USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 486 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 10 TYR OH : rot 120:sc= -0.112 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 38 MET CE :methyl -157:sc= -0.0806 (180deg=-1.06) USER MOD Set 2.2: A 44 MET CE :methyl -162:sc= -0.176 (180deg=-0.976) USER MOD Set 3.1: A 28 MET CE :methyl 131:sc= 0 (180deg=-1.7!) USER MOD Set 3.2: A 36 MET CE :methyl -164:sc= -0.581 (180deg=-0.779) USER MOD Set 4.1: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 9 THR OG1 : rot -83:sc= 0.444 USER MOD Set 4.3: A 19 HIS : no HD1:sc= -2.01 K(o=-1.6,f=-13!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.44) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= -0.226 (180deg=-0.465) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0937) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.16) USER MOD Single : A 26 MET CE :methyl -111:sc= -0.438 (180deg=-4.48!) USER MOD Single : A 30 ASN : amide:sc= -2.13 K(o=-2.1,f=-11!) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 1.24 (180deg=1.07) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0914 (180deg=-0.479) USER MOD Single : A 35 SER OG : rot 38:sc= 0.0367 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -66:sc= 1.69 USER MOD Single : A 51 LYS NZ :NH3+ -112:sc= -0.536! (180deg=-4.92!) USER MOD Single : A 54 MET CE :methyl -115:sc= -0.97 (180deg=-2.17) USER MOD Single : A 55 LYS NZ :NH3+ 140:sc= 1.24 (180deg=-0.0369) USER MOD Single : A 57 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 31 N MET A 3 8.993 0.810 10.145 1.00 0.96 N ATOM 32 CA MET A 3 7.666 1.109 10.665 1.00 0.96 C ATOM 33 C MET A 3 7.626 2.478 11.341 1.00 0.91 C ATOM 34 O MET A 3 6.655 2.818 12.015 1.00 1.26 O ATOM 35 CB MET A 3 7.247 0.032 11.658 1.00 1.43 C ATOM 36 CG MET A 3 6.991 -1.304 10.998 1.00 1.59 C ATOM 37 SD MET A 3 5.569 -1.256 9.893 1.00 2.01 S ATOM 38 CE MET A 3 5.829 -2.767 8.980 1.00 2.17 C ATOM 0 HA MET A 3 6.971 1.127 9.825 1.00 0.96 H new ATOM 0 HB2 MET A 3 8.025 -0.083 12.412 1.00 1.43 H new ATOM 0 HB3 MET A 3 6.345 0.354 12.178 1.00 1.43 H new ATOM 0 HG2 MET A 3 7.875 -1.605 10.436 1.00 1.59 H new ATOM 0 HG3 MET A 3 6.827 -2.061 11.765 1.00 1.59 H new ATOM 0 HE1 MET A 3 5.031 -2.891 8.248 1.00 2.17 H new ATOM 0 HE2 MET A 3 6.789 -2.721 8.466 1.00 2.17 H new ATOM 0 HE3 MET A 3 5.826 -3.613 9.668 1.00 2.17 H new ATOM 48 N SER A 4 8.679 3.257 11.154 1.00 0.78 N ATOM 49 CA SER A 4 8.802 4.542 11.820 1.00 0.78 C ATOM 50 C SER A 4 8.249 5.665 10.948 1.00 0.72 C ATOM 51 O SER A 4 7.630 6.604 11.444 1.00 0.81 O ATOM 52 CB SER A 4 10.271 4.810 12.141 1.00 0.86 C ATOM 53 OG SER A 4 10.909 3.631 12.608 1.00 1.47 O ATOM 0 H SER A 4 9.462 3.021 10.545 1.00 0.78 H new ATOM 0 HA SER A 4 8.223 4.512 12.743 1.00 0.78 H new ATOM 0 HB2 SER A 4 10.781 5.176 11.250 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.346 5.593 12.896 1.00 0.86 H new ATOM 0 HG SER A 4 11.849 3.824 12.806 1.00 1.47 H new ATOM 59 N ASN A 5 8.472 5.557 9.646 1.00 0.64 N ATOM 60 CA ASN A 5 8.066 6.603 8.714 1.00 0.64 C ATOM 61 C ASN A 5 6.860 6.174 7.887 1.00 0.57 C ATOM 62 O ASN A 5 6.287 6.960 7.147 1.00 0.68 O ATOM 63 CB ASN A 5 9.262 6.997 7.827 1.00 0.69 C ATOM 64 CG ASN A 5 8.891 7.413 6.413 1.00 1.19 C ATOM 65 OD1 ASN A 5 8.664 8.588 6.133 1.00 1.89 O ATOM 66 ND2 ASN A 5 8.822 6.444 5.513 1.00 1.24 N ATOM 0 H ASN A 5 8.931 4.757 9.210 1.00 0.64 H new ATOM 0 HA ASN A 5 7.755 7.481 9.281 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.797 7.818 8.305 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.952 6.155 7.775 1.00 0.69 H new ATOM 0 HD21 ASN A 5 8.573 6.661 4.548 1.00 1.24 H new ATOM 0 HD22 ASN A 5 9.018 5.481 5.785 1.00 1.24 H new ATOM 73 N VAL A 6 6.460 4.935 8.025 1.00 0.44 N ATOM 74 CA VAL A 6 5.309 4.445 7.292 1.00 0.40 C ATOM 75 C VAL A 6 4.040 4.553 8.149 1.00 0.40 C ATOM 76 O VAL A 6 4.086 4.338 9.360 1.00 0.47 O ATOM 77 CB VAL A 6 5.542 2.993 6.825 1.00 0.43 C ATOM 78 CG1 VAL A 6 5.376 1.996 7.961 1.00 0.98 C ATOM 79 CG2 VAL A 6 4.629 2.656 5.670 1.00 1.25 C ATOM 0 H VAL A 6 6.907 4.248 8.632 1.00 0.44 H new ATOM 0 HA VAL A 6 5.171 5.065 6.406 1.00 0.40 H new ATOM 0 HB VAL A 6 6.575 2.919 6.485 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.549 0.987 7.587 1.00 0.98 H new ATOM 0 HG12 VAL A 6 6.095 2.219 8.749 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.365 2.066 8.362 1.00 0.98 H new ATOM 0 HG21 VAL A 6 4.807 1.628 5.353 1.00 1.25 H new ATOM 0 HG22 VAL A 6 3.591 2.765 5.983 1.00 1.25 H new ATOM 0 HG23 VAL A 6 4.830 3.332 4.838 1.00 1.25 H new ATOM 89 N VAL A 7 2.916 4.924 7.530 1.00 0.38 N ATOM 90 CA VAL A 7 1.646 5.004 8.260 1.00 0.41 C ATOM 91 C VAL A 7 0.850 3.718 8.106 1.00 0.37 C ATOM 92 O VAL A 7 0.002 3.401 8.943 1.00 0.42 O ATOM 93 CB VAL A 7 0.756 6.199 7.827 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.381 7.511 8.250 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.494 6.199 6.326 1.00 1.03 C ATOM 0 H VAL A 7 