATOM 0 HD13 ILE B 61 0.737 14.384 -2.581 1.00 0.79 H new ATOM 1381 N PHE B 62 4.088 10.458 -3.552 1.00 0.58 N ATOM 1382 CA PHE B 62 4.210 9.057 -3.173 1.00 0.50 C ATOM 1383 C PHE B 62 4.378 8.205 -4.423 1.00 0.51 C ATOM 1384 O PHE B 62 3.632 8.362 -5.388 1.00 0.76 O ATOM 1385 CB PHE B 62 2.961 8.609 -2.414 1.00 0.50 C ATOM 1386 CG PHE B 62 2.678 9.398 -1.168 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.682 9.667 -0.251 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.402 9.866 -0.911 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.418 10.387 0.892 1.00 0.53 C ATOM 1390 CE2 PHE B 62 1.136 10.587 0.233 1.00 0.68 C ATOM 1391 CZ PHE B 62 2.143 10.847 1.134 1.00 0.59 C ATOM 0 H PHE B 62 3.416 10.637 -4.298 1.00 0.58 H new ATOM 0 HA PHE B 62 5.081 8.937 -2.529 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.101 8.682 -3.079 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.070 7.558 -2.147 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.683 9.307 -0.436 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.607 9.665 -1.613 1.00 0.64 H new ATOM 0 HE1 PHE B 62 4.210 10.591 1.598 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.136 10.948 0.423 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.933 11.412 2.031 1.00 0.59 H new ATOM 1401 N THR B 63 5.355 7.313 -4.409 1.00 0.35 N ATOM 1402 CA THR B 63 5.672 6.507 -5.580 1.00 0.38 C ATOM 1403 C THR B 63 4.922 5.169 -5.583 1.00 0.30 C ATOM 1404 O THR B 63 4.268 4.810 -6.559 1.00 0.38 O ATOM 1405 CB THR B 63 7.186 6.236 -5.650 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.909 7.446 -5.383 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.581 5.696 -7.016 1.00 0.66 C ATOM 0 H THR B 63 5.945 7.127 -3.598 1.00 0.35 H new ATOM 0 HA THR B 63 5.353 7.078 -6.452 1.00 0.38 H new ATOM 0 HB THR B 63 7.434 5.487 -4.898 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.026 7.550 -4.416 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.655 5.513 -7.038 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.050 4.763 -7.206 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.321 6.424 -7.784 1.00 0.66 H new ATOM 1415 N HIS B 64 5.014 4.444 -4.475 1.00 0.26 N ATOM 1416 CA HIS B 64 4.510 3.067 -4.417 1.00 0.25 C ATOM 1417 C HIS B 64 3.073 3.010 -3.927 1.00 0.25 C ATOM 1418 O HIS B 64 2.363 2.036 -4.169 1.00 0.54 O ATOM 1419 CB HIS B 64 5.382 2.205 -3.507 1.00 0.34 C ATOM 1420 CG HIS B 64 6.799 2.092 -3.962 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.285 1.008 -4.653 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.839 2.937 -3.808 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.565 1.189 -4.902 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.932 2.357 -4.404 1.00 0.68 N ATOM 0 H HIS B 64 5.430 4.779 -3.606 1.00 0.26 H new ATOM 0 HA HIS B 64 4.546 2.678 -5.434 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.366 2.623 -2.501 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.950 1.206 -3.444 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.740 0.192 -4.929 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.816 3.894 -3.308 1.00 0.71 H new ATOM 0 HE1 HIS B 64 9.208 0.498 -5.426 1.00 0.83 H new ATOM 1433 N LEU B 65 2.658 4.069 -3.255 1.00 0.32 N ATOM 1434 CA LEU B 65 1.386 4.091 -2.540 1.00 0.22 C ATOM 1435 C LEU B 65 0.200 3.848 -3.477 1.00 0.21 C ATOM 1436 O LEU B 65 -0.742 3.138 -3.122 1.00 0.24 O ATOM 1437 CB LEU B 65 1.228 5.428 -1.804 1.00 0.29 C ATOM 1438 CG LEU B 65 2.046 5.592 -0.505 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.577 4.618 0.557 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.538 5.400 -0.745 1.00 0.99 C ATOM 0 H LEU B 65 3.188 4.938 -3.187 1.00 0.32 H new ATOM 0 HA LEU B 65 1.393 3.278 -1.814 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.506 6.230 -2.488 