USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1074 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 76 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.731) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.17) USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0.608 USER MOD Set 2.2: A 57 THR OG1 : rot -61:sc= 1.99 USER MOD Set 3.1: A 8 SER OG : rot -81:sc= 1.27 USER MOD Set 3.2: A 12 HIS : no HD1:sc= -0.115 K(o=1.2,f=-6!) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 2 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.043) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0357 USER MOD Single : A 7 SER OG : rot -25:sc= 0.107 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ 132:sc= 0.0414 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0945 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0412) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.96 K(o=-2,f=-0.76) USER MOD Single : A 20 GLN : amide:sc= 0.896 K(o=0.9,f=-5.5!) USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 0.412 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0.878 (180deg=0.826) USER MOD Single : A 27 MET CE :methyl -109:sc= -0.565 (180deg=-2.47) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc=-0.000624 (180deg=-0.0415) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0.987 (180deg=0.748) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 1.21 (180deg=0.648) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 150:sc= -0.0362 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.123 (180deg=-0.471) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.026 (180deg=-0.214) USER MOD Single : A 59 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.37) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.2! C(o=-1.2!,f=-6.7!) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0335) USER MOD Single : A 82 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -38:sc= 0.319 USER MOD Single : A 89 SER OG : rot 180:sc= -0.772 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 2.43 (180deg=1.73) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0935) USER MOD Single : A 102 HIS : no HD1:sc= -0.779 K(o=-0.78,f=-1.5) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= 2.49 (180deg=2.41) USER MOD Single : A 110 LYS NZ :NH3+ -117:sc= -0.539 (180deg=-2.25!) USER MOD Single : A 111 GLN : amide:sc= 0.22 X(o=0.22,f=-0.12) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.14) USER MOD Single : A 122 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.499) USER MOD Single : A 124 TYR OH : rot 81:sc= -0.495 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -23:sc= -0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -13.207 21.084 -19.005 1.00 12.20 N ATOM 2 CA GLY A -4 -12.673 19.751 -19.371 1.00 11.71 C ATOM 3 C GLY A -4 -11.592 19.299 -18.418 1.00 10.84 C ATOM 4 O GLY A -4 -10.885 20.125 -17.838 1.00 10.86 O ATOM 0 H1 GLY A -4 -13.240 21.689 -19.850 1.00 12.20 H new ATOM 0 H2 GLY A -4 -14.166 20.979 -18.617 1.00 12.20 H new ATOM 0 H3 GLY A -4 -12.590 21.521 -18.291 1.00 12.20 H new ATOM 0 HA2 GLY A -4 -13.484 19.023 -19.373 1.00 11.71 H new ATOM 0 HA3 GLY A -4 -12.273 19.785 -20.384 1.00 11.71 H new ATOM 9 N SER A -3 -11.460 17.992 -18.248 1.00 10.23 N ATOM 10 CA SER A -3 -10.467 17.436 -17.343 1.00 9.45 C ATOM 11 C SER A -3 -9.565 16.445 -18.074 1.00 8.46 C ATOM 12 O SER A -3 -9.908 15.271 -18.236 1.00 8.10 O ATOM 13 CB SER A -3 -11.153 16.762 -16.155 1.00 9.56 C ATOM 14 OG SER A -3 -11.931 17.693 -15.417 1.00 9.90 O ATOM 0 H SER A -3 -12.030 17.295 -18.727 1.00 10.23 H new ATOM 0 HA SER A -3 -9.845 18.250 -16.970 1.00 9.45 H new ATOM 0 HB2 SER A -3 -11.790 15.952 -16.511 1.00 9.56 H new ATOM 0 HB3 SER A -3 -10.402 16.314 -15.504 1.00 9.56 H new ATOM 0 HG SER A -3 -12.360 17.236 -14.664 1.00 9.90 H new ATOM 20 N PRO A -2 -8.411 16.916 -18.556 1.00 8.27 N ATOM 21 CA PRO A -2 -7.438 16.079 -19.239 1.00 7.59 C ATOM 22 C PRO A -2 -6.449 15.444 -18.270 1.00 6.73 C ATOM 23 O PRO A -2 -6.630 15.515 -17.050 1.00 6.54 O ATOM 24 CB PRO A -2 -6.740 17.077 -20.151 1.00 8.12 C ATOM 25 CG PRO A -2 -6.742 18.349 -19.379 1.00 8.87 C ATOM 26 CD PRO A -2 -7.958 18.316 -18.482 1.00 9.01 C ATOM 0 HA PRO A -2 -7.891 15.237 -19.762 1.00 7.59 H new ATOM 0 HB2 PRO A -2 -5.725 16.757 -20.387 1.00 8.12 H new ATOM 0 HB3 PRO A -2 -7.268 17.186 -21.098 1.00 8.12 H new ATOM 0 HG2 PRO A -2 -5.830 18.445 -18.790 1.00 8.87 H new ATOM 0 HG3 PRO A -2 -6.780 19.208 -20.049 1.00 8.87 H new ATOM 0 HD2 PRO A -2 -7.709 18.603 -17.460 1.00 9.01 H new ATOM 0 HD3 PRO A -2 -8.729 19.005 -18.828 1.00 9.01 H new ATOM 34 N GLU A -1 -5.408 14.825 -18.827 1.00 6.51 N ATOM 35 CA GLU A -1 -4.333 14.229 -18.039 1.00 6.05 C ATOM 36 C GLU A -1 -4.884 13.222 -17.031 1.00 5.17 C ATOM 37 O GLU A -1 -4.890 13.471 -15.825 1.00 5.34 O ATOM 38 CB GLU A -1 -3.526 15.318 -17.324 1.00 6.62 C ATOM 39 CG GLU A -1 -2.908 16.340 -18.266 1.00 7.11 C ATOM 40 CD GLU A -1 -2.128 17.413 -17.533 1.00 7.82 C ATOM 41 OE1 GLU A -1 -2.756 18.355 -17.000 1.00 8.12 O ATOM 42 OE2 GLU A -1 -0.882 17.324 -17.492 1.00 8.29 O ATOM 0 H GLU A -1 -5.288 14.724 -19.835 1.00 6.51 H new ATOM 0 HA GLU A -1 -3.671 13.695 -18.720 1.00 6.05 H new ATOM 0 HB2 GLU A -1 -4.176 15.835 -16.618 1.00 6.62 H new ATOM 0 HB3 GLU A -1 -2.733 14.847 -16.742 1.00 6.62 H new ATOM 0 HG2 GLU A -1 -2.246 15.830 -18.966 1.00 7.11 H new ATOM 0 HG3 GLU A -1 -3.696 16.808 -18.856 1.00 7.11 H new ATOM 49 N PHE A 0 -5.352 12.088 -17.539 1.00 4.52 N ATOM 50 CA PHE A 0 -5.913 11.041 -16.694 1.00 3.81 C ATOM 51 C PHE A 0 -4.844 10.436 -15.788 1.00 2.87 C ATOM 52 O PHE A 0 -3.651 10.462 -16.108 1.00 2.71 O ATOM 53 CB PHE A 0 -6.568 9.951 -17.545 1.00 4.15 C ATOM 54 CG PHE A 0 -5.622 9.245 -18.462 1.00 4.33 C ATOM 55 CD1 PHE A 0 -5.219 9.835 -19.642 1.00 4.43 C ATOM 56 CD2 PHE A 0 -5.139 7.994 -18.140 1.00 4.83 C ATOM 57 CE1 PHE A 0 -4.344 9.189 -20.488 1.00 4.95 C ATOM 58 CE2 PHE A 0 -4.264 7.338 -18.981 1.00 5.34 C ATOM 59 CZ PHE A 0 -3.878 7.933 -20.169 1.00 5.37 C ATOM 0 H PHE A 0 -5.354 11.870 -18.535 1.00 4.52 H new ATOM 0 HA PHE A 0 -6.677 11.495 -16.063 1.00 3.81 H new ATOM 0 HB2 PHE A 0 -7.032 9.219 -16.885 1.00 4.15 H new ATOM 0 HB3 PHE A 0 -7.367 10.398 -18.137 1.00 4.15 H new ATOM 0 HD1 PHE A 0 -5.593 10.813 -19.905 1.00 4.43 H new ATOM 0 HD2 PHE A 0 -5.449 7.523 -17.219 1.00 4.83 H new ATOM 0 HE1 PHE A 0 -4.024 9.668 -21.401 1.00 4.95 H new ATOM 0 HE2 PHE A 0 -3.882 6.364 -18.713 1.00 5.34 H new ATOM 0 HZ PHE A 0 -3.213 7.414 -20.844 1.00 5.37 H new ATOM 69 N HIS A 1 -5.270 9.890 -14.662 1.00 2.77 N ATOM 70 CA HIS A 1 -4.345 9.345 -13.675 1.00 2.43 C ATOM 71 C HIS A 1 -4.502 7.833 -13.595 1.00 2.13 C ATOM 72 O HIS A 1 -5.561 7.297 -13.918 1.00 2.87 O ATOM 73 CB HIS A 1 -4.602 9.977 -12.305 1.00 3.10 C ATOM 74 CG HIS A 1 -4.486 11.472 -12.308 1.00 3.96 C ATOM 75 ND1 HIS A 1 -5.576 12.309 -12.235 1.00 4.72 N ATOM 76 CD2 HIS A 1 -3.401 12.278 -12.386 1.00 4.59 C ATOM 77 CE1 HIS A 1 -5.170 13.561 -12.268 1.00 5.61 C ATOM 78 NE2 HIS A 1 -3.856 13.572 -12.358 1.00 5.54 N ATOM 0 H HIS A 1 -6.254 9.811 -14.405 1.00 2.77 H new ATOM 0 HA HIS A 1 -3.325 9.578 -13.980 1.00 2.43 H new ATOM 0 HB2 HIS A 1 -5.600 9.698 -11.966 1.00 3.10 H new ATOM 0 HB3 HIS A 1 -3.894 9.566 -11.585 1.00 3.10 H new ATOM 0 HD2 HIS A 1 -2.371 11.962 -12.457 1.00 4.59 H new ATOM 0 HE1 HIS A 1 -5.807 14.432 -12.228 1.00 5.61 H new ATOM 0 HE2 HIS A 1 -3.272 14.407 -12.400 1.00 5.54 H new ATOM 87 N HIS A 2 -3.446 7.147 -13.172 1.00 1.52 N ATOM 88 CA HIS A 2 -3.458 5.687 -13.127 1.00 1.53 C ATOM 89 C HIS A 2 -3.631 5.184 -11.699 1.00 1.34 C ATOM 90 O HIS A 2 -4.700 4.705 -11.330 1.00 2.13 O ATOM 91 CB HIS A 2 -2.176 5.109 -13.737 1.00 1.86 C ATOM 92 CG HIS A 2 -1.952 5.504 -15.165 1.00 2.38 C ATOM 93 ND1 HIS A 2 -2.426 4.778 -16.236 1.00 2.75 N ATOM 94 CD2 HIS A 2 -1.291 6.559 -15.696 1.00 3.17 C ATOM 95 CE1 HIS A 2 -2.065 5.368 -17.359 1.00 3.57 C ATOM 96 NE2 HIS A 2 -1.378 6.451 -17.058 1.00 3.83 N ATOM 0 H HIS A 2 -2.575 7.574 -12.857 1.00 1.52 H new ATOM 0 HA HIS A 2 -4.308 5.347 -13.718 1.00 1.53 H new ATOM 0 HB2 HIS A 2 -1.323 5.435 -13.142 1.00 1.86 H new ATOM 0 HB3 HIS A 2 -2.213 4.022 -13.672 1.00 1.86 H new ATOM 0 HD2 HIS A 2 -0.788 7.341 -15.147 1.00 3.17 H new ATOM 0 HE1 HIS A 2 -2.294 5.022 -18.356 1.00 3.57 H new ATOM 0 HE2 HIS A 2 -0.976 7.104 -17.731 1.00 3.83 H new ATOM 105 N PHE A 3 -2.580 5.301 -10.899 1.00 1.08 N ATOM 106 CA PHE A 3 -2.617 4.846 -9.515 1.00 0.89 C ATOM 107 C PHE A 3 -2.008 5.896 -8.595 1.00 0.90 C ATOM 108 O PHE A 3 -0.906 5.720 -8.073 1.00 1.22 O ATOM 109 CB PHE A 3 -1.874 3.514 -9.354 1.00 0.94 C ATOM 110 CG PHE A 3 -2.553 2.354 -10.028 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.641 1.733 -9.435 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.101 1.884 -11.253 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.267 0.667 -10.051 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.723 0.819 -11.872 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.806 0.209 -11.271 1.00 0.96 C ATOM 0 H PHE A 3 -1.689 5.708 -11.185 1.00 1.08 H new ATOM 0 HA PHE A 3 -3.660 4.693 -9.239 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.868 3.619 -9.759 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.769 3.294 -8.292 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.003 2.086 -8.481 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.253 2.357 -11.727 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -5.115 0.192 -9.580 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.363 0.463 -12.826 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.293 -0.626 -11.754 1.00 0.96 H new ATOM 125 N THR A 4 -2.714 7.000 -8.426 1.00 0.74 N ATOM 126 CA THR A 4 -2.282 8.070 -7.550 1.00 0.76 C ATOM 127 C THR A 4 -2.695 7.802 -6.108 1.00 0.71 C ATOM 128 O THR A 4 -3.540 6.944 -5.837 1.00 0.76 O ATOM 129 CB THR A 4 -2.881 9.409 -8.009 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.291 9.255 -8.226 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.214 9.893 -9.288 1.00 0.96 C ATOM 0 H THR A 4 -3.603 7.178 -8.893 1.00 0.74 H new ATOM 0 HA THR A 4 -1.194 8.119 -7.599 1.00 0.76 H new ATOM 0 HB THR A 4 -2.707 10.151 -7.230 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.672 10.110 -8.517 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.656 10.842 -9.592 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.147 10.029 -9.113 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.361 9.155 -10.077 1.00 0.96 H new ATOM 139 N LEU A 5 -2.092 8.534 -5.179 1.00 0.74 N ATOM 140 CA LEU A 5 -2.435 8.409 -3.772 1.00 0.77 C ATOM 141 C LEU A 5 -3.802 9.016 -3.487 1.00 0.67 C ATOM 142 O LEU A 5 -4.507 8.552 -2.595 1.00 0.73 O ATOM 143 CB LEU A 5 -1.386 9.080 -2.876 1.00 0.91 C ATOM 144 CG LEU A 5 -0.029 8.374 -2.775 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.779 8.532 -4.055 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.750 8.910 -1.585 1.00 1.67 C ATOM 0 H LEU A 5 -1.363 9.220 -5.377 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.460 7.343 -3.545 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.219 10.092 -3.244 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.801 9.170 -1.872 1.00 0.91 H new ATOM 0 HG LEU A 5 -0.213 7.309 -2.631 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.735 8.019 -3.948 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.227 8.100 -4.889 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.955 9.591 -4.246 1.00 1.67 H new ATOM 0 HD21 LEU A 5 1.712 8.402 -1.522 1.00 1.67 H new ATOM 0 HD22 LEU A 5 0.912 9.981 -1.709 1.00 1.67 H new ATOM 0 HD23 LEU A 5 0.185 8.732 -0.670 1.00 1.67 H new ATOM 158 N GLU A 6 -4.194 10.017 -4.279 1.00 0.60 N ATOM 159 CA GLU A 6 -5.576 10.494 -4.282 1.00 0.58 C ATOM 160 C GLU A 6 -6.465 9.328 -4.682 1.00 0.59 C ATOM 161 O GLU A 6 -7.476 9.099 -4.018 1.00 0.61 O ATOM 162 CB GLU A 6 -5.742 11.662 -5.257 1.00 0.62 C ATOM 163 CG GLU A 6 -4.882 12.865 -4.914 1.00 0.87 C ATOM 164 CD GLU A 6 -4.961 13.960 -5.960 1.00 1.35 C ATOM 165 OE1 GLU A 6 -6.041 14.573 -6.104 1.00 1.68 O ATOM 166 OE2 GLU A 6 -3.948 14.207 -6.650 1.00 1.80 O ATOM 0 H GLU A 6 -3.576 10.510 -4.923 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.853 10.858 -3.293 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.494 11.323 -6.263 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.789 11.966 -5.272 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.194 13.266 -3.950 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.845 12.546 -4.806 1.00 0.87 H new ATOM 173 N SER A 7 -6.139 8.592 -5.735 1.00 0.59 N ATOM 174 CA SER A 7 -6.984 7.490 -6.189 1.00 0.63 C ATOM 175 C SER A 7 -7.246 6.454 -5.085 1.00 0.62 C ATOM 176 O SER A 7 -8.162 5.638 -5.206 1.00 0.78 O ATOM 177 CB SER A 7 -6.340 6.813 -7.407 1.00 0.67 C ATOM 178 OG SER A 7 -7.212 5.861 -8.002 1.00 1.14 O ATOM 0 H SER A 7 -5.297 8.736 -6.292 1.00 0.59 H new ATOM 0 HA SER A 7 -7.951 7.912 -6.465 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.070 7.570 -8.144 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.416 6.320 -7.103 1.00 0.67 H new ATOM 0 HG SER A 7 -7.849 5.537 -7.331 1.00 1.14 H new ATOM 184 N SER A 8 -6.441 6.457 -4.024 1.00 0.53 N ATOM 185 CA SER A 8 -6.613 5.497 -2.944 1.00 0.52 C ATOM 186 C SER A 8 -7.336 6.035 -1.700 1.00 0.48 C ATOM 187 O SER A 8 -7.773 5.245 -0.871 1.00 0.48 O ATOM 188 CB SER A 8 -5.277 4.886 -2.549 1.00 0.57 C ATOM 189 OG SER A 8 -4.635 4.292 -3.671 1.00 1.02 O ATOM 0 H SER A 8 -5.669 7.110 -3.893 1.00 0.53 H new ATOM 0 HA SER A 8 -7.273 4.733 -3.355 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.633 5.655 -2.123 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.432 4.135 -1.774 1.00 0.57 H new ATOM 0 HG SER A 8 -5.010 3.400 -3.828 1.00 1.02 H new ATOM 195 N LEU A 9 -7.401 7.361 -1.527 1.00 0.47 N ATOM 196 CA LEU A 9 -7.696 7.963 -0.219 1.00 0.46 C ATOM 197 C LEU A 9 -9.011 7.549 0.447 1.00 0.46 C ATOM 198 O LEU A 9 -9.149 7.571 1.671 1.00 0.42 O ATOM 199 CB LEU A 9 -7.621 9.471 -0.320 1.00 0.49 C ATOM 200 CG LEU A 9 -6.251 9.996 -0.717 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.366 11.443 -1.110 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.241 9.805 0.410 1.00 0.78 C ATOM 0 H LEU A 9 -7.253 8.038 -2.276 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.926 7.563 0.441 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.355 9.813 -1.049 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.900 9.904 0.641 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.886 9.427 -1.572 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.384 11.822 -1.395 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -7.050 11.538 -1.953 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.747 12.020 -0.267 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.270 10.190 0.098 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.577 10.345 1.295 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.153 8.744 0.644 1.00 0.78 H new ATOM 214 N ASP A 10 -9.972 7.201 -0.394 1.00 0.51 N ATOM 215 CA ASP A 10 -11.261 6.703 0.079 1.00 0.53 C ATOM 216 C ASP A 10 -11.341 5.198 -0.051 1.00 0.54 C ATOM 217 O ASP A 10 -12.345 4.586 0.312 1.00 0.57 O ATOM 218 CB ASP A 10 -12.412 7.342 -0.704 1.00 0.57 C ATOM 219 CG ASP A 10 -12.671 8.775 -0.304 1.00 0.78 C ATOM 220 OD1 ASP A 10 -13.382 8.995 0.695 1.00 0.77 O ATOM 221 OD2 ASP A 10 -12.174 9.696 -0.991 1.00 1.32 O ATOM 0 H ASP A 10 -9.887 7.253 -1.409 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.350 6.973 1.131 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.186 7.303 -1.770 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.319 6.757 -0.549 1.00 0.57 H new ATOM 226 N THR A 11 -10.283 4.597 -0.554 1.00 0.54 N ATOM 227 CA THR A 11 -10.271 3.169 -0.764 1.00 0.56 C ATOM 228 C THR A 11 -9.088 2.496 -0.068 1.00 0.53 C ATOM 229 O THR A 11 -9.130 2.211 1.128 1.00 0.53 O ATOM 230 CB THR A 11 -10.265 2.813 -2.265 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.240 3.554 -2.948 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.616 3.106 -2.899 1.00 0.69 C ATOM 0 H THR A 11 -9.424 5.076 -0.824 1.00 0.54 H new ATOM 0 HA THR A 11 -11.191 2.789 -0.319 1.00 0.56 H new ATOM 0 HB THR A 11 -10.061 1.746 -2.357 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.245 3.319 -3.899 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.585 2.846 -3.957 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.386 2.516 -2.403 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.846 4.166 -2.792 1.00 0.69 H new ATOM 240 N HIS A 12 -8.028 2.258 -0.837 1.00 0.51 N ATOM 241 CA HIS A 12 -6.850 1.559 -0.325 1.00 0.49 C ATOM 242 C HIS A 12 -6.240 2.310 0.862 1.00 0.43 C ATOM 243 O HIS A 12 -5.847 1.698 1.851 1.00 0.43 O