2.857 5.170 6.542 1.00 0.38 H new ATOM 0 HA VAL A 7 1.921 5.159 9.303 1.00 0.41 H new ATOM 0 HB VAL A 7 -0.204 6.085 8.330 1.00 0.52 H new ATOM 0 HG11 VAL A 7 0.741 8.336 7.937 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.491 7.529 9.334 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.361 7.614 7.784 1.00 0.94 H new ATOM 0 HG21 VAL A 7 -0.133 7.052 6.066 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.441 6.268 5.791 1.00 1.03 H new ATOM 0 HG23 VAL A 7 -0.014 5.276 6.045 1.00 1.03 H new ATOM 105 N LYS A 8 1.117 2.981 7.035 1.00 0.34 N ATOM 106 CA LYS A 8 0.468 1.703 6.820 1.00 0.35 C ATOM 107 C LYS A 8 1.257 0.856 5.842 1.00 0.31 C ATOM 108 O LYS A 8 1.725 1.337 4.809 1.00 0.35 O ATOM 109 CB LYS A 8 -0.953 1.897 6.297 1.00 0.44 C ATOM 110 CG LYS A 8 -1.826 0.658 6.405 1.00 0.50 C ATOM 111 CD LYS A 8 -2.186 0.365 7.854 1.00 0.57 C ATOM 112 CE LYS A 8 -3.188 -0.772 7.974 1.00 1.01 C ATOM 113 NZ LYS A 8 -3.649 -0.947 9.376 1.00 1.41 N ATOM 0 H LYS A 8 1.778 3.249 6.306 1.00 0.34 H new ATOM 0 HA LYS A 8 0.425 1.189 7.780 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.424 2.710 6.849 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.906 2.206 5.253 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.736 0.799 5.822 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -1.303 -0.197 5.977 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -1.282 0.111 8.408 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -2.600 1.263 8.313 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -4.045 -0.572 7.331 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -2.733 -1.698 7.621 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -4.331 -1.731 9.422 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -2.834 -1.162 9.985 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -4.105 -0.071 9.703 1.00 1.41 H new ATOM 127 N THR A 9 1.387 -0.404 6.179 1.00 0.33 N ATOM 128 CA THR A 9 2.072 -1.359 5.336 1.00 0.32 C ATOM 129 C THR A 9 1.121 -2.491 4.972 1.00 0.35 C ATOM 130 O THR A 9 0.388 -3.002 5.819 1.00 0.39 O ATOM 131 CB THR A 9 3.349 -1.896 6.019 1.00 0.33 C ATOM 132 OG1 THR A 9 4.382 -0.905 5.959 1.00 0.40 O ATOM 133 CG2 THR A 9 3.841 -3.187 5.378 1.00 0.33 C ATOM 0 H THR A 9 1.021 -0.799 7.046 1.00 0.33 H new ATOM 0 HA THR A 9 2.388 -0.858 4.421 1.00 0.32 H new ATOM 0 HB THR A 9 3.100 -2.116 7.057 1.00 0.33 H new ATOM 0 HG1 THR A 9 4.836 -0.958 5.092 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.741 -3.528 5.890 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.067 -3.950 5.457 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.068 -3.008 4.327 1.00 0.33 H new ATOM 141 N TYR A 10 1.132 -2.858 3.706 1.00 0.37 N ATOM 142 CA TYR A 10 0.252 -3.882 3.194 1.00 0.42 C ATOM 143 C TYR A 10 1.014 -5.058 2.674 1.00 0.38 C ATOM 144 O TYR A 10 1.997 -4.925 1.952 1.00 0.35 O ATOM 145 CB TYR A 10 -0.661 -3.323 2.115 1.00 0.47 C ATOM 146 CG TYR A 10 -1.857 -2.631 2.694 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.824 -3.364 3.355 1.00 0.70 C ATOM 148 CD2 TYR A 10 -2.008 -1.256 2.612 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.920 -2.757 3.912 1.00 0.84 C ATOM 150 CE2 TYR A 10 -3.105 -0.633 3.166 1.00 0.82 C ATOM 151 CZ TYR A 10 -4.059 -1.386 3.820 1.00 0.91 C ATOM 152 OH TYR A 10 -5.158 -0.763 4.367 1.00 1.06 O ATOM 0 H TYR A 10 1.753 -2.453 3.005 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.362 -4.225 4.027 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.102 -2.622 1.495 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -0.991 -4.133 1.464 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.714 -4.435 3.434 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.257 -0.666 2.108 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.669 -3.347 4.419 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -3.218 0.438 3.089 1.00 0.82 H new ATOM 0 HH TYR A 10 -4.865 -0.121 5.047 1.00 1.06 H new ATOM 162 N ASP A 11 0.546 -6.211 3.061 1.00 0.42 N ATOM 163 CA ASP A 11 1.122 -7.444 2.598 1.00 0.42 C ATOM 164 C ASP A 11 0.204 -8.041 1.554 1.00 0.39 C ATOM 165 O ASP A 11 -0.989 -8.240 1.788 1.00 0.40 O ATOM 166 CB ASP A 11 1.360 -8.420 3.746 1.00 0.52 C ATOM 167 CG ASP A 11 2.158 -9.638 3.316 1.00 1.25 C ATOM 168 OD1 ASP A 11 1.629 -10.459 2.535 1.00 1.94 O ATOM 169 OD2 ASP A 11 3.310 -9.785 3.778 1.00 1.69 O ATOM 0 H ASP A 11 -0.240 -6.324 3.702 1.00 0.42 H new ATOM 0 HA ASP A 11 2.098 -7.241 2.157 1.00 0.42 H new ATOM 0 HB2 ASP A 11 1.889 -7.908 4.550 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.400 -8.742 4.150 1.00 0.52 H new ATOM 174 N LEU A 12 0.786 -8.318 0.418 1.00 0.38 N ATOM 175 CA LEU A 12 0.054 -8.742 -0.769 1.00 0.41 C ATOM 176 C LEU A 12 -0.496 -10.158 -0.644 1.00 0.54 C ATOM 177 O LEU A 12 -1.073 -10.679 -1.604 1.00 1.50 O ATOM 178 CB LEU A 12 0.950 -8.649 -2.004 1.00 0.40 C ATOM 179 CG LEU A 12 1.342 -7.227 -2.419 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.744 -7.202 -3.881 