USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 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 17 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 1.08 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= -0.0353 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -150:sc= -0.826 (180deg=-1.83!) USER MOD Set 3.1: A 38 THR OG1 : rot -100:sc= 1.03 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 25 SER OG : rot -110:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.3!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -70:sc= -0.063 USER MOD Single : A 5 MET CE :methyl -174:sc= -7.02! (180deg=-7.2!) USER MOD Single : A 6 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.66) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.134) USER MOD Single : A 11 THR OG1 : rot -97:sc= 0.0602 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0622 (180deg=-0.284) USER MOD Single : A 18 ASN : amide:sc= -2.41! C(o=-2.4!,f=-3.2!) USER MOD Single : A 21 MET CE :methyl -166:sc= -1.39 (180deg=-2.37) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00282) USER MOD Single : A 29 HIS : no HD1:sc= 0.268 K(o=0.27,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -91:sc= 1.15 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 165:sc= -0.627 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.331 -10.922 -12.367 1.00 5.27 N ATOM 2 CA SER A 1 8.293 -11.135 -11.326 1.00 4.57 C ATOM 3 C SER A 1 7.947 -9.824 -10.627 1.00 3.87 C ATOM 4 O SER A 1 8.807 -9.186 -10.021 1.00 4.07 O ATOM 5 CB SER A 1 8.779 -12.157 -10.297 1.00 4.91 C ATOM 6 OG SER A 1 7.819 -12.345 -9.272 1.00 5.15 O ATOM 0 H1 SER A 1 9.550 -11.828 -12.829 1.00 5.27 H new ATOM 0 H2 SER A 1 8.978 -10.248 -13.076 1.00 5.27 H new ATOM 0 H3 SER A 1 10.192 -10.541 -11.926 1.00 5.27 H new ATOM 0 HA SER A 1 7.396 -11.515 -11.815 1.00 4.57 H new ATOM 0 HB2 SER A 1 8.979 -13.108 -10.791 1.00 4.91 H new ATOM 0 HB3 SER A 1 9.720 -11.820 -9.861 1.00 4.91 H new ATOM 0 HG SER A 1 8.153 -13.004 -8.628 1.00 5.15 H new ATOM 14 N ASN A 2 6.680 -9.428 -10.718 1.00 3.40 N ATOM 15 CA ASN A 2 6.216 -8.193 -10.095 1.00 2.96 C ATOM 16 C ASN A 2 5.917 -8.412 -8.617 1.00 2.16 C ATOM 17 O ASN A 2 5.999 -9.534 -8.116 1.00 2.43 O ATOM 18 CB ASN A 2 4.960 -7.680 -10.804 1.00 3.50 C ATOM 19 CG ASN A 2 3.770 -8.600 -10.611 1.00 3.39 C ATOM 20 OD1 ASN A 2 3.921 -9.819 -10.515 1.00 3.86 O ATOM 21 ND2 ASN A 2 2.576 -8.020 -10.549 1.00 3.25 N ATOM 0 H ASN A 2 5.957 -9.945 -11.218 1.00 3.40 H new ATOM 0 HA ASN A 2 7.008 -7.450 -10.186 1.00 2.96 H new ATOM 0 HB2 ASN A 2 4.713 -6.687 -10.427 1.00 3.50 H new ATOM 0 HB3 ASN A 2 5.165 -7.574 -11.869 1.00 3.50 H new ATOM 0 HD21 ASN A 2 1.739 -8.588 -10.417 1.00 3.25 H new ATOM 0 HD22 ASN A 2 2.496 -7.007 -10.633 1.00 3.25 H new ATOM 28 N SER A 3 5.570 -7.332 -7.923 1.00 1.75 N ATOM 29 CA SER A 3 5.247 -7.407 -6.504 1.00 1.09 C ATOM 30 C SER A 3 3.837 -7.952 -6.311 1.00 0.88 C ATOM 31 O SER A 3 3.358 -8.069 -5.184 1.00 1.68 O ATOM 32 CB SER A 3 5.375 -6.028 -5.852 1.00 1.05 C ATOM 33 OG SER A 3 6.665 -5.481 -6.064 1.00 1.79 O ATOM 0 H SER A 3 5.506 -6.395 -8.321 1.00 1.75 H new ATOM 0 HA SER A 3 5.953 -8.085 -6.024 1.00 1.09 H new ATOM 0 HB2 SER A 3 4.620 -5.357 -6.262 1.00 1.05 H new ATOM 0 HB3 SER A 3 5.182 -6.109 -4.782 1.00 1.05 H new ATOM 0 HG SER A 3 6.720 -4.600 -5.639 1.00 1.79 H new ATOM 39 N SER A 4 3.190 -8.278 -7.433 1.00 0.65 N ATOM 40 CA SER A 4 1.830 -8.825 -7.449 1.00 0.69 C ATOM 41 C SER A 4 0.780 -7.752 -7.168 1.00 0.84 C ATOM 42 O SER A 4 -0.200 -7.642 -7.903 1.00 1.84 O ATOM 43 CB SER A 4 1.682 -9.983 -6.457 1.00 1.16 C ATOM 44 OG SER A 4 1.334 -9.514 -5.169 1.00 1.99 O ATOM 0 H SER A 4 3.597 -8.169 -8.362 1.00 0.65 H new ATOM 0 HA SER A 4 1.658 -9.207 -8.455 1.00 0.69 H new ATOM 0 HB2 SER A 4 0.919 -10.675 -6.813 1.00 1.16 H new ATOM 0 HB3 SER A 4 2.617 -10.541 -6.403 1.00 1.16 H new ATOM 0 HG SER A 4 2.099 -9.046 -4.773 1.00 1.99 H new ATOM 50 N MET A 5 0.987 -6.966 -6.107 1.00 0.47 N ATOM 51 CA MET A 5 0.051 -5.902 -5.735 1.00 0.38 C ATOM 52 C MET A 5 -1.292 -6.490 -5.298 1.00 0.54 C ATOM 53 O MET A 5 -1.611 -6.510 -4.109 1.00 1.22 O ATOM 54 CB MET A 5 -0.135 -4.935 -6.899 1.00 0.40 C ATOM 55 CG MET A 5 1.145 -4.203 -7.250 1.00 0.34 C ATOM 56 SD MET A 5 1.006 -2.428 -7.037 1.00 0.56 S ATOM 57 CE MET A 5 2.600 -2.073 -6.304 1.00 0.37 C ATOM 0 H MET A 5 1.795 -7.047 -5.490 1.00 0.47 H new ATOM 0 HA MET A 5 0.468 -5.352 -4.891 1.00 0.38 H new ATOM 0 HB2 MET A 5 -0.488 -5.484 -7.772 1.00 0.40 H new ATOM 0 HB3 MET A 5 -0.908 -4.209 -6.646 1.00 0.40 H new ATOM 0 HG2 MET A 5 1.956 -4.578 -6.626 1.00 0.34 H new ATOM 0 HG3 MET A 5 1.412 -4.421 -8.284 1.00 0.34 H new ATOM 0 HE1 MET A 5 2.639 -1.025 -6.009 1.00 0.37 H new ATOM 0 HE2 MET A 5 2.745 -2.703 -5.426 1.00 0.37 H new ATOM 0 HE3 MET A 5 3.387 -2.275 -7.030 1.00 0.37 H new ATOM 67 N ASN A 6 -2.075 -6.949 -6.273 1.00 0.27 N ATOM 68 CA ASN A 6 -3.373 -7.575 -6.017 1.00 0.24 C ATOM 69 C ASN A 6 -4.429 -6.565 -5.574 1.00 0.24 C ATOM 70 O ASN A 6 -4.588 -6.303 -4.384 1.00 0.25 O ATOM 71 CB ASN A 6 -3.237 -8.678 -4.968 1.00 0.28 C ATOM 72 CG ASN A 6 -3.898 -9.973 -5.395 1.00 0.92 C ATOM 73 OD1 ASN A 6 -4.528 -10.658 -4.590 1.00 1.72 O ATOM 74 ND2 ASN A 6 -3.742 -10.322 -6.668 1.00 0.87 N ATOM 0 H ASN A 6 -1.829 -6.898 -7.262 1.00 0.27 H new ATOM 0 HA ASN A 6 -3.707 -8.007 -6.960 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -2.180 -8.861 -4.773 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -3.680 -8.340 -4.031 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -4.153 -11.189 -7.013 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -3.211 -9.722 -7.300 1.00 0.87 H new ATOM 81 N PRO A 7 -5.178 -5.999 -6.538 1.00 0.25 N ATOM 82 CA PRO A 7 -6.243 -5.027 -6.260 1.00 0.26 C ATOM 83 C PRO A 7 -7.317 -5.606 -5.347 1.00 0.26 C ATOM 84 O PRO A 7 -8.236 -4.903 -4.937 1.00 0.26 O ATOM 85 CB PRO A 7 -6.822 -4.707 -7.645 1.00 0.28 C ATOM 86 CG PRO A 7 -6.353 -5.805 -8.538 1.00 0.43 C ATOM 87 CD PRO A 7 -5.043 -6.271 -7.974 1.00 0.29 C ATOM 0 HA PRO A 7 -5.866 -4.147 -5.740 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -7.911 -4.664 -7.615 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -6.475 -3.737 -8.001 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -7.077 -6.620 -8.567 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -6.232 -5.450 -9.561 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -4.875 -7.330 -8.169 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.203 -5.730 -8.409 1.00 0.29 H new ATOM 95 N LYS A 8 -7.217 -6.898 -5.050 1.00 0.30 N ATOM 96 CA LYS A 8 -8.171 -7.538 -4.154 1.00 0.33 C ATOM 97 C LYS A 8 -7.809 -7.209 -2.714 1.00 0.27 C ATOM 98 O LYS A 8 -8.645 -6.761 -1.930 1.00 0.26 O ATOM 99 CB LYS A 8 -8.186 -9.057 -4.348 1.00 0.43 C ATOM 100 CG LYS A 8 -8.418 -9.490 -5.784 1.00 0.77 C ATOM 101 CD LYS A 8 -7.108 -9.629 -6.539 1.00 0.59 C ATOM 102 CE LYS A 8 -7.235 -9.110 -7.959 1.00 0.73 C ATOM 103 NZ LYS A 8 -8.347 -9.772 -8.695 1.00 1.39 N ATOM 0 H LYS A 8 -6.492 -7.517 -5.413 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.166 -7.159 -4.385 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.237 -9.467 -4.004 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -8.965 -9.486 -3.719 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -8.950 -10.441 -5.797 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.054 -8.762 -6.287 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -6.324 -9.080 -6.017 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -6.805 -10.676 -6.557 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -7.404 -8.033 -7.938 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -6.298 -9.276 -8.491 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -8.276 -9.546 -9.708 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -8.285 -10.802 -8.565 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -9.258 -9.431 -8.327 1.00 1.39 H new ATOM 117 N SER A 9 -6.544 -7.442 -2.384 1.00 0.26 N ATOM 118 CA SER A 9 -6.030 -7.174 -1.051 1.00 0.26 C ATOM 119 C SER A 9 -5.791 -5.682 -0.854 1.00 0.19 C ATOM 120 O SER A 9 -5.957 -5.155 0.247 1.00 0.23 O ATOM 121 CB SER A 9 -4.730 -7.951 -0.831 1.00 0.33 C ATOM 122 OG SER A 9 -4.988 -9.329 -0.623 1.00 0.71 O ATOM 0 H SER A 9 -5.851 -7.820 -3.030 1.00 0.26 H new ATOM 0 HA SER A 9 -6.770 -7.500 -0.320 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.078 -7.826 -1.695 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.200 -7.543 0.030 1.00 0.33 H new ATOM 0 HG SER A 9 -4.141 -9.803 -0.487 1.00 0.71 H new ATOM 128 N LEU A 10 -5.402 -5.007 -1.930 1.00 0.15 N ATOM 129 CA LEU A 10 -5.140 -3.575 -1.884 1.00 0.20 C ATOM 130 C LEU A 10 -6.404 -2.797 -1.548 1.00 0.19 C ATOM 131 O LEU A 10 -6.351 -1.599 -1.280 1.00 0.27 O ATOM 132 CB LEU A 10 -4.593 -3.086 -3.225 1.00 0.24 C ATOM 133 CG LEU A 10 -3.301 -3.748 -3.687 1.00 0.27 C ATOM 134 CD1 LEU A 10 -3.109 -3.558 -5.183 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.126 -3.170 -2.925 1.00 0.50 C ATOM 0 H LEU A 10 -5.261 -5.431 -2.847 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.399 -3.402 -1.103 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.355 -3.245 -3.988 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.427 -2.011 -3.159 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.362 -4.817 -3.485 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -2.181 -4.038 -5.495 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.946 -4.007 -5.717 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -3.062 -2.493 -5.411 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.205 -3.647 -3.260 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -2.066 -2.097 -3.108 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.261 -3.349 -1.858 1.00 0.50 H new ATOM 147 N THR A 11 -7.546 -3.472 -1.569 1.00 0.14 N ATOM 148 CA THR A 11 -8.808 -2.803 -1.278 1.00 0.18 C ATOM 149 C THR A 11 -9.601 -3.539 -0.206 1.00 0.15 C ATOM 150 O THR A 11 -10.810 -3.346 -0.075 1.00 0.18 O ATOM 151 CB THR A 11 -9.664 -2.670 -2.549 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.371 -3.894 -2.792 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.793 -2.342 -3.754 1.00 0.35 C ATOM 0 H THR A 11 -7.626 -4.467 -1.781 1.00 0.14 H new ATOM 0 HA THR A 11 -8.562 -1.809 -0.904 1.00 0.18 H new ATOM 0 HB THR A 11 -10.376 -1.859 -2.398 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.881 -4.430 -3.450 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.419 -2.252 -4.642 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.272 -1.400 -3.581 1.00 0.35 H new ATOM 0 HG23 THR A 11 -8.064 -3.138 -3.903 1.00 0.35 H new ATOM 161 N ASP A 12 -8.917 -4.382 0.558 1.00 0.11 N ATOM 162 CA ASP A 12 -9.560 -5.133 1.621 1.00 0.12 C ATOM 163 C ASP A 12 -9.089 -4.594 2.965 1.00 0.11 C ATOM 164 O ASP A 12 -7.927 -4.767 3.327 1.00 0.10 O ATOM 165 CB ASP A 12 -9.235 -6.622 1.496 1.00 0.14 C ATOM 166 CG ASP A 12 -10.061 -7.478 2.436 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.304 -7.407 2.364 1.00 0.57 O ATOM 168 OD2 ASP A 12 -9.463 -8.219 3.244 1.00 0.51 O ATOM 0 H ASP A 12 -7.918 -4.560 0.459 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.641 -5.018 