USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 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 56 ASN : amide:sc= 1.17 K(o=3.6,f=-11!) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 174:sc= 2.44 (180deg=1.11) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -146:sc= 0.653 (180deg=0.0171) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0.411 USER MOD Set 3.1: A 39 ASN : amide:sc= -0.223 K(o=0.24,f=-0.44) USER MOD Set 3.2: A 70 TYR OH : rot 180:sc= 0.468 USER MOD Set 4.1: A 41 MET CE :methyl -113:sc= -1.44 (180deg=-2.06) USER MOD Set 4.2: A 49 MET CE :methyl -125:sc= -7.67! (180deg=-11!) USER MOD Single : A 14 ASN : amide:sc= -0.0041 K(o=-0.0041,f=-0.78) USER MOD Single : A 17 MET CE :methyl -161:sc=-0.000825 (180deg=-0.332) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 19 TYR OH : rot -5:sc= 1.26 USER MOD Single : A 26 SER OG : rot 86:sc= -0.223! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.035) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.134 USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= 1.32 (180deg=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 1.23 (180deg=-0.395) USER MOD Single : A 55 MET CE :methyl 142:sc= -0.566 (180deg=-1.1) USER MOD Single : A 58 SER OG : rot 82:sc= 0.13 USER MOD Single : A 62 THR OG1 : rot -80:sc= -0.497! USER MOD Single : A 65 THR OG1 : rot 81:sc= 0.0754 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 130:sc= 0.0205 USER MOD Single : A 85 SER OG : rot 75:sc= 0.371 USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.807) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.696 -0.524 -0.489 1.00 0.88 N ATOM 50 CA ASN A 14 10.935 0.327 0.418 1.00 0.81 C ATOM 51 C ASN A 14 9.481 0.381 -0.022 1.00 0.64 C ATOM 52 O ASN A 14 8.571 0.213 0.789 1.00 0.66 O ATOM 53 CB ASN A 14 11.515 1.744 0.486 1.00 0.96 C ATOM 54 CG ASN A 14 12.523 2.050 -0.604 1.00 1.62 C ATOM 55 OD1 ASN A 14 12.200 2.074 -1.799 1.00 2.24 O ATOM 56 ND2 ASN A 14 13.755 2.289 -0.188 1.00 2.24 N ATOM 0 HA ASN A 14 11.000 -0.106 1.416 1.00 0.81 H new ATOM 0 HB2 ASN A 14 10.698 2.463 0.424 1.00 0.96 H new ATOM 0 HB3 ASN A 14 11.991 1.885 1.457 1.00 0.96 H new ATOM 0 HD21 ASN A 14 14.488 2.505 -0.863 1.00 2.24 H new ATOM 0 HD22 ASN A 14 13.972 2.257 0.808 1.00 2.24 H new ATOM 63 N LEU A 15 9.278 0.591 -1.315 1.00 0.56 N ATOM 64 CA LEU A 15 7.944 0.645 -1.890 1.00 0.48 C ATOM 65 C LEU A 15 7.430 -0.758 -2.165 1.00 0.37 C ATOM 66 O LEU A 15 6.227 -1.020 -2.099 1.00 0.33 O ATOM 67 CB LEU A 15 7.966 1.463 -3.179 1.00 0.58 C ATOM 68 CG LEU A 15 6.755 2.370 -3.389 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.189 3.749 -3.855 1.00 0.91 C ATOM 70 CD2 LEU A 15 5.797 1.750 -4.390 1.00 0.60 C ATOM 0 H LEU A 15 10.030 0.728 -1.991 1.00 0.56 H new ATOM 0 HA LEU A 15 7.273 1.125 -1.178 1.00 0.48 H new ATOM 0 HB2 LEU A 15 8.867 2.077 -3.186 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.040 0.779 -4.024 1.00 0.58 H new ATOM 0 HG LEU A 15 6.240 2.479 -2.435 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.310 4.378 -3.998 1.00 0.91 H new ATOM 0 HD12 LEU A 15 7.839 4.199 -3.104 1.00 0.91 H new ATOM 0 HD13 LEU A 15 7.730 3.661 -4.797 1.00 0.91 H new ATOM 0 HD21 LEU A 15 4.939 2.408 -4.529 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.306 1.612 -5.344 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.456 0.784 -4.017 1.00 0.60 H new ATOM 82 N ARG A 16 8.347 -1.661 -2.469 1.00 0.36 N ATOM 83 CA ARG A 16 7.987 -3.037 -2.748 1.00 0.33 C ATOM 84 C ARG A 16 7.416 -3.705 -1.506 1.00 0.27 C ATOM 85 O ARG A 16 6.466 -4.480 -1.603 1.00 0.28 O ATOM 86 CB ARG A 16 9.194 -3.812 -3.252 1.00 0.40 C ATOM 87 CG ARG A 16 8.866 -4.806 -4.337 1.00 0.65 C ATOM 88 CD ARG A 16 7.843 -4.258 -5.322 1.00 1.29 C ATOM 89 NE ARG A 16 6.987 -5.321 -5.849 1.00 2.05 N ATOM 90 CZ ARG A 16 6.695 -5.464 -7.137 1.00 2.78 C ATOM 91 NH1 ARG A 16 7.124 -4.578 -8.026 1.00 3.11 N ATOM 92 NH2 ARG A 16 5.962 -6.494 -7.536 1.00 3.67 N ATOM 0 H ARG A 16 9.346 -1.464 -2.528 1.00 0.36 H new ATOM 0 HA ARG A 16 7.222 -3.038 -3.525 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.935 -3.108 -3.629 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.652 -4.339 -2.415 1.00 0.40 H new ATOM 0 HG2 ARG A 16 9.778 -5.073 -4.872 1.00 0.65 H new ATOM 0 HG3 ARG A 16 8.481 -5.721 -3.886 1.00 0.65 H new ATOM 0 HD2 ARG A 16 7.228 -3.505 -4.829 1.00 1.29 H new ATOM 0 HD3 ARG A 16 8.357 -3.761 -6.145 1.00 1.29 H new ATOM 0 HE ARG A 16 6.592 -5.991 -5.189 1.00 2.05 H new ATOM 0 HH11 ARG A 16 7.682 -3.780 -7.722 1.00 3.11 H new ATOM 0 HH12 ARG A 16 6.896 -4.695 -9.013 1.00 3.11 H new ATOM 0 HH21 ARG A 16 5.624 -7.174 -6.855 1.00 3.67 H new ATOM 0 HH22 ARG A 16 5.736 -6.607 -8.524 1.00 3.67 H new ATOM 106 N MET A 17 7.984 -3.389 -0.343 1.00 0.28 N ATOM 107 CA MET A 17 7.502 -3.949 0.913 1.00 0.32 C ATOM 108 C MET A 17 6.057 -3.526 1.130 1.00 0.25 C ATOM 109 O MET A 17 5.212 -4.326 1.530 1.00 0.27 O ATOM 110 CB MET A 17 8.365 -3.482 2.086 1.00 0.45 C ATOM 111 CG MET A 17 8.085 -4.232 3.383 1.00 0.81 C ATOM 112 SD MET A 17 8.064 -3.149 4.826 1.00 1.96 S ATOM 113 CE MET A 17 9.654 -2.335 4.661 1.00 2.93 C ATOM 0 H MET A 17 8.774 -2.751 -0.247 1.00 0.28 H new ATOM 0 HA MET A 17 7.564 -5.036 0.859 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.416 -3.604 1.825 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.198 -2.417 2.248 1.00 0.45 H new ATOM 0 HG2 MET A 17 7.125 -4.741 3.303 1.00 0.81 H new ATOM 0 HG3 MET A 17 8.844 -5.002 3.523 1.00 0.81 H new ATOM 0 HE1 MET A 17 9.942 -1.902 5.619 1.00 2.93 H new ATOM 0 HE2 MET A 17 10.405 -3.062 4.351 1.00 2.93 H new ATOM 0 HE3 MET A 17 9.583 -1.546 3.913 1.00 2.93 H new ATOM 123 N THR A 18 5.785 -2.266 0.829 1.00 0.21 N ATOM 124 CA THR A 18 4.451 -1.702 0.953 1.00 0.20 C ATOM 125 C THR A 18 3.478 -2.406 0.000 1.00 0.19 C ATOM 126 O THR A 18 2.391 -2.823 0.403 1.00 0.23 O ATOM 127 CB THR A 18 4.489 -0.196 0.638 1.00 0.27 C ATOM 128 OG1 THR A 18 5.718 0.363 1.112 1.00 0.38 O ATOM 129 CG2 THR A 18 3.324 0.533 1.279 1.00 0.30 C ATOM 0 H THR A 18 6.484 -1.605 0.491 1.00 0.21 H new ATOM 0 HA THR A 18 4.106 -1.849 1.976 1.00 0.20 H new ATOM 0 HB THR A 18 4.415 -0.075 -0.443 1.00 0.27 H new ATOM 0 HG1 THR A 18 5.741 1.321 0.909 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.381 1.594 1.037 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.387 0.124 0.901 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.366 0.405 2.361 1.00 0.30 H new ATOM 137 N TYR A 19 3.890 -2.537 -1.257 1.00 0.21 N ATOM 138 CA TYR A 19 3.079 -3.188 -2.287 1.00 0.28 C ATOM 139 C TYR A 19 2.816 -4.661 -1.935 1.00 0.31 C ATOM 140 O TYR A 19 1.699 -5.159 -2.086 1.00 0.36 O ATOM 141 CB TYR A 19 3.802 -3.079 -3.636 1.00 0.35 C ATOM 142 CG TYR A 19 3.117 -3.783 -4.795 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.983 -3.242 -5.393 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.591 -5.000 -5.273 1.00 0.52 C ATOM 145 CE1 TYR A 19 1.347 -3.892 -6.434 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.958 -5.652 -6.317 1.00 0.59 C ATOM 147 CZ TYR A 19 1.891 -5.049 -6.949 1.00 0.52 C ATOM 148 OH TYR A 19 1.196 -5.750 -7.916 1.00 0.61 O ATOM 0 H TYR A 19 4.791 -2.197 -1.592 1.00 0.21 H new ATOM 0 HA TYR A 19 2.113 -2.687 -2.348 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.913 -2.024 -3.887 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.807 -3.488 -3.526 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.594 -2.299 -5.038 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.467 -5.443 -4.822 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.429 -3.495 -6.842 1.00 0.39 H new ATOM 0 HE2 TYR A 19 3.298 -6.627 -6.635 1.00 0.59 H new ATOM 0 HH TYR A 19 0.319 -5.336 -8.053 1.00 0.61 H new ATOM 158 N GLU A 20 3.857 -5.344 -1.466 1.00 0.32 N ATOM 159 CA GLU A 20 3.762 -6.747 -1.089 1.00 0.40 C ATOM 160 C GLU A 20 2.906 -6.926 0.164 1.00 0.35 C ATOM 161 O GLU A 20 2.090 -7.848 0.247 1.00 0.35 O ATOM 162 CB GLU A 20 5.156 -7.316 -0.847 1.00 0.51 C ATOM 163 CG GLU A 20 5.622 -8.292 -1.917 1.00 1.21 C ATOM 164 CD GLU A 20 5.095 -7.980 -3.310 1.00 1.65 C ATOM 165 OE1 GLU A 20 3.969 -8.419 -3.646 1.00 2.35 O ATOM 166 OE2 GLU A 20 5.822 -7.326 -4.095 1.00 1.93 O ATOM 0 H GLU A 20 4.785 -4.941 -1.338 1.00 0.32 H new ATOM 0 HA GLU A 20 3.285 -7.286 -1.908 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.868 -6.493 -0.787 1.00 0.51 H new ATOM 0 HB3 GLU A 20 5.169 -7.820 0.120 1.00 0.51 H new ATOM 0 HG2 GLU A 20 6.712 -8.293 -1.944 1.00 1.21 H new ATOM 0 HG3 GLU A 20 5.309 -9.298 -1.638 1.00 1.21 H new ATOM 173 N ARG A 21 3.092 -6.041 1.140 1.00 0.33 N ATOM 174 CA ARG A 21 2.339 -6.102 2.389 1.00 0.32 C ATOM 175 C ARG A 21 0.858 -5.851 2.145 1.00 0.26 C ATOM 176 O ARG A 21 -0.003 -6.508 2.723 1.00 0.29 O ATOM 177 CB ARG A 21 2.857 -5.049 3.360 1.00 0.34 C ATOM 178 CG ARG A 21 2.254 -5.161 4.740 1.00 0.48 C ATOM 179 CD ARG A 21 3.331 -5.213 5.797 1.00 0.87 C ATOM 180 NE ARG A 21 3.372 -6.500 6.491 1.00 1.73 N ATOM 181 CZ ARG A 21 3.514 -6.619 7.810 1.00 2.60 C ATOM 182 NH1 ARG A 21 3.520 -5.546 8.585 1.00 2.99 N ATOM 183 NH2 ARG A 21 3.625 -7.825 8.359 1.00 3.57 N ATOM 0 H ARG A 21 3.760 -5.271 1.089 1.00 0.33 H new ATOM 0 HA ARG A 21 2.469 -7.099 2.809 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.941 -5.137 3.436 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.645 -4.058 2.958 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.599 -4.310 4.925 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.637 -6.057 4.800 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.299 -5.022 