1.00 1.04 C ATOM 181 CD2 LEU A 12 0.204 -6.248 -2.164 1.00 1.04 C ATOM 0 H LEU A 12 1.795 -8.258 0.278 1.00 0.38 H new ATOM 0 HA LEU A 12 -0.796 -8.068 -0.872 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.860 -9.220 -1.817 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.440 -9.127 -2.840 1.00 0.40 H new ATOM 0 HG LEU A 12 2.193 -6.917 -1.813 1.00 0.46 H new ATOM 0 HD11 LEU A 12 2.021 -6.187 -4.165 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.594 -7.866 -4.036 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.907 -7.535 -4.494 1.00 1.04 H new ATOM 0 HD21 LEU A 12 0.510 -5.247 -2.468 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -0.671 -6.550 -2.739 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.043 -6.245 -1.102 1.00 1.04 H new ATOM 193 N GLN A 13 -0.242 -10.799 0.503 1.00 0.65 N ATOM 194 CA GLN A 13 -0.817 -12.108 0.834 1.00 0.62 C ATOM 195 C GLN A 13 0.078 -13.200 0.264 1.00 0.62 C ATOM 196 O GLN A 13 0.104 -14.333 0.753 1.00 0.74 O ATOM 197 CB GLN A 13 -2.255 -12.240 0.313 1.00 0.69 C ATOM 198 CG GLN A 13 -2.957 -13.520 0.727 1.00 0.89 C ATOM 199 CD GLN A 13 -4.273 -13.725 -0.003 1.00 1.08 C ATOM 200 OE1 GLN A 13 -4.700 -14.856 -0.224 1.00 1.68 O ATOM 201 NE2 GLN A 13 -4.923 -12.637 -0.384 1.00 1.61 N ATOM 0 H GLN A 13 0.369 -10.424 1.229 1.00 0.65 H new ATOM 0 HA GLN A 13 -0.867 -12.210 1.918 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -2.837 -11.390 0.669 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.241 -12.184 -0.775 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.302 -14.369 0.533 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.141 -13.498 1.801 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -4.536 -11.715 -0.182 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -5.811 -12.720 -0.879 1.00 1.61 H new ATOM 210 N ASP A 14 0.823 -12.834 -0.770 1.00 0.55 N ATOM 211 CA ASP A 14 1.799 -13.722 -1.377 1.00 0.64 C ATOM 212 C ASP A 14 3.170 -13.445 -0.774 1.00 0.54 C ATOM 213 O ASP A 14 4.063 -14.289 -0.804 1.00 0.70 O ATOM 214 CB ASP A 14 1.835 -13.525 -2.895 1.00 0.80 C ATOM 215 CG ASP A 14 2.761 -14.507 -3.590 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.537 -15.728 -3.480 1.00 1.98 O ATOM 217 OD2 ASP A 14 3.739 -14.059 -4.228 1.00 2.11 O ATOM 0 H ASP A 14 0.767 -11.915 -1.209 1.00 0.55 H new ATOM 0 HA ASP A 14 1.517 -14.756 -1.178 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.827 -13.636 -3.296 1.00 0.80 H new ATOM 0 HB3 ASP A 14 2.157 -12.508 -3.118 1.00 0.80 H new ATOM 222 N GLY A 15 3.313 -12.252 -0.207 1.00 0.55 N ATOM 223 CA GLY A 15 4.537 -11.907 0.479 1.00 0.73 C ATOM 224 C GLY A 15 5.003 -10.490 0.228 1.00 0.75 C ATOM 225 O GLY A 15 5.656 -9.891 1.086 1.00 1.28 O ATOM 0 H GLY A 15 2.602 -11.521 -0.212 1.00 0.55 H new ATOM 0 HA2 GLY A 15 4.393 -12.047 1.550 1.00 0.73 H new ATOM 0 HA3 GLY A 15 5.322 -12.597 0.170 1.00 0.73 H new ATOM 229 N SER A 16 4.693 -9.950 -0.946 1.00 0.37 N ATOM 230 CA SER A 16 5.158 -8.622 -1.300 1.00 0.35 C ATOM 231 C SER A 16 4.517 -7.580 -0.394 1.00 0.29 C ATOM 232 O SER A 16 3.395 -7.758 0.075 1.00 0.33 O ATOM 233 CB SER A 16 4.846 -8.321 -2.760 1.00 0.44 C ATOM 234 OG SER A 16 5.146 -9.442 -3.583 1.00 1.07 O ATOM 0 H SER A 16 4.127 -10.409 -1.660 1.00 0.37 H new ATOM 0 HA SER A 16 6.239 -8.584 -1.164 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.793 -8.059 -2.865 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.424 -7.457 -3.089 1.00 0.44 H new ATOM 0 HG SER A 16 4.937 -9.228 -4.516 1.00 1.07 H new ATOM 240 N LYS A 17 5.235 -6.503 -0.140 1.00 0.26 N ATOM 241 CA LYS A 17 4.799 -5.527 0.838 1.00 0.28 C ATOM 242 C LYS A 17 4.711 -4.131 0.231 1.00 0.30 C ATOM 243 O LYS A 17 5.665 -3.633 -0.351 1.00 0.43 O ATOM 244 CB LYS A 17 5.772 -5.526 2.017 1.00 0.31 C ATOM 245 CG LYS A 17 6.119 -6.924 2.496 1.00 0.71 C ATOM 246 CD LYS A 17 6.909 -6.903 3.787 1.00 0.66 C ATOM 247 CE LYS A 17 7.229 -8.313 4.248 1.00 0.84 C ATOM 248 NZ LYS A 17 6.003 -9.139 4.415 1.00 1.84 N ATOM 0 H LYS A 17 6.120 -6.283 -0.596 1.00 0.26 H new ATOM 0 HA LYS A 17 3.801 -5.802 1.180 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.687 -5.009 1.727 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.336 -4.962 2.842 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.202 -7.495 2.642 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.696 -7.438 1.727 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.834 -6.344 3.643 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.340 -6.384 4.558 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.891 -8.789 3.524 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.769 -8.271 5.194 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 6.088 -9.717 5.276 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 5.174 -8.517 4.496 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 5.889 -9.762 3.590 1.00 1.84 H new ATOM 262 N VAL A 18 3.555 -3.508 0.387 1.00 0.28 N ATOM 263 CA VAL A 18 