1.544 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.409 -6.944 0.469 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.176 -6.778 1.703 1.00 0.14 H new ATOM 173 N PRO A 13 -9.981 -3.929 3.725 1.00 0.11 N ATOM 174 CA PRO A 13 -9.634 -3.337 5.017 1.00 0.11 C ATOM 175 C PRO A 13 -8.790 -4.246 5.904 1.00 0.12 C ATOM 176 O PRO A 13 -8.127 -3.770 6.824 1.00 0.13 O ATOM 177 CB PRO A 13 -10.995 -3.082 5.651 1.00 0.12 C ATOM 178 CG PRO A 13 -11.867 -2.769 4.491 1.00 0.12 C ATOM 179 CD PRO A 13 -11.398 -3.679 3.384 1.00 0.11 C ATOM 0 HA PRO A 13 -9.017 -2.447 4.894 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.353 -3.955 6.198 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.958 -2.255 6.360 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.916 -2.946 4.728 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.778 -1.721 4.203 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.973 -4.604 3.353 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.499 -3.208 2.406 1.00 0.11 H new ATOM 187 N LYS A 14 -8.819 -5.546 5.643 1.00 0.13 N ATOM 188 CA LYS A 14 -8.028 -6.482 6.434 1.00 0.15 C ATOM 189 C LYS A 14 -6.552 -6.126 6.307 1.00 0.13 C ATOM 190 O LYS A 14 -5.842 -5.986 7.303 1.00 0.16 O ATOM 191 CB LYS A 14 -8.269 -7.922 5.972 1.00 0.18 C ATOM 192 CG LYS A 14 -8.120 -8.956 7.082 1.00 0.34 C ATOM 193 CD LYS A 14 -6.732 -8.929 7.710 1.00 0.60 C ATOM 194 CE LYS A 14 -5.654 -9.265 6.695 1.00 0.54 C ATOM 195 NZ LYS A 14 -5.870 -10.602 6.075 1.00 1.37 N ATOM 0 H LYS A 14 -9.373 -5.973 4.901 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.331 -6.409 7.478 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.272 -7.996 5.551 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.569 -8.159 5.171 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -8.869 -8.771 7.852 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.316 -9.950 6.679 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.541 -7.942 8.131 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.691 -9.641 8.535 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.639 -8.502 5.916 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.679 -9.244 7.181 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.012 -10.889 5.562 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.079 -11.299 6.818 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.670 -10.552 5.412 1.00 1.37 H new ATOM 209 N LEU A 15 -6.107 -5.977 5.066 1.00 0.09 N ATOM 210 CA LEU A 15 -4.728 -5.620 4.775 1.00 0.08 C ATOM 211 C LEU A 15 -4.489 -4.145 5.042 1.00 0.08 C ATOM 212 O LEU A 15 -3.523 -3.764 5.693 1.00 0.09 O ATOM 213 CB LEU A 15 -4.411 -5.903 3.303 1.00 0.08 C ATOM 214 CG LEU A 15 -4.363 -7.375 2.896 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.368 -8.118 3.763 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.742 -8.010 2.984 1.00 0.12 C ATOM 0 H LEU A 15 -6.690 -6.100 4.238 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.084 -6.217 5.420 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.159 -5.402 2.689 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.448 -5.450 3.066 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.037 -7.439 1.858 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.339 -9.167 3.467 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.378 -7.679 3.639 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.669 -8.044 4.808 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.680 -9.057 2.689 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.109 -7.943 4.008 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.427 -7.486 2.318 1.00 0.12 H new ATOM 228 N LEU A 16 -5.386 -3.326 4.522 1.00 0.10 N ATOM 229 CA LEU A 16 -5.292 -1.883 4.663 1.00 0.12 C ATOM 230 C LEU A 16 -5.076 -1.477 6.120 1.00 0.16 C ATOM 231 O LEU A 16 -4.200 -0.663 6.418 1.00 0.27 O ATOM 232 CB LEU A 16 -6.555 -1.241 4.092 1.00 0.10 C ATOM 233 CG LEU A 16 -7.023 -1.842 2.764 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.433 -1.388 2.429 1.00 0.10 C ATOM 235 CD2 LEU A 16 -6.058 -1.478 1.644 1.00 0.18 C ATOM 0 H LEU A 16 -6.198 -3.641 3.991 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.425 -1.528 4.105 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.358 -1.335 4.823 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.375 -0.175 3.951 1.00 0.10 H new ATOM 0 HG LEU A 16 -7.036 -2.927 2.867 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.742 -1.829 1.481 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.115 -1.708 3.217 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.456 -0.301 2.348 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.406 -1.914 0.708 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -6.009 -0.394 1.544 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -5.066 -1.866 1.878 1.00 0.18 H new ATOM 247 N LYS A 17 -5.871 -2.040 7.024 1.00 0.14 N ATOM 248 CA LYS A 17 -5.735 -1.740 8.446 1.00 0.17 C ATOM 249 C LYS A 17 -4.444 -2.341 8.986 1.00 0.18 C ATOM 250 O LYS A 17 -3.875 -1.854 9.965 1.00 0.22 O ATOM 251 CB LYS A 17 -6.928 -2.287 9.228 1.00 0.19 C ATOM 252 CG LYS A 17 -8.244 -1.619 8.881 1.00 0.20 C ATOM 253 CD LYS A 17 -9.406 -2.316 9.566 1.00 0.24 C ATOM 254 CE LYS A 17 -10.676 -1.494 9.471 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.792 -2.113 10.237 1.00 0.88 N ATOM 0 H LYS A 17 -6.613 -2.703 6.800 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.705 -0.657 8.568 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.014 -3.357 9.040 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.739 -2.164 10.294 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.215 -0.572 9.182 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.391 -1.636 7.801 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.567 -3.292 9.109 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.161 -2.491 10.614 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.488 -0.489 9.850 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.966 -1.391 8.425 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.692 -1.930 9.748 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.638 -3.139 10.307 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.827 -1.703 11.192 1.00 0.88 H new ATOM 269 N ASN A 18 -3.991 -3.405 8.333 1.00 0.14 N ATOM 270 CA ASN A 18 -2.766 -4.091 8.716 1.00 0.15 C ATOM 271 C ASN A 18 -1.725 -3.901 7.626 1.00 0.13 C ATOM 272 O ASN A 18 -1.357 -4.853 6.946 1.00 0.11 O ATOM 273 CB ASN A 18 -3.040 -5.586 8.915 1.00 0.16 C ATOM 274 CG ASN A 18 -2.122 -6.217 9.944 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.550 -5.530 10.789 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.989 -7.538 9.883 1.00 0.53 N ATOM 0 H ASN A 18 -4.462 -3.814 7.526 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.397 -3.674 9.653 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.076 -5.723 9.225 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.921 -6.103 7.963 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.393 -8.022 10.555 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.483 -8.068 9.165 1.00 0.53 H new ATOM 283 N ILE A 19 -1.268 -2.660 7.457 1.00 0.13 N ATOM 284 CA ILE A 19 -0.286 -2.334 6.428 1.00 0.12 C ATOM 285 C ILE A 19 0.773 -3.428 6.274 1.00 0.10 C ATOM 286 O ILE A 19 1.043 -3.858 5.156 1.00 0.09 O ATOM 287 CB ILE A 19 0.394 -0.973 6.685 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.585 0.176 6.410 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.642 -0.823 5.821 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.071 0.239 4.971 1.00 0.49 C ATOM 0 H ILE A 19 -1.564 -1.864 8.022 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.843 -2.266 5.494 1.00 0.12 H new ATOM 0 HB ILE A 19 0.693 -0.933 7.732 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.446 0.072 7.070 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.102 1.120 6.662 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.106 0.143 6.017 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.347 -1.620 6.059 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.366 -0.885 4.768 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.759 1.077 4.856 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.219 0.375 4.305 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.584 -0.689 4.719 1.00 0.49 H new ATOM 302 N PRO A 20 1.415 -3.881 7.372 1.00 0.12 N ATOM 303 CA PRO A 20 2.411 -4.950 7.290 1.00 0.12 C ATOM 304 C PRO A 20 1.895 -6.109 6.452 1.00 0.11 C ATOM 305 O PRO A 20 2.588 -6.635 5.581 1.00 0.14 O ATOM 306 CB PRO A 20 2.567 -5.384 8.743 1.00 0.14 C ATOM 307 CG PRO A 20 2.299 -4.146 9.523 1.00 0.15 C ATOM 308 CD PRO A 20 1.243 -3.394 8.757 1.00 0.14 C ATOM 0 HA PRO A 20 3.343 -4.629 6.825 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.864 -6.177 9.000 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.568 -5.769 8.939 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.955 -4.385 10.529 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.204 -3.548 9.629 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.243 -3.606 9.137 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.388 -2.316 8.825 1.00 0.14 H new ATOM 316 N MET A 21 0.657 -6.490 6.738 1.00 0.10 N ATOM 317 CA MET A 21 -0.019 -7.563 6.031 1.00 0.10 C ATOM 318 C MET A 21 -0.310 -7.126 4.597 1.00 0.08 C ATOM 319 O MET A 21 -0.137 -7.893 3.651 1.00 0.10 O ATOM 320 CB MET A 21 -1.308 -7.901 6.777 1.00 0.13 C ATOM 321 CG MET A 21 -1.820 -9.314 6.550 1.00 0.25 C ATOM 322 SD MET A 21 -1.239 -10.484 7.798 1.00 0.94 S ATOM 323 CE MET A 21 0.522 -10.503 7.478 1.00 0.54 C ATOM 0 H MET A 21 0.093 -6.060 7.471 1.00 0.10 H new ATOM 0 HA MET A 21 0.610 -8.452 5.991 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.143 -7.756 7.845 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.082 -7.196 6.475 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.910 -9.304 6.549 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.503 -9.655 5.564 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.976 -11.351 7.991 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.696 -10.593 6.406 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.968 -9.577 7.842 1.00 0.54 H new ATOM 333 N TRP A 22 -0.774 -5.886 4.459 1.00 0.06 N ATOM 334 CA TRP A 22 -1.051 -5.296 3.160 1.00 0.06 C ATOM 335 C TRP A 22 0.167 -5.438 2.262 1.00 0.06 C ATOM 336 O TRP A 22 0.045 -5.667 1.061 1.00 0.08 O ATOM 337 CB TRP A 22 -1.406 -3.821 3.359 1.00 0.07 C ATOM 338 CG TRP A 22 -1.791 -3.094 2.109 1.00 0.08 C ATOM 339 CD1 TRP A 22 -3.001 -3.128 1.476 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.964 -2.206 1.349 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.976 -2.312 0.372 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.737 -1.740 0.269 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.355 -1.760 1.477 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.237 -0.854 -0.679 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.851 -0.879 0.531 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.056 -0.435 -0.533 1.00 0.11 C ATOM 0 H TRP A 22 -0.967 -5.266 5.246 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.887 -5.807 2.683 