5.334 1.00 0.87 H new ATOM 0 HD3 ARG A 21 3.162 -4.418 6.523 1.00 0.87 H new ATOM 0 HE ARG A 21 3.287 -7.351 5.936 1.00 1.73 H new ATOM 0 HH11 ARG A 21 3.415 -4.619 8.173 1.00 2.99 H new ATOM 0 HH12 ARG A 21 3.629 -5.646 9.594 1.00 2.99 H new ATOM 0 HH21 ARG A 21 3.601 -8.658 7.770 1.00 3.57 H new ATOM 0 HH22 ARG A 21 3.734 -7.918 9.369 1.00 3.57 H new ATOM 197 N LEU A 22 0.574 -4.899 1.272 1.00 0.22 N ATOM 198 CA LEU A 22 -0.796 -4.561 0.938 1.00 0.20 C ATOM 199 C LEU A 22 -1.445 -5.699 0.174 1.00 0.23 C ATOM 200 O LEU A 22 -2.616 -5.994 0.367 1.00 0.24 O ATOM 201 CB LEU A 22 -0.813 -3.287 0.096 1.00 0.22 C ATOM 202 CG LEU A 22 -0.966 -1.993 0.880 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.177 -0.878 0.208 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.435 -1.624 0.990 1.00 0.33 C ATOM 0 H LEU A 22 1.277 -4.346 0.782 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.359 -4.395 1.856 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.112 -3.238 -0.478 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.630 -3.356 -0.622 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.570 -2.135 1.886 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.293 0.044 0.777 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.878 -1.150 0.170 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.550 -0.728 -0.805 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.536 -0.696 1.553 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.852 -1.490 -0.008 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.973 -2.421 1.504 1.00 0.33 H new ATOM 216 N ARG A 23 -0.666 -6.352 -0.681 1.00 0.27 N ATOM 217 CA ARG A 23 -1.163 -7.469 -1.468 1.00 0.32 C ATOM 218 C ARG A 23 -1.585 -8.617 -0.559 1.00 0.31 C ATOM 219 O ARG A 23 -2.664 -9.196 -0.717 1.00 0.34 O ATOM 220 CB ARG A 23 -0.076 -7.942 -2.435 1.00 0.39 C ATOM 221 CG ARG A 23 -0.606 -8.294 -3.807 1.00 0.82 C ATOM 222 CD ARG A 23 0.157 -7.556 -4.898 1.00 1.40 C ATOM 223 NE ARG A 23 0.190 -8.306 -6.143 1.00 1.98 N ATOM 224 CZ ARG A 23 1.231 -9.017 -6.563 1.00 2.61 C ATOM 225 NH1 ARG A 23 2.362 -9.035 -5.868 1.00 3.01 N ATOM 226 NH2 ARG A 23 1.149 -9.698 -7.696 1.00 3.33 N ATOM 0 H ARG A 23 0.315 -6.124 -0.845 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.033 -7.139 -2.035 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.677 -7.160 -2.534 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.423 -8.814 -2.011 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -0.525 -9.369 -3.966 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.665 -8.042 -3.866 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -0.307 -6.585 -5.072 1.00 1.40 H new ATOM 0 HD3 ARG A 23 1.176 -7.366 -4.562 1.00 1.40 H new ATOM 0 HE ARG A 23 -0.641 -8.285 -6.733 1.00 1.98 H new ATOM 0 HH11 ARG A 23 2.438 -8.500 -5.003 1.00 3.01 H new ATOM 0 HH12 ARG A 23 3.155 -9.584 -6.199 1.00 3.01 H new ATOM 0 HH21 ARG A 23 0.289 -9.676 -8.243 1.00 3.33 H new ATOM 0 HH22 ARG A 23 1.946 -10.245 -8.021 1.00 3.33 H new ATOM 240 N GLU A 24 -0.736 -8.921 0.411 1.00 0.31 N ATOM 241 CA GLU A 24 -1.019 -9.988 1.357 1.00 0.33 C ATOM 242 C GLU A 24 -2.190 -9.621 2.261 1.00 0.28 C ATOM 243 O GLU A 24 -2.981 -10.484 2.651 1.00 0.30 O ATOM 244 CB GLU A 24 0.217 -10.285 2.213 1.00 0.38 C ATOM 245 CG GLU A 24 0.127 -11.600 2.967 1.00 0.61 C ATOM 246 CD GLU A 24 0.748 -11.551 4.353 1.00 1.63 C ATOM 247 OE1 GLU A 24 1.032 -10.430 4.834 1.00 2.36 O ATOM 248 OE2 GLU A 24 0.968 -12.620 4.961 1.00 2.24 O ATOM 0 H GLU A 24 0.153 -8.444 0.563 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.284 -10.878 0.786 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.098 -10.302 1.572 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.358 -9.474 2.927 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -0.921 -11.886 3.058 1.00 0.61 H new ATOM 0 HG3 GLU A 24 0.621 -12.378 2.384 1.00 0.61 H new ATOM 255 N LEU A 25 -2.296 -8.341 2.591 1.00 0.24 N ATOM 256 CA LEU A 25 -3.362 -7.868 3.455 1.00 0.22 C ATOM 257 C LEU A 25 -4.688 -7.833 2.691 1.00 0.18 C ATOM 258 O LEU A 25 -5.745 -8.057 3.272 1.00 0.20 O ATOM 259 CB LEU A 25 -3.022 -6.473 3.999 1.00 0.22 C ATOM 260 CG LEU A 25 -3.303 -6.248 5.496 1.00 0.25 C ATOM 261 CD1 LEU A 25 -3.854 -4.847 5.735 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.244 -7.308 6.046 1.00 0.28 C ATOM 0 H LEU A 25 -1.656 -7.614 2.272 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.464 -8.555 4.295 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -1.965 -6.280 3.815 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.585 -5.735 3.428 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.359 -6.338 6.033 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.046 -4.708 6.799 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.127 -4.108 5.398 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -4.783 -4.722 5.179 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.423 -7.122 7.105 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.190 -7.270 5.506 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.795 -8.293 5.922 1.00 0.28 H new ATOM 274 N SER A 26 -4.627 -7.568 1.388 1.00 0.17 N ATOM 275 CA SER A 26 -5.832 -7.523 0.565 1.00 0.16 C ATOM 276 C SER A 26 -6.452 -8.910 0.470 1.00 0.19 C ATOM 277 O SER A 26 -7.673 -9.058 0.465 1.00 0.22 O ATOM 278 CB SER A 26 -5.516 -7.000 -0.849 1.00 0.19 C ATOM 279 OG SER A 26 -4.874 -5.743 -0.806 1.00 0.86 O ATOM 0 H SER A 26 -3.761 -7.382 0.882 1.00 0.17 H new ATOM 0 HA SER A 26 -6.538 -6.840 1.037 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.880 -7.716 -1.369 1.00 0.19 H new ATOM 0 HB3 SER A 26 -6.439 -6.918 -1.422 1.00 0.19 H new ATOM 0 HG SER A 26 -3.908 -5.872 -0.708 1.00 0.86 H new ATOM 285 N LEU A 27 -5.599 -9.921 0.413 1.00 0.23 N ATOM 286 CA LEU A 27 -6.058 -11.298 0.328 1.00 0.28 C ATOM 287 C LEU A 27 -6.592 -11.770 1.675 1.00 0.29 C ATOM 288 O LEU A 27 -7.506 -12.592 1.742 1.00 0.34 O ATOM 289 CB LEU A 27 -4.926 -12.217 -0.133 1.00 0.33 C ATOM 290 CG LEU A 27 -4.977 -12.639 -1.606 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.571 -11.479 -2.506 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.079 -13.847 -1.837 1.00 0.60 C ATOM 0 H LEU A 27 -4.585 -9.813 0.424 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.864 -11.340 -0.404 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.976 -11.715 0.050 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.936 -13.115 0.485 1.00 0.33 H new ATOM 0 HG LEU A 27 -6.000 -12.919 -1.857 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.613 -11.795 -3.548 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.254 -10.643 -2.353 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.556 -11.167 -2.262 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.123 -14.138 -2.887 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.052 -13.593 -1.574 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.418 -14.676 -1.216 1.00 0.60 H new ATOM 304 N ASN A 28 -6.010 -11.247 2.747 1.00 0.28 N ATOM 305 CA ASN A 28 -6.403 -11.609 4.108 1.00 0.35 C ATOM 306 C ASN A 28 -7.703 -10.923 4.524 1.00 0.35 C ATOM 307 O ASN A 28 -8.658 -11.584 4.917 1.00 0.42 O ATOM 308 CB ASN A 28 -5.285 -11.236 5.086 1.00 0.41 C ATOM 309 CG ASN A 28 -4.875 -12.390 5.982 1.00 0.84 C ATOM 310 OD1 ASN A 28 -5.529 -12.674 6.989 1.00 1.14 O ATOM 311 ND2 ASN A 28 -3.797 -13.071 5.623 1.00 1.31 N ATOM 0 H ASN A 28 -5.255 -10.563 2.701 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.572 -12.686 4.131 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.417 -10.893 4.524 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.614 -10.401 5.705 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -3.482 -13.861 6.186 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.282 -12.806 4.783 1.00 1.31 H new ATOM 318 N LEU A 29 -7.727 -9.600 4.442 1.00 0.33 N ATOM 319 CA LEU A 29 -8.902 -8.830 4.821 1.00 0.38 C ATOM 320 C LEU A 29 -10.081 -9.126 3.904 1.00 0.40 C ATOM 321 O LEU A 29 -11.217 -9.238 4.359 1.00 0.49 O ATOM 322 CB LEU A 29 -8.595 -7.335 4.772 1.00 0.40 C ATOM 323 CG LEU A 29 -7.720 -6.813 5.898 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.248 -5.406 5.589 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.473 -6.848 7.208 1.00 0.39 C ATOM 0 H LEU A 29 -6.942 -9.036 4.115 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.168 -9.120 5.837 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.108 -7.112 3.823 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.537 -6.787 4.783 1.00 0.40 H new ATOM 0 HG LEU A 29 -6.845 -7.457 5.988 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.622 -5.045 6.405 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.672 -5.411 4.664 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.111 -4.749 5.476 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -7.833 -6.471 8.006 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.364 -6.225 7.132 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.766 -7.874 7.432 1.00 0.39 H new ATOM 337 N GLY A 30 -9.804 -9.236 2.610 1.00 0.35 N ATOM 338 CA GLY A 30 -10.853 -9.503 1.647 1.00 0.43 C ATOM 339 C GLY A 30 -11.522 -10.855 1.850 1.00 0.53 C ATOM 340 O GLY A 30 -12.746 -10.952 1.781 1.00 0.65 O ATOM 0 H GLY A 30 -8.870 -9.145 2.211 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.607 -8.718 1.713 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.434 -9.459 0.642 1.00 0.43 H new ATOM 344 N ASN A 31 -10.727 -11.897 2.106 1.00 0.53 N ATOM 345 CA ASN A 31 -11.274 -13.237 2.312 1.00 0.66 C ATOM 346 C ASN A 31 -11.861 -13.393 