3.334 -2.141 -0.057 1.00 0.30 C ATOM 264 C VAL A 18 3.315 -1.229 1.153 1.00 0.31 C ATOM 265 O VAL A 18 2.838 -1.621 2.212 1.00 0.41 O ATOM 266 CB VAL A 18 1.998 -2.018 -0.817 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.686 -0.567 -1.169 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.027 -2.874 -2.074 1.00 0.36 C ATOM 0 H VAL A 18 2.741 -3.937 0.826 1.00 0.28 H new ATOM 0 HA VAL A 18 4.139 -1.855 -0.734 1.00 0.30 H new ATOM 0 HB VAL A 18 1.206 -2.377 -0.160 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.738 -0.518 -1.704 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.618 0.023 -0.255 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.479 -0.167 -1.800 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.078 -2.778 -2.601 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.838 -2.541 -2.722 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.186 -3.917 -1.800 1.00 0.36 H new ATOM 278 N HIS A 19 3.874 -0.044 1.040 1.00 0.29 N ATOM 279 CA HIS A 19 3.914 0.855 2.171 1.00 0.29 C ATOM 280 C HIS A 19 3.423 2.222 1.769 1.00 0.30 C ATOM 281 O HIS A 19 3.872 2.775 0.769 1.00 0.34 O ATOM 282 CB HIS A 19 5.337 0.993 2.719 1.00 0.32 C ATOM 283 CG HIS A 19 6.106 -0.284 2.828 1.00 0.32 C ATOM 284 ND1 HIS A 19 5.531 -1.506 3.087 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.423 -0.522 2.673 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.462 -2.439 3.078 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.618 -1.866 2.827 1.00 0.41 N ATOM 0 H HIS A 19 4.302 0.316 0.187 1.00 0.29 H new ATOM 0 HA HIS A 19 3.270 0.436 2.944 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.891 1.678 2.077 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.286 1.452 3.706 1.00 0.32 H new ATOM 0 HD2 HIS A 19 8.185 0.214 2.465 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.302 -3.494 3.248 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.515 -2.346 2.758 1.00 0.41 H new ATOM 296 N VAL A 20 2.505 2.758 2.547 1.00 0.31 N ATOM 297 CA VAL A 20 2.104 4.138 2.391 1.00 0.33 C ATOM 298 C VAL A 20 2.830 4.935 3.456 1.00 0.32 C ATOM 299 O VAL A 20 2.580 4.775 4.651 1.00 0.33 O ATOM 300 CB VAL A 20 0.578 4.336 2.515 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.209 5.798 2.277 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.158 3.434 1.530 1.00 0.81 C ATOM 0 H VAL A 20 2.023 2.257 3.294 1.00 0.31 H new ATOM 0 HA VAL A 20 2.365 4.476 1.388 1.00 0.33 H new ATOM 0 HB VAL A 20 0.275 4.063 3.526 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.870 5.920 2.368 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.709 6.424 3.016 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.525 6.095 1.277 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.233 3.586 1.631 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.150 3.678 0.513 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.082 2.392 1.741 1.00 0.81 H new ATOM 312 N PHE A 21 3.755 5.756 3.028 1.00 0.34 N ATOM 313 CA PHE A 21 4.677 6.389 3.941 1.00 0.37 C ATOM 314 C PHE A 21 4.120 7.719 4.442 1.00 0.39 C ATOM 315 O PHE A 21 3.190 8.273 3.851 1.00 0.40 O ATOM 316 CB PHE A 21 6.034 6.576 3.252 1.00 0.40 C ATOM 317 CG PHE A 21 6.707 5.279 2.854 1.00 0.41 C ATOM 318 CD1 PHE A 21 7.283 4.458 3.818 1.00 0.58 C ATOM 319 CD2 PHE A 21 6.800 4.890 1.519 1.00 0.37 C ATOM 320 CE1 PHE A 21 7.925 3.289 3.465 1.00 0.64 C ATOM 321 CE2 PHE A 21 7.451 3.727 1.168 1.00 0.39 C ATOM 322 CZ PHE A 21 8.013 2.927 2.141 1.00 0.51 C ATOM 0 H PHE A 21 3.891 6.004 2.048 1.00 0.34 H new ATOM 0 HA PHE A 21 4.814 5.748 4.812 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.896 7.190 2.362 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.696 7.127 3.920 1.00 0.40 H new ATOM 0 HD1 PHE A 21 7.227 4.740 4.859 1.00 0.58 H new ATOM 0 HD2 PHE A 21 6.357 5.507 0.751 1.00 0.37 H new ATOM 0 HE1 PHE A 21 8.358 2.659 4.228 1.00 0.64 H new ATOM 0 HE2 PHE A 21 7.521 3.441 0.129 1.00 0.39 H new ATOM 0 HZ PHE A 21 8.522 2.016 1.863 1.00 0.51 H new ATOM 332 N LYS A 22 4.689 8.230 5.531 1.00 0.44 N ATOM 333 CA LYS A 22 4.254 9.495 6.129 1.00 0.50 C ATOM 334 C LYS A 22 4.561 10.657 5.194 1.00 0.52 C ATOM 335 O LYS A 22 3.964 11.730 5.286 1.00 0.57 O ATOM 336 CB LYS A 22 4.960 9.720 7.471 1.00 0.61 C ATOM 337 CG LYS A 22 4.414 8.878 8.610 1.00 1.37 C ATOM 338 CD LYS A 22 5.346 8.876 9.814 1.00 1.46 C ATOM 339 CE LYS A 22 5.603 10.279 10.343 1.00 2.02 C ATOM 340 NZ LYS A 22 4.349 10.945 10.780 1.00 2.87 N ATOM 0 H LYS A 22 5.462 7.783 6.024 1.00 0.44 H new ATOM 0 HA LYS A 22 3.178 9.443 6.294 1.00 0.50 H new ATOM 0 HB2 LYS A 22 6.022 9.504 7.351 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.877 10.773 7.740 1.00 0.61 H new ATOM 0 HG2 LYS A 22 3.438 9.260 8.908 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.264 7.855 8.265 1.00 1.37 H new ATOM 0 HD2 LYS A 22 4.913 8.265 10.606 1.00 1.46 H new ATOM 0 HD3 LYS A 22 6.294 8.414 9.537 1.00 1.46 H new ATOM 0 HE2 LYS A 22 6.299 10.229 