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.229 -3.753 4.070 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.553 -3.314 3.809 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.852 -3.711 1.797 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.755 -2.157 -0.268 1.00 0.10 H new ATOM 0 HE3 TRP A 22 0.974 -2.096 2.296 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.848 -0.510 -1.500 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.869 -0.528 0.615 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.473 0.253 -1.253 1.00 0.11 H new ATOM 357 N LEU A 23 1.338 -5.306 2.870 1.00 0.06 N ATOM 358 CA LEU A 23 2.597 -5.438 2.164 1.00 0.08 C ATOM 359 C LEU A 23 2.879 -6.902 1.858 1.00 0.10 C ATOM 360 O LEU A 23 3.505 -7.225 0.852 1.00 0.13 O ATOM 361 CB LEU A 23 3.724 -4.852 3.006 1.00 0.09 C ATOM 362 CG LEU A 23 3.736 -3.327 3.103 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.777 -2.869 4.107 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.000 -2.706 1.740 1.00 0.10 C ATOM 0 H LEU A 23 1.438 -5.105 3.865 1.00 0.06 H new ATOM 0 HA LEU A 23 2.534 -4.892 1.223 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.656 -5.264 4.013 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.676 -5.182 2.590 1.00 0.09 H new ATOM 0 HG LEU A 23 2.756 -2.996 3.446 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.773 -1.781 4.164 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.545 -3.285 5.087 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.762 -3.212 3.792 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.005 -1.620 1.830 1.00 0.10 H new ATOM 0 HD22 LEU A 23 4.967 -3.043 1.368 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.218 -3.009 1.044 1.00 0.10 H new ATOM 376 N LYS A 24 2.424 -7.785 2.747 1.00 0.10 N ATOM 377 CA LYS A 24 2.607 -9.213 2.565 1.00 0.13 C ATOM 378 C LYS A 24 2.034 -9.640 1.221 1.00 0.13 C ATOM 379 O LYS A 24 2.567 -10.528 0.555 1.00 0.16 O ATOM 380 CB LYS A 24 1.921 -9.980 3.698 1.00 0.17 C ATOM 381 CG LYS A 24 2.787 -11.048 4.332 1.00 0.51 C ATOM 382 CD LYS A 24 2.947 -12.248 3.421 1.00 1.24 C ATOM 383 CE LYS A 24 4.179 -12.120 2.542 1.00 2.30 C ATOM 384 NZ LYS A 24 4.193 -13.133 1.451 1.00 3.29 N ATOM 0 H LYS A 24 1.926 -7.529 3.600 1.00 0.10 H new ATOM 0 HA LYS A 24 3.673 -9.440 2.584 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.613 -9.272 4.468 1.00 0.17 H new ATOM 0 HB3 LYS A 24 1.014 -10.445 3.311 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.768 -10.632 4.563 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.344 -11.364 5.276 1.00 0.51 H new ATOM 0 HD2 LYS A 24 3.020 -13.155 4.022 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.061 -12.351 2.795 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.213 -11.120 2.109 1.00 2.30 H new ATOM 0 HE3 LYS A 24 5.074 -12.233 3.154 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 5.058 -13.022 0.885 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.169 -14.088 1.863 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.361 -12.998 0.841 1.00 3.29 H new ATOM 398 N SER A 25 0.938 -8.995 0.829 1.00 0.13 N ATOM 399 CA SER A 25 0.295 -9.289 -0.442 1.00 0.15 C ATOM 400 C SER A 25 1.134 -8.740 -1.590 1.00 0.14 C ATOM 401 O SER A 25 1.028 -9.201 -2.723 1.00 0.20 O ATOM 402 CB SER A 25 -1.115 -8.691 -0.483 1.00 0.20 C ATOM 403 OG SER A 25 -1.777 -9.031 -1.689 1.00 0.96 O ATOM 0 H SER A 25 0.479 -8.266 1.375 1.00 0.13 H new ATOM 0 HA SER A 25 0.213 -10.371 -0.549 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.692 -9.054 0.367 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.057 -7.607 -0.389 1.00 0.20 H new ATOM 0 HG SER A 25 -1.871 -8.231 -2.247 1.00 0.96 H new ATOM 409 N LEU A 26 1.970 -7.752 -1.279 1.00 0.12 N ATOM 410 CA LEU A 26 2.841 -7.137 -2.276 1.00 0.13 C ATOM 411 C LEU A 26 4.279 -7.618 -2.101 1.00 0.16 C ATOM 412 O LEU A 26 5.192 -7.131 -2.769 1.00 0.28 O ATOM 413 CB LEU A 26 2.795 -5.608 -2.172 1.00 0.14 C ATOM 414 CG LEU A 26 1.626 -5.034 -1.368 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.749 -3.522 -1.241 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.297 -5.414 -1.995 1.00 0.66 C ATOM 0 H LEU A 26 2.062 -7.360 -0.342 1.00 0.12 H new ATOM 0 HA LEU A 26 2.482 -7.434 -3.261 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.726 -5.264 -1.721 1.00 0.14 H new ATOM 0 HB3 LEU A 26 2.757 -5.194 -3.180 1.00 0.14 H new ATOM 0 HG LEU A 26 1.662 -5.465 -0.367 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.908 -3.136 -0.666 1.00 0.38 H new ATOM 0 HD12 LEU A 26 2.681 -3.274 -0.732 1.00 0.38 H new ATOM 0 HD13 LEU A 26 1.747 -3.072 -2.234 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.517 -4.994 -1.405 1.00 0.66 H new ATOM 0 HD22 LEU A 26 0.249 -5.022 -3.011 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.204 -6.500 -2.020 1.00 0.66 H new ATOM 428 N ARG A 27 4.471 -8.573 -1.189 1.00 0.15 N ATOM 429 CA ARG A 27 5.790 -9.137 -0.910 1.00 0.21 C ATOM 430 C ARG A 27 6.735 -8.109 -0.292 1.00 0.21 C ATOM 431 O ARG A 27 7.936 -8.355 -0.191 1.00 0.35 O ATOM 432 CB ARG A 27 6.409 -9.721 -2.184 1.00 0.31 C ATOM 433 CG ARG A 27 5.874 -11.097 -2.542 1.00 1.11 C ATOM 434 CD ARG A 27 6.327 -12.146 -1.537 1.00 2.02 C ATOM 435 NE ARG A 27 7.745 -12.466 -1.681 1.00 2.71 N ATOM 436 CZ ARG A 27 8.355 -13.442 -1.013 1.00 3.55 C ATOM 437 NH1 ARG A 27 7.674 -14.193 -0.158 1.00 3.89 N ATOM 438 NH2 ARG A 27 9.648 -13.669 -1.203 1.00 4.34 N ATOM 0 H ARG A 27 3.720 -8.974 -0.627 1.00 0.15 H new ATOM 0 HA ARG A 27 5.648 -9.936 -0.182 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.222 -9.040 -3.014 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.490 -9.782 -2.058 1.00 0.31 H new ATOM 0 HG2 ARG A 27 4.785 -11.069 -2.575 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.216 -11.374 -3.539 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.138 -11.785 -0.526 1.00 2.02 H new ATOM 0 HD3 ARG A 27 5.736 -13.052 -1.668 1.00 2.02 H new ATOM 0 HE ARG A 27 8.300 -11.909 -2.331 1.00 2.71 H new ATOM 0 HH11 ARG A 27 6.679 -14.023 -0.011 1.00 3.89 H new ATOM 0 HH12 ARG A 27 8.145 -14.940 0.352 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.175 -13.095 -1.861 1.00 4.34 H new ATOM 0 HH22 ARG A 27 10.115 -14.417 -0.691 1.00 4.34 H new ATOM 452 N LEU A 28 6.195 -6.965 0.125 1.00 0.14 N ATOM 453 CA LEU A 28 7.010 -5.919 0.741 1.00 0.14 C ATOM 454 C LEU A 28 6.858 -5.915 2.251 1.00 0.13 C ATOM 455 O LEU A 28 7.073 -4.887 2.894 1.00 0.13 O ATOM 456 CB LEU A 28 6.650 -4.542 0.175 1.00 0.16 C ATOM 457 CG LEU A 28 7.101 -4.303 -1.267 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.919 -3.926 -2.142 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.167 -3.223 -1.319 1.00 0.67 C ATOM 0 H LEU A 28 5.203 -6.739 0.048 1.00 0.14 H new ATOM 0 HA LEU A 28 8.051 -6.136 0.503 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.569 -4.414 0.229 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.093 -3.776 0.811 1.00 0.16 H new ATOM 0 HG LEU A 28 7.529 -5.229 -1.650 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.261 -3.760 -3.164 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.186 -4.733 -2.131 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.460 -3.014 -1.760 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.476 -3.066 -2.352 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.764 -2.294 -0.916 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.028 -3.532 -0.726 1.00 0.67 H new ATOM 471 N HIS A 29 6.478 -7.057 2.824 1.00 0.13 N ATOM 472 CA HIS A 29 6.372 -7.152 4.272 1.00 0.13 C ATOM 473 C HIS A 29 7.746 -6.858 4.848 1.00 0.12 C ATOM 474 O HIS A 29 7.919 -6.647 6.045 1.00 0.13 O ATOM 475 CB HIS A 29 5.907 -8.538 4.710 1.00 0.14 C ATOM 476 CG HIS A 29 6.686 -9.652 4.084 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.596 -9.971 2.746 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.584 -10.517 4.615 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.402 -10.982 2.480 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.013 -11.332 3.598 1.00 0.24 N ATOM 0 H HIS A 29 6.244 -7.910 2.317 1.00 0.13 H new ATOM 0 HA HIS A 29 5.632 -6.438 4.634 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.986 -8.614 5.794 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.853 -8.656 4.459 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.902 -10.557 5.646 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.539 -11.444 1.514 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.694 -12.086 3.690 1.00 0.24 H new ATOM 489 N LYS A 30 8.723 -6.876 3.949 1.00 0.12 N ATOM 490 CA LYS A 30 10.099 -6.577 4.281 1.00 0.12 C ATOM 491 C LYS A 30 10.172 -5.187 4.887 1.00 0.11 C ATOM 492 O LYS A 30 10.877 -4.946 5.866 1.00 0.17 O ATOM 493 CB LYS A 30 10.944 -6.641 3.007 1.00 0.15 C ATOM 494 CG LYS A 30 10.260 -6.064 1.786 1.00 0.28 C ATOM 495 CD LYS A 30 10.446 -6.962 0.582 1.00 0.59 C ATOM 496 CE LYS A 30 11.527 -6.419 -0.319 1.00 0.65 C ATOM 497 NZ LYS A 30 11.641 -7.189 -1.588 1.00 0.72 N ATOM 0 H LYS A 30 8.575 -7.101 2.965 1.00 0.12 H new ATOM 0 HA LYS A 30 10.480 -7.301 5.001 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.878 -6.105 3.175 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.205 -7.680 2.808 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.196 -5.936 1.987 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.665 -5.075 1.572 1.00 0.28 H new ATOM 0 HD2 LYS A 30 10.708 -7.968 0.908 1.00 0.59 H new ATOM 0 HD3 LYS A 30 9.509 -7.039 0.030 1.00 0.59 H new ATOM 0 HE2 LYS A 30 11.316 -5.374 -0.548 1.00 0.65 H new ATOM 0 HE3 LYS A 30 12.482 -6.444 0.206 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.396 -6.780 -2.175 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.868 -8.181 -1.373 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 10.739 -7.144 -2.103 1.00 0.72 H new ATOM 511 N TYR A 31 9.420 -4.281 4.277 1.00 0.10 N ATOM 512 CA TYR A 31 9.345 -2.902 4.719 1.00 0.10 C ATOM 513 C TYR A 31 8.083 -2.669 5.531 1.00 0.11 C ATOM 514 O TYR A 31 7.586 -1.547 5.623 1.00 0.16 O ATOM 515 CB TYR A 31 9.385 -1.982 3.506 1.00 0.12 C ATOM 516 CG TYR A 31 10.628 -2.180 2.673 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.893 -2.066 3.238 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.537 -2.508 1.329 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.032 -2.266 2.483 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.672 -2.714 0.568 1.00 0.20 C ATOM 521 CZ TYR A 31 12.916 -2.591 1.149 1.00 0.23 C ATOM 522 OH TYR A 31 14.048 -2.796 0.394 1.00 0.28 O ATOM 0 H TYR A 31 8.845 -4.486 3.460 1.00 0.10 H new ATOM 0 HA TYR A 31 10.198 -2.683 5.361 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.505 -2.161 2.888 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.335 -0.945 3.838 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.987 -1.817 4.285 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.564 -2.604 0.870 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.008 -2.168 2.935 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.585 -2.970 -0.478 1.00 0.20 H new ATOM 0 HH TYR A 31 13.792 -3.018 -0.526 1.00 0.28 H new ATOM 532 N SER A 32 7.568 -3.744 6.121 1.00 0.10 N ATOM 533 CA SER A 32 6.367 -3.661 6.935 1.00 