ATOM 244 CB HIS A 12 -5.796 1.358 -1.425 1.00 0.49 C ATOM 245 CG HIS A 12 -6.368 1.072 -2.784 1.00 0.57 C ATOM 246 ND1 HIS A 12 -5.911 1.677 -3.939 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.344 0.218 -3.172 1.00 0.90 C ATOM 248 CE1 HIS A 12 -6.584 1.200 -4.975 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.456 0.318 -4.534 1.00 0.66 N ATOM 0 H HIS A 12 -7.960 2.538 -1.815 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.177 0.577 0.016 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.176 2.252 -1.486 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.141 0.535 -1.139 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -7.927 -0.423 -2.527 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -6.442 1.486 -6.007 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.111 -0.207 -5.114 1.00 0.66 H new ATOM 258 N LEU A 13 -6.153 3.624 0.762 1.00 0.40 N ATOM 259 CA LEU A 13 -5.421 4.400 1.755 1.00 0.36 C ATOM 260 C LEU A 13 -6.347 5.173 2.690 1.00 0.34 C ATOM 261 O LEU A 13 -5.980 6.193 3.270 1.00 0.32 O ATOM 262 CB LEU A 13 -4.434 5.356 1.074 1.00 0.34 C ATOM 263 CG LEU A 13 -3.037 4.771 0.786 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.428 4.170 2.044 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.084 3.724 -0.315 1.00 0.84 C ATOM 0 H LEU A 13 -6.574 4.174 0.013 1.00 0.40 H new ATOM 0 HA LEU A 13 -4.866 3.688 2.366 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -4.870 5.691 0.133 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.317 6.239 1.703 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.409 5.595 0.447 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.443 3.764 1.813 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.333 4.943 2.807 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.071 3.372 2.414 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.081 3.335 -0.490 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -3.742 2.909 -0.014 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.462 4.177 -1.232 1.00 0.84 H new ATOM 277 N LYS A 14 -7.565 4.650 2.817 1.00 0.38 N ATOM 278 CA LYS A 14 -8.630 5.298 3.576 1.00 0.38 C ATOM 279 C LYS A 14 -8.350 5.294 5.079 1.00 0.35 C ATOM 280 O LYS A 14 -8.897 6.104 5.821 1.00 0.36 O ATOM 281 CB LYS A 14 -9.964 4.602 3.293 1.00 0.45 C ATOM 282 CG LYS A 14 -10.081 3.209 3.899 1.00 0.64 C ATOM 283 CD LYS A 14 -11.333 2.480 3.421 1.00 0.67 C ATOM 284 CE LYS A 14 -12.609 3.245 3.746 1.00 1.26 C ATOM 285 NZ LYS A 14 -12.789 3.440 5.209 1.00 1.69 N ATOM 0 H LYS A 14 -7.841 3.763 2.395 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.678 6.338 3.255 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.774 5.223 3.677 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.102 4.530 2.214 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.199 2.625 3.637 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.100 3.287 4.986 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -11.270 2.324 2.344 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.375 1.494 3.884 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.584 4.216 3.252 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -13.467 2.705 3.345 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.717 3.874 5.390 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -12.737 2.520 5.691 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -12.039 4.063 5.571 1.00 1.69 H new ATOM 299 N TRP A 15 -7.499 4.374 5.509 1.00 0.34 N ATOM 300 CA TRP A 15 -7.173 4.222 6.926 1.00 0.33 C ATOM 301 C TRP A 15 -6.212 5.312 7.391 1.00 0.29 C ATOM 302 O TRP A 15 -5.937 5.439 8.584 1.00 0.29 O ATOM 303 CB TRP A 15 -6.545 2.850 7.165 1.00 0.35 C ATOM 304 CG TRP A 15 -5.370 2.601 6.277 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.403 2.088 5.020 1.00 0.34 C ATOM 306 CD2 TRP A 15 -3.992 2.861 6.574 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.137 2.015 4.508 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.248 2.481 5.445 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.317 3.380 7.683 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.861 2.601 5.391 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -1.942 3.497 7.630 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.227 3.109 6.490 1.00 0.30 C ATOM 0 H TRP A 15 -7.018 3.716 4.896 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.096 4.312 7.499 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.233 2.772 8.207 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.294 2.076 6.998 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.299 1.782 4.500 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -3.893 1.670 3.580 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.861 3.684 8.565 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.307 2.303 4.513 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.409 3.894 8.481 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.152 3.213 6.479 1.00 0.30 H new ATOM 323 N LEU A 16 -5.705 6.097 6.449 1.00 0.28 N ATOM 324 CA LEU A 16 -4.875 7.241 6.787 1.00 0.26 C ATOM 325 C LEU A 16 -5.771 8.340 7.339 1.00 0.27 C ATOM 326 O LEU A 16 -6.941 8.458 6.976 1.00 0.31 O ATOM 327 CB LEU A 16 -4.126 7.767 5.554 1.00 0.25 C ATOM 328 CG LEU A 16 -3.124 6.809 4.898 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.642 7.385 3.578 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.931 6.549 5.806 1.00 0.30 C ATOM 0 H LEU A 16 -5.854 5.962 5.449 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.135 6.936 7.527 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.863 8.054 4.804 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.593 8.674 5.840 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.634 5.862 4.721 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.931 6.698 3.119 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.492 7.526 2.911 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.157 8.345 3.755 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.240 5.866 5.312 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.423 7.490 6.018 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.275 6.104 6.740 1.00 0.30 H new ATOM 342 N SER A 17 -5.195 9.125 8.226 1.00 0.27 N ATOM 343 CA SER A 17 -5.914 10.246 8.807 1.00 0.30 C ATOM 344 C SER A 17 -5.772 11.459 7.892 1.00 0.33 C ATOM 345 O SER A 17 -4.871 11.480 7.055 1.00 0.34 O ATOM 346 CB SER A 17 -5.377 10.549 10.206 1.00 0.31 C ATOM 347 OG SER A 17 -6.315 11.287 10.974 1.00 1.24 O ATOM 0 H SER A 17 -4.238 9.011 8.560 1.00 0.27 H new ATOM 0 HA SER A 17 -6.971 9.997 8.902 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.141 9.615 10.717 1.00 0.31 H new ATOM 0 HB3 SER A 17 -4.447 11.112 10.126 1.00 0.31 H new ATOM 0 HG SER A 17 -5.943 11.463 11.863 1.00 1.24 H new ATOM 353 N GLN A 18 -6.649 12.452 8.028 1.00 0.36 N ATOM 354 CA GLN A 18 -6.606 13.624 7.151 1.00 0.41 C ATOM 355 C GLN A 18 -5.220 14.258 7.164 1.00 0.41 C ATOM 356 O GLN A 18 -4.652 14.520 6.109 1.00 0.42 O ATOM 357 CB GLN A 18 -7.665 14.656 7.542 1.00 0.47 C ATOM 358 CG GLN A 18 -9.080 14.279 7.135 1.00 1.19 C ATOM 359 CD GLN A 18 -9.246 14.178 5.631 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.536 15.168 4.959 1.00 1.90 O ATOM 361 NE2 GLN A 18 -9.086 12.980 5.097 1.00 1.91 N ATOM 0 H GLN A 18 -7.391 12.471 8.728 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.826 13.284 6.139 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.635 14.800 8.622 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.410 15.613 7.086 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.343 13.325 7.591 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -9.776 15.021 7.525 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -8.846 12.185 5.690 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -9.203 12.850 4.092 1.00 1.91 H new ATOM 370 N GLU A 19 -4.681 14.479 8.355 1.00 0.41 N ATOM 371 CA GLU A 19 -3.366 15.060 8.498 1.00 0.42 C ATOM 372 C GLU A 19 -2.308 14.220 7.779 1.00 0.40 C ATOM 373 O GLU A 19 -1.360 14.765 7.219 1.00 0.42 O ATOM 374 CB GLU A 19 -3.044 15.198 9.976 1.00 0.41 C ATOM 375 CG GLU A 19 -3.671 16.423 10.623 1.00 1.18 C ATOM 376 CD GLU A 19 -3.094 17.718 10.086 1.00 1.79 C ATOM 377 OE1 GLU A 19 -3.529 18.170 9.003 1.00 2.49 O ATOM 378 OE2 GLU A 19 -2.198 18.288 10.745 1.00 2.01 O ATOM 0 H GLU A 19 -5.143 14.261 9.238 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.358 16.046 8.034 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.387 14.305 10.499 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.962 15.245 10.101 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -4.748 16.410 10.453 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -3.518 16.380 11.701 1.00 1.18 H new ATOM 385 N GLN A 20 -2.478 12.902 7.780 1.00 0.37 N ATOM 386 CA GLN A 20 -1.550 12.015 7.083 1.00 0.36 C ATOM 387 C GLN A 20 -1.774 12.098 5.576 1.00 0.38 C ATOM 388 O GLN A 20 -0.817 12.148 4.807 1.00 0.41 O ATOM 389 CB GLN A 20 -1.720 10.574 7.566 1.00 0.33 C ATOM 390 CG GLN A 20 -1.486 10.402 9.057 1.00 0.37 C ATOM 391 CD GLN A 20 -1.769 8.993 9.532 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.617 8.298 8.974 1.00 1.57 O ATOM 393 NE2 GLN A 20 -1.065 8.565 10.566 1.00 1.04 N ATOM 0 H GLN A 20 -3.246 12.425 8.253 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.532 12.335 7.305 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.727 10.234 7.323 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.027 9.933 7.021 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.453 10.660 9.291 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.120 11.100 9.603 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.372 9.175 10.999 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.215 7.625 10.931 1.00 1.04 H new ATOM 402 N LYS A 21 -3.032 12.101 5.155 1.00 0.38 N ATOM 403 CA LYS A 21 -3.366 12.221 3.740 1.00 0.42 C ATOM 404 C LYS A 21 -2.848 13.541 3.187 1.00 0.42 C ATOM 405 O LYS A 21 -2.192 13.579 2.154 1.00 0.43 O ATOM 406 CB LYS A 21 -4.881 12.130 3.538 1.00 0.47 C ATOM 407 CG LYS A 21 -5.468 10.781 3.919 1.00 0.56 C ATOM 408 CD LYS A 21 -6.979 10.769 3.762 1.00 0.54 C ATOM 409 CE LYS A 21 -7.559 9.394 4.054 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.044 9.408 4.053 1.00 0.95 N ATOM 0 H LYS A 21 -3.839 12.022 5.773 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.891 11.400 3.203 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.365 12.907 4.130 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.112 12.335 2.493 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.030 10.002 3.295 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.206 10.547 4.951 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.422 11.502 4.436 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.243 11.068 2.748 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.202 8.684 3.308 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.200 9.047 5.023 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.396 9.012 4.948 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.382 10.386 3.951 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.396 8.836 3.259 1.00 0.95 H new ATOM 424 N ASP A 22 -3.130 14.610 3.911 1.00 0.44 N ATOM 425 CA ASP A 22 -2.676 15.949 3.550 1.00 0.46 C ATOM 426 C ASP A 22 -1.156 16.048 3.632 1.00 0.46 C ATOM 427 O ASP A 22 -0.550 16.799 2.865 1.00 0.48 O ATOM 428 CB ASP A 22 -3.295 16.967 4.513 1.00 0.49 C ATOM 429 CG ASP A 22 -2.966 18.398 4.142 1.00 0.58 C ATOM 430 OD1 ASP A 22 -1.940 18.922 4.624 1.00 0.64 O ATOM 431 OD2 ASP A 22 -3.743 19.010 3.377 1.00 0.67 O ATOM 0 H ASP A 22 -3.681 14.578 4.769 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.986 16.156 2.526 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.377 16.839 4.524 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.940 16.767 5.524 1.00 0.49 H new ATOM 436 N GLU A 23 -0.537 15.295 4.527 1.00 0.44 N ATOM 437 CA GLU A 23 0.907 15.157 4.533 1.00 0.45 C ATOM 438 C GLU A 23 1.404 14.555 3.222 1.00 0.42 C ATOM 439 O GLU A 23 2.225 15.158 2.532 1.00 0.44 O ATOM 440 CB GLU A 23 1.350 14.293 5.709 1.00 0.47 C ATOM 441 CG GLU A 23 2.439 14.956 6.508 1.00 0.71 C ATOM 442 CD GLU A 23 2.872 14.174 7.727 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.233 14.317 8.790 1.00 1.43 O ATOM 444 OE2 GLU A 23 3.874 13.440 7.645 1.00 1.40 O ATOM 0 H GLU A 23 -1.015 14.770 5.259 1.00 0.44 H new ATOM 0 HA GLU A 23 1.342 16.151 4.639 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.495 14.092 6.355 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.704 13.330 5.340 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.304 15.112 5.864 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.095 15.941 6.824 1.00 0.71 H new ATOM 451 N LEU A 24 0.893 13.387 2.870 1.00 0.40 N ATOM 452 CA LEU A 24 1.307 12.688 1.669 1.00 0.39 C ATOM 453 C LEU A 24 0.920 13.453 0.401 1.00 0.39 C ATOM 454 O LEU A 24 1.673 13.464 -0.575 1.00 0.41 O ATOM 455 CB LEU A 24 0.686 11.296 1.678 1.00 0.38 C ATOM 456 CG LEU A 24 1.477 10.238 2.453 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.852 10.699 3.852 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.693 8.940 2.518 1.00 1.33 C ATOM 0 H LEU A 24 0.179 12.898 3.410 1.00 0.40 H new ATOM 0 HA LEU A 24 2.394 12.609 1.662 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.315 11.364 2.104 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.571 10.959 0.648 1.00 0.38 H new ATOM 0 HG LEU A 24 2.408 10.073 1.911 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.411 9.911 4.357 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.468 11.596 3.787 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.947 10.921 4.417 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.266 8.196 3.071 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.258 9.114 3.022 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.507 8.576 1.507 1.00 1.33 H new ATOM 470 N LEU A 25 -0.249 14.087 0.413 1.00 0.40 N ATOM 471 CA LEU A 25 -0.681 14.922 -0.701 1.00 0.43 C ATOM 472 C LEU A 25 0.278 16.085 -0.889 1.00 0.46 C ATOM 473 O LEU A 25 0.634 16.433 -2.014 1.00 0.48 O ATOM 474 CB LEU A 25 -2.104 15.435 -0.480 1.00 0.45 C ATOM 475 CG LEU A 25 -3.199 14.372 -0.579 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.567 14.987 -0.336 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.153 13.686 -1.934 1.00 1.06 C ATOM 0 H LEU A 25 -0.915 14.038 1.184 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.677 14.313 -1.605 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -2.158 15.899 0.505 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.310 16.216 -1.212 1.00 0.45 H new ATOM 0 HG LEU A 25 -3.021 13.623 0.192 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.332 14.214 -0.411 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.595 15.430 0.659 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.757 15.759 -1.082 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.939 12.933 -1.987 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.304 14.425 -2.721 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.183 13.208 -2.067 1.00 1.06 H new ATOM 489 N LYS A 26 0.706 16.671 0.223 1.00 0.47 N ATOM 490 CA LYS A 26 1.644 17.781 0.191 1.00 0.51 C ATOM 491 C LYS A 26 2.987 17.295 -0.326 1.00 0.49 C ATOM 492 O LYS A 26 3.649 17.976 -1.104 1.00 0.51 O ATOM 493 CB LYS A 26 1.819 18.383 1.584 1.00 0.56 C ATOM 494 CG LYS A 26 2.293 19.827 1.561 1.00 0.93 C ATOM 495 CD LYS A 26 2.888 20.240 2.891 1.00 1.62 C ATOM 496 CE LYS A 26 4.265 19.629 3.091 1.00 2.50 C ATOM 497 NZ LYS A 26 5.262 20.188 2.137 1.00 3.24 N ATOM 0 H LYS A 26 0.416 16.393 1.160 1.00 0.47 H new ATOM 0 HA LYS A 26 1.249 18.551 -0.472 1.00 0.51 H new ATOM 0 HB2 LYS A 26 0.870 18.328 2.118 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.535 17.782 2.144 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.036 19.954 0.774 1.00 0.93 H new ATOM 0 HG3 LYS A 26 1.456 20.481 1.317 1.00 0.93 H new ATOM 0 HD2 LYS A 26 2.959 21.327 2.939 1.00 1.62 H new ATOM 0 HD3 LYS A 26 2.228 19.928 3.700 1.00 1.62 H new ATOM 0 HE2 LYS A 26 4.598 19.811 4.113 1.00 2.50 H new ATOM 0 HE3 LYS A 26 4.205 18.548 2.962 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 6.212 19.850 2.391 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 5.031 19.878 1.172 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 5.240 21.227 2.181 1.00 3.24 H new ATOM 511 N MET A 27 3.376 16.110 0.113 1.00 0.47 N ATOM 512 CA MET A 27 4.596 15.487 -0.368 1.00 0.47 C ATOM 513 C MET A 27 4.579 15.305 -1.880 1.00 0.47 C ATOM 514 O MET A 27 5.474 15.785 -2.578 1.00 0.49 O ATOM 515 CB MET A 27 4.820 14.140 0.322 1.00 0.49 C ATOM 516 CG MET A 27 5.074 14.254 1.814 1.00 0.50 C ATOM 517 SD MET A 27 