11.181 1.00 2.02 H new ATOM 0 HE3 LYS A 22 6.081 10.878 9.567 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 4.579 11.840 11.257 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 3.751 11.138 9.951 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 3.837 10.324 11.439 1.00 2.87 H new ATOM 354 N ASP A 23 5.499 10.418 4.291 1.00 0.54 N ATOM 355 CA ASP A 23 5.921 11.398 3.309 1.00 0.61 C ATOM 356 C ASP A 23 4.883 11.453 2.221 1.00 0.59 C ATOM 357 O ASP A 23 4.836 12.374 1.410 1.00 0.67 O ATOM 358 CB ASP A 23 7.280 10.991 2.732 1.00 0.68 C ATOM 359 CG ASP A 23 7.737 11.863 1.581 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.344 12.925 1.835 1.00 1.91 O ATOM 361 OD2 ASP A 23 7.470 11.505 0.416 1.00 1.97 O ATOM 0 H ASP A 23 5.992 9.528 4.221 1.00 0.54 H new ATOM 0 HA ASP A 23 6.023 12.381 3.768 1.00 0.61 H new ATOM 0 HB2 ASP A 23 8.028 11.029 3.524 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.226 9.956 2.394 1.00 0.68 H new ATOM 366 N GLY A 24 4.023 10.456 2.249 1.00 0.53 N ATOM 367 CA GLY A 24 2.975 10.365 1.292 1.00 0.53 C ATOM 368 C GLY A 24 3.332 9.498 0.110 1.00 0.53 C ATOM 369 O GLY A 24 2.487 9.231 -0.740 1.00 0.58 O ATOM 0 H GLY A 24 4.042 9.700 2.934 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.084 9.964 1.774 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.724 11.365 0.940 1.00 0.53 H new ATOM 373 N LYS A 25 4.586 9.063 0.039 1.00 0.50 N ATOM 374 CA LYS A 25 5.005 8.143 -1.002 1.00 0.51 C ATOM 375 C LYS A 25 4.580 6.725 -0.691 1.00 0.42 C ATOM 376 O LYS A 25 4.111 6.417 0.406 1.00 0.41 O ATOM 377 CB LYS A 25 6.517 8.156 -1.182 1.00 0.62 C ATOM 378 CG LYS A 25 7.012 9.276 -2.063 1.00 0.94 C ATOM 379 CD LYS A 25 8.446 9.037 -2.494 1.00 1.49 C ATOM 380 CE LYS A 25 9.403 8.999 -1.312 1.00 1.50 C ATOM 381 NZ LYS A 25 9.630 10.347 -0.728 1.00 1.74 N ATOM 0 H LYS A 25 5.324 9.334 0.689 1.00 0.50 H new ATOM 0 HA LYS A 25 4.522 8.479 -1.920 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.990 8.239 -0.203 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.832 7.204 -1.609 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.374 9.360 -2.943 1.00 0.94 H new ATOM 0 HG3 LYS A 25 6.943 10.223 -1.527 1.00 0.94 H new ATOM 0 HD2 LYS A 25 8.507 8.095 -3.039 1.00 1.49 H new ATOM 0 HD3 LYS A 25 8.753 9.825 -3.182 1.00 1.49 H new ATOM 0 HE2 LYS A 25 9.004 8.335 -0.545 1.00 1.50 H new ATOM 0 HE3 LYS A 25 10.356 8.579 -1.632 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.248 10.265 0.105 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 10.082 10.960 -1.436 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 8.719 10.760 -0.444 1.00 1.74 H new ATOM 395 N MET A 26 4.778 5.869 -1.665 1.00 0.42 N ATOM 396 CA MET A 26 4.499 4.459 -1.529 1.00 0.41 C ATOM 397 C MET A 26 5.685 3.648 -2.004 1.00 0.42 C ATOM 398 O MET A 26 6.308 3.973 -3.016 1.00 0.49 O ATOM 399 CB MET A 26 3.257 4.058 -2.318 1.00 0.47 C ATOM 400 CG MET A 26 1.950 4.405 -1.626 1.00 0.73 C ATOM 401 SD MET A 26 1.557 6.166 -1.653 1.00 1.07 S ATOM 402 CE MET A 26 1.444 6.463 -3.414 1.00 0.76 C ATOM 0 H MET A 26 5.140 6.133 -2.581 1.00 0.42 H new ATOM 0 HA MET A 26 4.314 4.256 -0.474 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.283 4.548 -3.291 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.286 2.984 -2.501 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.140 3.854 -2.103 1.00 0.73 H new ATOM 0 HG3 MET A 26 1.998 4.069 -0.590 1.00 0.73 H new ATOM 0 HE1 MET A 26 2.280 7.086 -3.732 1.00 0.76 H new ATOM 0 HE2 MET A 26 1.477 5.512 -3.946 1.00 0.76 H new ATOM 0 HE3 MET A 26 0.506 6.972 -3.638 1.00 0.76 H new ATOM 412 N GLY A 27 6.000 2.608 -1.263 1.00 0.39 N ATOM 413 CA GLY A 27 7.114 1.765 -1.609 1.00 0.39 C ATOM 414 C GLY A 27 6.715 0.314 -1.624 1.00 0.32 C ATOM 415 O GLY A 27 5.960 -0.129 -0.757 1.00 0.33 O ATOM 0 H GLY A 27 5.499 2.330 -0.419 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.498 2.049 -2.589 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.923 1.915 -0.894 1.00 0.39 H new ATOM 419 N MET A 28 7.204 -0.425 -2.599 1.00 0.28 N ATOM 420 CA MET A 28 6.829 -1.817 -2.751 1.00 0.27 C ATOM 421 C MET A 28 8.040 -2.724 -2.600 1.00 0.26 C ATOM 422 O MET A 28 9.103 -2.470 -3.167 1.00 0.31 O ATOM 423 CB MET A 28 6.163 -2.035 -4.110 1.00 0.34 C ATOM 424 CG MET A 28 5.610 -3.439 -4.305 1.00 0.45 C ATOM 425 SD MET A 28 4.780 -3.643 -5.892 1.00 0.87 S ATOM 426 CE MET A 28 4.283 -5.360 -5.791 1.00 0.72 C ATOM 0 H MET A 28 7.863 -0.085 -3.299 1.00 0.28 H new ATOM 0 HA MET A 28 6.118 -2.071 -1.965 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.352 -1.316 -4.226 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.888 -1.828 -4.897 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.424 -4.160 -4.230 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.909 -3.664 -3.501 1.00 0.45 H new ATOM 0 HE1 MET A 28 3.230 -5.450 -6.058 1.00 0.72 H new ATOM 0 HE2 MET A 28 4.884 -5.954 -6.479 1.00 0.72 H new ATOM 0 HE3 MET A 28 