0.12 C ATOM 534 C SER A 32 6.609 -2.766 8.133 1.00 0.13 C ATOM 535 O SER A 32 5.787 -1.923 8.461 1.00 0.16 O ATOM 536 CB SER A 32 5.931 -5.050 7.405 1.00 0.13 C ATOM 537 OG SER A 32 6.908 -5.630 8.253 1.00 1.30 O ATOM 0 H SER A 32 7.966 -4.680 6.049 1.00 0.10 H new ATOM 0 HA SER A 32 5.571 -3.236 6.324 1.00 0.12 H new ATOM 0 HB2 SER A 32 4.982 -4.977 7.935 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.765 -5.694 6.542 1.00 0.13 H new ATOM 0 HG SER A 32 7.539 -6.153 7.715 1.00 1.30 H new ATOM 543 N ASP A 33 7.747 -2.959 8.780 1.00 0.12 N ATOM 544 CA ASP A 33 8.112 -2.172 9.940 1.00 0.14 C ATOM 545 C ASP A 33 8.253 -0.690 9.587 1.00 0.14 C ATOM 546 O ASP A 33 7.880 0.183 10.370 1.00 0.20 O ATOM 547 CB ASP A 33 9.421 -2.704 10.506 1.00 0.17 C ATOM 548 CG ASP A 33 9.289 -4.116 11.042 1.00 1.10 C ATOM 549 OD1 ASP A 33 8.937 -4.269 12.230 1.00 1.00 O ATOM 550 OD2 ASP A 33 9.540 -5.069 10.274 1.00 2.21 O ATOM 0 H ASP A 33 8.438 -3.662 8.516 1.00 0.12 H new ATOM 0 HA ASP A 33 7.321 -2.258 10.685 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.185 -2.684 9.728 1.00 0.17 H new ATOM 0 HB3 ASP A 33 9.762 -2.046 11.305 1.00 0.17 H new ATOM 555 N ALA A 34 8.798 -0.417 8.404 1.00 0.12 N ATOM 556 CA ALA A 34 9.002 0.956 7.944 1.00 0.13 C ATOM 557 C ALA A 34 7.718 1.584 7.413 1.00 0.12 C ATOM 558 O ALA A 34 7.571 2.806 7.413 1.00 0.15 O ATOM 559 CB ALA A 34 10.081 0.994 6.873 1.00 0.15 C ATOM 0 H ALA A 34 9.107 -1.130 7.744 1.00 0.12 H new ATOM 0 HA ALA A 34 9.320 1.543 8.806 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.225 2.021 6.538 1.00 0.15 H new ATOM 0 HB2 ALA A 34 11.016 0.612 7.284 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.777 0.376 6.028 1.00 0.15 H new ATOM 565 N LEU A 35 6.788 0.750 6.973 1.00 0.10 N ATOM 566 CA LEU A 35 5.535 1.238 6.413 1.00 0.09 C ATOM 567 C LEU A 35 4.355 1.035 7.364 1.00 0.09 C ATOM 568 O LEU A 35 3.269 1.564 7.131 1.00 0.12 O ATOM 569 CB LEU A 35 5.263 0.529 5.082 1.00 0.09 C ATOM 570 CG LEU A 35 5.891 1.164 3.828 1.00 0.19 C ATOM 571 CD1 LEU A 35 7.021 2.140 4.167 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.386 0.076 2.876 1.00 0.14 C ATOM 0 H LEU A 35 6.876 -0.266 6.992 1.00 0.10 H new ATOM 0 HA LEU A 35 5.638 2.311 6.254 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.622 -0.497 5.162 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.184 0.479 4.936 1.00 0.09 H new ATOM 0 HG LEU A 35 5.111 1.745 3.336 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.428 2.559 3.247 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.632 2.945 4.791 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.808 1.612 4.705 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.828 0.538 1.993 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.136 -0.535 3.379 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.548 -0.553 2.575 1.00 0.14 H new ATOM 584 N SER A 36 4.571 0.284 8.438 1.00 0.10 N ATOM 585 CA SER A 36 3.508 0.012 9.403 1.00 0.10 C ATOM 586 C SER A 36 3.081 1.284 10.125 1.00 0.10 C ATOM 587 O SER A 36 1.889 1.529 10.315 1.00 0.11 O ATOM 588 CB SER A 36 3.957 -1.032 10.428 1.00 0.13 C ATOM 589 OG SER A 36 2.958 -1.246 11.409 1.00 0.95 O ATOM 0 H SER A 36 5.468 -0.146 8.663 1.00 0.10 H new ATOM 0 HA SER A 36 2.656 -0.378 8.847 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.181 -1.971 9.921 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.878 -0.702 10.908 1.00 0.13 H new ATOM 0 HG SER A 36 3.269 -1.918 12.051 1.00 0.95 H new ATOM 595 N GLY A 37 4.062 2.088 10.529 1.00 0.12 N ATOM 596 CA GLY A 37 3.767 3.328 11.225 1.00 0.13 C ATOM 597 C GLY A 37 2.868 4.240 10.414 1.00 0.12 C ATOM 598 O GLY A 37 2.369 5.245 10.921 1.00 0.15 O ATOM 0 H GLY A 37 5.055 1.902 10.387 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.288 3.103 12.178 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.699 3.846 11.451 1.00 0.13 H new ATOM 602 N THR A 38 2.666 3.886 9.149 1.00 0.08 N ATOM 603 CA THR A 38 1.825 4.669 8.258 1.00 0.08 C ATOM 604 C THR A 38 0.640 3.840 7.757 1.00 0.07 C ATOM 605 O THR A 38 0.830 2.743 7.241 1.00 0.08 O ATOM 606 CB THR A 38 2.632 5.177 7.049 1.00 0.09 C ATOM 607 OG1 THR A 38 3.843 5.794 7.499 1.00 0.11 O ATOM 608 CG2 THR A 38 1.822 6.179 6.245 1.00 0.11 C ATOM 0 H THR A 38 3.077 3.057 8.719 1.00 0.08 H new ATOM 0 HA THR A 38 1.452 5.521 8.826 1.00 0.08 H new ATOM 0 HB THR A 38 2.869 4.326 6.411 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.733 6.768 7.500 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.411 6.525 5.396 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.910 5.704 5.884 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.563 7.028 6.877 1.00 0.11 H new ATOM 616 N PRO A 39 -0.601 4.351 7.905 1.00 0.07 N ATOM 617 CA PRO A 39 -1.820 3.651 7.460 1.00 0.08 C ATOM 618 C PRO A 39 -1.889 3.533 5.948 1.00 0.07 C ATOM 619 O PRO A 39 -0.986 3.987 5.254 1.00 0.07 O ATOM 620 CB PRO A 39 -2.946 4.561 7.950 1.00 0.09 C ATOM 621 CG PRO A 39 -2.313 5.899 8.003 1.00 0.09 C ATOM 622 CD PRO A 39 -0.926 5.651 8.511 1.00 0.09 C ATOM 0 HA PRO A 39 -1.866 2.632 7.844 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.798 4.547 7.270 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.314 4.252 8.928 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.295 6.367 7.019 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.862 6.569 8.664 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.232 6.431 8.198 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.892 5.613 9.600 1.00 0.09 H new ATOM 630 N TRP A 40 -2.958 2.926 5.436 1.00 0.07 N ATOM 631 CA TRP A 40 -3.114 2.792 3.994 1.00 0.07 C ATOM 632 C TRP A 40 -3.452 4.138 3.381 1.00 0.07 C ATOM 633 O TRP A 40 -2.821 4.554 2.420 1.00 0.07 O ATOM 634 CB TRP A 40 -4.176 1.749 3.620 1.00 0.08 C ATOM 635 CG TRP A 40 -5.588 2.123 3.978 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.200 1.966 5.190 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.574 2.698 3.105 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.504 2.401 5.122 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.752 2.861 3.858 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.575 3.093 1.762 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.916 3.402 3.315 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.732 3.631 1.227 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.887 3.782 2.003 1.00 0.21 C ATOM 0 H TRP A 40 -3.716 2.526 5.989 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.164 2.440 3.592 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.125 1.569 2.546 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.929 0.808 4.113 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.729 1.560 6.073 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.176 2.383 5.889 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.689 2.980 1.155 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.810 3.517 3.911 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.744 3.940 0.192 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.773 4.207 1.556 1.00 0.21 H new ATOM 654 N ILE A 41 -4.428 4.827 3.965 1.00 0.08 N ATOM 655 CA ILE A 41 -4.848 6.130 3.464 1.00 0.09 C ATOM 656 C ILE A 41 -3.649 7.053 3.268 1.00 0.07 C ATOM 657 O ILE A 41 -3.698 7.991 2.473 1.00 0.08 O ATOM 658 CB ILE A 41 -5.857 6.803 4.418 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.659 7.872 3.672 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.141 7.410 5.618 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.137 7.561 3.580 1.00 0.45 C ATOM 0 H ILE A 41 -4.942 4.504 4.785 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.333 5.960 2.503 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.547 6.043 4.784 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.528 8.830 4.174 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.255 7.982 2.666 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.871 7.879 6.278 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.612 6.627 6.161 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.427 8.159 5.275 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.644 8.360 3.039 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.278 6.618 3.051 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.555 7.480 4.583 1.00 0.45 H new ATOM 673 N GLU A 42 -2.572 6.777 4.001 1.00 0.07 N ATOM 674 CA GLU A 42 -1.359 7.577 3.897 1.00 0.06 C ATOM 675 C GLU A 42 -0.332 6.851 3.039 1.00 0.06 C ATOM 676 O GLU A 42 0.419 7.471 2.286 1.00 0.07 O ATOM 677 CB GLU A 42 -0.790 7.875 5.283 1.00 0.07 C ATOM 678 CG GLU A 42 -1.606 8.885 6.071 1.00 0.09 C ATOM 679 CD GLU A 42 -0.920 9.321 7.351 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.044 10.209 7.282 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.259 8.777 8.423 1.00 2.15 O ATOM 0 H GLU A 42 -2.517 6.009 4.670 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.604 8.527 3.422 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.732 6.946 5.850 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.229 8.248 5.176 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.794 9.760 5.448 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.577 8.452 6.313 1.00 0.09 H new ATOM 688 N LEU A 43 -0.309 5.527 3.168 1.00 0.06 N ATOM 689 CA LEU A 43 0.594 4.689 2.389 1.00 0.07 C ATOM 690 C LEU A 43 0.351 4.938 0.915 1.00 0.08 C ATOM 691 O LEU A 43 1.250 5.313 0.164 1.00 0.10 O ATOM 692 CB LEU A 43 0.332 3.216 2.695 1.00 0.08 C ATOM 693 CG LEU A 43 1.528 2.420 3.220 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.652 2.411 2.204 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.010 2.993 4.537 1.00 0.09 C ATOM 0 H LEU A 43 -0.910 5.010 3.810 1.00 0.06 H new ATOM 0 HA LEU A 43 1.625 4.933 2.647 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.471 3.155 3.429 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.029 2.735 1.786 1.00 0.08 H new ATOM 0 HG LEU A 43 1.208 1.392 3.386 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.493 1.840 2.597 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.303 1.953 1.279 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.970 3.434 2.004 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.861 2.414 4.896 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.311 4.031 4.394 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.205 2.947 5.270 1.00 0.09 H new ATOM 707 N ILE A 44 -0.894 4.715 0.525 1.00 0.09 N ATOM 708 CA ILE A 44 -1.341 4.912 -0.837 1.00 0.10 C ATOM 709 C ILE A 44 -1.143 6.358 -1.282 1.00 0.10 C ATOM 710 O ILE A 44 -1.364 6.698 -2.443 1.00 0.15 O ATOM 711 CB ILE A 44 -2.823 4.527 -0.959 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.706 5.520 -0.200 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.020 3.126 -0.406 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.175 5.422 -0.546 1.00 0.20 C ATOM 0 H ILE A 44 -1.627 4.389 1.155 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.742 4.273 -1.486 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.112 4.552 -2.010 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.583 5.356 0.871 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.360 6.532 -0.409 