3.710 1.00 0.71 C ATOM 347 O ASN A 31 -12.593 -14.342 3.984 1.00 0.84 O ATOM 348 CB ASN A 31 -10.196 -14.295 2.068 1.00 0.70 C ATOM 349 CG ASN A 31 -10.775 -15.694 1.980 1.00 1.17 C ATOM 350 OD1 ASN A 31 -10.359 -16.592 2.708 1.00 1.94 O ATOM 351 ND2 ASN A 31 -11.732 -15.899 1.082 1.00 1.52 N ATOM 0 H ASN A 31 -9.711 -11.838 2.175 1.00 0.53 H new ATOM 0 HA ASN A 31 -12.082 -13.380 1.594 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.666 -14.064 1.144 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.463 -14.257 2.874 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -12.146 -16.826 0.980 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -12.053 -15.130 0.494 1.00 1.52 H new ATOM 358 N ARG A 32 -11.559 -12.452 4.592 1.00 0.66 N ATOM 359 CA ARG A 32 -12.088 -12.499 5.945 1.00 0.77 C ATOM 360 C ARG A 32 -13.359 -11.667 6.052 1.00 0.86 C ATOM 361 O ARG A 32 -14.025 -11.660 7.085 1.00 1.01 O ATOM 362 CB ARG A 32 -11.055 -12.006 6.956 1.00 0.76 C ATOM 363 CG ARG A 32 -11.062 -12.789 8.257 1.00 0.91 C ATOM 364 CD ARG A 32 -10.199 -12.119 9.309 1.00 1.14 C ATOM 365 NE ARG A 32 -9.039 -12.932 9.653 1.00 2.09 N ATOM 366 CZ ARG A 32 -8.639 -13.182 10.898 1.00 2.75 C ATOM 367 NH1 ARG A 32 -9.317 -12.689 11.932 1.00 2.70 N ATOM 368 NH2 ARG A 32 -7.571 -13.941 11.105 1.00 3.82 N ATOM 0 H ARG A 32 -10.955 -11.653 4.397 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.325 -13.538 6.174 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.063 -12.067 6.509 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.243 -10.954 7.173 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.084 -12.878 8.625 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -10.699 -13.801 8.077 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -9.867 -11.148 8.942 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -10.793 -11.936 10.204 1.00 1.14 H new ATOM 0 HE ARG A 32 -8.498 -13.336 8.889 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -10.146 -12.117 11.772 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -9.007 -12.883 12.884 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -7.060 -14.330 10.312 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -7.260 -14.136 12.057 1.00 3.82 H new ATOM 382 N MET A 33 -13.702 -10.983 4.973 1.00 0.83 N ATOM 383 CA MET A 33 -14.900 -10.169 4.936 1.00 0.96 C ATOM 384 C MET A 33 -16.097 -11.040 4.597 1.00 1.17 C ATOM 385 O MET A 33 -15.941 -12.131 4.047 1.00 1.55 O ATOM 386 CB MET A 33 -14.765 -9.049 3.904 1.00 0.80 C ATOM 387 CG MET A 33 -15.330 -7.723 4.384 1.00 0.95 C ATOM 388 SD MET A 33 -14.293 -6.315 3.944 1.00 1.18 S ATOM 389 CE MET A 33 -15.519 -5.012 3.882 1.00 1.84 C ATOM 0 H MET A 33 -13.162 -10.977 4.107 1.00 0.83 H new ATOM 0 HA MET A 33 -15.043 -9.716 5.917 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.712 -8.919 3.654 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.276 -9.344 2.988 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.324 -7.582 3.959 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.449 -7.756 5.467 1.00 0.95 H new ATOM 0 HE1 MET A 33 -15.036 -4.070 3.621 1.00 1.84 H new ATOM 0 HE2 MET A 33 -16.270 -5.255 3.131 1.00 1.84 H new ATOM 0 HE3 MET A 33 -15.998 -4.916 4.856 1.00 1.84 H new ATOM 399 N VAL A 34 -17.287 -10.567 4.931 1.00 1.22 N ATOM 400 CA VAL A 34 -18.509 -11.313 4.654 1.00 1.41 C ATOM 401 C VAL A 34 -19.592 -10.385 4.097 1.00 1.54 C ATOM 402 O VAL A 34 -20.107 -9.519 4.810 1.00 1.66 O ATOM 403 CB VAL A 34 -19.051 -12.027 5.913 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.262 -12.875 5.563 1.00 1.87 C ATOM 405 CG2 VAL A 34 -17.973 -12.878 6.572 1.00 1.64 C ATOM 0 H VAL A 34 -17.435 -9.670 5.394 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.255 -12.071 3.913 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.356 -11.263 6.628 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.631 -13.371 6.461 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -21.046 -12.238 5.152 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.980 -13.625 4.824 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.385 -13.367 7.455 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.625 -13.633 5.868 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.137 -12.243 6.866 1.00 1.64 H new ATOM 415 N PRO A 35 -19.958 -10.552 2.811 1.00 1.58 N ATOM 416 CA PRO A 35 -19.375 -11.572 1.921 1.00 1.51 C ATOM 417 C PRO A 35 -17.934 -11.247 1.541 1.00 1.32 C ATOM 418 O PRO A 35 -17.560 -10.076 1.464 1.00 1.30 O ATOM 419 CB PRO A 35 -20.275 -11.524 0.669 1.00 1.71 C ATOM 420 CG PRO A 35 -21.456 -10.707 1.054 1.00 1.86 C ATOM 421 CD PRO A 35 -20.968 -9.752 2.105 1.00 1.75 C ATOM 0 HA PRO A 35 -19.339 -12.551 2.399 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -19.749 -11.078 -0.175 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.575 -12.526 0.364 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -21.857 -10.170 0.194 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -22.258 -11.336 1.440 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.539 -8.850 1.668 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.771 -9.433 2.769 1.00 1.75 H new ATOM 429 N PRO A 36 -17.106 -12.282 1.306 1.00 1.22 N ATOM 430 CA PRO A 36 -15.703 -12.102 0.946 1.00 1.08 C ATOM 431 C PRO A 36 -15.528 -11.263 -0.307 1.00 1.17 C ATOM 432 O PRO A 36 -16.166 -11.508 -1.334 1.00 1.42 O ATOM 433 CB PRO A 36 -15.201 -13.528 0.718 1.00 1.12 C ATOM 434 CG PRO A 36 -16.129 -14.374 1.510 1.00 1.14 C ATOM 435 CD PRO A 36 -17.467 -13.707 1.386 1.00 1.27 C ATOM 0 HA PRO A 36 -15.153 -11.567 1.720 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -15.224 -13.794 -0.339 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -14.171 -13.646 1.054 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -16.159 -15.393 1.125 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.814 -14.436 2.552 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -18.006 -14.040 0.499 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -18.106 -13.916 2.244 1.00 1.27 H new ATOM 443 N VAL A 37 -14.662 -10.274 -0.217 1.00 0.99 N ATOM 444 CA VAL A 37 -14.395 -9.397 -1.336 1.00 1.08 C ATOM 445 C VAL A 37 -13.376 -10.040 -2.250 1.00 1.24 C ATOM 446 O VAL A 37 -12.266 -10.357 -1.814 1.00 2.02 O ATOM 447 CB VAL A 37 -13.851 -8.034 -0.885 1.00 0.81 C ATOM 448 CG1 VAL A 37 -14.253 -6.949 -1.867 1.00 0.95 C ATOM 449 CG2 VAL A 37 -14.339 -7.706 0.513 1.00 0.81 C ATOM 0 H VAL A 37 -14.129 -10.058 0.625 1.00 0.99 H new ATOM 0 HA VAL A 37 -15.340 -9.236 -1.855 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.762 -8.084 -0.863 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.859 -5.990 -1.531 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.849 -7.182 -2.852 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -15.340 -6.894 -1.924 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.945 -6.737 0.818 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -15.428 -7.673 0.520 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.995 -8.472 1.208 1.00 0.81 H new ATOM 459 N GLY A 38 -13.744 -10.232 -3.505 1.00 1.18 N ATOM 460 CA GLY A 38 -12.834 -10.830 -4.458 1.00 1.27 C ATOM 461 C GLY A 38 -11.606 -9.979 -4.627 1.00 1.09 C ATOM 462 O GLY A 38 -10.475 -10.437 -4.446 1.00 1.23 O ATOM 0 H GLY A 38 -14.659 -9.984 -3.882 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -12.548 -11.826 -4.120 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -13.334 -10.951 -5.419 1.00 1.27 H new ATOM 466 N ASN A 39 -11.847 -8.716 -4.933 1.00 0.92 N ATOM 467 CA ASN A 39 -10.779 -7.754 -5.095 1.00 0.82 C ATOM 468 C ASN A 39 -10.882 -6.690 -4.003 1.00 0.64 C ATOM 469 O ASN A 39 -11.605 -5.699 -4.116 1.00 0.74 O ATOM 470 CB ASN A 39 -10.785 -7.152 -6.517 1.00 0.99 C ATOM 471 CG ASN A 39 -11.890 -6.135 -6.777 1.00 1.44 C ATOM 472 OD1 ASN A 39 -13.080 -6.436 -6.673 1.00 2.12 O ATOM 473 ND2 ASN A 39 -11.491 -4.919 -7.131 1.00 2.13 N ATOM 0 H ASN A 39 -12.782 -8.334 -5.075 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.817 -8.254 -4.983 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -9.822 -6.675 -6.698 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -10.880 -7.963 -7.239 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -12.180 -4.193 -7.328 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -10.495 -4.711 -7.206 1.00 2.13 H new ATOM 480 N PHE A 40 -10.155 -6.923 -2.913 1.00 0.46 N ATOM 481 CA PHE A 40 -10.155 -5.998 -1.783 1.00 0.32 C ATOM 482 C PHE A 40 -9.647 -4.647 -2.253 1.00 0.28 C ATOM 483 O PHE A 40 -10.345 -3.638 -2.166 1.00 0.52 O ATOM 484 CB PHE A 40 -9.265 -6.538 -0.659 1.00 0.24 C ATOM 485 CG PHE A 40 -9.346 -5.769 0.638 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.578 -5.456 1.197 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.197 -5.354 1.296 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.663 -4.746 2.379 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.276 -4.643 2.478 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.482 -4.363 3.038 1.00 0.33 C ATOM 0 H PHE A 40 -9.560 -7.742 -2.788 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.168 -5.892 -1.396 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.536 -7.576 -0.467 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.230 -6.537 -1.002 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.483 -5.772 0.700 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.229 -5.590 0.879 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.627 -4.488 2.792 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.371 -4.307 2.961 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.533 -3.848 3.986 1.00 0.33 H new ATOM 500 N MET A 41 -8.443 -4.653 -2.792 1.00 0.22 N ATOM 501 CA MET A 41 -7.837 -3.460 -3.328 1.00 0.18 C ATOM 502 C MET A 41 -7.219 -3.787 -4.678 1.00 0.20 C ATOM 503 O MET A 41 -6.446 -4.739 -4.797 1.00 0.24 O ATOM 504 CB MET A 41 -6.793 -2.917 -2.363 1.00 0.17 C ATOM 505 CG MET A 41 -6.669 -1.402 -2.376 1.00 0.21 C ATOM 506 SD MET A 41 -8.270 -0.565 -2.440 1.00 0.28 S ATOM 507 CE MET A 41 -8.339 0.179 -0.813 1.00 0.25 C ATOM 0 H MET A 41 -7.861 -5.487 -2.868 1.00 0.22 H new ATOM 0 HA MET A 41 -8.594 -2.687 -3.461 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.042 -3.242 -1.353 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.825 -3.353 -2.608 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.131 -1.079 -1.485 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.072 -1.099 -3.236 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.132 -0.291 -0.231 1.00 0.25 H new ATOM 0 HE2 MET A 41 -7.384 0.036 -0.307 1.00 0.25 H new ATOM 0 HE3 MET A 41 -8.542 1.246 -0.909 1.00 0.25 H new ATOM 517 N PRO A 42 -7.581 -3.028 -5.720 1.00 0.20 N ATOM 518 CA PRO A 42 -7.080 -3.256 -7.076 1.00 0.24 C ATOM 519 C PRO A 42 -5.577 -3.051 -7.179 1.00 0.21 C ATOM 520 O PRO A 42 -5.002 -2.231 -6.459 1.00 0.20 O ATOM 521 CB PRO A 42 -7.822 -2.222 -7.925 1.00 0.29 C ATOM 522 CG PRO A 42 -8.983 -1.801 -7.095 1.00 0.27 C ATOM 523 CD PRO A 42 -8.523 -1.906 -5.671 1.00 0.23 C ATOM 0 HA PRO A 42 -7.251 -4.283 -7.399 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.180 -1.374 -8.164 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.149 -2.651 -8.872 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.286 -0.782 -7.334 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.846 -2.441 -7.276 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.043 -0.988 -5.332 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.352 -2.102 -4.991 1.00 0.23 H new ATOM 531 N ASP A 43 -4.958 -3.801 -8.085 1.00 0.23 N ATOM 532 CA ASP A 43 -3.515 -3.738 -8.315 1.00 0.23 C ATOM 533 C ASP A 43 -3.068 -2.302 -8.560 1.00 0.22 C ATOM 534 O ASP A 43 -2.004 -1.885 -8.109 1.00 0.23 O ATOM 535 CB ASP A 43 -3.135 -4.620 -9.520 1.00 0.29 C ATOM 536 CG ASP A 43 -1.715 -5.164 -9.444 1.00 0.78 C ATOM 537 OD1 ASP A 43 -1.301 -5.618 -8.353 1.00 1.51 O ATOM 538 OD2 ASP A 43 -0.998 -5.117 -10.465 1.00 1.08 O ATOM 0 H ASP A 43 -5.442 -4.471 -8.683 1.00 0.23 H new ATOM 0 HA ASP A 43 -3.008 -4.109 -7.424 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -3.833 -5.454 -9.585 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.246 -4.039 -10.436 1.00 0.29 H new ATOM 543 N SER A 44 -3.902 -1.551 -9.266 1.00 0.23 N ATOM 544 CA SER A 44 -3.616 -0.167 -9.576 1.00 0.25 C ATOM 545 C SER A 44 -3.554 0.678 -8.308 1.00 0.23 C ATOM 546 O SER A 44 -2.580 1.398 -8.067 1.00 0.26 O ATOM 547 CB SER A 44 -4.694 0.370 -10.524 1.00 0.32 C ATOM 548 OG SER A 44 -5.789 -0.534 -10.612 1.00 0.57 O ATOM 0 H SER A 44 -4.791 -1.887 -9.636 1.00 0.23 H new ATOM 0 HA SER A 44 -2.641 -0.108 -10.060 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.045 1.339 -10.170 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.267 0.528 -11.514 1.00 0.32 H new ATOM 0 HG SER A 44 -6.465 -0.170 -11.221 1.00 0.57 H new ATOM 554 N ILE A 45 -4.602 0.574 -7.496 1.00 0.21 N ATOM 555 CA ILE A 45 -4.687 1.325 -6.253 1.00 0.21 C ATOM 556 C ILE A 45 -3.595 0.910 -5.280 1.00 0.17 C ATOM 557 O ILE A 45 -3.026 1.749 -4.583 1.00 0.18 O ATOM 558 CB ILE A 45 -6.069 1.162 -5.570 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.213 1.401 -6.570 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.185 2.123 -4.400 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.322 2.835 -7.062 1.00 0.34 C ATOM 0 H ILE A 45 -5.406 -0.026 -7.680 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.552 2.374 -6.518 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.151 0.139 -5.203 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -7.073 0.744 -7.428 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.155 1.117 -6.101 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.159 2.002 -3.925 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.399 1.910 -3.675 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.080 3.147 -4.759 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.153 2.917 -7.763 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.495 3.498 -6.215 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.396 3.119 -7.562 1.00 0.34 H new ATOM 573 N LEU A 46 -3.287 -0.378 -5.252 1.00 0.16 N ATOM 574 CA LEU A 46 -2.248 -0.880 -4.370 1.00 0.16 C ATOM 575 C LEU A 46 -0.899 -0.261 -4.718 1.00 0.16 C ATOM 576 O LEU A 46 -0.081 -0.005 -3.836 1.00 0.19 O ATOM 577 CB LEU A 46 -2.144 -2.408 -4.452 1.00 0.18 C ATOM 578 CG LEU A 46 -3.352 -3.191 -3.934 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.304 -4.630 -4.439 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.403 -3.159 -2.411 1.00 0.19 C ATOM 0 H LEU A 46 -3.739 -1.089 -5.826 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.520 -0.600 -3.352 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.975 -2.686 -5.492 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.264 -2.723 -3.891 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.258 -2.719 -4.313 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.169 -5.176 -4.063 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.318 -4.634 -5.529 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.391 -5.109 -4.086 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.270 -3.722 -2.064 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.495 -3.606 -2.007 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.481 -2.126 -2.071 1.00 0.19 H new ATOM 592 N LYS A 47 -0.669 -0.027 -6.004 1.00 0.17 N ATOM 593 CA LYS A 47 0.593 0.547 -6.452 1.00 0.19 C ATOM 594 C LYS A 47 0.714 2.027 -6.092 1.00 0.18 C ATOM 595 O LYS A 47 1.770 2.470 -5.641 1.00 0.20 O ATOM 596 CB LYS A 47 0.757 0.355 -7.960 1.00 0.24 C ATOM 597 CG LYS A 47 1.363 -0.987 -8.330 1.00 0.31 C ATOM 598 CD LYS A 47 0.934 -1.438 -9.718 1.00 0.44 C ATOM 599 CE LYS A 47 1.421 -2.851 -10.017 1.00 0.88 C ATOM 600 NZ LYS A 47 0.840 -3.410 -11.268 1.00 0.97 N ATOM 0 H LYS A 47 -1.335 -0.224 -6.751 1.00 0.17 H new ATOM 0 HA LYS A 47 1.392 0.019 -5.931 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.217 0.451 -8.440 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.387 1.152 -8.355 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.450 -0.918 -8.290 1.00 0.31 H new ATOM 0 HG3 LYS A 47 1.064 -1.735 -7.596 1.00 0.31 H new ATOM 0 HD2 LYS A 47 -0.153 -1.402 -9.795 1.00 0.44 H new ATOM 0 HD3 LYS A 47 1.329 -0.749 -10.465 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.508 -2.846 -10.098 1.00 0.88 H new ATOM 0 HE3 LYS A 47 1.166 -3.502 -9.181 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 1.514 -4.077 -11.696 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 -0.046 -3.908 -11.047 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.646 -2.637 -11.936 1.00 0.97 H new ATOM 614 N LYS A 48 -0.360 2.790 -6.283 1.00 0.17 N ATOM 615 CA LYS A 48 -0.333 4.216 -5.969 1.00 0.18 C ATOM 616 C LYS A 48 -0.366 4.437 -4.464 1.00 0.18 C ATOM 617 O LYS A 48 0.341 5.293 -3.934 1.00 0.20 O ATOM 618 CB LYS A 48 -1.506 4.959 -6.637 1.00 0.20 C ATOM 619 CG LYS A 48 -2.804 4.162 -6.713 1.00 0.31 C ATOM 620 CD LYS A 48 -3.873 4.891 -7.519 1.00 0.32 C ATOM 621 CE LYS A 48 -3.437 5.130 -8.959 1.00 0.45 C ATOM 622 NZ LYS A 48 -3.591 6.554 -9.359 1.00 0.77 N ATOM 0 H LYS A 48 -1.249 2.450 -6.649 1.00 0.17 H new ATOM 0 HA LYS A 48 0.598 4.621 -6.365 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.694 5.882 -6.088 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.210 5.243 -7.647 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.607 3.190 -7.166 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -3.174 3.974 -5.705 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.794 4.308 -7.511 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -4.096 5.846 -7.044 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.395 4.831 -9.077 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.027 4.500 -9.625 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -3.819 6.607 -10.372 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.359 6.988 -8.808 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -2.703 7.064 -9.177 1.00 0.77 H new ATOM 636 N MET A 49 -1.179 3.657 -3.779 1.00 0.17 N ATOM 637 CA MET A 49 -1.305 3.768 -2.339 1.00 0.17 C ATOM 638 C MET A 49 -0.002 3.375 -1.641 1.00 0.17 C ATOM 639 O MET A 49 0.328 3.921 -0.590 1.00 0.19 O ATOM 640 CB MET A 49 -2.505 2.960 -1.845 1.00 0.17 C ATOM 641 CG MET A 49 -2.132 1.685 -1.130 1.00 0.19 C ATOM 642 SD MET A 49 -3.226 0.317 -1.537 1.00 1.07 S ATOM 643 CE MET A 49 -4.623 0.662 -0.478 1.00 0.22 C ATOM 0 H MET A 49 -1.765 2.936 -4.199 1.00 0.17 H new ATOM 0 HA MET A 49 -1.491 4.810 -2.081 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.097 3.582 -1.173 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.141 2.715 -2.696 1.00 0.17 H new ATOM 0 HG2 MET A 49 -1.108 1.415 -1.387 1.00 0.19 H new ATOM 0 HG3 MET A 49 -2.156 1.856 -0.054 1.00 0.19 H new ATOM 0 HE1 MET A 49 -4.832 -0.209 0.144 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.394 1.516 0.159 1.00 0.22 H new ATOM 0 HE3 MET A 49 -5.496 0.889 -1.090 1.00 0.22 H new ATOM 653 N ALA A 50 0.748 2.454 -2.242 1.00 0.16 N ATOM 654 CA ALA A 50 2.025 2.023 -1.683 1.00 0.17 