4.432 -5.723 -4.774 1.00 0.72 H new ATOM 436 N GLU A 29 7.859 -3.775 -1.823 1.00 0.24 N ATOM 437 CA GLU A 29 8.874 -4.790 -1.622 1.00 0.26 C ATOM 438 C GLU A 29 8.316 -6.124 -2.059 1.00 0.27 C ATOM 439 O GLU A 29 7.112 -6.341 -1.978 1.00 0.29 O ATOM 440 CB GLU A 29 9.297 -4.868 -0.151 1.00 0.34 C ATOM 441 CG GLU A 29 10.258 -3.773 0.265 1.00 0.47 C ATOM 442 CD GLU A 29 10.519 -3.761 1.755 1.00 0.56 C ATOM 443 OE1 GLU A 29 11.335 -4.578 2.226 1.00 1.14 O ATOM 444 OE2 GLU A 29 9.910 -2.933 2.464 1.00 0.68 O ATOM 0 H GLU A 29 6.995 -3.949 -1.309 1.00 0.24 H new ATOM 0 HA GLU A 29 9.754 -4.531 -2.211 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.408 -4.817 0.477 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.762 -5.837 0.033 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.202 -3.903 -0.264 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.854 -2.807 -0.037 1.00 0.47 H new ATOM 451 N ASN A 30 9.163 -7.003 -2.539 1.00 0.32 N ATOM 452 CA ASN A 30 8.720 -8.337 -2.900 1.00 0.39 C ATOM 453 C ASN A 30 8.771 -9.252 -1.686 1.00 0.42 C ATOM 454 O ASN A 30 9.303 -8.878 -0.642 1.00 0.42 O ATOM 455 CB ASN A 30 9.575 -8.920 -4.030 1.00 0.47 C ATOM 456 CG ASN A 30 11.058 -8.946 -3.707 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.468 -8.810 -2.559 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.872 -9.153 -4.720 1.00 1.12 N ATOM 0 H ASN A 30 10.156 -6.825 -2.689 1.00 0.32 H new ATOM 0 HA ASN A 30 7.692 -8.265 -3.255 1.00 0.39 H new ATOM 0 HB2 ASN A 30 9.239 -9.934 -4.245 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.417 -8.334 -4.935 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.879 -9.205 -4.563 1.00 1.12 H new ATOM 0 HD22 ASN A 30 11.496 -9.262 -5.662 1.00 1.12 H new ATOM 465 N LYS A 31 8.192 -10.439 -1.819 1.00 0.48 N ATOM 466 CA LYS A 31 8.292 -11.483 -0.792 1.00 0.54 C ATOM 467 C LYS A 31 9.738 -11.908 -0.491 1.00 0.58 C ATOM 468 O LYS A 31 9.964 -12.835 0.286 1.00 0.69 O ATOM 469 CB LYS A 31 7.472 -12.698 -1.220 1.00 0.62 C ATOM 470 CG LYS A 31 7.809 -13.217 -2.604 1.00 0.66 C ATOM 471 CD LYS A 31 6.778 -14.232 -3.061 1.00 0.78 C ATOM 472 CE LYS A 31 7.029 -14.684 -4.487 1.00 1.32 C ATOM 473 NZ LYS A 31 5.904 -15.499 -5.008 1.00 1.77 N ATOM 0 H LYS A 31 7.642 -10.710 -2.634 1.00 0.48 H new ATOM 0 HA LYS A 31 7.897 -11.058 0.131 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.625 -13.499 -0.496 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.414 -12.438 -1.189 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.848 -12.387 -3.310 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.798 -13.674 -2.596 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.798 -15.096 -2.397 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.781 -13.797 -2.987 1.00 0.78 H new ATOM 0 HE2 LYS A 31 7.174 -13.812 -5.125 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.950 -15.266 -4.528 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.776 -15.306 -6.022 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 6.114 -16.508 -4.872 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 5.032 -15.255 -4.496 1.00 1.77 H new ATOM 487 N PHE A 32 10.708 -11.233 -1.094 1.00 0.58 N ATOM 488 CA PHE A 32 12.109 -11.503 -0.830 1.00 0.63 C ATOM 489 C PHE A 32 12.688 -10.369 0.011 1.00 0.56 C ATOM 490 O PHE A 32 13.852 -10.399 0.404 1.00 0.62 O ATOM 491 CB PHE A 32 12.889 -11.658 -2.141 1.00 0.69 C ATOM 492 CG PHE A 32 12.382 -12.772 -3.017 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.849 -14.067 -2.856 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.445 -12.520 -4.005 1.00 0.83 C ATOM 495 CE1 PHE A 32 12.391 -15.092 -3.664 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.982 -13.541 -4.814 1.00 0.96 C ATOM 497 CZ PHE A 32 11.437 -14.834 -4.627 1.00 1.07 C ATOM 0 H PHE A 32 10.545 -10.490 -1.773 1.00 0.58 H new ATOM 0 HA PHE A 32 12.197 -12.440 -0.280 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.841 -10.721 -2.695 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.939 -11.838 -1.910 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.580 -14.279 -2.090 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.072 -11.516 -4.145 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.779 -16.092 -3.541 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.264 -13.329 -5.593 1.00 0.96 H new ATOM 0 HZ PHE A 32 11.047 -15.639 -5.233 1.00 1.07 H new ATOM 507 N GLY A 33 11.855 -9.361 0.279 1.00 0.49 N ATOM 508 CA GLY A 33 12.218 -8.318 1.209 1.00 0.49 C ATOM 509 C GLY A 33 13.065 -7.224 0.607 1.00 0.45 C ATOM 510 O GLY A 33 13.846 -6.582 1.314 1.00 0.54 O ATOM 0 H GLY A 33 10.931 -9.255 -0.139 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.309 -7.876 1.616 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.758 -8.763 2.045 1.00 0.49 H new ATOM 514 N LYS A 34 12.932 -6.997 -0.687 1.00 0.42 N ATOM 515 CA LYS A 34 13.681 -5.925 -1.318 1.00 0.52 C ATOM 516 C LYS A 34 12.772 -5.023 -2.137 1.00 0.38 