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.070 2.846 -0.489 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.411 2.422 -0.973 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.721 3.103 0.642 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.735 6.157 0.032 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.312 5.616 -1.610 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.538 4.422 -0.310 1.00 0.20 H new ATOM 726 N TYR A 45 -0.734 7.205 -0.342 1.00 0.08 N ATOM 727 CA TYR A 45 -0.501 8.614 -0.632 1.00 0.08 C ATOM 728 C TYR A 45 0.996 8.930 -0.651 1.00 0.08 C ATOM 729 O TYR A 45 1.405 9.986 -1.134 1.00 0.10 O ATOM 730 CB TYR A 45 -1.218 9.494 0.396 1.00 0.10 C ATOM 731 CG TYR A 45 -2.674 9.792 0.071 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.403 8.998 -0.813 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.320 10.872 0.660 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.730 9.275 -1.098 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.643 11.155 0.381 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.343 10.354 -0.497 1.00 0.16 C ATOM 737 OH TYR A 45 -6.662 10.634 -0.775 1.00 0.19 O ATOM 0 H TYR A 45 -0.557 6.939 0.627 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.905 8.828 -1.621 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.170 9.006 1.369 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.679 10.437 0.486 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.925 8.152 -1.284 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.777 11.502 1.349 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.280 8.650 -1.786 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.127 12.000 0.848 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.942 11.425 -0.269 1.00 0.19 H new ATOM 747 N LEU A 46 1.810 8.014 -0.122 1.00 0.08 N ATOM 748 CA LEU A 46 3.260 8.202 -0.097 1.00 0.09 C ATOM 749 C LEU A 46 3.818 8.269 -1.511 1.00 0.09 C ATOM 750 O LEU A 46 3.073 8.363 -2.487 1.00 0.11 O ATOM 751 CB LEU A 46 3.961 7.051 0.631 1.00 0.10 C ATOM 752 CG LEU A 46 3.483 6.739 2.048 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.399 5.704 2.686 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.435 7.995 2.901 1.00 0.12 C ATOM 0 H LEU A 46 1.491 7.139 0.293 1.00 0.08 H new ATOM 0 HA LEU A 46 3.447 9.138 0.430 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.849 6.150 0.029 1.00 0.10 H new ATOM 0 HB3 LEU A 46 5.027 7.275 0.674 1.00 0.10 H new ATOM 0 HG LEU A 46 2.472 6.337 1.987 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.053 5.486 3.696 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.385 4.790 2.092 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.416 6.094 2.727 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.091 7.741 3.904 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.431 8.434 2.959 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.748 8.713 2.453 1.00 0.12 H new ATOM 766 N ASP A 47 5.141 8.204 -1.607 1.00 0.09 N ATOM 767 CA ASP A 47 5.823 8.235 -2.893 1.00 0.10 C ATOM 768 C ASP A 47 7.181 7.560 -2.785 1.00 0.10 C ATOM 769 O ASP A 47 7.671 7.315 -1.686 1.00 0.16 O ATOM 770 CB ASP A 47 6.003 9.676 -3.383 1.00 0.11 C ATOM 771 CG ASP A 47 4.688 10.420 -3.519 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.057 10.319 -4.592 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.290 11.104 -2.552 1.00 0.96 O ATOM 0 H ASP A 47 5.765 8.129 -0.804 1.00 0.09 H new ATOM 0 HA ASP A 47 5.208 7.696 -3.613 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.649 10.213 -2.688 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.511 9.666 -4.347 1.00 0.11 H new ATOM 778 N ASP A 48 7.799 7.303 -3.929 1.00 0.12 N ATOM 779 CA ASP A 48 9.104 6.647 -3.968 1.00 0.14 C ATOM 780 C ASP A 48 10.032 7.252 -2.926 1.00 0.14 C ATOM 781 O ASP A 48 10.720 6.535 -2.201 1.00 0.21 O ATOM 782 CB ASP A 48 9.715 6.795 -5.365 1.00 0.17 C ATOM 783 CG ASP A 48 11.231 6.768 -5.348 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.842 7.829 -5.115 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.808 5.680 -5.565 1.00 1.65 O ATOM 0 H ASP A 48 7.419 7.538 -4.846 1.00 0.12 H new ATOM 0 HA ASP A 48 8.974 5.588 -3.743 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.349 5.991 -6.004 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.378 7.733 -5.807 1.00 0.17 H new ATOM 790 N GLU A 49 10.028 8.570 -2.840 1.00 0.14 N ATOM 791 CA GLU A 49 10.864 9.271 -1.870 1.00 0.16 C ATOM 792 C GLU A 49 10.535 8.840 -0.442 1.00 0.13 C ATOM 793 O GLU A 49 11.387 8.292 0.253 1.00 0.19 O ATOM 794 CB GLU A 49 10.692 10.786 -1.995 1.00 0.23 C ATOM 795 CG GLU A 49 11.528 11.575 -0.994 1.00 0.37 C ATOM 796 CD GLU A 49 11.286 13.070 -1.086 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.376 13.568 -0.391 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.007 13.742 -1.854 1.00 0.51 O ATOM 0 H GLU A 49 9.458 9.179 -3.427 1.00 0.14 H new ATOM 0 HA GLU A 49 11.900 9.009 -2.087 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.963 11.093 -3.005 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.640 11.037 -1.857 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.298 11.234 0.015 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.585 11.370 -1.166 1.00 0.37 H new ATOM 805 N THR A 50 9.290 9.074 -0.022 1.00 0.11 N ATOM 806 CA THR A 50 8.852 8.740 1.331 1.00 0.10 C ATOM 807 C THR A 50 9.251 7.325 1.730 1.00 0.09 C ATOM 808 O THR A 50 9.886 7.125 2.760 1.00 0.13 O ATOM 809 CB THR A 50 7.328 8.886 1.483 1.00 0.12 C ATOM 810 OG1 THR A 50 6.931 10.232 1.198 1.00 0.19 O ATOM 811 CG2 THR A 50 6.896 8.510 2.891 1.00 0.14 C ATOM 0 H THR A 50 8.566 9.495 -0.604 1.00 0.11 H new ATOM 0 HA THR A 50 9.353 9.447 1.992 1.00 0.10 H new ATOM 0 HB THR A 50 6.845 8.213 0.775 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.959 10.314 1.296 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.815 8.619 2.981 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.175 7.476 3.093 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.388 9.165 3.610 1.00 0.14 H new ATOM 819 N LEU A 51 8.873 6.352 0.911 1.00 0.09 N ATOM 820 CA LEU A 51 9.187 4.959 1.173 1.00 0.11 C ATOM 821 C LEU A 51 10.662 4.784 1.505 1.00 0.11 C ATOM 822 O LEU A 51 11.016 3.987 2.371 1.00 0.14 O ATOM 823 CB LEU A 51 8.806 4.136 -0.049 1.00 0.12 C ATOM 824 CG LEU A 51 7.310 3.860 -0.177 1.00 0.16 C ATOM 825 CD1 LEU A 51 6.538 5.131 -0.473 1.00 0.89 C ATOM 826 CD2 LEU A 51 7.048 2.820 -1.247 1.00 0.74 C ATOM 0 H LEU A 51 8.344 6.507 0.053 1.00 0.09 H new ATOM 0 HA LEU A 51 8.619 4.616 2.038 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.146 4.657 -0.944 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.338 3.185 -0.013 1.00 0.12 H new ATOM 0 HG LEU A 51 6.962 3.471 0.780 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.476 4.900 -0.558 1.00 0.89 H new ATOM 0 HD12 LEU A 51 6.690 5.846 0.336 1.00 0.89 H new ATOM 0 HD13 LEU A 51 6.892 5.562 -1.410 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.976 2.638 -1.322 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.423 3.181 -2.205 1.00 0.74 H new ATOM 0 HD23 LEU A 51 7.556 1.892 -0.985 1.00 0.74 H new ATOM 838 N GLU A 52 11.515 5.530 0.820 1.00 0.10 N ATOM 839 CA GLU A 52 12.945 5.473 1.085 1.00 0.13 C ATOM 840 C GLU A 52 13.206 6.011 2.478 1.00 0.13 C ATOM 841 O GLU A 52 14.001 5.470 3.245 1.00 0.16 O ATOM 842 CB GLU A 52 13.705 6.318 0.068 1.00 0.16 C ATOM 843 CG GLU A 52 15.186 5.989 -0.014 1.00 0.33 C ATOM 844 CD GLU A 52 15.941 6.925 -0.938 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.215 8.071 -0.527 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.262 6.510 -2.072 1.00 0.52 O ATOM 0 H GLU A 52 11.245 6.179 0.081 1.00 0.10 H new ATOM 0 HA GLU A 52 13.285 4.440 1.009 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.256 6.178 -0.915 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.589 7.371 0.325 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.622 6.040 0.984 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.308 4.964 -0.363 1.00 0.33 H new ATOM 853 N LYS A 53 12.509 7.094 2.777 1.00 0.13 N ATOM 854 CA LYS A 53 12.613 7.756 4.072 1.00 0.16 C ATOM 855 C LYS A 53 12.231 6.803 5.205 1.00 0.18 C ATOM 856 O LYS A 53 12.757 6.903 6.314 1.00 0.25 O ATOM 857 CB LYS A 53 11.718 8.996 4.091 1.00 0.17 C ATOM 858 CG LYS A 53 11.837 9.827 2.825 1.00 0.42 C ATOM 859 CD LYS A 53 13.029 10.764 2.876 1.00 0.60 C ATOM 860 CE LYS A 53 12.745 11.948 3.776 1.00 1.54 C ATOM 861 NZ LYS A 53 12.012 13.029 3.061 1.00 2.19 N ATOM 0 H LYS A 53 11.856 7.540 2.133 1.00 0.13 H new ATOM 0 HA LYS A 53 13.648 8.060 4.226 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.681 8.688 4.222 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.978 9.613 4.951 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.931 9.166 1.964 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.925 10.407 2.684 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.904 10.226 3.240 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.265 11.114 1.871 1.00 0.60 H new ATOM 0 HE2 LYS A 53 12.159 11.619 4.634 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.684 12.342 4.164 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 11.838 13.820 3.713 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 12.582 13.362 2.257 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.104 12.661 2.713 1.00 2.19 H new ATOM 875 N LYS A 54 11.312 5.877 4.919 1.00 0.13 N ATOM 876 CA LYS A 54 10.872 4.899 5.909 1.00 0.16 C ATOM 877 C LYS A 54 11.910 3.798 6.056 1.00 0.17 C ATOM 878 O LYS A 54 12.462 3.576 7.134 1.00 0.21 O ATOM 879 CB LYS A 54 9.539 4.278 5.487 1.00 0.16 C ATOM 880 CG LYS A 54 8.614 5.259 4.793 1.00 0.25 C ATOM 881 CD LYS A 54 8.187 6.361 5.742 1.00 0.39 C ATOM 882 CE LYS A 54 6.706 6.275 6.035 1.00 0.30 C ATOM 883 NZ LYS A 54 6.380 6.788 7.394 1.00 1.20 N ATOM 0 H LYS A 54 10.860 5.787 4.009 1.00 0.13 H new ATOM 0 HA LYS A 54 10.746 5.411 6.863 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.732 3.438 4.820 1.00 0.16 H new ATOM 0 HB3 LYS A 54 9.038 3.877 6.368 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.118 5.692 3.929 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.735 4.734 4.419 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.751 6.285 6.672 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.420 7.333 5.306 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.154 6.847 5.289 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.378 5.239 5.949 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.535 6.301 7.756 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 7.181 6.612 8.033 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.195 7.810 7.344 1.00 1.20 H new ATOM 897 N GLY A 55 12.159 3.115 4.947 1.00 0.19 N ATOM 898 CA GLY A 55 13.122 2.035 4.924 1.00 0.23 C ATOM 899 C GLY A 55 13.155 1.333 3.583 1.00 0.25 C ATOM 900 O GLY A 55 14.067 0.554 3.306 1.00 0.38 O ATOM 0 H GLY A 55 11.704 3.294 4.052 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.113 2.428 5.152 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.877 1.314 5.704 1.00 0.23 H new ATOM 904 N VAL A 56 12.147 1.600 2.758 1.00 0.17 N ATOM 905 CA VAL A 56 12.069 