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.173 5.565 -1.564 1.00 0.29 H new ATOM 0 HG LEU B 65 1.883 6.612 -0.157 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.169 4.754 1.462 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.526 4.801 0.780 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.698 3.597 0.194 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.077 5.524 0.195 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.718 4.399 -1.137 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.889 6.140 -1.465 1.00 0.99 H new ATOM 1452 N GLU B 66 0.262 4.418 -4.674 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.817 4.279 -5.646 1.00 0.40 C ATOM 1454 C GLU B 66 -1.085 2.812 -5.997 1.00 0.38 C ATOM 1455 O GLU B 66 -2.233 2.359 -5.973 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.502 5.086 -6.911 1.00 0.53 C ATOM 1457 CG GLU B 66 0.877 4.829 -7.499 1.00 0.88 C ATOM 1458 CD GLU B 66 1.114 5.618 -8.766 1.00 1.12 C ATOM 1459 OE1 GLU B 66 0.867 5.073 -9.860 1.00 1.75 O ATOM 1460 OE2 GLU B 66 1.542 6.788 -8.678 1.00 1.75 O ATOM 0 H GLU B 66 1.049 4.982 -4.996 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.724 4.675 -5.189 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -1.253 4.859 -7.667 1.00 0.53 H new ATOM 0 HB3 GLU B 66 -0.592 6.148 -6.681 1.00 0.53 H new ATOM 0 HG2 GLU B 66 1.638 5.089 -6.763 1.00 0.88 H new ATOM 0 HG3 GLU B 66 0.988 3.765 -7.709 1.00 0.88 H new ATOM 1467 N ARG B 67 -0.024 2.072 -6.302 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.159 0.673 -6.694 1.00 0.44 C ATOM 1469 C ARG B 67 -0.568 -0.188 -5.504 1.00 0.39 C ATOM 1470 O ARG B 67 -1.155 -1.255 -5.668 1.00 0.40 O ATOM 1471 CB ARG B 67 1.148 0.136 -7.276 1.00 0.54 C ATOM 1472 CG ARG B 67 0.963 -1.158 -8.054 1.00 0.74 C ATOM 1473 CD ARG B 67 2.225 -1.994 -8.077 1.00 0.86 C ATOM 1474 NE ARG B 67 2.385 -2.726 -6.826 1.00 1.08 N ATOM 1475 CZ ARG B 67 3.493 -2.738 -6.101 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.580 -2.118 -6.526 1.00 1.71 N ATOM 1477 NH2 ARG B 67 3.515 -3.399 -4.953 1.00 2.07 N ATOM 0 H ARG B 67 0.936 2.416 -6.286 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.935 0.624 -7.458 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.584 0.889 -7.932 1.00 0.54 H new ATOM 0 HB3 ARG B 67 1.859 -0.031 -6.466 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.154 -1.736 -7.608 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.663 -0.926 -9.076 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.187 -2.695 -8.911 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.090 -1.351 -8.240 1.00 0.86 H new ATOM 0 HE ARG B 67 1.589 -3.266 -6.486 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.570 -1.625 -7.419 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.429 -2.132 -5.961 1.00 1.71 H new ATOM 0 HH21 ARG B 67 2.682 -3.894 -4.633 1.00 2.07 H new ATOM 0 HH22 ARG B 67 4.365 -3.413 -4.389 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.269 0.288 -4.305 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.541 -0.475 -3.098 1.00 0.34 C ATOM 1493 C LEU B 68 -2.035 -0.569 -2.801 1.00 0.31 C ATOM 1494 O LEU B 68 -2.469 -1.459 -2.076 1.00 0.41 O ATOM 1495 CB LEU B 68 0.230 0.102 -1.913 1.00 0.33 C ATOM 1496 CG LEU B 68 1.694 -0.327 -1.845 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.377 0.320 -0.660 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.801 -1.842 -1.760 1.00 0.62 C ATOM 0 H LEU B 68 0.162 1.198 -4.143 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.193 -1.494 -3.268 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.185 1.190 -1.960 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.267 -0.198 -0.991 1.00 0.33 H new ATOM 0 HG LEU B 68 2.195 0.002 -2.755 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.420 0.005 -0.624 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.329 