C ATOM 517 O LYS A 34 11.692 -5.430 -2.571 1.00 0.72 O ATOM 518 CB LYS A 34 14.852 -6.480 -2.150 1.00 0.85 C ATOM 519 CG LYS A 34 14.466 -7.261 -3.402 1.00 1.17 C ATOM 520 CD LYS A 34 14.232 -6.340 -4.590 1.00 1.92 C ATOM 521 CE LYS A 34 14.248 -7.098 -5.904 1.00 2.73 C ATOM 522 NZ LYS A 34 15.588 -7.674 -6.193 1.00 3.25 N ATOM 0 H LYS A 34 12.325 -7.528 -1.311 1.00 0.42 H new ATOM 0 HA LYS A 34 14.113 -5.308 -0.530 1.00 0.52 H new ATOM 0 HB2 LYS A 34 15.489 -5.647 -2.447 1.00 0.85 H new ATOM 0 HB3 LYS A 34 15.452 -7.128 -1.511 1.00 0.85 H new ATOM 0 HG2 LYS A 34 15.254 -7.974 -3.644 1.00 1.17 H new ATOM 0 HG3 LYS A 34 13.563 -7.839 -3.206 1.00 1.17 H new ATOM 0 HD2 LYS A 34 13.273 -5.834 -4.474 1.00 1.92 H new ATOM 0 HD3 LYS A 34 15.000 -5.567 -4.607 1.00 1.92 H new ATOM 0 HE2 LYS A 34 13.508 -7.898 -5.871 1.00 2.73 H new ATOM 0 HE3 LYS A 34 13.958 -6.428 -6.714 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 15.678 -7.849 -7.214 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 16.326 -7.006 -5.890 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 15.699 -8.570 -5.677 1.00 3.25 H new ATOM 536 N SER A 35 13.237 -3.802 -2.348 1.00 0.46 N ATOM 537 CA SER A 35 12.448 -2.771 -2.992 1.00 0.48 C ATOM 538 C SER A 35 12.343 -3.015 -4.495 1.00 0.58 C ATOM 539 O SER A 35 13.353 -3.170 -5.186 1.00 0.74 O ATOM 540 CB SER A 35 13.060 -1.403 -2.699 1.00 0.69 C ATOM 541 OG SER A 35 14.468 -1.417 -2.882 1.00 1.55 O ATOM 0 H SER A 35 14.173 -3.500 -2.076 1.00 0.46 H new ATOM 0 HA SER A 35 11.435 -2.799 -2.589 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.614 -0.655 -3.354 1.00 0.69 H new ATOM 0 HB3 SER A 35 12.827 -1.110 -1.675 1.00 0.69 H new ATOM 0 HG SER A 35 14.692 -1.977 -3.655 1.00 1.55 H new ATOM 547 N MET A 36 11.119 -3.042 -4.993 1.00 0.58 N ATOM 548 CA MET A 36 10.865 -3.348 -6.394 1.00 0.76 C ATOM 549 C MET A 36 10.023 -2.255 -7.043 1.00 0.87 C ATOM 550 O MET A 36 9.722 -1.239 -6.416 1.00 0.94 O ATOM 551 CB MET A 36 10.156 -4.701 -6.517 1.00 0.81 C ATOM 552 CG MET A 36 8.878 -4.796 -5.700 1.00 1.07 C ATOM 553 SD MET A 36 7.954 -6.312 -6.013 1.00 1.38 S ATOM 554 CE MET A 36 7.469 -6.057 -7.717 1.00 1.15 C ATOM 0 H MET A 36 10.279 -2.855 -4.445 1.00 0.58 H new ATOM 0 HA MET A 36 11.822 -3.398 -6.913 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.921 -4.884 -7.565 1.00 0.81 H new ATOM 0 HB3 MET A 36 10.839 -5.489 -6.201 1.00 0.81 H new ATOM 0 HG2 MET A 36 9.126 -4.740 -4.640 1.00 1.07 H new ATOM 0 HG3 MET A 36 8.245 -3.938 -5.925 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.668 -6.749 -7.975 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.119 -5.033 -7.846 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.324 -6.233 -8.369 1.00 1.15 H new ATOM 564 N ASN A 37 9.652 -2.471 -8.298 1.00 1.03 N ATOM 565 CA ASN A 37 8.828 -1.517 -9.031 1.00 1.17 C ATOM 566 C ASN A 37 7.361 -1.713 -8.683 1.00 0.99 C ATOM 567 O ASN A 37 6.861 -2.839 -8.687 1.00 1.03 O ATOM 568 CB ASN A 37 9.022 -1.678 -10.544 1.00 1.55 C ATOM 569 CG ASN A 37 10.418 -1.316 -11.013 1.00 2.18 C ATOM 570 OD1 ASN A 37 10.693 -0.167 -11.360 1.00 2.78 O ATOM 571 ND2 ASN A 37 11.306 -2.297 -11.043 1.00 2.51 N ATOM 0 H ASN A 37 9.909 -3.301 -8.832 1.00 1.03 H new ATOM 0 HA ASN A 37 9.137 -0.512 -8.743 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.809 -2.710 -10.823 1.00 1.55 H new ATOM 0 HB3 ASN A 37 8.298 -1.052 -11.065 1.00 1.55 H new ATOM 0 HD21 ASN A 37 12.257 -2.114 -11.362 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.039 -3.236 -10.747 1.00 2.51 H new ATOM 578 N MET A 38 6.681 -0.619 -8.381 1.00 1.01 N ATOM 579 CA MET A 38 5.274 -0.667 -8.017 1.00 0.99 C ATOM 580 C MET A 38 4.402 -0.343 -9.223 1.00 0.86 C ATOM 581 O MET A 38 4.564 0.705 -9.853 1.00 0.81 O ATOM 582 CB MET A 38 4.983 0.312 -6.875 1.00 1.23 C ATOM 583 CG MET A 38 3.536 0.292 -6.409 1.00 0.95 C ATOM 584 SD MET A 38 3.229 1.402 -5.019 1.00 1.15 S ATOM 585 CE MET A 38 1.488 1.097 -4.720 1.00 1.32 C ATOM 0 H MET A 38 7.083 0.318 -8.381 1.00 1.01 H new ATOM 0 HA MET A 38 5.040 -1.676 -7.678 1.00 0.99 H new ATOM 0 HB2 MET A 38 5.631 0.075 -6.031 1.00 1.23 H new ATOM 0 HB3 MET A 38 5.238 1.321 -7.199 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.888 0.571 -7.240 1.00 0.95 H new ATOM 0 HG3 MET A 38 3.266 -0.724 -6.122 1.00 0.95 H new ATOM 0 HE1 MET A 38 1.052 1.953 -4.204 1.00 1.32 H new ATOM 0 HE2 MET A 38 0.976 0.947 -5.671 1.00 1.32 H new ATOM 0 HE3 MET A 38 1.376 0.205 -4.103 1.00 1.32 H new ATOM 595 N PRO A 39 3.484 -1.256 -9.572 1.00 0.92 N ATOM 596 CA PRO A 39 2.554 -1.060 -10.684 1.00 0.91 C ATOM 597 C PRO A 39 1.581 0.084 -10.412 1.00 0.76 C ATOM 598 O PRO A 39 1.273 0.383 -9.256 1.00 0.83 O ATOM 599 CB PRO A 39 1.798 -2.392 -10.776 1.00 1.16 C ATOM 600 CG PRO A 39 2.593 -3.363 -9.969 1.00 1.24 C ATOM 601 CD PRO A 39 3.288 -2.555 -8.915 1.00 1.13 C ATOM 0 HA PRO A 39 3.073 -0.795 -11.605 1.00 0.91 H new ATOM 0 HB2 PRO A 39 0.785 -2.295 -10.386 1.00 1.16 H new ATOM 0 