1.028 1.422 1.00 0.21 C ATOM 906 C VAL A 56 13.157 1.652 0.553 1.00 0.40 C ATOM 907 O VAL A 56 12.894 2.525 -0.274 1.00 0.89 O ATOM 908 CB VAL A 56 10.680 1.283 0.798 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.434 0.378 -0.399 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.579 1.101 1.839 1.00 0.17 C ATOM 0 H VAL A 56 11.368 2.214 2.996 1.00 0.17 H new ATOM 0 HA VAL A 56 12.217 -0.050 1.484 1.00 0.21 H new ATOM 0 HB VAL A 56 10.661 2.315 0.447 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.447 0.584 -0.814 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.193 0.565 -1.158 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.485 -0.664 -0.084 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.609 1.285 1.378 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.609 0.083 2.226 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.732 1.805 2.657 1.00 0.17 H new ATOM 920 N LEU A 57 14.385 1.187 0.762 1.00 0.21 N ATOM 921 CA LEU A 57 15.557 1.706 0.063 1.00 0.26 C ATOM 922 C LEU A 57 15.790 1.026 -1.283 1.00 0.36 C ATOM 923 O LEU A 57 16.880 1.118 -1.848 1.00 0.83 O ATOM 924 CB LEU A 57 16.778 1.505 0.956 1.00 0.34 C ATOM 925 CG LEU A 57 17.024 2.574 2.034 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.724 3.070 2.657 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.913 1.999 3.119 1.00 0.55 C ATOM 0 H LEU A 57 14.596 0.438 1.422 1.00 0.21 H new ATOM 0 HA LEU A 57 15.387 2.763 -0.143 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.684 0.538 1.450 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.661 1.453 0.319 1.00 0.34 H new ATOM 0 HG LEU A 57 17.508 3.424 1.553 1.00 0.37 H new ATOM 0 HD11 LEU A 57 15.947 3.823 3.413 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.093 3.508 1.883 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.201 2.234 3.121 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.089 2.755 3.884 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.425 1.134 3.569 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.865 1.694 2.685 1.00 0.55 H new ATOM 939 N ALA A 58 14.775 0.351 -1.796 1.00 0.21 N ATOM 940 CA ALA A 58 14.893 -0.334 -3.075 1.00 0.17 C ATOM 941 C ALA A 58 14.151 0.402 -4.167 1.00 0.13 C ATOM 942 O ALA A 58 12.924 0.443 -4.169 1.00 0.12 O ATOM 943 CB ALA A 58 14.362 -1.748 -2.969 1.00 0.18 C ATOM 0 H ALA A 58 13.862 0.262 -1.349 1.00 0.21 H new ATOM 0 HA ALA A 58 15.951 -0.361 -3.334 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.458 -2.246 -3.934 1.00 0.18 H new ATOM 0 HB2 ALA A 58 14.933 -2.296 -2.220 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.312 -1.721 -2.677 1.00 0.18 H new ATOM 949 N LEU A 59 14.899 0.989 -5.095 1.00 0.14 N ATOM 950 CA LEU A 59 14.288 1.690 -6.210 1.00 0.13 C ATOM 951 C LEU A 59 13.256 0.777 -6.845 1.00 0.12 C ATOM 952 O LEU A 59 12.267 1.228 -7.415 1.00 0.14 O ATOM 953 CB LEU A 59 15.343 2.092 -7.244 1.00 0.15 C ATOM 954 CG LEU A 59 16.016 3.447 -7.008 1.00 0.19 C ATOM 955 CD1 LEU A 59 15.011 4.571 -7.190 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.641 3.506 -5.623 1.00 0.27 C ATOM 0 H LEU A 59 15.919 0.992 -5.095 1.00 0.14 H new ATOM 0 HA LEU A 59 13.812 2.601 -5.849 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.114 1.322 -7.268 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.875 2.105 -8.228 1.00 0.15 H new ATOM 0 HG LEU A 59 16.812 3.569 -7.742 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.502 5.529 -7.019 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.613 4.543 -8.204 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.196 4.449 -6.477 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.113 4.478 -5.478 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.868 3.362 -4.868 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.391 2.721 -5.528 1.00 0.27 H new ATOM 968 N GLY A 60 13.518 -0.520 -6.740 1.00 0.12 N ATOM 969 CA GLY A 60 12.615 -1.509 -7.275 1.00 0.12 C ATOM 970 C GLY A 60 11.382 -1.699 -6.412 1.00 0.11 C ATOM 971 O GLY A 60 10.278 -1.840 -6.922 1.00 0.14 O ATOM 0 H GLY A 60 14.349 -0.902 -6.289 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.310 -1.212 -8.278 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.138 -2.460 -7.369 1.00 0.12 H new ATOM 975 N ALA A 61 11.579 -1.715 -5.097 1.00 0.10 N ATOM 976 CA ALA A 61 10.485 -1.913 -4.147 1.00 0.10 C ATOM 977 C ALA A 61 9.589 -0.682 -3.987 1.00 0.11 C ATOM 978 O ALA A 61 8.369 -0.779 -4.121 1.00 0.16 O ATOM 979 CB ALA A 61 11.041 -2.328 -2.795 1.00 0.13 C ATOM 0 H ALA A 61 12.493 -1.592 -4.661 1.00 0.10 H new ATOM 0 HA ALA A 61 9.857 -2.704 -4.556 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.220 -2.473 -2.093 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.597 -3.259 -2.901 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.705 -1.549 -2.420 1.00 0.13 H new ATOM 985 N ARG A 62 10.192 0.472 -3.704 1.00 0.14 N ATOM 986 CA ARG A 62 9.427 1.694 -3.477 1.00 0.16 C ATOM 987 C ARG A 62 8.721 2.197 -4.725 1.00 0.11 C ATOM 988 O ARG A 62 7.495 2.312 -4.741 1.00 0.11 O ATOM 989 CB ARG A 62 10.321 2.786 -2.885 1.00 0.23 C ATOM 990 CG ARG A 62 11.479 3.222 -3.767 1.00 0.32 C ATOM 991 CD ARG A 62 12.459 4.090 -2.991 1.00 0.23 C ATOM 992 NE ARG A 62 13.548 4.590 -3.828 1.00 0.21 N ATOM 993 CZ ARG A 62 14.005 5.840 -3.781 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.437 6.728 -2.978 1.00 0.81 N ATOM 995 NH2 ARG A 62 15.027 6.207 -4.541 1.00 0.48 N ATOM 0 H ARG A 62 11.203 0.585 -3.627 1.00 0.14 H new ATOM 0 HA ARG A 62 8.645 1.442 -2.760 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.705 3.658 -2.664 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.722 2.430 -1.936 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.995 2.344 -4.156 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.099 3.775 -4.626 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.925 4.933 -2.553 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.875 3.513 -2.165 1.00 0.23 H new ATOM 0 HE ARG A 62 13.983 3.944 -4.486 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.647 6.455 -2.393 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.790 7.684 -2.945 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.467 5.531 -5.165 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.374 7.166 -4.502 1.00 0.48 H new ATOM 1009 N ARG A 63 9.487 2.510 -5.757 1.00 0.12 N ATOM 1010 CA ARG A 63 8.909 3.000 -7.003 1.00 0.13 C ATOM 1011 C ARG A 63 7.775 2.084 -7.450 1.00 0.12 C ATOM 1012 O ARG A 63 6.889 2.491 -8.202 1.00 0.14 O ATOM 1013 CB ARG A 63 9.963 3.070 -8.107 1.00 0.16 C ATOM 1014 CG ARG A 63 10.922 4.239 -7.973 1.00 0.79 C ATOM 1015 CD ARG A 63 11.850 4.334 -9.172 1.00 0.75 C ATOM 1016 NE ARG A 63 12.701 5.518 -9.116 1.00 1.33 N ATOM 1017 CZ ARG A 63 13.455 5.937 -10.129 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.458 5.270 -11.276 1.00 1.33 N ATOM 1019 NH2 ARG A 63 14.205 7.022 -9.996 1.00 2.47 N ATOM 0 H ARG A 63 10.504 2.435 -5.760 1.00 0.12 H new ATOM 0 HA ARG A 63 8.523 4.003 -6.821 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.535 2.142 -8.108 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.460 3.135 -9.072 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.357 5.166 -7.874 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.511 4.126 -7.063 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.474 3.442 -9.218 1.00 0.75 H new ATOM 0 HD3 ARG A 63 11.258 4.357 -10.087 1.00 0.75 H new ATOM 0 HE ARG A 63 12.719 6.056 -8.250 1.00 1.33 H new ATOM 0 HH11 ARG A 63 12.882 4.435 -11.382 1.00 1.33 H new ATOM 0 HH12 ARG A 63 14.036 5.592 -12.052 1.00 1.33 H new ATOM 0 HH21 ARG A 63 14.205 7.537 -9.116 1.00 2.47 H new ATOM 0 HH22 ARG A 63 14.782 7.341 -10.774 1.00 2.47 H new ATOM 1033 N LYS A 64 7.818 0.841 -6.977 1.00 0.10 N ATOM 1034 CA LYS A 64 6.803 -0.148 -7.316 1.00 0.13 C ATOM 1035 C LYS A 64 5.545 0.049 -6.501 1.00 0.11 C ATOM 1036 O LYS A 64 4.447 0.011 -7.041 1.00 0.12 O ATOM 1037 CB LYS A 64 7.345 -1.553 -7.079 1.00 0.18 C ATOM 1038 CG LYS A 64 7.774 -2.276 -8.353 1.00 0.76 C ATOM 1039 CD LYS A 64 8.607 -1.388 -9.269 1.00 1.33 C ATOM 1040 CE LYS A 64 9.173 -2.173 -10.441 1.00 1.80 C ATOM 1041 NZ LYS A 64 10.025 -1.325 -11.320 1.00 2.52 N ATOM 0 H LYS A 64 8.549 0.495 -6.355 1.00 0.10 H new ATOM 0 HA LYS A 64 6.553 -0.020 -8.369 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.198 -1.493 -6.403 1.00 0.18 H new ATOM 0 HB3 LYS A 64 6.581 -2.146 -6.577 1.00 0.18 H new ATOM 0 HG2 LYS A 64 8.350 -3.163 -8.088 1.00 0.76 H new ATOM 0 HG3 LYS A 64 6.889 -2.619 -8.889 1.00 0.76 H new ATOM 0 HD2 LYS A 64 7.992 -0.569 -9.641 1.00 1.33 H new ATOM 0 HD3 LYS A 64 9.423 -0.941 -8.701 1.00 1.33 H new ATOM 0 HE2 LYS A 64 9.760 -3.011 -10.066 1.00 1.80 H new ATOM 0 HE3 LYS A 64 8.354 -2.593 -11.025 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 10.391 -1.898 -12.107 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 9.459 -0.539 -11.699 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 10.821 -0.944 -10.769 1.00 2.52 H new ATOM 1055 N LEU A 65 5.708 0.245 -5.200 1.00 0.11 N ATOM 1056 CA LEU A 65 4.568 0.445 -4.322 1.00 0.11 C ATOM 1057 C LEU A 65 3.709 1.595 -4.806 1.00 0.08 C ATOM 1058 O LEU A 65 2.517 1.659 -4.507 1.00 0.09 O ATOM 1059 CB LEU A 65 5.031 0.690 -2.900 1.00 0.13 C ATOM 1060 CG LEU A 65 5.078 -0.567 -2.045 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.310 -0.554 -1.169 1.00 0.22 C ATOM 1062 CD2 LEU A 65 3.809 -0.693 -1.218 1.00 0.23 C ATOM 0 H LEU A 65 6.614 0.269 -4.733 1.00 0.11 H new ATOM 0 HA LEU A 65 3.963 -0.461 -4.339 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.024 1.140 -2.923 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.364 1.413 -2.430 1.00 0.13 H new ATOM 0 HG LEU A 65 5.137 -1.439 -2.696 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.334 -1.458 -0.561 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.201 -0.514 -1.795 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.285 0.320 -0.518 1.00 0.22 H new ATOM 0 HD21 LEU A 65 3.858 -1.597 -0.612 1.00 0.23 H new ATOM 0 HD22 LEU A 65 3.711 0.176 -0.567 1.00 0.23 H new ATOM 0 HD23 LEU A 65 2.946 -0.748 -1.882 1.00 0.23 H new ATOM 1074 N LEU A 66 4.320 2.509 -5.550 1.00 0.08 N ATOM 1075 CA LEU A 66 3.594 3.641 -6.098 1.00 0.09 C ATOM 1076 C LEU A 66 2.439 3.137 -6.948 1.00 0.11 C ATOM 1077 O LEU A 66 1.478 3.861 -7.209 1.00 0.14 O ATOM 1078 CB LEU A 66 4.525 4.534 -6.915 1.00 0.11 C ATOM 1079 CG LEU A 66 5.260 5.596 -6.098 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.669 5.800 -6.624 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.487 6.907 -6.113 1.00 0.14 C ATOM 0 H LEU A 66 5.312 2.486 -5.785 1.00 0.08 H new ATOM 0 HA LEU A 66 3.195 4.241 -5.280 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.261 3.907 -7.418 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.943 5.029 -7.692 1.00 0.11 H new ATOM 0 HG LEU A 66 5.330 5.248 -5.067 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.174 6.560 -6.028 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.221 4.862 -6.559 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.626 6.124 -7.664 1.00 0.15 H new ATOM 0 HD21 LEU A 66 5.024 7.653 -5.527 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.385 