C ATOM 655 C ALA A 50 3.121 3.035 -1.995 1.00 0.18 C ATOM 656 O ALA A 50 4.103 3.149 -1.266 1.00 0.22 O ATOM 657 CB ALA A 50 2.407 0.657 -2.230 1.00 0.19 C ATOM 0 H ALA A 50 0.493 1.993 -3.115 1.00 0.16 H new ATOM 0 HA ALA A 50 1.916 1.953 -0.601 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.362 0.349 -1.804 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.639 -0.069 -1.964 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.494 0.711 -3.315 1.00 0.19 H new ATOM 663 N ALA A 51 2.957 3.748 -3.102 1.00 0.18 N ATOM 664 CA ALA A 51 3.946 4.727 -3.530 1.00 0.22 C ATOM 665 C ALA A 51 3.757 6.084 -2.847 1.00 0.24 C ATOM 666 O ALA A 51 4.733 6.751 -2.493 1.00 0.30 O ATOM 667 CB ALA A 51 3.893 4.885 -5.041 1.00 0.25 C ATOM 0 H ALA A 51 2.149 3.666 -3.719 1.00 0.18 H new ATOM 0 HA ALA A 51 4.926 4.355 -3.233 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.635 5.619 -5.356 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.106 3.927 -5.515 1.00 0.25 H new ATOM 0 HB3 ALA A 51 2.900 5.223 -5.337 1.00 0.25 H new ATOM 673 N ILE A 52 2.508 6.497 -2.679 1.00 0.24 N ATOM 674 CA ILE A 52 2.203 7.779 -2.062 1.00 0.28 C ATOM 675 C ILE A 52 2.102 7.643 -0.547 1.00 0.26 C ATOM 676 O ILE A 52 2.494 8.551 0.196 1.00 0.31 O ATOM 677 CB ILE A 52 0.883 8.344 -2.641 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.150 9.047 -3.975 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.206 9.298 -1.669 1.00 0.35 C ATOM 680 CD1 ILE A 52 0.828 8.199 -5.187 1.00 0.37 C ATOM 0 H ILE A 52 1.688 5.961 -2.963 1.00 0.24 H new ATOM 0 HA ILE A 52 3.014 8.472 -2.286 1.00 0.28 H new ATOM 0 HB ILE A 52 0.207 7.505 -2.806 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.561 9.963 -4.017 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.199 9.341 -4.017 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.717 9.674 -2.111 1.00 0.35 H new ATOM 0 HG22 ILE A 52 -0.023 8.771 -0.743 1.00 0.35 H new ATOM 0 HG23 ILE A 52 0.872 10.134 -1.456 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.043 8.764 -6.094 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.436 7.295 -5.170 1.00 0.37 H new ATOM 0 HD13 ILE A 52 -0.227 7.927 -5.170 1.00 0.37 H new ATOM 692 N LEU A 53 1.599 6.494 -0.103 1.00 0.21 N ATOM 693 CA LEU A 53 1.445 6.197 1.319 1.00 0.21 C ATOM 694 C LEU A 53 0.602 7.261 2.029 1.00 0.23 C ATOM 695 O LEU A 53 1.102 7.981 2.896 1.00 0.27 O ATOM 696 CB LEU A 53 2.813 6.069 1.997 1.00 0.24 C ATOM 697 CG LEU A 53 3.379 4.645 2.055 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.756 4.637 2.696 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.428 3.737 2.816 1.00 0.35 C ATOM 0 H LEU A 53 1.287 5.743 -0.718 1.00 0.21 H new ATOM 0 HA LEU A 53 0.921 5.244 1.398 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.524 6.705 1.469 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.735 6.454 3.014 1.00 0.24 H new ATOM 0 HG LEU A 53 3.481 4.270 1.037 1.00 0.26 H new ATOM 0 HD11 LEU A 53 5.137 3.616 2.726 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.433 5.260 2.112 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.687 5.029 3.711 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.839 2.728 2.852 1.00 0.35 H new ATOM 0 HD22 LEU A 53 2.300 4.113 3.831 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.462 3.718 2.312 1.00 0.35 H new ATOM 711 N PRO A 54 -0.693 7.372 1.676 1.00 0.24 N ATOM 712 CA PRO A 54 -1.608 8.343 2.286 1.00 0.30 C ATOM 713 C PRO A 54 -2.032 7.911 3.690 1.00 0.40 C ATOM 714 O PRO A 54 -2.712 6.894 3.853 1.00 0.48 O ATOM 715 CB PRO A 54 -2.821 8.352 1.341 1.00 0.36 C ATOM 716 CG PRO A 54 -2.447 7.485 0.178 1.00 0.25 C ATOM 717 CD PRO A 54 -1.381 6.556 0.670 1.00 0.23 C ATOM 0 HA PRO A 54 -1.146 9.323 2.403 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.709 7.969 1.843 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -3.052 9.365 1.013 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.311 6.928 -0.185 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.084 8.087 -0.655 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.801 5.648 1.102 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.710 6.247 -0.131 1.00 0.23 H new ATOM 725 N MET A 55 -1.612 8.669 4.697 1.00 0.49 N ATOM 726 CA MET A 55 -1.918 8.354 6.090 1.00 0.64 C ATOM 727 C MET A 55 -3.409 8.460 6.393 1.00 0.72 C ATOM 728 O MET A 55 -3.907 7.804 7.311 1.00 1.02 O ATOM 729 CB MET A 55 -1.119 9.273 7.025 1.00 0.80 C ATOM 730 CG MET A 55 0.218 8.694 7.446 1.00 1.07 C ATOM 731 SD MET A 55 0.897 9.509 8.906 1.00 1.66 S ATOM 732 CE MET A 55 0.900 8.148 10.067 1.00 1.52 C ATOM 0 H MET A 55 -1.054 9.514 4.574 1.00 0.49 H new ATOM 0 HA MET A 55 -1.628 7.317 6.261 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.952 10.228 6.527 1.00 0.80 H new ATOM 0 HB3 MET A 55 -1.714 9.478 7.915 1.00 0.80 H new ATOM 0 HG2 MET A 55 0.101 7.630 7.650 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.925 8.785 6.622 1.00 1.07 H new ATOM 0 HE1 MET A 55 1.795 8.201 10.687 1.00 1.52 H new ATOM 0 HE2 MET A 55 0.015 8.208 10.701 1.00 1.52 H new ATOM 0 HE3 MET A 55 0.892 7.204 9.521 1.00 1.52 H new ATOM 742 N ASN A 56 -4.122 9.277 5.631 1.00 0.66 N ATOM 743 CA ASN A 56 -5.550 9.439 5.852 1.00 0.84 C ATOM 744 C ASN A 56 -6.287 9.782 4.555 1.00 0.69 C ATOM 745 O ASN A 56 -5.695 9.796 3.469 1.00 0.59 O ATOM 746 CB ASN A 56 -5.816 10.507 6.913 1.00 1.13 C ATOM 747 CG ASN A 56 -6.986 10.150 7.804 1.00 1.94 C ATOM 748 OD1 ASN A 56 -7.828 9.328 7.447 1.00 2.68 O ATOM 749 ND2 ASN A 56 -7.052 10.771 8.961 1.00 2.34 N ATOM 0 H ASN A 56 -3.741 9.831 4.864 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.934 8.484 6.211 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -4.923 10.639 7.524 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -6.012 11.461 6.424 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -7.823 10.577 9.600 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -6.332 11.446 9.219 1.00 2.34 H new ATOM 756 N ASP A 57 -7.585 10.040 4.695 1.00 0.76 N ATOM 757 CA ASP A 57 -8.473 10.366 3.577 1.00 0.76 C ATOM 758 C ASP A 57 -8.050 11.647 2.852 1.00 0.73 C ATOM 759 O ASP A 57 -8.258 11.779 1.647 1.00 1.11 O ATOM 760 CB ASP A 57 -9.913 10.520 4.087 1.00 0.96 C ATOM 761 CG ASP A 57 -10.725 9.243 3.975 1.00 1.69 C ATOM 762 OD1 ASP A 57 -10.418 8.269 4.697 1.00 2.68 O ATOM 763 OD2 ASP A 57 -11.690 9.217 3.185 1.00 1.77 O ATOM 0 H ASP A 57 -8.058 10.029 5.599 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.409 9.546 2.862 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.891 10.839 5.129 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -10.409 11.310 3.523 1.00 0.96 H new ATOM 768 N SER A 58 -7.470 12.586 3.586 1.00 0.67 N ATOM 769 CA SER A 58 -7.034 13.857 3.009 1.00 0.72 C ATOM 770 C SER A 58 -5.962 13.654 1.938 1.00 0.66 C ATOM 771 O SER A 58 -6.061 14.195 0.834 1.00 0.77 O ATOM 772 CB SER A 58 -6.505 14.769 4.110 1.00 0.87 C ATOM 773 OG SER A 58 -6.723 14.190 5.387 1.00 1.02 O ATOM 0 H SER A 58 -7.289 12.494 4.586 1.00 0.67 H new ATOM 0 HA SER A 58 -7.896 14.321 2.530 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.440 14.946 3.962 1.00 0.87 H new ATOM 0 HB3 SER A 58 -7.000 15.739 4.055 1.00 0.87 H new ATOM 0 HG SER A 58 -6.015 13.540 5.576 1.00 1.02 H new ATOM 779 N ALA A 59 -4.942 12.869 2.272 1.00 0.58 N ATOM 780 CA ALA A 59 -3.845 12.587 1.351 1.00 0.59 C ATOM 781 C ALA A 59 -4.326 11.815 0.121 1.00 0.51 C ATOM 782 O ALA A 59 -3.709 11.883 -0.944 1.00 0.59 O ATOM 783 CB ALA A 59 -2.742 11.824 2.072 1.00 0.62 C ATOM 0 H ALA A 59 -4.852 12.414 3.180 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.445 13.538 0.999 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.928 11.618 1.377 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.368 12.423 2.902 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.140 10.884 2.454 1.00 0.62 H new ATOM 789 N PHE A 60 -5.418 11.062 0.286 1.00 0.40 N ATOM 790 CA PHE A 60 -5.996 10.246 -0.787 1.00 0.37 C ATOM 791 C PHE A 60 -6.215 11.018 -2.084 1.00 0.42 C ATOM 792 O PHE A 60 -6.252 10.420 -3.160 1.00 0.46 O ATOM 793 CB PHE A 60 -7.296 9.603 -0.329 1.00 0.33 C ATOM 794 CG PHE A 60 -7.057 8.332 0.431 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.930 7.564 0.169 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.938 7.903 1.408 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.690 6.402 0.864 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.697 6.734 2.108 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.568 5.987 1.830 1.00 0.24 C ATOM 0 H PHE A 60 -5.927 11.001 1.168 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.263 9.470 -1.008 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.845 10.304 0.300 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.923 9.395 -1.196 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.232 7.884 -0.591 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.821 8.485 1.626 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.809 5.816 0.648 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -8.389 6.406 2.869 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.378 5.074 2.375 1.00 0.24 H new ATOM 809 N ALA A 61 -6.359 12.334 -1.987 1.00 0.47 N ATOM 810 CA ALA A 61 -6.565 13.167 -3.166 1.00 0.56 C ATOM 811 C ALA A 61 -5.432 12.984 -4.191 1.00 0.58 C ATOM 812 O ALA A 61 -5.614 13.223 -5.382 1.00 0.64 O ATOM 813 CB ALA A 61 -6.683 14.629 -2.770 1.00 0.67 C ATOM 0 H ALA A 61 -6.337 12.847 -1.106 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.496 12.850 -3.635 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -6.836 