5.288 12.651 2.606 1.00 0.92 S ATOM 518 CE MET A 27 6.714 12.029 1.722 1.00 0.79 C ATOM 0 H MET A 27 2.864 15.560 0.802 1.00 0.47 H new ATOM 0 HA MET A 27 5.421 16.155 -0.122 1.00 0.47 H new ATOM 0 HB2 MET A 27 3.947 13.508 0.158 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.668 13.639 -0.145 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.965 14.859 1.982 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.240 14.777 2.282 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.408 11.217 1.063 1.00 0.79 H new ATOM 0 HE2 MET A 27 7.153 12.831 1.129 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.451 11.659 2.435 1.00 0.79 H new ATOM 528 N LYS A 28 3.549 14.641 -2.393 1.00 0.45 N ATOM 529 CA LYS A 28 3.412 14.430 -3.829 1.00 0.49 C ATOM 530 C LYS A 28 3.350 15.768 -4.567 1.00 0.54 C ATOM 531 O LYS A 28 3.932 15.927 -5.642 1.00 0.58 O ATOM 532 CB LYS A 28 2.145 13.617 -4.119 1.00 0.50 C ATOM 533 CG LYS A 28 1.996 13.205 -5.578 1.00 0.79 C ATOM 534 CD LYS A 28 3.132 12.295 -6.022 1.00 1.41 C ATOM 535 CE LYS A 28 2.926 11.792 -7.443 1.00 1.82 C ATOM 536 NZ LYS A 28 2.944 12.893 -8.443 1.00 2.44 N ATOM 0 H LYS A 28 2.796 14.239 -1.835 1.00 0.45 H new ATOM 0 HA LYS A 28 4.283 13.878 -4.182 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.150 12.722 -3.498 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.274 14.203 -3.827 1.00 0.50 H new ATOM 0 HG2 LYS A 28 1.044 12.693 -5.717 1.00 0.79 H new ATOM 0 HG3 LYS A 28 1.974 14.095 -6.207 1.00 0.79 H new ATOM 0 HD2 LYS A 28 4.077 12.835 -5.960 1.00 1.41 H new ATOM 0 HD3 LYS A 28 3.205 11.446 -5.342 1.00 1.41 H new ATOM 0 HE2 LYS A 28 3.706 11.071 -7.687 1.00 1.82 H new ATOM 0 HE3 LYS A 28 1.974 11.265 -7.504 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 2.902 12.492 -9.402 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 2.123 13.514 -8.291 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 3.819 13.444 -8.337 1.00 2.44 H new ATOM 550 N LYS A 29 2.654 16.724 -3.965 1.00 0.55 N ATOM 551 CA LYS A 29 2.529 18.067 -4.515 1.00 0.62 C ATOM 552 C LYS A 29 3.890 18.749 -4.640 1.00 0.64 C ATOM 553 O LYS A 29 4.238 19.272 -5.699 1.00 0.72 O ATOM 554 CB LYS A 29 1.610 18.913 -3.634 1.00 0.62 C ATOM 555 CG LYS A 29 1.371 20.316 -4.164 1.00 1.13 C ATOM 556 CD LYS A 29 0.624 21.181 -3.157 1.00 1.57 C ATOM 557 CE LYS A 29 -0.730 20.593 -2.800 1.00 2.08 C ATOM 558 NZ LYS A 29 -1.493 21.471 -1.874 1.00 2.69 N ATOM 0 H LYS A 29 2.161 16.590 -3.082 1.00 0.55 H new ATOM 0 HA LYS A 29 2.099 17.978 -5.513 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.651 18.405 -3.533 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.042 18.981 -2.635 1.00 0.62 H new ATOM 0 HG2 LYS A 29 2.327 20.781 -4.405 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.800 20.262 -5.091 1.00 1.13 H new ATOM 0 HD2 LYS A 29 1.224 21.286 -2.253 1.00 1.57 H new ATOM 0 HD3 LYS A 29 0.488 22.182 -3.568 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -1.309 20.437 -3.710 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.590 19.615 -2.339 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -2.410 21.032 -1.656 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -0.953 21.600 -0.994 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.650 22.396 -2.323 1.00 2.69 H new ATOM 572 N ASP A 30 4.664 18.722 -3.560 1.00 0.62 N ATOM 573 CA ASP A 30 5.926 19.458 -3.506 1.00 0.66 C ATOM 574 C ASP A 30 7.064 18.713 -4.192 1.00 0.65 C ATOM 575 O ASP A 30 8.213 19.150 -4.178 1.00 0.69 O ATOM 576 CB ASP A 30 6.317 19.774 -2.057 1.00 0.67 C ATOM 577 CG ASP A 30 5.464 20.860 -1.436 1.00 1.33 C ATOM 578 OD1 ASP A 30 5.481 22.003 -1.936 1.00 1.32 O ATOM 579 OD2 ASP A 30 4.751 20.571 -0.452 1.00 2.14 O ATOM 0 H ASP A 30 4.442 18.201 -2.712 1.00 0.62 H new ATOM 0 HA ASP A 30 5.762 20.389 -4.048 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.233 18.867 -1.458 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.363 20.080 -2.027 1.00 0.67 H new ATOM 584 N GLY A 31 6.723 17.579 -4.791 1.00 0.62 N ATOM 585 CA GLY A 31 7.660 16.883 -5.644 1.00 0.62 C ATOM 586 C GLY A 31 8.473 15.846 -4.911 1.00 0.61 C ATOM 587 O GLY A 31 9.584 15.517 -5.323 1.00 0.63 O ATOM 0 H GLY A 31 5.812 17.130 -4.699 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.114 16.401 -6.455 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.334 17.608 -6.100 1.00 0.62 H new ATOM 591 N LYS A 32 7.934 15.340 -3.815 1.00 0.59 N ATOM 592 CA LYS A 32 8.536 14.211 -3.137 1.00 0.58 C ATOM 593 C LYS A 32 8.396 12.980 -4.019 1.00 0.56 C ATOM 594 O LYS A 32 7.371 12.786 -4.677 1.00 0.55 O ATOM 595 CB LYS A 32 7.871 13.982 -1.780 1.00 0.57 C ATOM 596 CG LYS A 32 8.097 15.120 -0.795 1.00 0.63 C ATOM 597 CD LYS A 32 9.506 15.109 -0.228 1.00 0.76 C ATOM 598 CE LYS A 32 9.684 14.000 0.797 1.00 1.15 C ATOM 599 NZ LYS A 32 11.075 13.932 1.311 1.00 1.65 N ATOM 0 H LYS A 32 7.083 15.694 -3.379 1.00 0.59 H new ATOM 0 HA LYS A 32 9.592 14.412 -2.957 1.00 0.58 H new ATOM 0 HB2 LYS A 32 6.800 13.847 -1.927 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.253 13.057 -1.348 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.914 16.072 -1.293 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.377 15.043 0.020 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.224 14.977 -1.037 1.00 0.76 H new ATOM 0 HD3 LYS A 32 9.721 16.072 0.235 1.00 0.76 H new ATOM 0 HE2 LYS A 32 8.998 14.162 1.629 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.418 13.044 0.346 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 11.131 13.220 2.067 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 11.718 13.668 0.538 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 11.351 14.861 1.689 1.00 1.65 H new ATOM 613 N ALA A 33 9.422 12.161 -4.028 1.00 0.56 N ATOM 614 CA ALA A 33 9.464 10.974 -4.874 1.00 0.55 C ATOM 615 C ALA A 33 8.551 9.893 -4.324 1.00 0.52 C ATOM 616 O ALA A 33 8.351 9.830 -3.115 1.00 0.50 O ATOM 617 CB ALA A 33 10.885 10.447 -4.971 1.00 0.59 C ATOM 0 H ALA A 33 10.254 12.292 -3.453 1.00 0.56 H new ATOM 0 HA ALA A 33 9.118 11.252 -5.870 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.902 9.561 -5.605 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.529 11.214 -5.402 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.246 10.188 -3.976 1.00 0.59 H new ATOM 623 N LYS A 34 8.011 9.036 -5.186 1.00 0.53 N ATOM 624 CA LYS A 34 7.118 7.967 -4.733 1.00 0.51 C ATOM 625 C LYS A 34 7.763 7.137 -3.627 1.00 0.51 C ATOM 626 O LYS A 34 7.089 6.717 -2.692 1.00 0.48 O ATOM 627 CB LYS A 34 6.699 7.054 -5.888 1.00 0.56 C ATOM 628 CG LYS A 34 5.705 7.704 -6.838 1.00 1.21 C ATOM 629 CD LYS A 34 4.753 6.681 -7.443 1.00 1.64 C ATOM 630 CE LYS A 34 5.462 5.724 -8.388 1.00 2.21 C ATOM 631 NZ LYS A 34 4.568 4.620 -8.824 1.00 2.97 N ATOM 0 H LYS A 34 8.172 9.057 -6.193 1.00 0.53 H new ATOM 0 HA LYS A 34 6.226 8.450 -4.334 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.586 6.758 -6.448 1.00 0.56 H new ATOM 0 HB3 LYS A 34 6.260 6.143 -5.481 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.133 8.462 -6.303 1.00 1.21 H new ATOM 0 HG3 LYS A 34 6.244 8.215 -7.635 1.00 1.21 H new ATOM 0 HD2 LYS A 34 4.277 6.113 -6.644 1.00 1.64 H new ATOM 0 HD3 LYS A 34 3.960 7.200 -7.982 1.00 1.64 H new ATOM 0 HE2 LYS A 34 5.817 6.271 -9.261 1.00 2.21 H new ATOM 0 HE3 LYS A 34 6.340 5.308 -7.894 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 5.031 4.077 -9.580 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 4.372 3.993 -8.018 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 3.675 5.017 -9.180 1.00 2.97 H new ATOM 645 N LYS A 35 9.072 6.926 -3.724 1.00 0.54 N ATOM 646 CA LYS A 35 9.806 6.170 -2.709 1.00 0.56 C ATOM 647 C LYS A 35 9.744 6.852 -1.335 1.00 0.53 C ATOM 648 O LYS A 35 9.991 6.214 -0.311 1.00 0.55 O ATOM 649 CB LYS A 35 11.269 5.970 -3.124 1.00 0.61 C ATOM 650 CG LYS A 35 11.496 4.765 -4.031 1.00 1.17 C ATOM 651 CD LYS A 35 10.963 4.980 -5.440 1.00 1.56 C ATOM 652 CE LYS A 35 11.846 5.930 -6.235 1.00 2.18 C ATOM 653 NZ LYS A 35 11.386 6.075 -7.642 1.00 2.82 N ATOM 0 H LYS A 35 9.648 7.267 -4.494 1.00 0.54 H new ATOM 0 HA LYS A 35 9.323 5.196 -2.628 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.617 6.868 -3.635 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.878 5.857 -2.227 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.563 4.549 -4.080 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.013 3.891 -3.594 1.00 1.17 H new ATOM 0 HD2 LYS A 35 10.901 4.022 -5.956 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.950 5.380 -5.389 1.00 1.56 H new ATOM 0 HE2 LYS A 35 11.852 6.908 -5.753 1.00 2.18 H new ATOM 0 HE3 LYS A 35 12.873 5.564 -6.225 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 12.016 6.731 -8.147 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 11.405 5.147 -8.111 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 10.416 6.449 -7.653 1.00 2.82 H new ATOM 667 N GLU A 36 9.410 8.139 -1.310 1.00 0.51 N ATOM 668 CA GLU A 36 9.322 8.882 -0.062 1.00 0.50 C ATOM 669 C GLU A 36 7.903 8.801 0.516 1.00 0.44 C ATOM 670 O GLU A 36 7.671 8.919 1.719 1.00 0.45 O ATOM 671 CB GLU A 36 9.741 10.335 -0.288 1.00 0.53 C ATOM 672 CG GLU A 36 11.073 10.450 -1.013 1.00 0.61 C ATOM 673 CD GLU A 36 11.584 11.874 -1.110 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.125 12.617 -1.998 1.00 0.66 O ATOM 675 OE2 GLU A 36 12.447 12.264 -0.295 1.00 0.85 O ATOM 0 H GLU A 36 9.196 8.688 -2.143 1.00 0.51 H new ATOM 0 HA GLU A 36 10.003 8.436 0.663 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.971 10.846 -0.866 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.809 10.844 0.673 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.814 9.840 -0.496 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.968 10.040 -2.018 1.00 0.61 H new ATOM 682 N LEU A 37 6.975 8.557 -0.410 1.00 0.39 N ATOM 683 CA LEU A 37 5.604 8.246 -0.049 1.00 0.36 C ATOM 684 C LEU A 37 5.497 6.801 0.423 1.00 0.36 C ATOM 685 O LEU A 37 4.801 6.496 1.394 1.00 0.35 O ATOM 686 CB LEU A 37 4.694 8.476 -1.252 1.00 0.37 C ATOM 687 CG LEU A 37 4.461 9.937 -1.646 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.757 10.684 -0.531 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.745 10.656 -2.018 1.00 1.01 C ATOM 0 H LEU A 37 7.154 8.570 -1.414 1.00 0.39 H new ATOM 0 HA LEU A 37 5.293 8.899 0.766 1.00 0.36 H new ATOM 0 HB2 LEU A 37 5.118 7.952 -2.109 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.727 8.017 -1.044 1.00 0.37 H new ATOM 0 HG LEU A 37 3.828 9.922 -2.533 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.600 11.720 -0.830 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.794 10.215 -0.330 1.00 1.22 H new ATOM 0 HD13 LEU A 37 4.370 10.655 0.370 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.519 11.687 -2.288 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.428 10.645 -1.168 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.212 10.153 -2.865 1.00 1.01 H new ATOM 701 N GLU A 38 6.219 5.934 -0.278 1.00 0.39 N ATOM 702 CA GLU A 38 6.371 4.526 0.082 1.00 0.43 C ATOM 703 C GLU A 38 6.838 4.388 1.527 1.00 0.43 C ATOM 704 O GLU A 38 6.529 3.421 2.213 1.00 0.45 O ATOM 705 CB GLU A 38 7.407 3.898 -0.857 1.00 0.57 C ATOM 706 CG GLU A 38 8.026 2.607 -0.345 1.00 1.35 C ATOM 707 CD GLU A 38 7.228 1.378 -0.704 1.00 2.06 C ATOM 708 OE1 GLU A 38 6.025 1.328 -0.390 1.00 2.49 O ATOM 709 OE2 GLU A 38 7.826 0.447 -1.283 1.00 2.72 O ATOM 0 H GLU A 38 6.724 6.192 -1.126 1.00 0.39 H new ATOM 0 HA GLU A 38 5.411 4.019 -0.015 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.934 3.702 -1.819 1.00 0.57 H new ATOM 0 HB3 GLU A 38 8.203 4.621 -1.034 1.00 0.57 H new ATOM 0 HG2 GLU A 38 9.033 2.509 -0.751 1.00 1.35 H new ATOM 0 HG3 GLU A 38 8.124 2.664 0.739 1.00 1.35 H new ATOM 716 N ALA A 39 7.538 5.399 1.990 1.00 0.43 N ATOM 717 CA ALA A 39 8.163 5.367 3.292 1.00 0.45 C ATOM 718 C ALA A 39 7.283 5.890 4.412 1.00 0.42 C ATOM 719 O ALA A 39 7.322 5.371 5.523 1.00 0.44 O ATOM 720 CB ALA A 39 9.470 6.142 3.256 1.00 0.49 C ATOM 0 H ALA A 39 7.690 6.266 1.475 1.00 0.43 H new ATOM 0 HA ALA A 39 8.346 4.316 3.516 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.937 6.114 4.241 1.00 0.49 H new ATOM 0 HB2 ALA A 39 10.140 5.691 2.524 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.272 7.177 2.977 1.00 0.49 H new ATOM 726 N LYS A 40 6.488 6.919 4.122 1.00 0.39 N ATOM 727 CA LYS A 40 5.494 7.387 5.058 1.00 0.37 C ATOM 728 C LYS A 40 4.462 6.303 5.319 1.00 0.31 C ATOM 729 O LYS A 40 4.236 5.926 6.462 1.00 0.31 O ATOM 730 CB LYS A 40 4.805 8.634 4.519 1.00 0.41 C ATOM 731 CG LYS A 40 5.676 9.876 4.530 1.00 0.79 C ATOM 732 CD LYS A 40 6.111 10.240 5.939 1.00 0.64 C ATOM 733 CE LYS A 40 6.869 11.556 5.966 1.00 0.74 C ATOM 734 NZ LYS A 40 7.353 11.883 7.332 1.00 1.34 N ATOM 0 H LYS A 40 6.521 7.437 3.244 1.00 0.39 H new ATOM 0 HA LYS A 40 5.994 7.634 5.995 1.00 0.37 H new ATOM 0 HB2 LYS A 40 4.477 8.442 3.497 1.00 0.41 H new ATOM 0 HB3 LYS A 40 3.910 8.826 5.110 1.00 0.41 H new ATOM 0 HG2 LYS A 40 6.556 9.710 3.908 1.00 0.79 H new ATOM 0 HG3 LYS A 40 5.128 10.710 4.091 1.00 0.79 H new ATOM 0 HD2 LYS A 40 5.235 10.310 6.584 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.742 9.448 6.342 1.00 0.64 H new ATOM 0 HE2 LYS A 40 7.717 11.502 5.283 1.00 0.74 H new ATOM 0 HE3 LYS A 40 6.222 12.356 5.608 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.866 12.788 7.311 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 6.542 11.959 7.979 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.991 11.131 7.664 1.00 1.34 H new ATOM 748 N ILE A 41 3.856 5.790 4.250 1.00 0.29 N ATOM 749 CA ILE A 41 2.794 4.808 4.366 1.00 0.26 C ATOM 750 C ILE A 41 3.279 3.556 5.073 1.00 0.27 C ATOM 751 O ILE A 41 2.623 3.059 5.981 1.00 0.27 O ATOM 752 CB ILE A 41 2.241 4.444 2.982 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.691 5.700 2.313 1.00 0.33 C ATOM 754 CG2 ILE A 41 1.168 3.374 3.096 1.00 0.33 C ATOM 755 CD1 ILE A 41 1.240 5.483 0.893 1.00 0.39 C ATOM 0 H ILE A 41 4.089 6.044 3.290 1.00 0.29 H new ATOM 0 HA ILE A 41 1.997 5.253 4.961 1.00 0.26 H new ATOM 0 HB ILE A 41 3.045 4.038 2.369 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.851 6.074 2.898 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.459 6.474 2.327 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.790 3.131 2.103 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.593 2.480 3.551 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.351 3.743 3.715 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.862 6.420 0.484 1.00 0.39 H new ATOM 0 HD12 ILE A 41 2.082 5.139 0.292 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.449 4.733 0.873 1.00 0.39 H new ATOM 767 N LEU A 42 4.436 3.067 4.666 1.00 0.31 N ATOM 768 CA LEU A 42 5.024 1.893 5.283 1.00 0.35 C ATOM 769 C LEU A 42 5.403 2.154 6.739 1.00 0.35 C ATOM 770 O LEU A 42 5.339 1.254 7.579 1.00 0.38 O ATOM 771 CB LEU A 42 6.251 1.443 4.491 1.00 0.39 C ATOM 772 CG LEU A 42 5.954 0.634 3.223 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.233 0.053 2.652 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.941 -0.466 3.501 1.00 0.40 C ATOM 0 H LEU A 42 4.989 3.467 3.908 1.00 0.31 H new ATOM 0 HA LEU A 42 4.277 1.100 5.271 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.826 2.326 4.212 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.884 0.843 5.144 1.00 0.39 H new ATOM 0 HG LEU A 42 5.521 1.309 2.485 1.00 0.40 H new ATOM 0 HD11 LEU A 42 7.003 -0.518 1.752 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.920 0.861 2.403 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.696 -0.603 3.390 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.749 -1.024 2.584 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.336 -1.141 4.261 1.00 0.40 H new ATOM 0 HD23 LEU A 42 4.011 -0.023 3.857 1.00 0.40 H new ATOM 786 N HIS A 43 5.797 3.386 7.031 1.00 0.35 N ATOM 787 CA HIS A 43 6.030 3.802 8.409 1.00 0.37 C ATOM 788 C HIS A 43 4.715 3.792 9.194 1.00 0.35 C ATOM 789 O HIS A 43 4.641 3.208 10.272 1.00 0.40 O ATOM 790 CB HIS A 43 6.661 5.196 8.460 1.00 0.40 C ATOM 791 CG HIS A 43 7.189 5.577 9.812 1.00 0.49 C ATOM 792 ND1 HIS A 43 8.518 5.457 10.157 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.565 6.078 10.907 1.00 1.23 C ATOM 794 CE1 HIS A 43 8.687 5.863 11.399 1.00 0.93 C ATOM 795 NE2 HIS A 43 7.519 6.246 11.877 1.00 0.92 N ATOM 0 H HIS A 43 5.962 4.113 6.335 1.00 0.35 H new ATOM 0 HA HIS A 43 6.723 3.095 8.865 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.475 5.242 7.737 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.918 5.931 8.151 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.513 6.303 10.998 1.00 1.23 H new ATOM 0 HE1 HIS A 43 9.624 5.879 11.935 1.00 0.93 H new ATOM 0 HE2 HIS A 43 7.353 6.608 12.816 1.00 