1.404 -0.760 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.875 0.017 0.259 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.851 -2.130 -1.712 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.287 -2.193 -0.865 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.342 -2.289 -2.641 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.830 0.314 -3.394 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.280 0.175 -3.296 1.00 0.24 C ATOM 1512 C LEU B 69 -4.760 -0.739 -4.410 1.00 0.25 C ATOM 1513 O LEU B 69 -5.713 -1.510 -4.260 1.00 0.26 O ATOM 1514 CB LEU B 69 -5.018 1.520 -3.377 1.00 0.25 C ATOM 1515 CG LEU B 69 -5.139 2.299 -2.062 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.500 2.946 -1.948 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.893 1.403 -0.866 1.00 0.30 C ATOM 0 H LEU B 69 -2.507 1.116 -3.936 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.506 -0.248 -2.317 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.506 2.150 -4.104 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -6.021 1.339 -3.763 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.375 3.077 -2.071 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.565 3.494 -1.008 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.646 3.635 -2.780 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -7.272 2.177 -1.974 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.986 1.986 0.050 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.626 0.596 -0.859 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.890 0.981 -0.927 1.00 0.30 H new ATOM 1529 N ASP B 70 -4.028 -0.708 -5.507 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.404 -1.470 -6.677 1.00 0.35 C ATOM 1531 C ASP B 70 -4.284 -2.950 -6.370 1.00 0.38 C ATOM 1532 O ASP B 70 -5.026 -3.765 -6.910 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.537 -1.085 -7.875 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.630 -2.079 -9.016 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -2.769 -2.978 -9.095 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.559 -1.969 -9.841 1.00 1.56 O ATOM 0 H ASP B 70 -3.172 -0.164 -5.610 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.438 -1.245 -6.937 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.838 -0.100 -8.233 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.498 -1.004 -7.554 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.354 -3.299 -5.487 1.00 0.42 N ATOM 1542 CA GLU B 71 -3.230 -4.670 -5.040 1.00 0.50 C ATOM 1543 C GLU B 71 -4.091 -4.930 -3.815 1.00 0.46 C ATOM 1544 O GLU B 71 -4.757 -5.949 -3.751 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.785 -5.014 -4.716 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.822 -4.704 -5.844 1.00 0.94 C ATOM 1547 CD GLU B 71 0.545 -5.284 -5.593 1.00 1.47 C ATOM 1548 OE1 GLU B 71 0.876 -6.312 -6.219 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.286 -4.723 -4.765 1.00 2.18 O ATOM 0 H GLU B 71 -2.683 -2.652 -5.073 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.573 -5.303 -5.858 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.479 -4.463 -3.826 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.718 -6.074 -4.473 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -1.218 -5.101 -6.779 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.741 -3.624 -5.965 1.00 0.94 H new ATOM 1556 N GLU B 72 -4.091 -4.008 -2.849 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.848 -4.212 -1.611 1.00 0.45 C ATOM 1558 C GLU B 72 -6.341 -4.283 -1.909 1.00 0.42 C ATOM 1559 O GLU B 72 -7.029 -5.199 -1.475 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.581 -3.091 -0.603 1.00 0.46 C ATOM 1561 CG GLU B 72 -5.223 -3.340 0.755 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.489 -4.385 1.576 