7.258 -7.140 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.498 6.751 -5.683 1.00 0.14 H new ATOM 1093 N LYS A 67 2.547 1.881 -7.379 1.00 0.12 N ATOM 1094 CA LYS A 67 1.499 1.255 -8.166 1.00 0.16 C ATOM 1095 C LYS A 67 0.364 0.849 -7.244 1.00 0.14 C ATOM 1096 O LYS A 67 -0.809 1.023 -7.563 1.00 0.16 O ATOM 1097 CB LYS A 67 2.025 0.020 -8.895 1.00 0.22 C ATOM 1098 CG LYS A 67 2.937 0.337 -10.067 1.00 0.84 C ATOM 1099 CD LYS A 67 2.157 0.418 -11.371 1.00 1.26 C ATOM 1100 CE LYS A 67 1.500 -0.910 -11.711 1.00 1.56 C ATOM 1101 NZ LYS A 67 0.729 -0.844 -12.982 1.00 2.20 N ATOM 0 H LYS A 67 3.351 1.282 -7.194 1.00 0.12 H new ATOM 0 HA LYS A 67 1.147 1.969 -8.910 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.567 -0.605 -8.185 1.00 0.22 H new ATOM 0 HB3 LYS A 67 1.179 -0.565 -9.254 1.00 0.22 H new ATOM 0 HG2 LYS A 67 3.448 1.283 -9.887 1.00 0.84 H new ATOM 0 HG3 LYS A 67 3.707 -0.430 -10.149 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.394 1.193 -11.292 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.827 0.711 -12.179 1.00 1.26 H new ATOM 0 HE2 LYS A 67 2.265 -1.682 -11.791 1.00 1.56 H new ATOM 0 HE3 LYS A 67 0.835 -1.203 -10.899 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 0.298 -1.771 -13.175 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 -0.018 -0.125 -12.898 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 1.368 -0.590 -13.763 1.00 2.20 H new ATOM 1115 N ALA A 68 0.738 0.318 -6.083 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.238 -0.122 -5.096 1.00 0.14 C ATOM 1117 C ALA A 68 -0.940 1.077 -4.492 1.00 0.13 C ATOM 1118 O ALA A 68 -2.089 0.994 -4.075 1.00 0.23 O ATOM 1119 CB ALA A 68 0.434 -0.953 -4.008 1.00 0.17 C ATOM 0 H ALA A 68 1.710 0.183 -5.805 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.978 -0.749 -5.592 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.312 -1.272 -3.281 1.00 0.17 H new ATOM 0 HB2 ALA A 68 0.902 -1.830 -4.456 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.194 -0.352 -3.508 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.240 2.198 -4.469 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.780 3.422 -3.918 1.00 0.11 C ATOM 1127 C PHE A 69 -1.947 3.933 -4.757 1.00 0.10 C ATOM 1128 O PHE A 69 -2.969 4.355 -4.219 1.00 0.12 O ATOM 1129 CB PHE A 69 0.322 4.480 -3.848 1.00 0.11 C ATOM 1130 CG PHE A 69 1.425 4.172 -2.865 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.347 3.084 -1.999 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.545 4.983 -2.805 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.362 2.823 -1.099 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.560 4.723 -1.909 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.469 3.643 -1.051 1.00 0.12 C ATOM 0 H PHE A 69 0.711 2.282 -4.829 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.153 3.217 -2.914 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.759 4.597 -4.840 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.127 5.437 -3.582 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.483 2.437 -2.031 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.625 5.831 -3.469 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.288 1.976 -0.433 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.428 5.365 -1.877 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.262 3.442 -0.346 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.788 3.886 -6.075 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.833 4.357 -6.962 1.00 0.13 C ATOM 1147 C GLY A 70 -4.010 3.412 -7.051 1.00 0.13 C ATOM 1148 O GLY A 70 -5.161 3.840 -6.971 1.00 0.13 O ATOM 0 H GLY A 70 -0.955 3.530 -6.544 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.182 5.330 -6.617 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.416 4.503 -7.959 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.728 2.127 -7.223 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.782 1.129 -7.319 1.00 0.15 C ATOM 1154 C ILE A 71 -5.706 1.206 -6.111 1.00 0.13 C ATOM 1155 O ILE A 71 -6.919 1.057 -6.237 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.196 -0.292 -7.427 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.240 -0.379 -8.617 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.309 -1.319 -7.567 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.192 -1.460 -8.474 1.00 0.25 C ATOM 0 H ILE A 71 -2.782 1.754 -7.298 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.353 1.342 -8.223 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.641 -0.509 -6.514 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.817 -0.562 -9.523 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.743 0.583 -8.744 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -4.876 -2.317 -7.642 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -5.960 -1.271 -6.694 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -5.889 -1.107 -8.465 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.550 -1.463 -9.355 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.589 -1.267 -7.586 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.680 -2.430 -8.378 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.125 1.451 -4.942 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.913 1.551 -3.714 1.00 0.11 C ATOM 1173 C VAL A 72 -6.739 2.829 -3.717 1.00 0.12 C ATOM 1174 O VAL A 72 -7.912 2.829 -3.348 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.031 1.533 -2.453 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.883 1.682 -1.198 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.195 0.264 -2.390 1.00 0.12 C ATOM 0 H VAL A 72 -4.121 1.583 -4.816 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.566 0.679 -3.688 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.349 2.382 -2.506 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.240 1.667 -0.318 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.424 2.627 -1.236 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.595 0.858 -1.142 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.581 0.277 -1.489 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.853 -0.605 -2.368 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.551 0.209 -3.267 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.103 3.920 -4.132 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.751 5.223 -4.191 1.00 0.16 C ATOM 1189 C ILE A 73 -8.009 5.184 -5.055 1.00 0.19 C ATOM 1190 O ILE A 73 -9.096 5.517 -4.594 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.782 6.293 -4.742 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.796 6.729 -3.657 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.551 7.491 -5.279 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.685 7.624 -4.160 1.00 0.16 C ATOM 0 H ILE A 73 -5.129 3.925 -4.435 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.037 5.486 -3.173 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.219 5.854 -5.565 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.343 7.252 -2.872 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.356 5.841 -3.202 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.849 8.232 -5.662 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.212 7.168 -6.083 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.143 7.932 -4.477 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.028 7.890 -3.331 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.112 7.098 -4.923 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.113 8.530 -4.588 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.843 4.793 -6.312 1.00 0.18 N ATOM 1207 CA ASP A 74 -8.961 4.712 -7.251 1.00 0.21 C ATOM 1208 C ASP A 74 -10.114 3.895 -6.670 1.00 0.19 C ATOM 1209 O ASP A 74 -11.251 4.361 -6.628 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.497 4.087 -8.569 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.440 4.389 -9.717 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.395 3.610 -9.922 1.00 0.55 O ATOM 1213 OD2 ASP A 74 -9.224 5.405 -10.411 1.00 0.61 O ATOM 0 H ASP A 74 -6.942 4.525 -6.709 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.318 5.725 -7.435 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.502 4.458 -8.813 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.413 3.007 -8.446 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.822 2.670 -6.236 1.00 0.20 N ATOM 1219 CA TYR A 75 -10.844 1.811 -5.651 1.00 0.25 C ATOM 1220 C TYR A 75 -11.437 2.473 -4.416 1.00 0.27 C ATOM 1221 O TYR A 75 -12.612 2.290 -4.106 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.265 0.432 -5.345 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.026 -0.383 -6.601 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -10.999 -0.461 -7.588 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -8.834 -1.066 -6.805 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -10.797 -1.195 -8.739 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.624 -1.804 -7.955 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.608 -1.865 -8.919 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.401 -2.599 -10.064 1.00 1.24 O ATOM 0 H TYR A 75 -8.892 2.254 -6.279 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.654 1.669 -6.367 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.325 0.547 -4.805 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -10.947 -0.108 -4.688 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.933 0.064 -7.452 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.059 -1.020 -6.054 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.567 -1.244 -9.494 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -7.692 -2.331 -8.098 1.00 1.41 H new ATOM 0 HH TYR A 75 -8.511 -3.008 -10.034 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.615 3.242 -3.712 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.077 3.976 -2.542 1.00 0.30 C ATOM 1241 C LYS A 76 -12.030 5.071 -3.011 1.00 0.37 C ATOM 1242 O LYS A 76 -13.005 5.410 -2.340 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.886 4.597 -1.798 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.269 5.687 -0.810 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.305 6.859 -0.884 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.316 6.848 0.267 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.439 8.051 0.257 1.00 1.66 N ATOM 0 H LYS A 76 -9.627 3.373 -3.931 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.589 3.300 -1.857 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.354 3.809 -1.265 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.192 5.012 -2.529 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.282 6.032 -1.019 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -10.274 5.280 0.201 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.763 6.825 -1.829 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.867 7.793 -0.872 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -8.858 6.802 1.211 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.701 5.950 0.209 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -6.515 7.811 0.670 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -7.306 8.376 -0.722 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -7.882 