0.92 H new ATOM 804 N TYR A 44 3.679 4.436 8.638 1.00 0.30 N ATOM 805 CA TYR A 44 2.361 4.486 9.275 1.00 0.30 C ATOM 806 C TYR A 44 1.838 3.077 9.502 1.00 0.32 C ATOM 807 O TYR A 44 1.329 2.744 10.572 1.00 0.40 O ATOM 808 CB TYR A 44 1.352 5.247 8.403 1.00 0.31 C ATOM 809 CG TYR A 44 1.758 6.662 8.099 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.362 7.460 9.063 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.529 7.202 6.848 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.722 8.763 8.782 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.882 8.495 6.558 1.00 0.50 C ATOM 814 CZ TYR A 44 2.536 9.263 7.546 1.00 0.58 C ATOM 815 OH TYR A 44 2.832 10.572 7.240 1.00 0.68 O ATOM 0 H TYR A 44 3.731 4.929 7.747 1.00 0.30 H new ATOM 0 HA TYR A 44 2.474 5.005 10.227 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.218 4.708 7.465 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.385 5.257 8.907 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.553 7.055 10.046 1.00 0.42 H new ATOM 0 HD2 TYR A 44 1.064 6.595 6.085 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.153 9.382 9.555 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.663 8.919 5.589 1.00 0.50 H new ATOM 0 HH TYR A 44 3.096 10.636 6.298 1.00 0.68 H new ATOM 825 N TYR A 45 1.991 2.265 8.467 1.00 0.30 N ATOM 826 CA TYR A 45 1.547 0.887 8.448 1.00 0.33 C ATOM 827 C TYR A 45 2.173 0.076 9.575 1.00 0.40 C ATOM 828 O TYR A 45 1.495 -0.696 10.250 1.00 0.42 O ATOM 829 CB TYR A 45 1.913 0.287 7.087 1.00 0.35 C ATOM 830 CG TYR A 45 1.583 -1.164 6.933 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.267 -1.588 6.997 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.574 -2.106 6.732 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.057 -2.915 6.864 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.263 -3.440 6.595 1.00 0.54 C ATOM 835 CZ TYR A 45 1.002 -3.854 6.631 1.00 0.53 C ATOM 836 OH TYR A 45 0.620 -5.173 6.523 1.00 0.58 O ATOM 0 H TYR A 45 2.439 2.557 7.598 1.00 0.30 H new ATOM 0 HA TYR A 45 0.468 0.856 8.601 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.397 0.847 6.308 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.982 0.422 6.922 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.518 -0.863 7.154 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.606 -1.791 6.682 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.083 -3.244 6.933 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.056 -4.160 6.456 1.00 0.54 H new ATOM 0 HH TYR A 45 1.410 -5.731 6.365 1.00 0.58 H new ATOM 846 N ASP A 46 3.466 0.263 9.791 1.00 0.43 N ATOM 847 CA ASP A 46 4.186 -0.533 10.775 1.00 0.51 C ATOM 848 C ASP A 46 3.889 -0.057 12.197 1.00 0.53 C ATOM 849 O ASP A 46 4.101 -0.794 13.159 1.00 0.60 O ATOM 850 CB ASP A 46 5.691 -0.508 10.493 1.00 0.58 C ATOM 851 CG ASP A 46 6.479 -1.482 11.348 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.541 -2.679 11.005 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.029 -1.052 12.384 1.00 1.14 O ATOM 0 H ASP A 46 4.036 0.954 9.302 1.00 0.43 H new ATOM 0 HA ASP A 46 3.840 -1.563 10.692 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.860 -0.740 9.441 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.068 0.501 10.662 1.00 0.58 H new ATOM 858 N GLU A 47 3.364 1.155 12.333 1.00 0.49 N ATOM 859 CA GLU A 47 2.972 1.674 13.638 1.00 0.51 C ATOM 860 C GLU A 47 1.560 1.209 13.989 1.00 0.49 C ATOM 861 O GLU A 47 1.076 1.437 15.096 1.00 0.58 O ATOM 862 CB GLU A 47 3.015 3.201 13.638 1.00 0.53 C ATOM 863 CG GLU A 47 4.381 3.788 13.322 1.00 1.21 C ATOM 864 CD GLU A 47 5.440 3.393 14.327 1.00 1.73 C ATOM 865 OE1 GLU A 47 5.409 3.903 15.465 1.00 2.21 O ATOM 866 OE2 GLU A 47 6.311 2.573 13.985 1.00 2.22 O ATOM 0 H GLU A 47 3.200 1.796 11.557 1.00 0.49 H new ATOM 0 HA GLU A 47 3.673 1.295 14.381 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.295 3.573 12.909 1.00 0.53 H new ATOM 0 HB3 GLU A 47 2.695 3.562 14.615 1.00 0.53 H new ATOM 0 HG2 GLU A 47 4.690 3.461 12.329 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.305 4.875 13.291 1.00 1.21 H new ATOM 873 N LEU A 48 0.901 0.555 13.039 1.00 0.44 N ATOM 874 CA LEU A 48 -0.449 0.090 13.228 1.00 0.46 C ATOM 875 C LEU A 48 -0.482 -1.206 13.996 1.00 0.69 C ATOM 876 O LEU A 48 0.450 -2.011 13.964 1.00 1.11 O ATOM 877 CB LEU A 48 -1.145 -0.115 11.897 1.00 0.37 C ATOM 878 CG LEU A 48 -1.523 1.146 11.144 1.00 0.36 C ATOM 879 CD1 LEU A 48 -2.149 0.761 9.834 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.495 1.984 11.948 1.00 0.47 C ATOM 0 H LEU A 48 1.294 0.338 12.123 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.970 0.858 13.799 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.496 -0.715 11.259 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.050 -0.697 12.069 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.625 1.739 10.972 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.425 1.661 9.284 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.437 0.181 9.247 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -3.040 0.161 10.019 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.751 2.883 11.387 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.399 1.407 12.141 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -2.035 2.266 12.895 1.00 0.47 H new ATOM 892 N GLU A 49 -1.575 -1.379 14.676 1.00 0.61 N ATOM 893 CA GLU A 49 -1.812 -2.553 15.500 1.00 0.86 C ATOM 894 C GLU A 49 -3.275 -2.973 15.458 1.00 0.61 C ATOM 895 O GLU A 49 -4.115 -2.259 14.905 1.00 1.16 O ATOM 896 CB GLU A 49 -1.415 -2.236 16.933 1.00 1.42 C ATOM 897 CG GLU A 49 -2.085 -0.979 17.453 1.00 1.33 C ATOM 898 CD GLU A 49 -1.699 -0.657 18.877 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.380 -1.141 19.805 1.00 2.19 O ATOM 900 OE2 GLU A 49 -0.717 0.086 19.077 1.00 2.83 O ATOM 0 H GLU A 49 -2.344 -0.708 14.682 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.214 -3.378 15.112 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -1.678 -3.077 17.575 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -0.333 -2.118 16.990 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -1.820 -0.139 16.811 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -3.167 -1.098 17.392 1.00 1.33 H new ATOM 907 N GLY A 50 -3.557 -4.139 16.036 1.00 0.74 N ATOM 908 CA GLY A 50 -4.922 -4.604 16.197 1.00 0.61 C ATOM 909 C GLY A 50 -5.689 -4.706 14.897 1.00 0.54 C ATOM 910 O GLY A 50 -5.130 -5.054 13.852 1.00 0.54 O ATOM 0 H GLY A 50 -2.850 -4.778 16.400 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.909 -5.582 16.678 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.450 -3.926 16.868 1.00 0.61 H new ATOM 914 N ASP A 51 -6.977 -4.398 14.970 1.00 0.54 N ATOM 915 CA ASP A 51 -7.854 -4.431 13.810 1.00 0.52 C ATOM 916 C ASP A 51 -7.445 -3.367 12.805 1.00 0.46 C ATOM 917 O ASP A 51 -7.627 -3.555 11.606 1.00 0.46 O ATOM 918 CB ASP A 51 -9.310 -4.222 14.235 1.00 0.58 C ATOM 919 CG ASP A 51 -10.249 -4.060 13.057 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.605 -5.081 12.432 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.648 -2.911 12.761 1.00 2.37 O ATOM 0 H ASP A 51 -7.442 -4.119 15.834 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.764 -5.410 13.339 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.633 -5.071 14.837 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.375 -3.338 14.870 1.00 0.58 H new ATOM 926 N ALA A 52 -6.883 -2.260 13.282 1.00 0.43 N ATOM 927 CA ALA A 52 -6.464 -1.193 12.383 1.00 0.41 C ATOM 928 C ALA A 52 -5.439 -1.732 11.407 1.00 0.40 C ATOM 929 O ALA A 52 -5.524 -1.505 10.202 1.00 0.40 O ATOM 930 CB ALA A 52 -5.917 -0.007 13.143 1.00 0.42 C ATOM 0 H ALA A 52 -6.710 -2.081 14.271 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.336 -0.841 11.831 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.615 0.768 12.439 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.687 0.386 13.807 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -5.054 -0.319 13.732 1.00 0.42 H new ATOM 936 N LYS A 53 -4.455 -2.436 11.961 1.00 0.40 N ATOM 937 CA LYS A 53 -3.424 -3.084 11.172 1.00 0.41 C ATOM 938 C LYS A 53 -4.062 -4.029 10.172 1.00 0.41 C ATOM 939 O LYS A 53 -3.843 -3.907 8.973 1.00 0.40 O ATOM 940 CB LYS A 53 -2.476 -3.866 12.079 1.00 0.47 C ATOM 941 CG LYS A 53 -1.280 -4.455 11.350 1.00 0.52 C ATOM 942 CD LYS A 53 -0.325 -3.373 10.874 1.00 0.94 C ATOM 943 CE LYS A 53 0.929 -3.961 10.247 1.00 0.83 C ATOM 944 NZ LYS A 53 1.622 -4.907 11.162 1.00 1.62 N ATOM 0 H LYS A 53 -4.355 -2.570 12.967 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.857 -2.319 10.641 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.119 -3.207 12.871 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -3.030 -4.672 12.560 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.752 -5.141 12.012 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -1.625 -5.038 10.496 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.830 -2.737 10.147 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.047 -2.738 11.715 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.664 -4.478 9.325 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.611 -3.155 9.976 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.596 -5.060 10.830 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 1.642 -4.509 12.123 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.113 -5.814 11.174 1.00 1.62 H new ATOM 958 N LYS A 54 -4.853 -4.962 10.694 1.00 0.44 N ATOM 959 CA LYS A 54 -5.545 -5.945 9.868 1.00 0.47 C ATOM 960 C LYS A 54 -6.294 -5.274 8.723 1.00 0.44 C ATOM 961 O LYS A 54 -6.169 -5.675 7.566 1.00 0.46 O ATOM 962 CB LYS A 54 -6.533 -6.748 10.707 1.00 0.52 C ATOM 963 CG LYS A 54 -5.893 -7.509 11.849 1.00 0.99 C ATOM 964 CD LYS A 54 -6.875 -8.479 12.472 1.00 0.97 C ATOM 965 CE LYS A 54 -6.237 -9.289 13.588 1.00 1.74 C ATOM 966 NZ LYS A 54 -5.107 -10.122 13.099 1.00 2.49 N ATOM 0 H LYS A 54 -5.031 -5.057 11.694 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.790 -6.612 9.453 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -7.285 -6.071 11.111 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -7.054 -7.454 10.060 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -5.021 -8.052 11.485 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -5.539 -6.808 12.605 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.730 -7.929 12.865 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -7.256 -9.154 11.705 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -5.879 -8.615 14.366 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -6.990 -9.932 14.045 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -4.845 -10.815 13.829 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -5.394 -10.623 12.234 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -4.291 -9.512 12.891 1.00 2.49 H new ATOM 980 N GLU A 55 -7.056 -4.239 9.053 1.00 0.42 N ATOM 981 CA GLU A 55 -7.809 -3.495 8.069 1.00 0.41 C ATOM 982 C GLU A 55 -6.886 -2.805 7.088 1.00 0.39 C ATOM 983 O GLU A 55 -7.068 -2.942 5.878 1.00 0.41 O ATOM 984 CB GLU A 55 -8.703 -2.477 8.769 1.00 0.42 C ATOM 985 CG GLU A 55 -10.048 -3.037 9.163 1.00 0.89 C ATOM 986 CD GLU A 55 -10.943 -3.266 7.961 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.277 -2.286 7.267 1.00 1.34 O ATOM 988 OE2 GLU A 55 -11.336 -4.428 7.710 1.00 2.27 O ATOM 0 H GLU A 55 -7.165 -3.898 10.008 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.432 -4.191 7.507 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.195 -2.109 9.660 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.852 -1.621 8.111 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.907 -3.978 9.694 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.538 -2.351 9.854 1.00 0.89 H new ATOM 995 N ALA A 56 -5.898 -2.080 7.584 1.00 0.36 N ATOM 996 CA ALA A 56 -5.010 -1.357 6.699 1.00 0.34 C ATOM 997 C ALA A 56 -4.315 -2.329 5.763 1.00 0.36 C ATOM 998 O ALA A 56 -4.351 -2.154 4.552 1.00 0.37 O ATOM 999 CB ALA A 56 -4.004 -0.528 7.479 1.00 0.31 C ATOM 0 H ALA A 56 -5.695 -1.979 8.578 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.603 -0.662 6.104 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.353 0.002 6.784 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.532 0.193 8.103 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.404 -1.183 8.110 1.00 0.31 H new ATOM 1005 N THR A 57 -3.700 -3.353 6.337 1.00 0.38 N ATOM 1006 CA THR A 57 -3.042 -4.394 5.565 1.00 0.41 C ATOM 1007 C THR A 57 -3.907 -4.909 4.415 1.00 0.44 C ATOM 1008 O THR A 57 -3.459 -5.028 3.277 1.00 0.45 O ATOM 1009 CB THR A 57 -2.668 -5.596 6.456 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.777 -5.187 7.496 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.022 -6.695 5.630 1.00 0.51 C ATOM 0 H THR A 57 -3.644 -3.484 7.347 1.00 0.38 H new ATOM 0 HA THR A 57 -2.145 -3.932 5.153 1.00 0.41 H new ATOM 0 HB THR A 57 -3.583 -5.984 6.903 1.00 0.45 H new ATOM 0 HG1 THR A 57 -0.951 -4.838 7.101 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.766 -7.534 6.277 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.719 -7.030 4.861 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.117 -6.311 5.158 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.176 -5.173 4.741 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.140 -5.652 3.756 1.00 0.49 C ATOM 1021 C GLU A 58 -6.466 -4.576 2.718 1.00 0.48 C ATOM 1022 O GLU A 58 -6.821 -4.896 1.583 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.422 -6.134 4.434 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.232 -7.399 5.252 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.537 -8.101 5.564 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.306 -7.582 6.399 1.00 1.71 O ATOM 1027 OE2 GLU A 58 -8.809 -9.171 4.977 1.00 1.37 O ATOM 0 H GLU A 58 -5.556 -5.062 5.681 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.680 -6.494 3.238 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.800 -5.344 5.083 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.182 -6.313 3.673 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -6.579 -8.082 4.709 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.727 -7.150 6.185 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.331 -3.311 3.092 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.599 -2.225 2.161 1.00 0.43 C ATOM 1036 C HIS A 59 -5.409 -2.037 1.236 1.00 0.42 C ATOM 1037 O HIS A 59 -5.575 -1.824 0.035 1.00 0.44 O ATOM 1038 CB HIS A 59 -6.923 -0.916 2.888 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.262 -0.912 3.560 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.440 -1.173 2.897 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.602 -0.692 4.850 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.446 -1.118 3.749 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.965 -0.828 4.944 1.00 0.57 N ATOM 0 H HIS A 59 -6.041 -3.014 4.024 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.477 -2.494 1.574 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.152 -0.726 3.634 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -6.884 -0.095 2.172 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -7.926 -0.453 5.658 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.486 -1.282 3.510 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.515 -0.722 5.796 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.206 -2.099 1.798 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.003 -2.163 1.005 1.00 0.40 C ATOM 1054 C LEU A 60 -3.018 -3.388 0.102 1.00 0.43 C ATOM 1055 O LEU A 60 -2.563 -3.321 -1.038 1.00 0.43 O ATOM 1056 CB LEU A 60 -1.765 -2.175 1.894 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.390 -0.812 2.456 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.423 -0.314 3.428 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.007 -0.837 3.088 1.00 0.59 C ATOM 0 H LEU A 60 -4.048 -2.106 2.806 1.00 0.40 H new ATOM 0 HA LEU A 60 -2.966 -1.272 0.379 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -1.932 -2.864 2.722 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -0.923 -2.564 1.321 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.361 -0.112 1.621 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.123 0.662 3.810 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.385 -0.226 2.923 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.511 -1.016 4.257 1.00 0.62 H new ATOM 0 HD21 LEU A 60 0.232 0.152 3.480 1.00 0.59 H new ATOM 0 HD22 LEU A 60 0.009 -1.563 3.901 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.731 -1.117 2.337 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.533 -4.510 0.616 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.708 -5.707 -0.197 1.00 0.50 C ATOM 1073 C LYS A 61 -4.543 -5.388 -1.420 1.00 0.53 C ATOM 1074 