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.028 -5.397 0.999 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.374 -4.199 2.805 1.00 1.33 O ATOM 0 H GLU B 72 -3.583 -3.125 -2.898 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.518 -5.155 -1.174 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.505 -2.976 -0.473 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.955 -2.151 -1.008 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -5.254 -2.404 1.313 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -6.255 -3.659 0.610 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.811 -3.340 -2.705 1.00 0.35 N ATOM 1572 CA ILE B 73 -8.213 -3.281 -3.077 1.00 0.35 C ATOM 1573 C ILE B 73 -8.564 -4.488 -3.922 1.00 0.40 C ATOM 1574 O ILE B 73 -9.629 -5.084 -3.770 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.533 -1.984 -3.850 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.559 -0.804 -2.885 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.846 -2.091 -4.612 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.838 0.516 -3.556 1.00 0.27 C ATOM 0 H ILE B 73 -6.238 -2.599 -3.109 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.811 -3.284 -2.166 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.748 -1.824 -4.589 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.319 -0.984 -2.125 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.600 -0.745 -2.370 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -10.036 -1.158 -5.143 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.785 -2.910 -5.328 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.659 -2.281 -3.911 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.842 1.310 -2.809 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -8.065 0.718 -4.297 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.810 0.476 -4.048 1.00 0.27 H new ATOM 1590 N SER B 74 -7.635 -4.872 -4.784 1.00 0.41 N ATOM 1591 CA SER B 74 -7.844 -6.034 -5.641 1.00 0.49 C ATOM 1592 C SER B 74 -7.921 -7.318 -4.811 1.00 0.54 C ATOM 1593 O SER B 74 -8.862 -8.097 -4.940 1.00 0.60 O ATOM 1594 CB SER B 74 -6.724 -6.150 -6.677 1.00 0.52 C ATOM 1595 OG SER B 74 -6.946 -7.236 -7.564 1.00 1.34 O ATOM 0 H SER B 74 -6.738 -4.404 -4.910 1.00 0.41 H new ATOM 0 HA SER B 74 -8.792 -5.898 -6.161 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.656 -5.223 -7.246 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.769 -6.283 -6.169 1.00 0.52 H new ATOM 0 HG SER B 74 -6.214 -7.282 -8.214 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.956 -7.498 -3.918 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.839 -8.743 -3.165 1.00 0.63 C ATOM 1603 C ARG B 75 -7.983 -8.862 -2.166 1.00 0.65 C ATOM 1604 O ARG B 75 -8.560 -9.932 -2.006 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.479 -8.862 -2.456 1.00 0.74 C ATOM 1606 CG ARG B 75 -5.202 -7.766 -1.439 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.923 -8.022 -0.660 1.00 1.26 C ATOM 1608 NE ARG B 75 -2.732 -7.955 -1.509 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.766 -7.046 -1.372 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.891 -6.060 -0.488 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -0.687 -7.107 -2.144 1.00 3.67 N ATOM 0 H ARG B 75 -6.245 -6.801 -3.697 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.902 -9.567 -3.875 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.428 -9.828 -1.954 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.689 -8.852 -3.207 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -5.129 -6.807 -1.951 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -6.040 -7.694 -0.746 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.836 -7.289 0.142 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.977 -9.004 -0.190 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.635 -8.647 -2.252 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -2.729 -5.996 0.090 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -1.149 -5.368 -0.388 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -0.599 -7.848 -2.840 1.00 3.67 H new ATOM 0 HH22 ARG B 75 0.053 -6.413 -2.041 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.334 -7.744 -1.539 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.426 -7.698 -0.576 1.00 0.67 C ATOM 1627 C VAL B 76 -10.758 -8.080 -1.230 1.00 0.71 C ATOM 1628 O VAL B 76 -11.638 -8.632 -0.577 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.521 -6.291 0.074 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.842 -6.081 0.798 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.368 -6.080 1.044 1.00 0.59 C ATOM 0 H VAL B 76 -7.870 -6.847 -1.684 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.215 -8.428 0.205 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.464 -5.560 -0.733 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.862 -5.083 1.236 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.665 -6.183 0.091 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.947 -6.826 1.587 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.447 -5.090 1.493 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.408 -6.837 1.827 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.422 -6.162 0.508 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.880 -7.829 -2.529 1.00 0.66 N ATOM 1642 CA ARG B 77 -12.124 -8.104 -3.242 1.00 0.73 C ATOM 1643 C ARG B 77 -12.365 -9.602 -3.414 1.00 0.87 C ATOM 1644 O ARG B 77 -13.491 -10.073 -3.256 1.00 0.98 O ATOM 1645 CB ARG B 77 -12.134 -7.421 -4.610 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.445 -5.935 -4.547 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.435 -5.306 -5.930 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.878 -3.914 -5.902 1.00 1.38 N ATOM 1649 CZ ARG B 77 -12.551 -3.008 -6.822 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.781 -3.345 -7.852 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -12.999 -1.768 -6.710 1.00 2.73 N ATOM 0 H ARG B 77 -10.137 -7.438 -3.108 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.931 -7.698 -2.633 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.162 -7.560 -5.083 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.871 -7.911 -5.246 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.421 -5.786 -4.085 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.712 -5.435 -3.913 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.428 -5.358 -6.344 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.083 -5.879 -6.594 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.475 -3.618 -5.130 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.438 -4.301 -7.941 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -11.534 -2.647 -8.554 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -13.592 -1.509 -5.922 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -12.751 -1.071 -7.412 1.00 2.73 H new ATOM 1665 N LYS B 78 -11.321 -10.352 -3.745 1.00 0.90 N ATOM 1666 CA LYS B 78 -11.468 -11.781 -3.967 1.00 1.08 C ATOM 1667 C LYS B 78 -11.299 -12.543 -2.665 1.00 1.12 C ATOM 1668 O LYS B 78 -12.039 -13.483 -2.381 1.00 1.32 O ATOM 1669 CB LYS B 78 -10.440 -12.284 -4.977 1.00 1.13 C ATOM 1670 CG LYS B 78 -10.561 -11.659 -6.354 1.00 1.35 C ATOM 1671 CD LYS B 78 -9.706 -10.414 -6.455 1.00 2.01 C ATOM 1672 CE LYS B 78 -9.984 -9.630 -7.729 1.00 2.67 C ATOM 1673 NZ LYS B 78 -9.629 -10.401 -8.952 1.00 3.44 N ATOM 0 H LYS B 78 -10.372 -9.997 -3.864 1.00 0.90 H new ATOM 0 HA LYS B 78 -12.470 -11.952 -4.361 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.440 -12.089 -4.589 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -10.540 -13.365 -5.071 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -10.255 -12.379 -7.113 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -11.603 -11.408 -6.554 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.891 -9.777 -5.590 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.653 -10.694 -6.425 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -11.040 -9.361 -7.765 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -9.418 -8.699 -7.711 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -9.819 -9.822 -9.795 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -8.620 -10.651 -8.924 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -10.200 -11.269 -8.993 1.00 3.44 H new ATOM 1687 N ASP B 79 -10.313 -12.123 -1.880 1.00 1.02 N ATOM 1688 CA ASP B 79 -9.983 -12.784 -0.612 1.00 1.20 C ATOM 1689 C ASP B 79 -11.124 -12.688 0.410 1.00 1.42 C ATOM 1690 O ASP B 79 -11.001 -13.176 1.532 1.00 1.68 O ATOM 1691 CB ASP B 79 -8.691 -12.191 -0.036 1.00 1.24 C ATOM 1692 CG ASP B 79 -8.034 -13.083 1.000 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -7.613 -14.207 0.646 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -7.898 -12.655 2.162 1.00 1.94 O ATOM 0 H ASP B 79 -9.721 -11.321 -2.098 1.00 1.02 H new ATOM 0 HA ASP B 79 -9.835 -13.843 -0.821 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -7.988 -12.010 -0.849 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -8.912 -11.224 0.415 1.00 1.24 H new ATOM 1699 N MET B 80 -12.229 -12.054 0.023 1.00 1.50 N ATOM 1700 CA MET B 80 -13.449 -12.060 0.830 1.00 1.83 C ATOM 1701 C MET B 80 -13.938 -13.489 1.029 1.00 2.16 C ATOM 1702 O MET B 80 -14.455 -13.845 2.090 1.00 2.63 O ATOM 1703 CB MET B 80 -14.561 -11.253 0.150 1.00 2.04 C ATOM 1704 CG MET B 80 -14.318 -9.757 0.102 1.00 1.58 C ATOM 1705 SD MET B 80 -14.332 -8.991 1.732 1.00 1.43 S ATOM 1706 CE MET B 80 -14.120 -7.274 1.277 1.00 0.99 C ATOM 0 H MET B 80 -12.305 -11.528 -0.847 1.00 1.50 H new ATOM 0 HA MET B 80 -13.213 -11.606 1.793 1.00 1.83 H new ATOM 0 HB2 MET B 80 -14.687 -11.620 -0.869 1.00 2.04 H new ATOM 0 HB3 MET B 80 -15.499 -11.439 0.674 1.00 2.04 H new ATOM 0 HG2 MET B 80 -13.357 -9.565 -0.375 1.00 1.58 H new ATOM 0 HG3 MET B 80 -15.082 -9.290 -0.520 1.00 1.58 H new ATOM 0 HE1 MET B 80 -13.458 -6.787 1.993 1.00 0.99 H new ATOM 0 HE2 MET B 80 -13.684 -7.213 0.280 1.00 0.99 H new ATOM 0 HE3 MET B 80 -15.089 -6.774 1.280 1.00 0.99 H new ATOM 1716 N TYR B 81 -13.767 -14.301 -0.004 1.00 2.56 N ATOM 1717 CA TYR B 81 -14.235 -15.675 0.011 1.00 3.13 C ATOM 1718 C TYR B 81 -13.108 -16.623 -0.388 1.00 3.70 C ATOM 1719 O TYR B 81 -12.616 -17.362 0.490 1.00 4.25 O ATOM 1720 CB TYR B 81 -15.461 -15.840 -0.908 1.00 3.71 C ATOM 1721 CG TYR B 81 -15.264 -15.343 -2.333 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -15.261 -13.983 -2.627 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -15.086 -16.237 -3.381 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -15.084 -13.532 -3.921 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -14.907 -15.792 -4.677 1.00 5.51 C ATOM 1726 CZ TYR B 81 -14.906 -14.440 -4.942 1.00 5.53 C ATOM 1727 OH TYR B 81 -14.724 -13.996 -6.233 1.00 6.40 O ATOM 1728 OXT TYR B 81 -12.687 -16.602 -1.560 1.00 4.07 O ATOM 0 H TYR B 81 -13.303 -14.026 -0.870 1.00 2.56 H new ATOM 0 HA TYR B 81 -14.545 -15.930 1.025 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -15.733 -16.895 -0.941 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -16.303 -15.307 -0.466 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -15.399 -13.267 -1.830 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -15.088 -17.298 -3.180 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -15.085 -12.473 -4.131 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -14.768 -16.502 -5.479 1.00 5.51 H new ATOM 0 HH TYR B 81 -14.612 -14.765 -6.831 1.00 6.40 H new TER 1738 TYR B 81