15.236 -3.662 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.529 14.756 -2.095 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -5.768 14.945 -2.269 1.00 0.67 H new ATOM 819 N THR A 62 -4.266 12.553 -3.716 1.00 0.57 N ATOM 820 CA THR A 62 -3.105 12.330 -4.575 1.00 0.64 C ATOM 821 C THR A 62 -3.217 10.998 -5.318 1.00 0.53 C ATOM 822 O THR A 62 -2.658 10.829 -6.402 1.00 0.57 O ATOM 823 CB THR A 62 -1.806 12.347 -3.755 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.853 11.342 -2.739 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.592 13.710 -3.115 1.00 1.13 C ATOM 0 H THR A 62 -4.099 12.349 -2.731 1.00 0.57 H new ATOM 0 HA THR A 62 -3.080 13.140 -5.303 1.00 0.64 H new ATOM 0 HB THR A 62 -0.974 12.142 -4.429 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.378 11.669 -1.979 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.667 13.700 -2.539 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.527 14.471 -3.893 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.428 13.937 -2.454 1.00 1.13 H new ATOM 833 N LEU A 63 -3.966 10.066 -4.731 1.00 0.44 N ATOM 834 CA LEU A 63 -4.190 8.748 -5.324 1.00 0.40 C ATOM 835 C LEU A 63 -5.003 8.891 -6.599 1.00 0.48 C ATOM 836 O LEU A 63 -4.841 8.134 -7.562 1.00 0.68 O ATOM 837 CB LEU A 63 -4.959 7.839 -4.349 1.00 0.34 C ATOM 838 CG LEU A 63 -4.154 7.215 -3.202 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.847 5.958 -2.700 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.750 6.884 -3.648 1.00 0.27 C ATOM 0 H LEU A 63 -4.433 10.202 -3.835 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.220 8.303 -5.544 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.774 8.419 -3.916 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.413 7.032 -4.924 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.096 7.941 -2.391 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.267 5.523 -1.886 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.844 6.211 -2.340 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.927 5.237 -3.514 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.199 6.443 -2.817 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.789 6.175 -4.475 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.247 7.795 -3.974 1.00 0.27 H new ATOM 852 N GLY A 64 -5.892 9.861 -6.579 1.00 0.63 N ATOM 853 CA GLY A 64 -6.754 10.113 -7.702 1.00 0.76 C ATOM 854 C GLY A 64 -8.204 10.021 -7.303 1.00 0.91 C ATOM 855 O GLY A 64 -8.553 10.221 -6.143 1.00 1.61 O ATOM 0 H GLY A 64 -6.033 10.490 -5.788 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.547 11.103 -8.108 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.545 9.394 -8.494 1.00 0.76 H new ATOM 859 N THR A 65 -9.050 9.732 -8.265 1.00 1.22 N ATOM 860 CA THR A 65 -10.467 9.634 -8.015 1.00 1.52 C ATOM 861 C THR A 65 -10.871 8.230 -7.565 1.00 1.28 C ATOM 862 O THR A 65 -11.567 7.518 -8.291 1.00 1.56 O ATOM 863 CB THR A 65 -11.248 10.020 -9.271 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.334 10.326 -10.334 1.00 2.14 O ATOM 865 CG2 THR A 65 -12.152 11.211 -8.999 1.00 2.55 C ATOM 0 H THR A 65 -8.778 9.560 -9.233 1.00 1.22 H new ATOM 0 HA THR A 65 -10.706 10.324 -7.206 1.00 1.52 H new ATOM 0 HB THR A 65 -11.874 9.178 -9.565 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.024 9.494 -10.749 1.00 2.14 H new ATOM 0 HG21 THR A 65 -12.698 11.468 -9.907 1.00 2.55 H new ATOM 0 HG22 THR A 65 -12.859 10.958 -8.209 1.00 2.55 H new ATOM 0 HG23 THR A 65 -11.548 12.062 -8.686 1.00 2.55 H new ATOM 873 N VAL A 66 -10.457 7.834 -6.358 1.00 0.89 N ATOM 874 CA VAL A 66 -10.827 6.516 -5.839 1.00 0.69 C ATOM 875 C VAL A 66 -12.332 6.483 -5.585 1.00 0.68 C ATOM 876 O VAL A 66 -12.894 7.425 -5.029 1.00 0.72 O ATOM 877 CB VAL A 66 -10.079 6.136 -4.530 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.728 5.485 -4.824 1.00 0.58 C ATOM 879 CG2 VAL A 66 -9.897 7.352 -3.640 1.00 0.58 C ATOM 0 H VAL A 66 -9.877 8.395 -5.733 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.536 5.785 -6.593 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.694 5.407 -4.003 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.234 5.233 -3.886 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.881 4.578 -5.409 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.105 6.179 -5.387 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.371 7.062 -2.730 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.316 8.107 -4.170 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -10.873 7.762 -3.380 1.00 0.58 H new ATOM 889 N GLU A 67 -12.977 5.410 -6.021 1.00 0.72 N ATOM 890 CA GLU A 67 -14.417 5.257 -5.867 1.00 0.79 C ATOM 891 C GLU A 67 -14.842 5.338 -4.401 1.00 0.63 C ATOM 892 O GLU A 67 -14.065 5.023 -3.491 1.00 0.49 O ATOM 893 CB GLU A 67 -14.850 3.919 -6.470 1.00 0.94 C ATOM 894 CG GLU A 67 -16.329 3.826 -6.809 1.00 1.19 C ATOM 895 CD GLU A 67 -16.864 5.069 -7.488 1.00 1.70 C ATOM 896 OE1 GLU A 67 -17.202 6.038 -6.777 1.00 2.42 O ATOM 897 OE2 GLU A 67 -16.920 5.094 -8.731 1.00 2.16 O ATOM 0 H GLU A 67 -12.521 4.626 -6.488 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.907 6.077 -6.393 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.271 3.740 -7.376 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -14.601 3.122 -5.769 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.493 2.966 -7.458 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -16.894 3.647 -5.894 1.00 1.19 H new ATOM 904 N ASP A 68 -16.080 5.760 -4.184 1.00 0.71 N ATOM 905 CA ASP A 68 -16.642 5.893 -2.840 1.00 0.67 C ATOM 906 C ASP A 68 -16.607 4.553 -2.098 1.00 0.54 C ATOM 907 O ASP A 68 -16.323 4.508 -0.897 1.00 0.55 O ATOM 908 CB ASP A 68 -18.077 6.430 -2.934 1.00 0.85 C ATOM 909 CG ASP A 68 -19.045 5.716 -2.013 1.00 1.26 C ATOM 910 OD1 ASP A 68 -19.633 4.689 -2.429 1.00 1.61 O ATOM 911 OD2 ASP A 68 -19.242 6.191 -0.875 1.00 1.72 O ATOM 0 H ASP A 68 -16.725 6.020 -4.930 1.00 0.71 H new ATOM 0 HA ASP A 68 -16.037 6.599 -2.272 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.076 7.493 -2.695 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.427 6.335 -3.962 1.00 0.85 H new ATOM 916 N LYS A 69 -16.885 3.464 -2.811 1.00 0.55 N ATOM 917 CA LYS A 69 -16.877 2.139 -2.201 1.00 0.58 C ATOM 918 C LYS A 69 -15.451 1.709 -1.863 1.00 0.51 C ATOM 919 O LYS A 69 -15.227 0.909 -0.949 1.00 0.60 O ATOM 920 CB LYS A 69 -17.557 1.113 -3.118 1.00 0.71 C ATOM 921 CG LYS A 69 -16.661 0.560 -4.219 1.00 0.82 C ATOM 922 CD LYS A 69 -17.211 0.856 -5.609 1.00 1.15 C ATOM 923 CE LYS A 69 -18.585 0.238 -5.827 1.00 1.53 C ATOM 924 NZ LYS A 69 -19.391 1.015 -6.802 1.00 1.97 N ATOM 0 H LYS A 69 -17.117 3.473 -3.804 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.445 2.188 -1.272 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.918 0.284 -2.510 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.431 1.576 -3.576 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.664 0.991 -4.125 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -16.556 -0.518 -4.093 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -17.273 1.935 -5.751 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -16.520 0.475 -6.360 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -18.471 -0.786 -6.184 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -19.115 0.187 -4.876 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -20.320 0.563 -6.924 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -19.522 1.985 -6.450 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -18.897 1.043 -7.717 1.00 1.97 H new ATOM 938 N TYR A 70 -14.481 2.255 -2.595 1.00 0.43 N ATOM 939 CA TYR A 70 -13.082 1.928 -2.359 1.00 0.39 C ATOM 940 C TYR A 70 -12.549 2.771 -1.210 1.00 0.33 C ATOM 941 O TYR A 70 -11.761 2.291 -0.397 1.00 0.34 O ATOM 942 CB TYR A 70 -12.248 2.133 -3.633 1.00 0.47 C ATOM 943 CG TYR A 70 -12.354 0.966 -4.601 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.847 -0.283 -4.267 1.00 1.05 C ATOM 945 CD2 TYR A 70 -12.937 1.116 -5.857 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.921 -1.348 -5.144 1.00 1.16 C ATOM 947 CE2 TYR A 70 -13.010 0.055 -6.741 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.600 -1.173 -6.371 1.00 0.94 C ATOM 949 OH TYR A 70 -12.565 -2.229 -7.266 1.00 1.11 O ATOM 0 H TYR A 70 -14.640 2.921 -3.351 1.00 0.43 H new ATOM 0 HA TYR A 70 -13.004 0.875 -2.087 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.575 3.045 -4.133 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.203 2.277 -3.358 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -11.385 -0.425 -3.301 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -13.338 2.076 -6.145 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -11.468 -2.297 -4.896 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -13.399 0.213 -7.736 1.00 1.29 H new ATOM 0 HH TYR A 70 -13.068 -1.991 -8.073 1.00 1.11 H new ATOM 959 N ARG A 71 -13.020 4.011 -1.123 1.00 0.37 N ATOM 960 CA ARG A 71 -12.631 4.908 -0.044 1.00 0.46 C ATOM 961 C ARG A 71 -13.147 4.375 1.285 1.00 0.52 C ATOM 962 O ARG A 71 -12.512 4.535 2.323 1.00 0.59 O ATOM 963 CB ARG A 71 -13.189 6.296 -0.273 1.00 0.60 C ATOM 964 CG ARG A 71 -12.252 7.385 0.205 1.00 0.81 C ATOM 965 CD ARG A 71 -12.272 8.573 -0.731 1.00 0.97 C ATOM 966 NE ARG A 71 -13.555 9.275 -0.692 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.338 9.468 -1.756 1.00 1.96 C ATOM 968 NH1 ARG A 71 -13.937 9.079 -2.957 1.00 2.55 N ATOM 969 NH2 ARG A 71 -15.520 10.057 -1.612 1.00 2.53 N ATOM 0 H ARG A 71 -13.675 4.418 -1.791 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.543 4.963 -0.023 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -13.388 6.433 -1.336 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -14.144 6.390 0.244 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.541 7.703 1.207 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -11.238 6.991 0.275 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -11.472 9.262 -0.460 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -12.072 8.237 -1.749 1.00 0.97 H new ATOM 0 HE ARG A 71 -13.872 9.641 0.206 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -13.028 8.631 -3.071 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -14.537 9.228 -3.768 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -15.829 10.362 -0.689 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -16.119 10.205 -2.425 1.00 2.53 H new ATOM 983 N ARG A 72 -14.322 3.757 1.237 1.00 0.57 N ATOM 984 CA ARG A 72 -14.960 3.197 2.394 1.00 0.72 C ATOM 985 C ARG A 72 -14.107 2.114 3.066 1.00 0.68 C ATOM 986 O ARG A 72 -13.610 2.311 4.168 1.00 0.82 O ATOM 987 CB ARG A 72 -16.269 2.618 1.928 1.00 0.87 C ATOM 988 CG ARG A 72 -17.357 2.642 2.955 1.00 1.22 C ATOM 989 CD ARG A 72 -18.404 1.652 2.540 1.00 1.78 C ATOM 990 NE ARG A 72 -18.703 0.688 3.593 1.00 2.63 N ATOM 991 CZ ARG A 72 -19.836 0.671 4.285 1.00 3.47 C ATOM 992 NH1 ARG A 72 -20.811 1.525 3.997 1.00 3.77 N ATOM 993 NH2 ARG A 72 -20.004 -0.223 5.247 1.00 4.38 N ATOM 0 H ARG A 72 -14.855 3.636 0.376 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.105 3.973 3.145 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.604 3.169 1.049 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.105 1.587 1.614 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -16.960 2.388 3.938 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.786 3.641 3.033 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -19.316 2.184 2.268 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -18.066 1.121 1.650 1.00 1.78 H new ATOM 0 HE ARG A 72 -17.998 -0.016 3.811 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -20.692 2.199 3.241 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -21.679 1.507 4.532 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -19.265 -0.895 5.454 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -20.873 -0.240 5.781 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.935 0.968 2.398 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.142 -0.134 2.954 1.00 0.70 C ATOM 1009 C ARG A 73 -11.659 0.239 3.060 1.00 0.53 C ATOM 1010 O ARG A 73 -10.864 -0.509 3.630 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.336 -1.417 2.131 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.211 -1.735 1.164 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.488 -1.131 -0.193 1.00 0.71 C ATOM 1014 NE ARG A 73 -12.441 -2.142 -1.249 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.508 -2.661 -1.857 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -14.734 -2.253 -1.532 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -13.339 -3.596 -2.789 1.00 1.44 N ATOM 0 H ARG A 73 -14.332 0.780 1.477 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.502 -0.325 3.965 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.454 -2.256 2.817 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.266 -1.333 1.568 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.269 -1.349 1.554 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -12.099 -2.815 1.071 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.468 -0.655 -0.187 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.756 -0.351 -0.402 1.00 0.71 H new ATOM 0 HE ARG A 73 -11.523 -2.475 -1.542 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -14.860 -1.539 -0.814 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -15.546 -2.654 -2.001 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -12.399 -3.909 -3.032 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -14.149 -3.999 -3.260 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.315 1.421 2.552 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.949 1.942 2.624 1.00 0.26 C ATOM 1033 C PHE A 74 -9.515 1.960 4.085 1.00 0.22 C ATOM 1034 O PHE A 74 -8.342 1.800 4.406 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.868 3.360 2.053 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.863 3.525 0.960 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.597 2.982 1.085 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.192 4.202 -0.197 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.671 3.110 0.073 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.271 4.332 -1.217 1.00 0.32 C ATOM 1041 CZ PHE A 74 -6.989 3.871 -1.053 1.00 0.30 C ATOM 0 H PHE A 74 -11.971 2.043 2.080 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.294 1.301 2.034 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.850 3.643 1.674 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.626 4.051 2.860 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.331 2.451 1.987 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.176 4.633 -0.305 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.708 2.626 0.150 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.560 4.798 -2.147 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.232 4.095 -1.790 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.504 2.166 4.954 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.311 2.218 6.401 1.00 0.30 C ATOM 1053 C LYS A 75 -9.570 0.984 6.926 1.00 0.28 C ATOM 1054 O LYS A 75 -8.908 1.052 7.955 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.674 2.303 7.092 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.581 1.111 6.795 1.00 0.37 C ATOM 1057 CD LYS A 75 -13.987 1.325 7.325 1.00 0.82 C ATOM 1058 CE LYS A 75 -14.227 0.558 8.617 1.00 1.28 C ATOM 1059 NZ LYS A 75 -15.519 -0.188 8.592 1.00 1.72 N ATOM 0 H LYS A 75 -11.474 2.303 4.668 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.707 3.098 6.621 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.523 2.375 8.169 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -12.175 3.219 6.778 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.620 0.944 5.719 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.157 0.212 7.242 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.152 2.388 7.498 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.711 1.008 6.574 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -13.407 -0.142 8.781 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -14.226 1.253 9.457 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -15.930 -0.203 9.547 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.178 0.281 7.939 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -15.351 -1.163 8.272 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.690 -0.140 6.222 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.038 -1.375 6.643 1.00 0.22 C ATOM 1075 C TYR A 76 -7.561 -1.373 6.262 1.00 0.20 C ATOM 1076 O TYR A 76 -6.796 -2.233 6.687 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.762 -2.590 6.051 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.192 -2.715 6.524 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.487 -2.861 7.869 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.244 -2.693 5.618 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -12.792 -2.983 8.305 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.554 -2.817 6.044 1.00 0.61 C ATOM 1083 CZ TYR A 76 -13.826 -2.925 7.398 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.126 -3.108 7.821 1.00 0.99 O ATOM 0 H TYR A 76 -10.231 -0.219 5.361 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.096 -1.440 7.730 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.750 -2.518 4.963 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.217 -3.496 6.317 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -10.683 -2.880 8.590 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.036 -2.577 4.565 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -13.001 -3.124 9.355 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.360 -2.830 5.325 1.00 0.61 H new ATOM 0 HH TYR A 76 -15.733 -3.035 7.055 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.164 -0.386 5.481 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.782 -0.252 5.067 1.00 0.21 C ATOM 1096 C PHE A 77 -5.154 0.976 5.700 1.00 0.24 C ATOM 1097 O PHE A 77 -3.933 1.125 5.701 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.703 -0.107 3.551 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.520 -1.401 2.814 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.711 -2.410 3.318 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.147 -1.596 1.602 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.541 -3.585 2.616 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -5.979 -2.764 0.898 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.175 -3.761 1.406 1.00 0.24 C ATOM 0 H PHE A 77 -7.784 0.338 5.119 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.245 -1.145 5.387 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.615 0.374 3.196 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.875 0.558 3.304 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.211 -2.274 4.266 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -6.780 -0.819 1.200 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.911 -4.366 3.015 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.476 -2.900 -0.051 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.042 -4.681 0.855 1.00 0.24 H new ATOM 1114 N LYS A 78 -5.995 1.861 6.219 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.531 3.107 6.831 1.00 0.34 C ATOM 1116 C LYS A 78 -4.597 2.852 8.009 1.00 0.37 C ATOM 1117 O LYS A 78 -3.678 3.631 8.259 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.726 3.948 7.299 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.745 5.356 6.729 1.00 0.68 C ATOM 1120 CD LYS A 78 -8.058 5.649 6.023 1.00 0.82 C ATOM 1121 CE LYS A 78 -9.192 5.881 7.013 1.00 0.98 C ATOM 1122 NZ LYS A 78 -9.612 7.307 7.042 1.00 1.37 N ATOM 0 H LYS A 78 -7.008 1.741 6.230 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.973 3.651 6.069 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.648 3.440 7.018 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.713 4.007 8.387 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.593 6.077 7.532 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.918 5.478 6.029 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -7.942 6.529 5.390 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.312 4.816 5.368 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -10.044 5.256 6.744 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.874 5.575 8.010 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -10.450 7.410 7.649 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -8.837 7.889 7.420 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -9.843 7.621 6.078 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.820 1.758 8.722 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.978 1.423 9.863 1.00 0.46 C ATOM 1138 C ALA A 79 -2.608 0.938 9.407 1.00 0.41 C ATOM 1139 O ALA A 79 -1.599 1.180 10.065 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.652 0.372 10.734 1.00 0.56 C ATOM 0 H ALA A 79 -5.569 1.092 8.534 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.837 2.327 10.455 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -4.009 0.134 11.581 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.604 0.758 11.099 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.827 -0.530 10.147 1.00 0.56 H new ATOM 1146 N THR A 80 -2.583 0.258 8.277 1.00 0.31 N ATOM 1147 CA THR A 80 -1.350 -0.268 7.725 1.00 0.30 C ATOM 1148 C THR A 80 -0.570 0.797 6.967 1.00 0.24 C ATOM 1149 O THR A 80 0.635 0.933 7.151 1.00 0.27 O ATOM 1150 CB THR A 80 -1.656 -1.426 6.773 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.934 -1.984 7.102 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.580 -2.490 6.861 1.00 0.46 C ATOM 0 H THR A 80 -3.412 0.055 7.718 1.00 0.31 H new ATOM 0 HA THR A 80 -0.742 -0.613 8.561 1.00 0.30 H new ATOM 0 HB THR A 80 -1.676 -1.050 5.750 1.00 0.36 H new ATOM 0 HG1 THR A 80 -3.479 -2.054 6.290 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.817 -3.304 6.176 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.383 -2.057 6.591 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.531 -2.875 7.880 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.258 1.547 6.113 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.622 2.595 5.325 1.00 0.24 C ATOM 1162 C ILE A 81 -0.010 3.652 6.247 1.00 0.28 C ATOM 1163 O ILE A 81 1.039 4.223 5.948 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.633 3.237 4.344 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.171 2.189 3.372 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.006 4.379 3.565 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.325 2.684 2.528 1.00 0.55 C ATOM 0 H ILE A 81 -2.260 1.448 5.949 1.00 0.21 H new ATOM 0 HA ILE A 81 0.177 2.147 4.734 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.454 3.638 4.938 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -1.363 1.866 2.715 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.493 1.314 3.936 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -1.745 4.805 2.887 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.664 5.147 4.258 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.159 4.005 2.990 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -3.656 1.888 1.861 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.149 2.980 3.177 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.002 3.541 1.937 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.656 3.881 7.385 1.00 0.31 N ATOM 1180 CA ALA A 82 -0.165 4.838 8.371 1.00 0.39 C ATOM 1181 C ALA A 82 1.092 4.298 9.057 1.00 0.41 C ATOM 1182 O ALA A 82 1.914 5.050 9.574 1.00 0.53 O ATOM 1183 CB ALA A 82 -1.240 5.129 9.409 1.00 0.46 C ATOM 0 H ALA A 82 -1.524 3.415 7.649 1.00 0.31 H new ATOM 0 HA ALA A 82 0.086 5.765 7.856 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.858 5.844 10.137 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -2.118 5.546 8.916 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.514 4.205 9.918 1.00 0.46 H new ATOM 1189 N ASP A 83 1.229 2.982 9.055 1.00 0.37 N ATOM 1190 CA ASP A 83 2.381 2.331 9.673 1.00 0.42 C ATOM 1191 C ASP A 83 3.506 2.164 8.670 1.00 0.39 C ATOM 1192 O ASP A 83 4.674 2.335 9.004 1.00 0.46 O ATOM 1193 CB ASP A 83 2.004 0.964 10.249 1.00 0.47 C ATOM 1194 CG ASP A 83 2.846 0.612 11.461 1.00 0.80 C ATOM 1195 OD1 ASP A 83 3.618 1.474 11.925 1.00 1.40 O ATOM 1196 OD2 ASP A 83 2.743 -0.534 11.954 1.00 1.37 O ATOM 0 H ASP A 83 0.558 2.340 8.633 1.00 0.37 H new ATOM 0 HA ASP A 83 2.718 2.972 10.487 1.00 0.42 H new ATOM 0 HB2 ASP A 83 0.950 0.965 10.526 1.00 0.47 H new ATOM 0 HB3 ASP A 83 2.132 0.199 9.483 1.00 0.47 H new ATOM 1201 N LEU A 84 3.142 1.821 7.437 1.00 0.32 N ATOM 1202 CA LEU A 84 4.114 1.611 6.369 1.00 0.31 C ATOM 1203 C LEU A 84 4.985 2.842 6.136 1.00 0.35 C ATOM 1204 O LEU A 84 6.132 2.722 5.707 1.00 0.42 O ATOM 1205 CB LEU A 84 3.412 1.217 5.072 1.00 0.29 C ATOM 1206 CG LEU A 84 2.790 -0.178 5.087 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.569 -0.225 4.188 1.00 0.40 C ATOM 1208 CD2 LEU A 84 3.809 -1.221 4.651 1.00 0.48 C ATOM 0 H LEU A 84 2.173 1.682 7.152 1.00 0.32 H new ATOM 0 HA LEU A 84 4.766 0.797 6.687 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.631 1.947 4.860 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.130 1.272 4.254 1.00 0.29 H new ATOM 0 HG LEU A 84 2.478 -0.404 6.107 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.139 -1.226 4.211 1.00 0.40 H new ATOM 0 HD12 LEU A 84 0.830 0.495 4.539 1.00 0.40 H new ATOM 0 HD13 LEU A 84 1.859 0.022 3.167 1.00 0.40 H new ATOM 0 HD21 LEU A 84 3.348 -2.209 4.668 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.150 -0.997 3.640 1.00 0.48 H new ATOM 0 HD23 LEU A 84 4.660 -1.206 5.332 1.00 0.48 H new ATOM 1220 N SER A 85 4.454 4.023 6.440 1.00 0.37 N ATOM 1221 CA SER A 85 5.199 5.255 6.278 1.00 0.50 C ATOM 1222 C SER A 85 6.373 5.302 7.262 1.00 0.61 C ATOM 1223 O SER A 85 7.413 5.901 6.982 1.00 0.73 O ATOM 1224 CB SER A 85 4.257 6.439 6.491 1.00 0.57 C ATOM 1225 OG SER A 85 3.036 6.009 7.069 1.00 1.37 O ATOM 0 H SER A 85 3.508 4.147 6.800 1.00 0.37 H new ATOM 0 HA SER A 85 5.611 5.306 5.270 1.00 0.50 H new ATOM 0 HB2 SER A 85 4.732 7.176 7.138 1.00 0.57 H new ATOM 0 HB3 SER A 85 4.061 6.930 5.538 1.00 0.57 H new ATOM 0 HG SER A 85 3.178 5.802 8.016 1.00 1.37 H new ATOM 1231 N LYS A 86 6.203 4.634 8.404 1.00 0.60 N ATOM 1232 CA LYS A 86 7.247 4.566 9.422 1.00 0.74 C ATOM 1233 C LYS A 86 8.121 3.343 9.168 1.00 0.78 C ATOM 1234 O LYS A 86 9.333 3.364 9.389 1.00 0.98 O ATOM 1235 CB LYS A 86 6.625 4.485 10.827 1.00 0.75 C ATOM 1236 CG LYS A 86 5.815 5.710 11.229 1.00 1.29 C ATOM 1237 CD LYS A 86 4.394 5.326 11.620 1.00 1.79 C ATOM 1238 CE LYS A 86 4.340 4.629 12.977 1.00 2.34 C ATOM 1239 NZ LYS A 86 3.106 3.810 13.146 1.00 3.07 N ATOM 0 H LYS A 86 5.349 4.132 8.646 1.00 0.60 H new ATOM 0 HA LYS A 86 7.856 5.468 9.367 1.00 0.74 H new ATOM 0 HB2 LYS A 86 5.981 3.607 10.876 1.00 0.75 H new ATOM 0 HB3 LYS A 86 7.422 4.337 11.556 1.00 0.75 H new ATOM 0 HG2 LYS A 86 6.302 6.213 12.065 1.00 1.29 H new ATOM 0 HG3 LYS A 86 5.788 6.419 10.402 1.00 1.29 H new ATOM 0 HD2 LYS A 86 3.772 6.221 11.647 1.00 1.79 H new ATOM 0 HD3 LYS A 86 3.974 4.669 10.858 1.00 1.79 H new ATOM 0 HE2 LYS A 86 5.216 3.989 13.089 1.00 2.34 H new ATOM 0 HE3 LYS A 86 4.388 5.377 13.769 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 2.920 3.667 14.159 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 2.300 4.304 12.713 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 3.236 2.887 12.684 1.00 3.07 H new ATOM 1253 N LYS A 87 7.482 2.281 8.688 1.00 0.75 N ATOM 1254 CA LYS A 87 8.162 1.030 8.379 1.00 0.86 C ATOM 1255 C LYS A 87 9.142 1.209 7.219 1.00 0.93 C ATOM 1256 O LYS A 87 10.117 0.468 7.111 1.00 1.11 O ATOM 1257 CB LYS A 87 7.133 -0.049 8.022 1.00 0.91 C ATOM 1258 CG LYS A 87 6.173 -0.367 9.137 1.00 1.01 C ATOM 1259 CD LYS A 87 6.500 -1.697 9.777 1.00 1.35 C ATOM 1260 CE LYS A 87 5.904 -1.769 11.163 1.00 2.18 C ATOM 1261 NZ LYS A 87 6.892 -1.457 12.233 1.00 2.78 N ATOM 0 H LYS A 87 6.479 2.264 8.503 1.00 0.75 H new ATOM 0 HA LYS A 87 8.724 0.722 9.261 1.00 0.86 H new ATOM 0 HB2 LYS A 87 6.567 0.277 7.150 1.00 0.91 H new ATOM 0 HB3 LYS A 87 7.660 -0.960 7.738 1.00 0.91 H new ATOM 0 HG2 LYS A 87 6.211 0.421 9.889 1.00 1.01 H new ATOM 0 HG3 LYS A 87 5.155 -0.388 8.749 1.00 1.01 H new ATOM 0 HD2 LYS A 87 6.111 -2.510 9.163 1.00 1.35 H new ATOM 0 HD3 LYS A 87 7.581 -1.827 9.831 1.00 1.35 H new ATOM 0 HE2 LYS A 87 5.069 -1.072 11.231 1.00 2.18 H new ATOM 0 HE3 LYS A 87 5.500 -2.768 11.328 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 6.429 -1.521 13.162 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 7.677 -2.137 12.189 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 7.260 -0.494 12.096 1.00 2.78 H new