O LYS A 61 -4.062 -5.513 -2.534 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.370 -6.841 0.592 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.435 -7.559 1.551 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.145 -8.693 2.274 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.209 -9.430 3.218 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.910 -10.494 3.981 1.00 0.67 N ATOM 0 H LYS A 61 -3.833 -4.609 1.586 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.717 -6.042 -0.502 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.209 -6.435 1.156 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.780 -7.567 -0.111 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.581 -7.954 1.001 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.044 -6.849 2.280 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.989 -8.294 2.836 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.551 -9.393 1.544 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.393 -9.872 2.647 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.763 -8.719 3.914 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.235 -10.971 4.612 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.673 -10.070 4.547 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.314 -11.187 3.319 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.792 -4.978 -1.202 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.657 -4.581 -2.302 1.00 0.56 C ATOM 1095 C GLY A 62 -5.997 -3.560 -3.210 1.00 0.55 C ATOM 1096 O GLY A 62 -6.113 -3.646 -4.430 1.00 0.59 O ATOM 0 H GLY A 62 -6.221 -4.914 -0.279 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -6.928 -5.461 -2.885 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.582 -4.165 -1.903 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.306 -2.598 -2.610 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.546 -1.622 -3.369 1.00 0.49 C ATOM 1102 C GLY A 63 -3.535 -2.257 -4.300 1.00 0.49 C ATOM 1103 O GLY A 63 -3.545 -2.006 -5.505 1.00 0.50 O ATOM 0 H GLY A 63 -5.259 -2.476 -1.598 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.233 -1.007 -3.951 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.029 -0.956 -2.679 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.669 -3.084 -3.745 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.643 -3.751 -4.528 1.00 0.55 C ATOM 1109 C CYS A 64 -2.262 -4.802 -5.443 1.00 0.56 C ATOM 1110 O CYS A 64 -1.733 -5.097 -6.504 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.604 -4.391 -3.608 1.00 0.68 C ATOM 1112 SG CYS A 64 0.673 -5.339 -4.491 1.00 1.13 S ATOM 0 H CYS A 64 -2.655 -3.311 -2.751 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.146 -3.006 -5.149 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.122 -3.610 -3.020 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.112 -5.051 -2.905 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.391 -5.355 -5.028 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.109 -6.334 -5.830 1.00 0.67 C ATOM 1119 C ARG A 65 -4.769 -5.659 -7.023 1.00 0.65 C ATOM 1120 O ARG A 65 -4.986 -6.282 -8.060 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.150 -7.052 -4.969 1.00 0.76 C ATOM 1122 CG ARG A 65 -5.966 -8.094 -5.714 1.00 0.86 C ATOM 1123 CD ARG A 65 -6.861 -8.870 -4.766 1.00 1.49 C ATOM 1124 NE ARG A 65 -7.687 -7.986 -3.940 1.00 2.07 N ATOM 1125 CZ ARG A 65 -7.951 -8.204 -2.650 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -7.490 -9.295 -2.047 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -8.688 -7.336 -1.971 1.00 3.80 N ATOM 0 H ARG A 65 -3.833 -5.141 -4.134 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.401 -7.072 -6.206 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -4.643 -7.534 -4.133 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -5.828 -6.311 -4.546 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.574 -7.607 -6.476 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -5.297 -8.782 -6.232 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -7.505 -9.536 -5.340 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -6.247 -9.499 -4.121 1.00 1.49 H new ATOM 0 HE ARG A 65 -8.084 -7.154 -4.377 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -6.932 -9.970 -2.570 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -7.694 -9.458 -1.061 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.052 -6.504 -2.435 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -8.891 -7.501 -0.985 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.084 -4.382 -6.872 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.606 -3.587 -7.970 1.00 0.55 C ATOM 1143 C GLU A 66 -4.468 -3.253 -8.925 1.00 0.48 C ATOM 1144 O GLU A 66 -4.654 -3.171 -10.139 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.256 -2.312 -7.433 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.113 -1.587 -8.453 1.00 0.75 C ATOM 1147 CD GLU A 66 -7.786 -0.363 -7.876 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.698 -0.524 -7.032 1.00 2.02 O ATOM 1149 OE2 GLU A 66 -7.404 0.761 -8.246 1.00 1.61 O ATOM 0 H GLU A 66 -4.986 -3.873 -5.994 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.368 -4.153 -8.507 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -6.871 -2.565 -6.569 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -5.475 -1.637 -7.082 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -6.493 -1.292 -9.300 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.872 -2.269 -8.836 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.278 -3.082 -8.362 1.00 0.47 N ATOM 1157 CA ILE A 67 -2.076 -2.890 -9.157 1.00 0.47 C ATOM 1158 C ILE A 67 -1.689 -4.190 -9.845 1.00 0.45 C ATOM 1159 O ILE A 67 -1.347 -4.193 -11.022 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.901 -2.382 -8.298 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.202 -0.963 -7.813 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.409 -2.422 -9.083 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.150 -0.395 -6.891 1.00 0.81 C ATOM 0 H ILE A 67 -3.122 -3.073 -7.354 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.295 -2.132 -9.909 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.785 -3.037 -7.435 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.305 -0.308 -8.678 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.162 -0.962 -7.297 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.221 -2.058 -8.454 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.618 -3.447 -9.390 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.323 -1.789 -9.966 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.435 0.613 -6.591 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.062 -1.026 -6.006 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.808 -0.362 -7.409 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.760 -5.296 -9.108 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.506 -6.617 -9.669 1.00 0.80 C ATOM 1177 C LEU A 68 -2.537 -6.921 -10.747 1.00 0.82 C ATOM 1178 O LEU A 68 -2.249 -7.568 -11.750 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.545 -7.687 -8.576 1.00 1.12 C ATOM 1180 CG LEU A 68 -1.009 -9.056 -8.998 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.432 -8.931 -9.476 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -1.111 -10.046 -7.846 1.00 1.71 C ATOM 0 H LEU A 68 -1.993 -5.301 -8.115 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.511 -6.625 -10.113 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -0.968 -7.334 -7.721 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.575 -7.804 -8.239 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.615 -9.431 -9.823 1.00 1.34 H new ATOM 0 HD11 LEU A 68 0.803 -9.912 -9.774 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.475 -8.253 -10.328 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.050 -8.539 -8.669 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.725 -11.015 -8.164 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.527 -9.682 -7.001 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -2.154 -10.151 -7.548 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.726 -6.383 -10.529 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.794 -6.481 -11.510 1.00 1.24 C ATOM 1196 C LYS A 69 -4.410 -5.757 -12.798 1.00 1.20 C ATOM 1197 O LYS A 69 -4.993 -5.985 -13.855 1.00 1.61 O ATOM 1198 CB LYS A 69 -6.079 -5.886 -10.951 1.00 1.39 C ATOM 1199 CG LYS A 69 -7.317 -6.251 -11.744 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.502 -5.391 -11.352 1.00 1.50 C ATOM 1201 CE LYS A 69 -9.774 -5.852 -12.044 1.00 1.68 C ATOM 1202 NZ LYS A 69 -10.899 -4.914 -11.803 1.00 2.22 N ATOM 0 H LYS A 69 -3.976 -5.874 -9.681 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.955 -7.535 -11.734 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -6.206 -6.222 -9.922 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -5.984 -4.801 -10.923 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -7.116 -6.132 -12.809 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -7.558 -7.301 -11.580 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.640 -5.429 -10.271 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -8.301 -4.352 -11.611 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.595 -5.938 -13.116 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -10.044 -6.845 -11.685 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -11.750 -5.260 -12.290 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -11.086 -4.851 -10.782 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.650 -3.972 -12.168 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.407 -4.902 -12.697 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.927 -4.141 -13.828 1.00 1.16 C ATOM 1218 C HIS A 70 -1.671 -4.790 -14.391 1.00 0.91 C ATOM 1219 O HIS A 70 -1.613 -5.180 -15.553 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.654 -2.688 -13.419 1.00 1.41 C ATOM 1221 CG HIS A 70 -2.147 -1.833 -14.535 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.900 -0.849 -15.136 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.947 -1.823 -15.160 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -2.187 -0.273 -16.083 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.998 -0.844 -16.119 1.00 1.74 N ATOM 0 H HIS A 70 -2.906 -4.719 -11.828 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.693 -4.134 -14.603 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -3.573 -2.252 -13.028 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.926 -2.679 -12.607 1.00 1.41 H new ATOM 0 HD2 HIS A 70 -0.106 -2.466 -14.944 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -2.520 0.531 -16.722 1.00 1.76 H new ATOM 0 HE2 HIS A 70 -0.241 -0.598 -16.756 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.660 -4.882 -13.529 1.00 0.76 N ATOM 1235 CA VAL A 71 0.672 -5.294 -13.903 1.00 0.69 C ATOM 1236 C VAL A 71 0.710 -6.729 -14.423 1.00 0.52 C ATOM 1237 O VAL A 71 1.313 -7.010 -15.460 1.00 0.59 O ATOM 1238 CB VAL A 71 1.635 -5.112 -12.710 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.140 -5.801 -11.486 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.015 -5.586 -13.045 1.00 1.46 C ATOM 0 H VAL A 71 -0.755 -4.666 -12.537 1.00 0.76 H new ATOM 0 HA VAL A 71 0.998 -4.656 -14.725 1.00 0.69 H new ATOM 0 HB VAL A 71 1.676 -4.043 -12.502 1.00 0.81 H new ATOM 0 HG11 VAL A 71 1.847 -5.648 -10.671 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.169 -5.392 -11.206 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.041 -6.868 -11.684 1.00 1.01 H new ATOM 0 HG21 VAL A 71 3.668 -5.444 -12.184 1.00 1.46 H new ATOM 0 HG22 VAL A 71 2.983 -6.644 -13.305 1.00 1.46 H new ATOM 0 HG23 VAL A 71 3.400 -5.016 -13.890 1.00 1.46 H new ATOM 1250 N VAL A 72 0.057 -7.632 -13.716 1.00 0.44 N ATOM 1251 CA VAL A 72 0.029 -9.013 -14.125 1.00 0.46 C ATOM 1252 C VAL A 72 -1.210 -9.272 -14.974 1.00 0.47 C ATOM 1253 O VAL A 72 -1.354 -10.322 -15.606 1.00 0.64 O ATOM 1254 CB VAL A 72 0.066 -9.948 -12.899 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.323 -10.372 -12.447 1.00 0.74 C ATOM 1256 CG2 VAL A 72 0.965 -11.129 -13.165 1.00 0.80 C ATOM 0 H VAL A 72 -0.458 -7.430 -12.859 1.00 0.44 H new ATOM 0 HA VAL A 72 0.914 -9.223 -14.725 1.00 0.46 H new ATOM 0 HB VAL A 72 0.487 -9.385 -12.066 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -1.239 -11.029 -11.581 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.903 -9.489 -12.178 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.823 -10.902 -13.257 1.00 0.74 H new ATOM 0 HG21 VAL A 72 0.980 -11.779 -12.290 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.590 -11.685 -14.024 1.00 0.80 H new ATOM 0 HG23 VAL A 72 1.975 -10.777 -13.373 1.00 0.80 H new ATOM 1266 N GLY A 73 -2.093 -8.282 -14.996 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.300 -8.371 -15.776 1.00 0.48 C ATOM 1268 C GLY A 73 -4.377 -9.162 -15.074 1.00 0.50 C ATOM 1269 O GLY A 73 -4.108 -9.868 -14.099 1.00 0.55 O ATOM 0 H GLY A 73 -1.987 -7.410 -14.478 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.669 -7.367 -15.987 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.077 -8.837 -16.736 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.596 -9.055 -15.572 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.712 -9.810 -15.025 1.00 0.58 C ATOM 1275 C GLU A 74 -6.520 -11.292 -15.315 1.00 0.53 C ATOM 1276 O GLU A 74 -7.090 -12.149 -14.649 1.00 0.60 O ATOM 1277 CB GLU A 74 -8.027 -9.301 -15.611 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.307 -7.848 -15.266 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.595 -7.341 -15.870 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -10.668 -7.584 -15.282 1.00 2.10 O ATOM 1281 OE2 GLU A 74 -9.544 -6.700 -16.938 1.00 2.31 O ATOM 0 H GLU A 74 -5.840 -8.451 -16.357 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.749 -9.672 -13.944 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -8.003 -9.413 -16.695 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.846 -9.920 -15.244 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -8.351 -7.739 -14.182 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -7.479 -7.230 -15.615 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.701 -11.565 -16.323 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.269 -12.912 -16.668 1.00 0.55 C ATOM 1290 C GLU A 75 -4.630 -13.625 -15.482 1.00 0.53 C ATOM 1291 O GLU A 75 -5.156 -14.617 -14.979 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.270 -12.825 -17.825 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.623 -14.147 -18.192 1.00 0.95 C ATOM 1294 CD GLU A 75 -2.781 -14.043 -19.444 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -3.358 -14.069 -20.553 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -1.542 -13.937 -19.331 1.00 2.00 O ATOM 0 H GLU A 75 -5.313 -10.845 -16.933 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.144 -13.492 -16.961 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.781 -12.428 -18.702 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.489 -12.112 -17.562 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.000 -14.487 -17.365 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -4.397 -14.900 -18.338 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.494 -13.114 -15.039 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.703 -13.794 -14.041 1.00 0.51 C ATOM 1305 C LYS A 76 -3.283 -13.595 -12.650 1.00 0.55 C ATOM 1306 O LYS A 76 -3.226 -14.498 -11.820 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.268 -13.303 -14.110 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.646 -13.448 -15.493 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.579 -14.901 -15.938 1.00 1.43 C ATOM 1310 CE LYS A 76 0.328 -15.717 -15.037 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.497 -17.109 -15.526 1.00 1.13 N ATOM 0 H LYS A 76 -3.102 -12.228 -15.359 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.721 -14.864 -14.247 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.236 -12.255 -13.813 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.667 -13.857 -13.389 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.228 -12.874 -16.214 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.358 -13.025 -15.485 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -1.581 -15.331 -15.933 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.215 -14.952 -16.964 1.00 1.43 H new ATOM 0 HE2 LYS A 76 1.304 -15.235 -14.973 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.085 -15.735 -14.028 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 1.354 -17.523 -15.107 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.331 -17.676 -15.252 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.586 -17.105 -16.562 