8.808 0.816 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.717 5.608 -4.185 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.498 6.658 -4.811 1.00 0.36 C ATOM 1263 C GLU A 77 -13.797 6.102 -5.388 1.00 0.34 C ATOM 1264 O GLU A 77 -14.784 6.825 -5.534 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.654 7.298 -5.912 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.560 8.207 -5.380 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.916 9.677 -5.488 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -11.619 10.185 -4.590 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -10.492 10.318 -6.472 1.00 1.16 O ATOM 0 H GLU A 77 -10.905 5.321 -4.731 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.766 7.406 -4.065 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.201 6.512 -6.516 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.305 7.872 -6.571 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.364 7.961 -4.336 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.638 8.019 -5.930 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.787 4.812 -5.714 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.958 4.151 -6.276 1.00 0.33 C ATOM 1278 C ARG A 78 -15.815 3.536 -5.177 1.00 0.36 C ATOM 1279 O ARG A 78 -16.743 2.776 -5.455 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.526 3.058 -7.253 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.011 3.587 -8.578 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.594 2.452 -9.499 1.00 0.42 C ATOM 1283 NE ARG A 78 -13.305 2.924 -10.848 1.00 1.15 N ATOM 1284 CZ ARG A 78 -12.916 2.130 -11.842 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -12.763 0.829 -11.635 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -12.678 2.638 -13.043 1.00 2.37 N ATOM 0 H ARG A 78 -12.977 4.203 -5.597 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.548 4.901 -6.803 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.747 2.454 -6.787 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.372 2.397 -7.441 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.785 4.184 -9.060 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.162 4.248 -8.403 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.712 1.958 -9.090 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.388 1.706 -9.538 1.00 0.42 H new ATOM 0 HE ARG A 78 -13.407 3.920 -11.041 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -12.944 0.435 -10.712 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -12.465 0.223 -12.399 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -12.793 3.638 -13.206 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -12.380 2.029 -13.805 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.496 3.869 -3.931 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.227 3.338 -2.787 1.00 0.43 C ATOM 1302 C ASP A 79 -16.133 1.816 -2.773 1.00 0.40 C ATOM 1303 O ASP A 79 -16.981 1.130 -2.203 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.693 3.783 -2.832 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.427 3.499 -1.535 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.261 4.281 -0.576 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.169 2.496 -1.481 1.00 2.00 O ATOM 0 H ASP A 79 -14.736 4.504 -3.688 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.780 3.728 -1.873 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -17.739 4.851 -3.045 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.199 3.273 -3.651 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.086 1.300 -3.410 1.00 0.32 N ATOM 1313 CA LEU A 80 -14.862 -0.137 -3.487 1.00 0.32 C ATOM 1314 C LEU A 80 -14.231 -0.648 -2.197 1.00 0.31 C ATOM 1315 O LEU A 80 -14.300 -1.837 -1.884 1.00 0.50 O ATOM 1316 CB LEU A 80 -13.983 -0.473 -4.696 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.700 -1.241 -5.805 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.302 -0.276 -6.813 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.744 -2.193 -6.493 1.00 0.39 C ATOM 0 H LEU A 80 -14.377 1.861 -3.882 1.00 0.32 H new ATOM 0 HA LEU A 80 -15.823 -0.635 -3.614 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.587 0.454 -5.111 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.130 -1.061 -4.357 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.505 -1.823 -5.357 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.809 -0.838 -7.597 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.019 0.374 -6.311 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.510 0.329 -7.255 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.271 -2.732 -7.280 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -12.919 -1.629 -6.929 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.352 -2.904 -5.766 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.616 0.266 -1.454 1.00 0.18 N ATOM 1332 CA ILE A 81 -12.990 -0.064 -0.180 1.00 0.14 C ATOM 1333 C ILE A 81 -13.943 0.264 0.960 1.00 0.13 C ATOM 1334 O ILE A 81 -14.507 1.357 1.012 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.676 0.716 0.022 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.656 0.312 -1.047 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.115 0.467 1.420 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.393 1.149 -1.039 1.00 0.17 C ATOM 0 H ILE A 81 -13.538 1.249 -1.716 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.761 -1.130 -0.187 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.883 1.782 -0.077 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.387 -0.734 -0.902 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.124 0.388 -2.029 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.187 1.026 1.545 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.839 0.795 2.166 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -10.918 -0.597 1.549 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.721 0.802 -1.824 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.648 2.194 -1.216 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.900 1.054 -0.071 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.124 -0.686 1.868 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.016 -0.488 3.000 1.00 0.13 C ATOM 1352 C ASP A 82 -14.589 0.723 3.814 1.00 0.13 C ATOM 1353 O ASP A 82 -13.412 0.881 4.140 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.024 -1.725 3.892 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.345 -1.913 4.613 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.579 -1.205 5.615 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.143 -2.768 4.178 1.00 0.47 O ATOM 0 H ASP A 82 -13.667 -1.597 1.842 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.021 -0.318 2.613 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.816 -2.607 3.286 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.222 -1.645 4.625 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.552 1.578 4.138 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.277 2.770 4.924 1.00 0.16 C ATOM 1364 C ARG A 83 -14.702 2.387 6.281 1.00 0.18 C ATOM 1365 O ARG A 83 -14.185 3.231 7.011 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.545 3.609 5.094 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.943 4.364 3.834 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.947 5.466 3.505 1.00 0.63 C ATOM 1369 NE ARG A 83 -16.156 6.019 2.170 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.893 7.099 1.926 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.495 7.735 2.923 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -17.029 7.545 0.684 1.00 1.48 N ATOM 0 H ARG A 83 -16.529 1.466 3.868 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.540 3.372 4.393 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.366 2.957 5.393 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.394 4.323 5.904 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.007 3.669 2.997 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.935 4.796 3.966 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -16.033 6.263 4.244 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.934 5.071 3.578 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.712 5.551 1.380 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.393 7.396 3.880 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.060 8.563 2.733 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.568 7.060 -0.086 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.595 8.373 0.499 1.00 1.48 H new ATOM 1386 N SER A 84 -14.807 1.104 6.615 1.00 0.17 N ATOM 1387 CA SER A 84 -14.282 0.598 7.873 1.00 0.20 C ATOM 1388 C SER A 84 -12.768 0.775 7.911 1.00 0.19 C ATOM 1389 O SER A 84 -12.192 1.085 8.952 1.00 0.23 O ATOM 1390 CB SER A 84 -14.652 -0.876 8.044 1.00 0.22 C ATOM 1391 OG SER A 84 -14.270 -1.354 9.321 1.00 1.09 O ATOM 0 H SER A 84 -15.252 0.397 6.029 1.00 0.17 H new ATOM 0 HA SER A 84 -14.722 1.162 8.695 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.727 -1.002 7.912 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.164 -1.468 7.270 1.00 0.22 H new ATOM 0 HG SER A 84 -14.519 -2.298 9.405 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.133 0.577 6.756 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.686 0.729 6.639 1.00 0.16 C ATOM 1399 C ALA A 85 -10.288 2.179 6.851 1.00 0.19 C ATOM 1400 O ALA A 85 -9.290 2.472 7.510 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.208 0.256 5.274 1.00 0.14 C ATOM 0 H ALA A 85 -12.599 0.311 5.889 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.215 0.116 7.408 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.127 0.377 5.205 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.465 -0.795 5.143 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.690 0.847 4.495 1.00 0.14 H new ATOM 1407 N TYR A 86 -11.082 3.078 6.278 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.833 4.517 6.386 1.00 0.25 C ATOM 1409 C TYR A 86 -10.481 4.907 7.819 1.00 0.31 C ATOM 1410 O TYR A 86 -11.412 5.034 8.643 1.00 1.10 O ATOM 1411 CB TYR A 86 -12.060 5.311 5.926 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.303 5.284 4.431 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.299 4.090 3.727 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.549 6.458 3.729 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.535 4.061 2.366 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.783 6.438 2.367 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.776 5.237 1.691 1.00 0.34 C ATOM 1418 OH TYR A 86 -13.017 5.213 0.337 1.00 0.40 O ATOM 1419 OXT TYR A 86 -9.279 5.085 8.105 1.00 1.02 O ATOM 0 H TYR A 86 -11.908 2.837 5.731 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.988 4.756 5.741 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.942 4.917 6.432 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.946 6.347 6.244 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.108 3.166 4.252 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.557 7.401 4.256 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.531 3.121 1.834 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.970 7.359 1.835 1.00 0.44 H new ATOM 0 HH TYR A 86 -13.399 6.071 0.058 1.00 0.40 H new TER 1429 TYR A 86