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.861 -12.424 -12.404 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.517 -12.149 -11.130 1.00 0.64 C ATOM 1327 C ALA A 77 -5.692 -13.098 -10.923 1.00 0.65 C ATOM 1328 O ALA A 77 -6.096 -13.373 -9.795 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.983 -10.702 -11.069 1.00 0.68 C ATOM 0 H ALA A 77 -3.889 -11.651 -13.069 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.796 -12.310 -10.329 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.470 -10.517 -10.111 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -4.125 -10.039 -11.174 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.689 -10.513 -11.878 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.225 -13.606 -12.031 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.284 -14.599 -11.995 1.00 0.67 C ATOM 1337 C ALA A 78 -6.737 -15.926 -11.490 1.00 0.67 C ATOM 1338 O ALA A 78 -7.437 -16.689 -10.821 1.00 0.73 O ATOM 1339 CB ALA A 78 -7.883 -14.769 -13.385 1.00 0.66 C ATOM 0 H ALA A 78 -5.934 -13.340 -12.972 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.066 -14.262 -11.314 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.677 -15.515 -13.350 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.294 -13.818 -13.723 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.108 -15.096 -14.078 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.474 -16.183 -11.797 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.833 -17.428 -11.417 1.00 0.65 C ATOM 1347 C GLU A 79 -4.379 -17.396 -9.970 1.00 0.66 C ATOM 1348 O GLU A 79 -4.407 -18.411 -9.285 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.624 -17.716 -12.299 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.900 -17.637 -13.783 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.768 -18.233 -14.593 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -1.595 -18.042 -14.221 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -3.049 -18.877 -15.624 1.00 1.26 O ATOM 0 H GLU A 79 -4.872 -15.540 -12.311 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.576 -18.215 -11.546 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -2.832 -17.009 -12.051 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.247 -18.712 -12.064 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -4.827 -18.164 -14.010 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.046 -16.596 -14.072 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.972 -16.214 -9.511 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.760 -15.953 -8.105 1.00 0.70 C ATOM 1362 C LEU A 80 -5.057 -16.142 -7.322 1.00 0.74 C ATOM 1363 O LEU A 80 -5.079 -16.773 -6.265 1.00 0.80 O ATOM 1364 CB LEU A 80 -3.263 -14.518 -7.947 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.771 -14.273 -8.207 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.942 -14.918 -7.120 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -1.312 -14.777 -9.566 1.00 0.98 C ATOM 0 H LEU A 80 -3.782 -15.413 -10.113 1.00 0.66 H new ATOM 0 HA LEU A 80 -3.022 -16.653 -7.713 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.835 -13.883 -8.624 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -3.490 -14.189 -6.933 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.627 -13.193 -8.201 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.115 -14.738 -7.314 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.212 -14.490 -6.154 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -1.131 -15.991 -7.107 1.00 0.97 H new ATOM 0 HD21 LEU A 80 -0.248 -14.574 -9.689 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -1.487 -15.851 -9.634 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -1.872 -14.268 -10.351 1.00 0.98 H new ATOM 1379 N LYS A 81 -6.138 -15.587 -7.863 1.00 0.74 N ATOM 1380 CA LYS A 81 -7.454 -15.658 -7.238 1.00 0.79 C ATOM 1381 C LYS A 81 -7.924 -17.102 -7.091 1.00 0.77 C ATOM 1382 O LYS A 81 -8.249 -17.549 -5.989 1.00 0.79 O ATOM 1383 CB LYS A 81 -8.462 -14.851 -8.067 1.00 0.83 C ATOM 1384 CG LYS A 81 -9.906 -14.953 -7.588 1.00 1.18 C ATOM 1385 CD LYS A 81 -10.057 -14.542 -6.129 1.00 1.34 C ATOM 1386 CE LYS A 81 -11.519 -14.368 -5.744 1.00 1.68 C ATOM 1387 NZ LYS A 81 -12.310 -15.610 -5.956 1.00 2.12 N ATOM 0 H LYS A 81 -6.126 -15.076 -8.746 1.00 0.74 H new ATOM 0 HA LYS A 81 -7.382 -15.232 -6.237 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -8.163 -13.803 -8.057 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.412 -15.187 -9.103 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -10.539 -14.320 -8.210 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -10.258 -15.977 -7.714 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -9.599 -15.296 -5.489 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.521 -13.609 -5.956 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -11.584 -14.073 -4.697 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -11.953 -13.559 -6.331 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -13.273 -15.476 -5.586 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -12.356 -15.823 -6.973 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -11.855 -16.401 -5.457 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.945 -17.836 -8.197 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.410 -19.207 -8.184 1.00 0.75 C ATOM 1403 C ASN A 82 -7.380 -20.115 -7.536 1.00 0.74 C ATOM 1404 O ASN A 82 -7.670 -21.278 -7.267 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.719 -19.660 -9.599 1.00 0.73 C ATOM 1406 CG ASN A 82 -10.035 -19.114 -10.116 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -11.091 -19.720 -9.931 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -9.983 -17.965 -10.770 1.00 1.54 N ATOM 0 H ASN A 82 -7.644 -17.500 -9.112 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.324 -19.265 -7.593 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -7.914 -19.342 -10.261 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -8.746 -20.749 -9.629 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.838 -17.551 -11.142 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -9.088 -17.494 -10.902 1.00 1.54 H new ATOM 1415 N LEU A 83 -6.195 -19.610 -7.272 1.00 0.72 N ATOM 1416 CA LEU A 83 -5.246 -20.367 -6.504 1.00 0.72 C ATOM 1417 C LEU A 83 -5.677 -20.386 -5.049 1.00 0.74 C ATOM 1418 O LEU A 83 -5.916 -21.451 -4.482 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.850 -19.774 -6.648 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.902 -20.539 -7.576 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.577 -19.811 -7.692 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -2.680 -21.958 -7.075 1.00 1.37 C ATOM 0 H LEU A 83 -5.873 -18.691 -7.575 1.00 0.72 H new ATOM 0 HA LEU A 83 -5.214 -21.391 -6.877 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.944 -18.752 -7.016 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -3.395 -19.716 -5.659 1.00 0.75 H new ATOM 0 HG LEU A 83 -3.362 -20.593 -8.563 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.913 -20.367 -8.355 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.744 -18.814 -8.099 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -1.119 -19.729 -6.706 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -2.003 -22.481 -7.751 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -2.244 -21.927 -6.077 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -3.634 -22.484 -7.038 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.795 -19.199 -4.463 1.00 0.76 N ATOM 1435 CA LYS A 84 -6.175 -19.068 -3.059 1.00 0.81 C ATOM 1436 C LYS A 84 -7.476 -19.812 -2.776 1.00 0.83 C ATOM 1437 O LYS A 84 -7.574 -20.563 -1.807 1.00 0.87 O ATOM 1438 CB LYS A 84 -6.330 -17.593 -2.678 1.00 0.88 C ATOM 1439 CG LYS A 84 -6.467 -17.371 -1.178 1.00 0.96 C ATOM 1440 CD LYS A 84 -6.736 -15.912 -0.840 1.00 1.19 C ATOM 1441 CE LYS A 84 -8.127 -15.484 -1.279 1.00 1.54 C ATOM 1442 NZ LYS A 84 -8.395 -14.057 -0.961 1.00 2.27 N ATOM 0 H LYS A 84 -5.633 -18.312 -4.939 1.00 0.76 H new ATOM 0 HA LYS A 84 -5.381 -19.509 -2.456 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -5.466 -17.038 -3.043 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -7.207 -17.185 -3.181 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -7.279 -17.988 -0.793 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -5.555 -17.697 -0.678 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -6.630 -15.761 0.234 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -5.991 -15.282 -1.325 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -8.234 -15.643 -2.352 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -8.871 -16.111 -0.788 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -9.353 -13.805 -1.276 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -8.318 -13.910 0.066 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -7.701 -13.456 -1.450 1.00 2.27 H new ATOM 1456 N ASP A 85 -8.458 -19.602 -3.640 1.00 0.84 N ATOM 1457 CA ASP A 85 -9.770 -20.232 -3.502 1.00 0.91 C ATOM 1458 C ASP A 85 -9.673 -21.754 -3.574 1.00 0.90 C ATOM 1459 O ASP A 85 -10.355 -22.459 -2.832 1.00 0.94 O ATOM 1460 CB ASP A 85 -10.700 -19.733 -4.606 1.00 0.98 C ATOM 1461 CG ASP A 85 -12.117 -20.242 -4.450 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -12.914 -19.593 -3.740 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -12.436 -21.300 -5.030 1.00 2.52 O ATOM 0 H ASP A 85 -8.372 -18.994 -4.454 1.00 0.84 H new ATOM 0 HA ASP A 85 -10.168 -19.961 -2.524 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -10.707 -18.643 -4.604 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -10.310 -20.047 -5.574 1.00 0.98 H new ATOM 1468 N SER A 86 -8.815 -22.261 -4.447 1.00 0.86 N ATOM 1469 CA SER A 86 -8.670 -23.705 -4.599 1.00 0.90 C ATOM 1470 C SER A 86 -7.728 -24.286 -3.545 1.00 0.84 C ATOM 1471 O SER A 86 -7.545 -25.500 -3.465 1.00 0.96 O ATOM 1472 CB SER A 86 -8.161 -24.040 -6.003 1.00 0.97 C ATOM 1473 OG SER A 86 -8.203 -25.436 -6.254 1.00 1.52 O ATOM 0 H SER A 86 -8.215 -21.704 -5.055 1.00 0.86 H new ATOM 0 HA SER A 86 -9.652 -24.156 -4.456 1.00 0.90 H new ATOM 0 HB2 SER A 86 -8.766 -23.518 -6.744 1.00 0.97 H new ATOM 0 HB3 SER A 86 -7.138 -23.680 -6.116 1.00 0.97 H new ATOM 0 HG SER A 86 -7.954 -25.922 -5.440 1.00 1.52 H new ATOM 1479 N GLY A 87 -7.126 -23.421 -2.746 1.00 0.80 N ATOM 1480 CA GLY A 87 -6.319 -23.886 -1.634 1.00 0.88 C ATOM 1481 C GLY A 87 -4.847 -23.621 -1.843 1.00 0.82 C ATOM 1482 O GLY A 87 -4.009 -24.483 -1.580 1.00 0.92 O ATOM 0 H GLY A 87 -7.180 -22.407 -2.845 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -6.648 -23.394 -0.719 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -6.477 -24.956 -1.496 1.00 0.88 H new ATOM 1486 N ALA A 88 -4.533 -22.436 -2.326 1.00 0.76 N ATOM 1487 CA ALA A 88 -3.151 -22.001 -2.366 1.00 0.76 C ATOM 1488 C ALA A 88 -2.788 -21.387 -1.034 1.00 0.80 C ATOM 1489 O ALA A 88 -3.472 -20.494 -0.527 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.925 -20.996 -3.475 1.00 0.76 C ATOM 0 H ALA A 88 -5.207 -21.764 -2.692 1.00 0.76 H new ATOM 0 HA ALA A 88 -2.518 -22.866 -2.564 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.879 -20.688 -3.480 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -3.174 -21.450 -4.434 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -3.559 -20.124 -3.311 1.00 0.76 H new ATOM 1496 N SER A 89 -1.714 -21.900 -0.473 1.00 0.81 N ATOM 1497 CA SER A 89 -1.155 -21.376 0.741 1.00 0.86 C ATOM 1498 C SER A 89 -0.428 -20.073 0.452 1.00 0.78 C ATOM 1499 O SER A 89 -0.360 -19.644 -0.708 1.00 0.77 O ATOM 1500 CB SER A 89 -0.197 -22.402 1.336 1.00 0.93 C ATOM 1501 OG SER A 89 0.762 -22.810 0.375 1.00 1.60 O ATOM 0 H SER A 89 -1.205 -22.698 -0.854 1.00 0.81 H new ATOM 0 HA SER A 89 -1.951 -21.175 1.458 1.00 0.86 H new ATOM 0 HB2 SER A 89 0.308 -21.975 2.202 1.00 0.93 H new ATOM 0 HB3 SER A 89 -0.757 -23.268 1.688 1.00 0.93 H new ATOM 0 HG SER A 89 1.368 -23.467 0.776 1.00 1.60 H new ATOM 1507 N LYS A 90 0.129 -19.452 1.474 1.00 0.76 N ATOM 1508 CA LYS A 90 0.852 -18.209 1.277 1.00 0.74 C ATOM 1509 C LYS A 90 2.036 -18.421 0.334 1.00 0.69 C ATOM 1510 O LYS A 90 2.417 -17.519 -0.405 1.00 0.67 O ATOM 1511 CB LYS A 90 1.321 -17.624 2.617 1.00 0.81 C ATOM 1512 CG LYS A 90 2.302 -18.500 3.376 1.00 1.29 C ATOM 1513 CD LYS A 90 2.773 -17.821 4.653 1.00 1.77 C ATOM 1514 CE LYS A 90 3.811 -18.659 5.379 1.00 2.22 C ATOM 1515 NZ LYS A 90 4.303 -17.990 6.612 1.00 2.96 N ATOM 0 H LYS A 90 0.096 -19.782 2.439 1.00 0.76 H new ATOM 0 HA LYS A 90 0.172 -17.491 0.819 1.00 0.74 H new ATOM 0 HB2 LYS A 90 1.785 -16.655 2.434 1.00 0.81 H new ATOM 0 HB3 LYS A 90 0.449 -17.446 3.247 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.830 -19.452 3.620 1.00 1.29 H new ATOM 0 HG3 LYS A 90 3.160 -18.723 2.742 1.00 1.29 H new ATOM 0 HD2 LYS A 90 3.195 -16.845 4.413 1.00 1.77 H new ATOM 0 HD3 LYS A 90 1.920 -17.647 5.310 1.00 1.77 H new ATOM 0 HE2 LYS A 90 3.380 -19.626 5.639 1.00 2.22 H new ATOM 0 HE3 LYS A 90 4.651 -18.853 4.712 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 5.192 -18.436 6.918 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 4.470 -16.982 6.417 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 3.592 -18.084 7.365 1.00 2.96 H new ATOM 1529 N GLU A 91 2.586 -19.632 0.321 1.00 0.71 N ATOM 1530 CA GLU A 91 3.769 -19.902 -0.474 1.00 0.70 C ATOM 1531 C GLU A 91 3.422 -20.104 -1.952 1.00 0.67 C ATOM 1532 O GLU A 91 4.115 -19.612 -2.822 1.00 0.67 O ATOM 1533 CB GLU A 91 4.522 -21.115 0.075 1.00 0.73 C ATOM 1534 CG GLU A 91 5.737 -21.503 -0.748 1.00 1.30 C ATOM 1535 CD GLU A 91 6.432 -22.740 -0.216 1.00 1.74 C ATOM 1536 OE1 GLU A 91 6.022 -23.859 -0.581 1.00 2.34 O ATOM 1537 OE2 GLU A 91 7.403 -22.596 0.560 1.00 2.10 O ATOM 0 H GLU A 91 2.233 -20.431 0.848 1.00 0.71 H new ATOM 0 HA GLU A 91 4.418 -19.029 -0.405 1.00 0.70 H new ATOM 0 HB2 GLU A 91 4.839 -20.903 1.096 1.00 0.73 H new ATOM 0 HB3 GLU A 91 3.840 -21.964 0.122 1.00 0.73 H new ATOM 0 HG2 GLU A 91 5.431 -21.678 -1.780 1.00 1.30 H new ATOM 0 HG3 GLU A 91 6.442 -20.672 -0.761 1.00 1.30 H new ATOM 1544 N GLU A 92 2.370 -20.861 -2.226 1.00 0.66 N ATOM 1545 CA GLU A 92 1.851 -21.056 -3.567 1.00 0.65 C ATOM 1546 C GLU A 92 1.571 -19.720 -4.232 1.00 0.60 C ATOM 1547 O GLU A 92 1.864 -19.535 -5.407 1.00 0.57 O ATOM 1548 CB GLU A 92 0.560 -21.843 -3.483 1.00 0.69 C ATOM 1549 CG GLU A 92 0.710 -23.188 -2.816 1.00 0.74 C ATOM 1550 CD GLU A 92 1.518 -24.156 -3.647 1.00 1.06 C ATOM 1551 OE1 GLU A 92 0.978 -24.685 -4.640 1.00 1.10 O ATOM 1552 OE2 GLU A 92 2.704 -24.379 -3.328 1.00 1.45 O ATOM 0 H GLU A 92 1.846 -21.364 -1.510 1.00 0.66 H new ATOM 0 HA GLU A 92 2.592 -21.595 -4.158 1.00 0.65 H new ATOM 0 HB2 GLU A 92 -0.177 -21.256 -2.935 1.00 0.69 H new ATOM 0 HB3 GLU A 92 0.168 -21.989 -4.490 1.00 0.69 H new ATOM 0 HG2 GLU A 92 1.190 -23.058 -1.846 1.00 0.74 H new ATOM 0 HG3 GLU A 92 -0.277 -23.610 -2.629 1.00 0.74 H new ATOM 1559 N LEU A 93 1.009 -18.795 -3.464 1.00 0.61 N ATOM 1560 CA LEU A 93 0.834 -17.424 -3.940 1.00 0.60 C ATOM 1561 C LEU A 93 2.199 -16.758 -4.014 1.00 0.61 C ATOM 1562 O LEU A 93 2.454 -16.028 -4.964 1.00 0.64 O ATOM 1563 CB LEU A 93 -0.141 -16.653 -3.054 1.00 0.64 C ATOM 1564 CG LEU A 93 -1.568 -17.214 -3.059 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -2.506 -16.319 -2.276 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -2.072 -17.385 -4.484 1.00 1.07 C ATOM 0 H LEU A 93 0.669 -18.964 -2.517 1.00 0.61 H new ATOM 0 HA LEU A 93 0.394 -17.430 -4.937 1.00 0.60 H new ATOM 0 HB2 LEU A 93 0.235 -16.655 -2.031 1.00 0.64 H new ATOM 0 HB3 LEU A 93 -0.169 -15.614 -3.382 1.00 0.64 H new ATOM 0 HG LEU A 93 -1.545 -18.191 -2.577 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -3.511 -16.740 -2.295 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -2.163 -16.247 -1.244 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -2.520 -15.326 -2.724 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -3.086 -17.784 -4.466 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -2.071 -16.419 -4.989 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -1.420 -18.075 -5.020 1.00 1.07 H new ATOM 1578 N LYS A 94 3.092 -17.011 -3.078 1.00 0.61 N ATOM 1579 CA LYS A 94 4.394 -16.358 -3.071 1.00 0.61 C ATOM 1580 C LYS A 94 5.191 -16.782 -4.288 1.00 0.66 C ATOM 1581 O LYS A 94 5.840 -15.967 -4.944 1.00 0.72 O ATOM 1582 CB LYS A 94 5.149 -16.732 -1.793 1.00 0.64 C ATOM 1583 CG LYS A 94 6.535 -16.121 -1.673 1.00 0.69 C ATOM 1584 CD LYS A 94 7.199 -16.534 -0.368 1.00 1.16 C ATOM 1585 CE LYS A 94 8.614 -15.994 -0.255 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.535 -16.607 -1.248 1.00 2.06 N ATOM 0 H LYS A 94 2.943 -17.665 -2.309 1.00 0.61 H new ATOM 0 HA LYS A 94 4.255 -15.277 -3.101 1.00 0.61 H new ATOM 0 HB2 LYS A 94 4.555 -16.423 -0.933 1.00 0.64 H new ATOM 0 HB3 LYS A 94 5.240 -17.817 -1.745 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.151 -16.438 -2.515 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.463 -15.034 -1.721 1.00 0.69 H new ATOM 0 HD2 LYS A 94 6.605 -16.173 0.471 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.219 -17.622 -0.300 1.00 1.16 H new ATOM 0 HE2 LYS A 94 8.600 -14.913 -0.395 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.992 -16.180 0.750 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.513 -16.324 -1.035 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 9.456 -17.643 -1.201 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 9.281 -16.283 -2.203 1.00 2.06 H new ATOM 1600 N ALA A 95 5.101 -18.061 -4.588 1.00 0.67 N ATOM 1601 CA ALA A 95 5.872 -18.647 -5.653 1.00 0.73 C ATOM 1602 C ALA A 95 5.147 -18.563 -6.983 1.00 0.73 C ATOM 1603 O ALA A 95 5.733 -18.743 -8.047 1.00 0.93 O ATOM 1604 CB ALA A 95 6.236 -20.076 -5.324 1.00 0.77 C ATOM 0 H ALA A 95 4.492 -18.718 -4.100 1.00 0.67 H new ATOM 0 HA ALA A 95 6.792 -18.071 -5.749 1.00 0.73 H new ATOM 0 HB1 ALA A 95 6.818 -20.501 -6.142 1.00 0.77 H new ATOM 0 HB2 ALA A 95 6.826 -20.099 -4.408 1.00 0.77 H new ATOM 0 HB3 ALA A 95 5.326 -20.660 -5.185 1.00 0.77 H new ATOM 1610 N LYS A 96 3.847 -18.281 -6.884 1.00 0.70 N ATOM 1611 CA LYS A 96 3.090 -17.870 -8.070 1.00 0.76 C ATOM 1612 C LYS A 96 3.529 -16.484 -8.526 1.00 0.58 C ATOM 1613 O LYS A 96 4.032 -16.306 -9.635 1.00 0.55 O ATOM 1614 CB LYS A 96 1.585 -17.875 -7.800 1.00 1.02 C ATOM 1615 CG LYS A 96 0.738 -17.524 -9.014 1.00 1.75 C ATOM 1616 CD LYS A 96 0.876 -18.553 -10.129 1.00 2.07 C ATOM 1617 CE LYS A 96 -0.071 -18.246 -11.278 1.00 2.92 C ATOM 1618 NZ LYS A 96 0.071 -19.212 -12.399 1.00 3.11 N ATOM 0 H LYS A 96 3.307 -18.327 -6.020 1.00 0.70 H new ATOM 0 HA LYS A 96 3.297 -18.591 -8.861 1.00 0.76 H new ATOM 0 HB2 LYS A 96 1.294 -18.862 -7.440 1.00 1.02 H new ATOM 0 HB3 LYS A 96 1.367 -17.167 -7.001 1.00 1.02 H new ATOM 0 HG2 LYS A 96 -0.308 -17.451 -8.716 1.00 1.75 H new ATOM 0 HG3 LYS A 96 1.032 -16.543 -9.389 1.00 1.75 H new ATOM 0 HD2 LYS A 96 1.903 -18.563 -10.493 1.00 2.07 H new ATOM 0 HD3 LYS A 96 0.667 -19.548 -9.737 1.00 2.07 H new ATOM 0 HE2 LYS A 96 -1.098 -18.264 -10.914 1.00 2.92 H new ATOM 0 HE3 LYS A 96 0.120 -17.237 -11.644 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 -0.319 -18.795 -13.268 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 1.077 -19.433 -12.542 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 -0.446 -20.085 -12.172 1.00 3.11 H new ATOM 1632 N VAL A 97 3.290 -15.512 -7.646 1.00 0.62 N ATOM 1633 CA VAL A 97 3.577 -14.110 -7.904 1.00 0.57 C ATOM 1634 C VAL A 97 4.963 -13.899 -8.498 1.00 0.54 C ATOM 1635 O VAL A 97 5.119 -13.138 -9.450 1.00 0.59 O ATOM 1636 CB VAL A 97 3.444 -13.286 -6.614 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.829 -11.841 -6.848 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.027 -13.377 -6.099 1.00 0.93 C ATOM 0 H VAL A 97 2.887 -15.683 -6.725 1.00 0.62 H new ATOM 0 HA VAL A 97 2.845 -13.772 -8.637 1.00 0.57 H new ATOM 0 HB VAL A 97 4.126 -13.695 -5.868 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.725 -11.282 -5.918 1.00 0.97 H new ATOM 0 HG12 VAL A 97 4.863 -11.791 -7.188 1.00 0.97 H new ATOM 0 HG13 VAL A 97 3.176 -11.409 -7.606 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.934 -12.792 -5.184 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.341 -12.986 -6.851 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.782 -14.418 -5.890 1.00 0.93 H new ATOM 1648 N GLU A 98 5.962 -14.572 -7.940 1.00 0.53 N ATOM 1649 CA GLU A 98 7.317 -14.459 -8.457 1.00 0.57 C ATOM 1650 C GLU A 98 7.375 -14.865 -9.919 1.00 0.52 C ATOM 1651 O GLU A 98 7.919 -14.135 -10.734 1.00 0.53 O ATOM 1652 CB GLU A 98 8.298 -15.298 -7.652 1.00 0.68 C ATOM 1653 CG GLU A 98 8.607 -14.718 -6.285 1.00 0.81 C ATOM 1654 CD GLU A 98 9.120 -13.294 -6.364 1.00 1.31 C ATOM 1655 OE1 GLU A 98 10.178 -13.073 -6.998 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.468 -12.387 -5.803 1.00 2.03 O ATOM 0 H GLU A 98 5.860 -15.195 -7.139 1.00 0.53 H new ATOM 0 HA GLU A 98 7.607 -13.412 -8.366 1.00 0.57 H new ATOM 0 HB2 GLU A 98 7.891 -16.302 -7.529 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.226 -15.398 -8.214 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.707 -14.743 -5.671 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.350 -15.342 -5.788 1.00 0.81 H new ATOM 1663 N GLU A 99 6.797 -16.013 -10.247 1.00 0.49 N ATOM 1664 CA GLU A 99 6.791 -16.488 -11.624 1.00 0.49 C ATOM 1665 C GLU A 99 6.143 -15.457 -12.533 1.00 0.48 C ATOM 1666 O GLU A 99 6.640 -15.181 -13.621 1.00 0.51 O ATOM 1667 CB GLU A 99 6.062 -17.825 -11.749 1.00 0.52 C ATOM 1668 CG GLU A 99 6.685 -18.937 -10.928 1.00 0.91 C ATOM 1669 CD GLU A 99 6.092 -20.294 -11.237 1.00 1.68 C ATOM 1670 OE1 GLU A 99 4.961 -20.577 -10.787 1.00 2.48 O ATOM 1671 OE2 GLU A 99 6.758 -21.092 -11.928 1.00 1.82 O ATOM 0 H GLU A 99 6.329 -16.629 -9.583 1.00 0.49 H new ATOM 0 HA GLU A 99 7.827 -16.637 -11.930 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.025 -17.694 -11.440 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.046 -18.124 -12.797 1.00 0.52 H new ATOM 0 HG2 GLU A 99 7.759 -18.963 -11.115 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.551 -18.719 -9.868 1.00 0.91 H new ATOM 1678 N ALA A 100 5.053 -14.860 -12.063 1.00 0.49 N ATOM 1679 CA ALA A 100 4.350 -13.853 -12.838 1.00 0.55 C ATOM 1680 C ALA A 100 5.206 -12.596 -13.018 1.00 0.54 C ATOM 1681 O ALA A 100 5.477 -12.172 -14.141 1.00 0.58 O ATOM 1682 CB ALA A 100 3.035 -13.520 -12.161 1.00 0.63 C ATOM 0 H ALA A 100 4.641 -15.058 -11.151 1.00 0.49 H new ATOM 0 HA ALA A 100 4.148 -14.253 -13.832 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.507 -12.764 -12.743 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.422 -14.419 -12.094 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.228 -13.137 -11.159 1.00 0.63 H new ATOM 1688 N LEU A 101 5.626 -12.015 -11.900 1.00 0.51 N ATOM 1689 CA LEU A 101 6.477 -10.844 -11.886 1.00 0.53 C ATOM 1690 C LEU A 101 7.868 -11.098 -12.468 1.00 0.51 C ATOM 1691 O LEU A 101 8.648 -10.160 -12.621 1.00 0.53 O ATOM 1692 CB LEU A 101 6.589 -10.333 -10.456 1.00 0.53 C ATOM 1693 CG LEU A 101 5.458 -9.401 -10.016 1.00 0.66 C ATOM 1694 CD1 LEU A 101 4.087 -10.033 -10.179 1.00 1.40 C ATOM 1695 CD2 LEU A 101 5.669 -8.954 -8.581 1.00 1.28 C ATOM 0 H LEU A 101 5.379 -12.352 -10.970 1.00 0.51 H new ATOM 0 HA LEU A 101 6.014 -10.095 -12.529 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.619 -11.188 -9.781 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.537 -9.807 -10.346 1.00 0.53 H new ATOM 0 HG LEU A 101 5.487 -8.531 -10.672 1.00 0.66 H new ATOM 0 HD11 LEU A 101 3.321 -9.330 -9.852 1.00 1.40 H new ATOM 0 HD12 LEU A 101 3.925 -10.285 -11.227 1.00 1.40 H new ATOM 0 HD13 LEU A 101 4.030 -10.938 -9.575 1.00 1.40 H new ATOM 0 HD21 LEU A 101 4.856 -8.292 -8.283 1.00 1.28 H new ATOM 0 HD22 LEU A 101 5.685 -9.826 -7.927 1.00 1.28 H new ATOM 0 HD23 LEU A 101 6.618 -8.423 -8.501 1.00 1.28 H new ATOM 1707 N HIS A 102 8.209 -12.345 -12.763 1.00 0.51 N ATOM 1708 CA HIS A 102 9.421 -12.592 -13.527 1.00 0.53 C ATOM 1709 C HIS A 102 9.029 -12.606 -14.999 1.00 0.56 C ATOM 1710 O HIS A 102 9.601 -11.876 -15.811 1.00 0.57 O ATOM 1711 CB HIS A 102 10.123 -13.884 -13.097 1.00 0.55 C ATOM 1712 CG HIS A 102 10.616 -13.874 -11.683 1.00 1.07 C ATOM 1713 ND1 HIS A 102 10.967 -15.021 -11.006 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.788 -12.859 -10.805 1.00 1.39 C ATOM 1715 CE1 HIS A 102 11.327 -14.711 -9.775 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.228 -13.405 -9.624 1.00 2.14 N ATOM 0 H HIS A 102 7.682 -13.176 -12.495 1.00 0.51 H new ATOM 0 HA HIS A 102 10.151 -11.804 -13.342 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.433 -14.718 -13.223 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.967 -14.065 -13.763 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.612 -11.811 -10.998 1.00 1.39 H new ATOM 0 HE1 HIS A 102 11.649 -15.410 -9.018 1.00 2.48 H new ATOM 0 HE2 HIS A 102 11.442 -12.887 -8.772 1.00 2.14 H new ATOM 1725 N ALA A 103 8.059 -13.456 -15.335 1.00 0.58 N ATOM 1726 CA ALA A 103 7.635 -13.678 -16.720 1.00 0.61 C ATOM 1727 C ALA A 103 7.000 -12.440 -17.363 1.00 0.61 C ATOM 1728 O ALA A 103 6.562 -12.489 -18.513 1.00 0.64 O ATOM 1729 CB ALA A 103 6.670 -14.850 -16.780 1.00 0.63 C ATOM 0 H ALA A 103 7.543 -14.012 -14.653 1.00 0.58 H new ATOM 0 HA ALA A 103 8.534 -13.900 -17.295 1.00 0.61 H new ATOM 0 HB1 ALA A 103 6.357 -15.011 -17.812 1.00 0.63 H new ATOM 0 HB2 ALA A 103 7.163 -15.747 -16.406 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.796 -14.634 -16.166 1.00 0.63 H new ATOM 1735 N VAL A 104 6.951 -11.338 -16.634 1.00 0.60 N ATOM 1736 CA VAL A 104 6.443 -10.095 -17.152 1.00 0.63 C ATOM 1737 C VAL A 104 7.524 -9.383 -17.964 1.00 0.76 C ATOM 1738 O VAL A 104 8.710 -9.447 -17.636 1.00 1.68 O ATOM 1739 CB VAL A 104 5.990 -9.203 -15.995 1.00 0.57 C ATOM 1740 CG1 VAL A 104 7.153 -8.982 -15.069 1.00 0.60 C ATOM 1741 CG2 VAL A 104 5.431 -7.884 -16.489 1.00 0.51 C ATOM 0 H VAL A 104 7.265 -11.288 -15.665 1.00 0.60 H new ATOM 0 HA VAL A 104 5.593 -10.301 -17.803 1.00 0.63 H new ATOM 0 HB VAL A 104 5.183 -9.703 -15.459 1.00 0.57 H new ATOM 0 HG11 VAL A 104 6.842 -8.347 -14.239 1.00 0.60 H new ATOM 0 HG12 VAL A 104 7.498 -9.941 -14.682 1.00 0.60 H new ATOM 0 HG13 VAL A 104 7.964 -8.497 -15.613 1.00 0.60 H new ATOM 0 HG21 VAL A 104 5.120 -7.279 -15.637 1.00 0.51 H new ATOM 0 HG22 VAL A 104 6.198 -7.352 -17.052 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.572 -8.071 -17.134 1.00 0.51 H new ATOM 1751 N THR A 105 7.108 -8.708 -19.012 1.00 0.77 N ATOM 1752 CA THR A 105 8.075 -8.005 -19.842 1.00 0.79 C ATOM 1753 C THR A 105 7.532 -6.705 -20.424 1.00 0.75 C ATOM 1754 O THR A 105 8.226 -6.041 -21.196 1.00 0.95 O ATOM 1755 CB THR A 105 8.560 -8.894 -21.002 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.445 -9.584 -21.587 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.602 -9.902 -20.542 1.00 1.03 C ATOM 0 H THR A 105 6.135 -8.628 -19.309 1.00 0.77 H new ATOM 0 HA THR A 105 8.904 -7.761 -19.178 1.00 0.79 H new ATOM 0 HB THR A 105 9.025 -8.246 -21.744 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.759 -10.147 -22.325 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.919 -10.510 -21.389 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.463 -9.374 -20.132 1.00 1.03 H new ATOM 0 HG23 THR A 105 9.172 -10.545 -19.774 1.00 1.03 H new ATOM 1765 N ASP A 106 6.319 -6.317 -20.070 1.00 0.77 N ATOM 1766 CA ASP A 106 5.817 -5.025 -20.499 1.00 0.79 C ATOM 1767 C ASP A 106 6.255 -3.936 -19.523 1.00 0.73 C ATOM 1768 O ASP A 106 6.052 -4.044 -18.312 1.00 0.72 O ATOM 1769 CB ASP A 106 4.294 -5.050 -20.618 1.00 0.79 C ATOM 1770 CG ASP A 106 3.768 -3.910 -21.470 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.780 -4.028 -22.712 1.00 1.38 O ATOM 1772 OD2 ASP A 106 3.339 -2.888 -20.893 1.00 2.07 O ATOM 0 H ASP A 106 5.676 -6.865 -19.499 1.00 0.77 H new ATOM 0 HA ASP A 106 6.234 -4.803 -21.481 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.980 -6.000 -21.051 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.852 -4.992 -19.623 1.00 0.79 H new ATOM 1777 N GLU A 107 6.877 -2.906 -20.081 1.00 0.71 N ATOM 1778 CA GLU A 107 7.668 -1.924 -19.332 1.00 0.69 C ATOM 1779 C GLU A 107 6.905 -1.284 -18.180 1.00 0.66 C ATOM 1780 O GLU A 107 7.356 -1.302 -17.030 1.00 0.63 O ATOM 1781 CB GLU A 107 8.166 -0.815 -20.267 1.00 0.73 C ATOM 1782 CG GLU A 107 9.028 -1.295 -21.427 1.00 1.63 C ATOM 1783 CD GLU A 107 8.260 -2.117 -22.443 1.00 2.35 C ATOM 1784 OE1 GLU A 107 7.103 -1.761 -22.750 1.00 3.18 O ATOM 1785 OE2 GLU A 107 8.824 -3.104 -22.961 1.00 2.65 O ATOM 0 H GLU A 107 6.849 -2.721 -21.084 1.00 0.71 H new ATOM 0 HA GLU A 107 8.505 -2.478 -18.907 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.303 -0.284 -20.670 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.738 -0.095 -19.681 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.468 -0.431 -21.926 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.853 -1.891 -21.036 1.00 1.63 H new ATOM 1792 N GLU A 108 5.752 -0.722 -18.509 1.00 0.67 N ATOM 1793 CA GLU A 108 4.891 -0.050 -17.546 1.00 0.66 C ATOM 1794 C GLU A 108 4.599 -0.948 -16.351 1.00 0.58 C ATOM 1795 O GLU A 108 4.570 -0.500 -15.203 1.00 0.54 O ATOM 1796 CB GLU A 108 3.584 0.325 -18.241 1.00 0.76 C ATOM 1797 CG GLU A 108 2.489 0.788 -17.302 1.00 1.46 C ATOM 1798 CD GLU A 108 1.130 0.734 -17.955 1.00 2.09 C ATOM 1799 OE1 GLU A 108 0.596 -0.383 -18.122 1.00 2.78 O ATOM 1800 OE2 GLU A 108 0.584 1.798 -18.295 1.00 2.40 O ATOM 0 H GLU A 108 5.384 -0.719 -19.460 1.00 0.67 H new ATOM 0 HA GLU A 108 5.397 0.843 -17.178 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.785 1.115 -18.964 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.224 -0.537 -18.803 1.00 0.76 H new ATOM 0 HG2 GLU A 108 2.488 0.163 -16.409 1.00 1.46 H new ATOM 0 HG3 GLU A 108 2.696 1.808 -16.977 1.00 1.46 H new ATOM 1807 N LYS A 109 4.385 -2.219 -16.637 1.00 0.59 N ATOM 1808 CA LYS A 109 4.035 -3.203 -15.637 1.00 0.55 C ATOM 1809 C LYS A 109 5.198 -3.426 -14.670 1.00 0.51 C ATOM 1810 O LYS A 109 5.021 -3.449 -13.451 1.00 0.48 O ATOM 1811 CB LYS A 109 3.631 -4.502 -16.343 1.00 0.58 C ATOM 1812 CG LYS A 109 2.265 -4.439 -17.024 1.00 0.65 C ATOM 1813 CD LYS A 109 2.200 -3.381 -18.114 1.00 1.22 C ATOM 1814 CE LYS A 109 0.910 -3.456 -18.912 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.852 -2.386 -19.942 1.00 1.81 N ATOM 0 H LYS A 109 4.451 -2.598 -17.582 1.00 0.59 H new ATOM 0 HA LYS A 109 3.192 -2.846 -15.045 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.387 -4.748 -17.089 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.626 -5.313 -15.615 1.00 0.58 H new ATOM 0 HG2 LYS A 109 2.033 -5.413 -17.455 1.00 0.65 H new ATOM 0 HG3 LYS A 109 1.500 -4.231 -16.276 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.289 -2.392 -17.664 1.00 1.22 H new ATOM 0 HD3 LYS A 109 3.049 -3.503 -18.787 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.833 -4.431 -19.392 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.057 -3.363 -18.239 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.016 -2.493 -20.505 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.851 -1.456 -19.477 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 1.681 -2.460 -20.566 1.00 1.81 H new ATOM 1829 N LYS A 110 6.401 -3.521 -15.213 1.00 0.53 N ATOM 1830 CA LYS A 110 7.577 -3.802 -14.398 1.00 0.53 C ATOM 1831 C LYS A 110 7.995 -2.578 -13.585 1.00 0.51 C ATOM 1832 O LYS A 110 8.769 -2.668 -12.631 1.00 0.51 O ATOM 1833 CB LYS A 110 8.746 -4.238 -15.283 1.00 0.56 C ATOM 1834 CG LYS A 110 8.464 -5.463 -16.133 1.00 0.62 C ATOM 1835 CD LYS A 110 9.700 -5.928 -16.897 1.00 0.80 C ATOM 1836 CE LYS A 110 10.203 -4.888 -17.898 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.092 -3.868 -17.273 1.00 1.14 N ATOM 0 H LYS A 110 6.591 -3.409 -16.209 1.00 0.53 H new ATOM 0 HA LYS A 110 7.314 -4.607 -13.711 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.018 -3.411 -15.938 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.610 -4.441 -14.650 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.107 -6.272 -15.495 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.665 -5.238 -16.839 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.495 -6.157 -16.188 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.468 -6.852 -17.426 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.743 -5.393 -18.699 1.00 0.81 H new ATOM 0 HE3 LYS A 110 9.349 -4.388 -18.355 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 10.651 -2.929 -17.351 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.236 -4.101 -16.270 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.010 -3.861 -17.762 1.00 1.14 H new ATOM 1851 N GLN A 111 7.427 -1.439 -13.959 1.00 0.51 N ATOM 1852 CA GLN A 111 7.575 -0.232 -13.165 1.00 0.51 C ATOM 1853 C GLN A 111 6.851 -0.389 -11.824 1.00 0.50 C ATOM 1854 O GLN A 111 7.344 0.066 -10.794 1.00 0.51 O ATOM 1855 CB GLN A 111 7.045 0.986 -13.925 1.00 0.52 C ATOM 1856 CG GLN A 111 7.277 2.307 -13.203 1.00 1.08 C ATOM 1857 CD GLN A 111 8.742 2.565 -12.911 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.455 3.155 -13.723 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.202 2.134 -11.748 1.00 1.61 N ATOM 0 H GLN A 111 6.864 -1.328 -14.802 1.00 0.51 H new ATOM 0 HA GLN A 111 8.636 -0.073 -12.971 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.523 1.028 -14.904 1.00 0.52 H new ATOM 0 HB3 GLN A 111 5.976 0.859 -14.097 1.00 0.52 H new ATOM 0 HG2 GLN A 111 6.883 3.122 -13.810 1.00 1.08 H new ATOM 0 HG3 GLN A 111 6.719 2.308 -12.267 1.00 1.08 H new ATOM 0 HE21 GLN A 111 8.580 1.649 -11.102 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.179 2.287 -11.498 1.00 1.61 H new ATOM 1868 N TYR A 112 5.704 -1.067 -11.834 1.00 0.50 N ATOM 1869 CA TYR A 112 4.958 -1.335 -10.602 1.00 0.49 C ATOM 1870 C TYR A 112 5.662 -2.418 -9.805 1.00 0.49 C ATOM 1871 O TYR A 112 5.651 -2.417 -8.579 1.00 0.50 O ATOM 1872 CB TYR A 112 3.529 -1.786 -10.910 1.00 0.49 C ATOM 1873 CG TYR A 112 2.713 -0.764 -11.661 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.578 0.528 -11.176 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.087 -1.086 -12.858 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.836 1.468 -11.861 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.344 -0.150 -13.550 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.201 1.111 -13.046 1.00 0.80 C ATOM 1879 OH TYR A 112 0.484 2.065 -13.728 1.00 0.92 O ATOM 0 H TYR A 112 5.271 -1.441 -12.679 1.00 0.50 H new ATOM 0 HA TYR A 112 4.914 -0.412 -10.024 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.567 -2.706 -11.493 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.024 -2.023 -9.974 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.060 0.802 -10.249 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.183 -2.086 -13.255 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.749 2.475 -11.480 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.877 -0.415 -14.487 1.00 0.75 H new ATOM 0 HH TYR A 112 0.098 1.668 -14.537 1.00 0.92 H new ATOM 1889 N ILE A 113 6.279 -3.347 -10.511 1.00 0.49 N ATOM 1890 CA ILE A 113 7.017 -4.417 -9.862 1.00 0.51 C ATOM 1891 C ILE A 113 8.228 -3.873 -9.093 1.00 0.53 C ATOM 1892 O ILE A 113 8.551 -4.345 -8.004 1.00 0.54 O ATOM 1893 CB ILE A 113 7.457 -5.472 -10.883 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.215 -6.156 -11.437 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.402 -6.490 -10.256 1.00 0.59 C ATOM 1896 CD1 ILE A 113 6.512 -7.152 -12.515 1.00 0.72 C ATOM 0 H ILE A 113 6.285 -3.384 -11.530 1.00 0.49 H new ATOM 0 HA ILE A 113 6.349 -4.891 -9.143 1.00 0.51 H new ATOM 0 HB ILE A 113 8.004 -4.986 -11.691 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.693 -6.659 -10.623 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.537 -5.398 -11.830 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.695 -7.224 -11.006 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.289 -5.980 -9.881 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.898 -6.995 -9.432 1.00 0.59 H new ATOM 0 HD11 ILE A 113 5.581 -7.600 -12.863 1.00 0.72 H new ATOM 0 HD12 ILE A 113 7.007 -6.651 -13.347 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.165 -7.931 -12.121 1.00 0.72 H new ATOM 1908 N ALA A 114 8.893 -2.874 -9.662 1.00 0.56 N ATOM 1909 CA ALA A 114 9.976 -2.186 -8.967 1.00 0.59 C ATOM 1910 C ALA A 114 9.405 -1.274 -7.887 1.00 0.59 C ATOM 1911 O ALA A 114 9.943 -1.193 -6.785 1.00 0.60 O ATOM 1912 CB ALA A 114 10.812 -1.386 -9.956 1.00 0.63 C ATOM 0 H ALA A 114 8.702 -2.523 -10.600 1.00 0.56 H new ATOM 0 HA ALA A 114 10.620 -2.926 -8.493 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.617 -0.878 -9.425 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.237 -2.059 -10.701 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.182 -0.648 -10.452 1.00 0.63 H new ATOM 1918 N ASP A 115 8.321 -0.595 -8.211 1.00 0.61 N ATOM 1919 CA ASP A 115 7.733 0.395 -7.311 1.00 0.66 C ATOM 1920 C ASP A 115 7.057 -0.261 -6.110 1.00 0.60 C ATOM 1921 O ASP A 115 7.428 -0.015 -4.965 1.00 0.59 O ATOM 1922 CB ASP A 115 6.726 1.254 -8.077 1.00 0.77 C ATOM 1923 CG ASP A 115 6.161 2.387 -7.247 1.00 1.03 C ATOM 1924 OD1 ASP A 115 6.953 3.146 -6.654 1.00 1.20 O ATOM 1925 OD2 ASP A 115 4.925 2.555 -7.234 1.00 1.73 O ATOM 0 H ASP A 115 7.823 -0.708 -9.094 1.00 0.61 H new ATOM 0 HA ASP A 115 8.538 1.023 -6.931 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.209 1.666 -8.963 1.00 0.77 H new ATOM 0 HB3 ASP A 115 5.908 0.622 -8.424 1.00 0.77 H new ATOM 1930 N PHE A 116 6.081 -1.108 -6.385 1.00 0.60 N ATOM 1931 CA PHE A 116 5.263 -1.701 -5.334 1.00 0.60 C ATOM 1932 C PHE A 116 5.713 -3.111 -4.975 1.00 0.56 C ATOM 1933 O PHE A 116 5.428 -3.576 -3.881 1.00 0.55 O ATOM 1934 CB PHE A 116 3.794 -1.714 -5.745 1.00 0.68 C ATOM 1935 CG PHE A 116 2.916 -0.926 -4.830 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.369 -1.513 -3.703 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.640 0.401 -5.100 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.558 -0.790 -2.854 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.827 1.135 -4.253 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.286 0.535 -3.126 1.00 1.52 C ATOM 0 H PHE A 116 5.833 -1.403 -7.329 1.00 0.60 H new ATOM 0 HA PHE A 116 5.388 -1.081 -4.447 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.703 -1.316 -6.756 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.442 -2.745 -5.776 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.580 -2.550 -3.486 1.00 1.01 H new ATOM 0 HD2 PHE A 116 3.061 0.869 -5.978 1.00 1.11 H new ATOM 0 HE1 PHE A 116 1.136 -1.260 -1.978 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.615 2.172 -4.469 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.652 1.104 -2.462 1.00 1.52 H new ATOM 1950 N GLY A 117 6.413 -3.771 -5.891 1.00 0.55 N ATOM 1951 CA GLY A 117 6.783 -5.180 -5.716 1.00 0.56 C ATOM 1952 C GLY A 117 7.285 -5.552 -4.314 1.00 0.54 C ATOM 1953 O GLY A 117 6.617 -6.311 -3.600 1.00 0.55 O ATOM 0 H GLY A 117 6.738 -3.357 -6.765 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.917 -5.799 -5.951 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.558 -5.429 -6.441 1.00 0.56 H new ATOM 1957 N PRO A 118 8.461 -5.048 -3.895 1.00 0.52 N ATOM 1958 CA PRO A 118 9.055 -5.389 -2.591 1.00 0.53 C ATOM 1959 C PRO A 118 8.110 -5.149 -1.411 1.00 0.46 C ATOM 1960 O PRO A 118 7.939 -6.014 -0.554 1.00 0.45 O ATOM 1961 CB PRO A 118 10.257 -4.452 -2.489 1.00 0.54 C ATOM 1962 CG PRO A 118 10.612 -4.130 -3.899 1.00 0.65 C ATOM 1963 CD PRO A 118 9.316 -4.122 -4.662 1.00 0.53 C ATOM 0 HA PRO A 118 9.302 -6.449 -2.541 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.009 -3.551 -1.928 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.088 -4.931 -1.972 1.00 0.54 H new ATOM 0 HG2 PRO A 118 11.109 -3.162 -3.965 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.300 -4.870 -4.307 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.884 -3.122 -4.709 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.453 -4.459 -5.689 1.00 0.53 H new ATOM 1971 N ALA A 119 7.503 -3.978 -1.372 1.00 0.46 N ATOM 1972 CA ALA A 119 6.592 -3.620 -0.293 1.00 0.42 C ATOM 1973 C ALA A 119 5.300 -4.425 -0.362 1.00 0.44 C ATOM 1974 O ALA A 119 4.700 -4.744 0.660 1.00 0.43 O ATOM 1975 CB ALA A 119 6.266 -2.139 -0.354 1.00 0.41 C ATOM 0 H ALA A 119 7.623 -3.252 -2.078 1.00 0.46 H new ATOM 0 HA ALA A 119 7.090 -3.850 0.649 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.584 -1.883 0.457 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.184 -1.560 -0.253 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.795 -1.909 -1.310 1.00 0.41 H new ATOM 1981 N CYS A 120 4.901 -4.784 -1.570 1.00 0.47 N ATOM 1982 CA CYS A 120 3.762 -5.663 -1.784 1.00 0.50 C ATOM 1983 C CYS A 120 3.988 -7.016 -1.112 1.00 0.52 C ATOM 1984 O CYS A 120 3.041 -7.654 -0.659 1.00 0.53 O ATOM 1985 CB CYS A 120 3.542 -5.859 -3.285 1.00 0.56 C ATOM 1986 SG CYS A 120 2.065 -6.835 -3.716 1.00 1.17 S ATOM 0 H CYS A 120 5.356 -4.476 -2.429 1.00 0.47 H new ATOM 0 HA CYS A 120 2.878 -5.203 -1.341 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.465 -4.880 -3.758 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.420 -6.348 -3.706 1.00 0.56 H new ATOM 1991 N LYS A 121 5.247 -7.448 -1.047 1.00 0.54 N ATOM 1992 CA LYS A 121 5.587 -8.718 -0.404 1.00 0.58 C ATOM 1993 C LYS A 121 5.150 -8.728 1.067 1.00 0.59 C ATOM 1994 O LYS A 121 4.548 -9.699 1.524 1.00 0.65 O ATOM 1995 CB LYS A 121 7.091 -8.995 -0.502 1.00 0.63 C ATOM 1996 CG LYS A 121 7.648 -8.924 -1.922 1.00 1.01 C ATOM 1997 CD LYS A 121 7.105 -10.023 -2.828 1.00 1.04 C ATOM 1998 CE LYS A 121 7.593 -11.401 -2.405 1.00 1.37 C ATOM 1999 NZ LYS A 121 7.287 -12.441 -3.426 1.00 1.47 N ATOM 0 H LYS A 121 6.045 -6.941 -1.429 1.00 0.54 H new ATOM 0 HA LYS A 121 5.049 -9.506 -0.931 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.623 -8.277 0.122 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.295 -9.985 -0.093 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.407 -7.952 -2.353 1.00 1.01 H new ATOM 0 HG3 LYS A 121 8.735 -8.995 -1.884 1.00 1.01 H new ATOM 0 HD2 LYS A 121 6.015 -10.003 -2.810 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.411 -9.830 -3.856 1.00 1.04 H new ATOM 0 HE2 LYS A 121 8.669 -11.367 -2.234 1.00 1.37 H new ATOM 0 HE3 LYS A 121 7.128 -11.675 -1.458 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 7.528 -13.380 -3.049 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 6.274 -12.411 -3.659 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 7.845 -12.259 -4.285 1.00 1.47 H new ATOM 2013 N LYS A 122 5.474 -7.663 1.812 1.00 0.54 N ATOM 2014 CA LYS A 122 5.030 -7.562 3.210 1.00 0.55 C ATOM 2015 C LYS A 122 3.510 -7.406 3.250 1.00 0.53 C ATOM 2016 O LYS A 122 2.863 -7.828 4.206 1.00 0.57 O ATOM 2017 CB LYS A 122 5.741 -6.421 3.952 1.00 0.52 C ATOM 2018 CG LYS A 122 5.386 -5.022 3.479 1.00 0.46 C ATOM 2019 CD LYS A 122 6.194 -3.961 4.215 1.00 0.47 C ATOM 2020 CE LYS A 122 7.683 -4.110 3.950 1.00 1.15 C ATOM 2021 NZ LYS A 122 8.488 -3.105 4.691 1.00 1.50 N ATOM 0 H LYS A 122 6.030 -6.875 1.480 1.00 0.54 H new ATOM 0 HA LYS A 122 5.301 -8.480 3.732 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.507 -6.498 5.014 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.818 -6.559 3.852 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.569 -4.942 2.408 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.322 -4.843 3.635 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.865 -2.970 3.902 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.005 -4.036 5.286 1.00 0.47 H new ATOM 0 HE2 LYS A 122 8.003 -5.112 4.236 1.00 1.15 H new ATOM 0 HE3 LYS A 122 7.872 -4.008 2.881 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 9.358 -2.898 4.161 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.935 -2.231 4.803 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 8.735 -3.481 5.629 1.00 1.50 H new ATOM 2035 N ILE A 123 2.949 -6.762 2.237 1.00 0.49 N ATOM 2036 CA ILE A 123 1.518 -6.492 2.209 1.00 0.48 C ATOM 2037 C ILE A 123 0.690 -7.765 2.040 1.00 0.51 C ATOM 2038 O ILE A 123 -0.288 -8.023 2.741 1.00 0.54 O ATOM 2039 CB ILE A 123 1.161 -5.497 1.100 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.794 -4.143 1.408 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.349 -5.372 0.977 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.575 -3.123 0.325 1.00 0.44 C ATOM 0 H ILE A 123 3.461 -6.417 1.425 1.00 0.49 H new ATOM 0 HA ILE A 123 1.272 -6.054 3.176 1.00 0.48 H new ATOM 0 HB ILE A 123 1.550 -5.858 0.148 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.384 -3.763 2.344 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.865 -4.277 1.560 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.592 -4.662 0.186 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.776 -6.345 0.735 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.763 -5.019 1.921 1.00 0.47 H new ATOM 0 HD11 ILE A 123 2.051 -2.184 0.608 1.00 0.44 H new ATOM 0 HD12 ILE A 123 2.010 -3.483 -0.607 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.506 -2.961 0.188 1.00 0.44 H new ATOM 2054 N TYR A 124 1.163 -8.561 1.091 1.00 0.52 N ATOM 2055 CA TYR A 124 0.701 -9.919 0.815 1.00 0.58 C ATOM 2056 C TYR A 124 1.232 -10.895 1.863 1.00 0.64 C ATOM 2057 O TYR A 124 1.139 -12.099 1.661 1.00 0.82 O ATOM 2058 CB TYR A 124 1.146 -10.369 -0.579 1.00 0.59 C ATOM 2059 CG TYR A 124 0.285 -9.845 -1.709 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.189 -8.537 -1.688 1.00 1.14 C ATOM 2061 CD2 TYR A 124 -0.063 -10.648 -2.786 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -0.980 -8.049 -2.709 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -0.853 -10.167 -3.808 1.00 1.05 C ATOM 2064 CZ TYR A 124 -1.282 -8.893 -3.799 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.101 -8.389 -4.780 1.00 1.17 O ATOM 0 H TYR A 124 1.912 -8.267 0.464 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.388 -9.915 0.855 1.00 0.58 H new ATOM 0 HB2 TYR A 124 2.174 -10.045 -0.741 1.00 0.59 H new ATOM 0 HB3 TYR A 124 1.146 -11.458 -0.613 1.00 0.59 H new ATOM 0 HD1 TYR A 124 0.066 -7.893 -0.859 1.00 1.14 H new ATOM 0 HD2 TYR A 124 0.291 -11.668 -2.824 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -1.361 -7.039 -2.674 1.00 1.28 H new ATOM 0 HE2 TYR A 124 -1.130 -10.819 -4.623 1.00 1.05 H new ATOM 0 HH TYR A 124 -1.576 -7.827 -5.388 1.00 1.17 H new ATOM 2075 N GLY A 125 1.576 -10.344 3.030 1.00 0.73 N ATOM 2076 CA GLY A 125 2.675 -10.750 3.940 1.00 0.86 C ATOM 2077 C GLY A 125 3.301 -12.135 3.790 1.00 0.71 C ATOM 2078 O GLY A 125 3.752 -12.725 4.773 1.00 0.78 O ATOM 0 H GLY A 125 1.063 -9.544 3.400 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.475 -10.017 3.834 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.301 -10.669 4.961 1.00 0.86 H new ATOM 2082 N VAL A 126 3.308 -12.654 2.580 1.00 0.71 N ATOM 2083 CA VAL A 126 4.078 -13.839 2.217 1.00 0.84 C ATOM 2084 C VAL A 126 5.564 -13.642 2.525 1.00 0.99 C ATOM 2085 O VAL A 126 6.330 -14.605 2.570 1.00 1.53 O ATOM 2086 CB VAL A 126 3.925 -14.154 0.714 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.498 -14.551 0.385 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.349 -12.960 -0.132 1.00 0.98 C ATOM 0 H VAL A 126 2.773 -12.263 1.805 1.00 0.71 H new ATOM 0 HA VAL A 126 3.690 -14.669 2.807 1.00 0.84 H new ATOM 0 HB VAL A 126 4.577 -14.995 0.480 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.417 -14.768 -0.680 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.226 -15.438 0.957 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.825 -13.733 0.641 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.233 -13.203 -1.188 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.725 -12.101 0.113 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.392 -12.721 0.073 1.00 0.98 H new ATOM 2098 N HIS A 127 5.957 -12.379 2.709 1.00 1.01 N ATOM 2099 CA HIS A 127 7.325 -12.023 3.070 1.00 1.16 C ATOM 2100 C HIS A 127 7.758 -12.783 4.319 1.00 1.46 C ATOM 2101 O HIS A 127 8.902 -13.223 4.427 1.00 2.24 O ATOM 2102 CB HIS A 127 7.424 -10.510 3.296 1.00 1.47 C ATOM 2103 CG HIS A 127 8.791 -10.025 3.664 1.00 1.86 C ATOM 2104 ND1 HIS A 127 9.117 -9.582 4.927 1.00 2.31 N ATOM 2105 CD2 HIS A 127 9.915 -9.896 2.923 1.00 2.47 C ATOM 2106 CE1 HIS A 127 10.380 -9.203 4.949 1.00 2.66 C ATOM 2107 NE2 HIS A 127 10.885 -9.383 3.744 1.00 2.77 N ATOM 0 H HIS A 127 5.334 -11.577 2.611 1.00 1.01 H new ATOM 0 HA HIS A 127 7.993 -12.300 2.255 1.00 1.16 H new ATOM 0 HB2 HIS A 127 7.103 -9.998 2.389 1.00 1.47 H new ATOM 0 HB3 HIS A 127 6.727 -10.227 4.085 1.00 1.47 H new ATOM 0 HD2 HIS A 127 10.027 -10.150 1.879 1.00 2.47 H new ATOM 0 HE1 HIS A 127 10.909 -8.813 5.806 1.00 2.66 H new ATOM 0 HE2 HIS A 127 11.844 -9.174 3.467 1.00 2.77 H new ATOM 2116 N THR A 128 6.834 -12.931 5.258 1.00 1.60 N ATOM 2117 CA THR A 128 7.058 -13.774 6.415 1.00 2.21 C ATOM 2118 C THR A 128 6.753 -15.222 6.045 1.00 2.87 C ATOM 2119 O THR A 128 5.619 -15.688 6.174 1.00 3.63 O ATOM 2120 CB THR A 128 6.180 -13.331 7.604 1.00 2.81 C ATOM 2121 OG1 THR A 128 6.373 -11.930 7.842 1.00 3.28 O ATOM 2122 CG2 THR A 128 6.523 -14.114 8.864 1.00 3.47 C ATOM 0 H THR A 128 5.922 -12.476 5.237 1.00 1.60 H new ATOM 0 HA THR A 128 8.100 -13.683 6.720 1.00 2.21 H new ATOM 0 HB THR A 128 5.138 -13.528 7.354 1.00 2.81 H new ATOM 0 HG1 THR A 128 5.815 -11.646 8.596 1.00 3.28 H new ATOM 0 HG21 THR A 128 5.888 -13.780 9.684 1.00 3.47 H new ATOM 0 HG22 THR A 128 6.358 -15.177 8.688 1.00 3.47 H new ATOM 0 HG23 THR A 128 7.568 -13.947 9.123 1.00 3.47 H new ATOM 2130 N SER A 129 7.766 -15.915 5.553 1.00 3.24 N ATOM 2131 CA SER A 129 7.599 -17.265 5.055 1.00 4.34 C ATOM 2132 C SER A 129 7.839 -18.283 6.169 1.00 4.97 C ATOM 2133 O SER A 129 8.957 -18.829 6.253 1.00 5.24 O ATOM 2134 CB SER A 129 8.567 -17.492 3.891 1.00 5.03 C ATOM 2135 OG SER A 129 8.492 -16.425 2.955 1.00 5.11 O ATOM 2136 OXT SER A 129 6.907 -18.520 6.972 1.00 5.56 O ATOM 0 H SER A 129 8.720 -15.559 5.489 1.00 3.24 H new ATOM 0 HA SER A 129 6.576 -17.398 4.702 1.00 4.34 H new ATOM 0 HB2 SER A 129 9.585 -17.577 4.271 1.00 5.03 H new ATOM 0 HB3 SER A 129 8.332 -18.434 3.395 1.00 5.03 H new ATOM 0 HG SER A 129 7.623 -15.979 3.036 1.00 5.11 H new TER 2142 SER A 129