HB3 PRO A 39 1.711 -2.722 -11.811 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.947 -4.117 -9.519 1.00 1.24 H new ATOM 0 HG3 PRO A 39 3.313 -3.891 -10.593 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.684 -2.464 -8.012 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.236 -3.006 -8.620 1.00 1.13 H new ATOM 609 N GLU A 40 1.105 0.726 -11.472 1.00 0.77 N ATOM 610 CA GLU A 40 0.173 1.831 -11.323 1.00 0.69 C ATOM 611 C GLU A 40 -1.256 1.325 -11.175 1.00 0.73 C ATOM 612 O GLU A 40 -1.695 1.022 -10.069 1.00 1.09 O ATOM 613 CB GLU A 40 0.269 2.805 -12.502 1.00 0.76 C ATOM 614 CG GLU A 40 -0.613 4.035 -12.333 1.00 0.72 C ATOM 615 CD GLU A 40 -0.708 4.880 -13.583 1.00 0.94 C ATOM 616 OE1 GLU A 40 -1.567 4.584 -14.441 1.00 1.15 O ATOM 617 OE2 GLU A 40 0.089 5.830 -13.721 1.00 1.09 O ATOM 0 H GLU A 40 1.348 0.501 -12.437 1.00 0.77 H new ATOM 0 HA GLU A 40 0.448 2.367 -10.414 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.305 3.122 -12.621 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -0.013 2.286 -13.418 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.614 3.718 -12.040 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.221 4.645 -11.519 1.00 0.72 H new ATOM 624 N GLY A 41 -1.959 1.181 -12.297 1.00 0.64 N ATOM 625 CA GLY A 41 -3.383 0.902 -12.261 1.00 0.66 C ATOM 626 C GLY A 41 -3.716 -0.559 -12.025 1.00 0.62 C ATOM 627 O GLY A 41 -4.631 -1.104 -12.642 1.00 0.68 O ATOM 0 H GLY A 41 -1.564 1.253 -13.234 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -3.841 1.501 -11.474 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.830 1.219 -13.203 1.00 0.66 H new ATOM 631 N LYS A 42 -2.977 -1.194 -11.135 1.00 0.59 N ATOM 632 CA LYS A 42 -3.241 -2.572 -10.768 1.00 0.59 C ATOM 633 C LYS A 42 -3.790 -2.658 -9.360 1.00 0.52 C ATOM 634 O LYS A 42 -3.129 -2.255 -8.403 1.00 0.54 O ATOM 635 CB LYS A 42 -1.963 -3.394 -10.871 1.00 0.67 C ATOM 636 CG LYS A 42 -1.524 -3.627 -12.302 1.00 0.85 C ATOM 637 CD LYS A 42 -2.400 -4.667 -12.981 1.00 1.45 C ATOM 638 CE LYS A 42 -2.178 -4.683 -14.482 1.00 1.85 C ATOM 639 NZ LYS A 42 -2.800 -5.869 -15.124 1.00 2.30 N ATOM 0 H LYS A 42 -2.184 -0.774 -10.650 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.985 -2.972 -11.457 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.165 -2.885 -10.330 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.116 -4.356 -10.382 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.570 -2.690 -12.857 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.485 -3.956 -12.318 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -2.183 -5.653 -12.569 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -3.448 -4.457 -12.769 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -2.593 -3.775 -14.919 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -1.108 -4.677 -14.690 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -2.625 -5.841 -16.149 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.387 -6.736 -14.726 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -3.825 -5.862 -14.948 1.00 2.30 H new ATOM 653 N VAL A 43 -4.993 -3.189 -9.237 1.00 0.48 N ATOM 654 CA VAL A 43 -5.594 -3.359 -7.927 1.00 0.45 C ATOM 655 C VAL A 43 -5.045 -4.628 -7.279 1.00 0.39 C ATOM 656 O VAL A 43 -5.204 -5.738 -7.798 1.00 0.46 O ATOM 657 CB VAL A 43 -7.144 -3.365 -7.967 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.691 -4.472 -8.854 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.717 -3.473 -6.559 1.00 0.93 C ATOM 0 H VAL A 43 -5.567 -3.507 -10.018 1.00 0.48 H new ATOM 0 HA VAL A 43 -5.322 -2.495 -7.320 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.459 -2.417 -8.404 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.780 -4.436 -8.850 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.327 -4.336 -9.872 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.359 -5.439 -8.476 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.806 -3.476 -6.609 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.373 -4.398 -6.096 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -7.383 -2.623 -5.964 1.00 0.93 H new ATOM 669 N MET A 44 -4.374 -4.453 -6.157 1.00 0.35 N ATOM 670 CA MET A 44 -3.679 -5.546 -5.501 1.00 0.36 C ATOM 671 C MET A 44 -4.458 -6.041 -4.298 1.00 0.34 C ATOM 672 O MET A 44 -5.135 -5.267 -3.620 1.00 0.39 O ATOM 673 CB MET A 44 -2.279 -5.111 -5.074 1.00 0.46 C ATOM 674 CG MET A 44 -1.323 -4.909 -6.242 1.00 0.76 C ATOM 675 SD MET A 44 0.277 -4.249 -5.733 1.00 1.31 S ATOM 676 CE MET A 44 -0.202 -2.634 -5.121 1.00 1.20 C ATOM 0 H MET A 44 -4.295 -3.557 -5.677 1.00 0.35 H new ATOM 0 HA MET A 44 -3.592 -6.364 -6.216 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.352 -4.181 -4.510 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.864 -5.861 -4.400 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.172 -5.861 -6.751 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.777 -4.230 -6.964 1.00 0.76 H new ATOM 0 HE1 MET A 44 0.675 -1.989 -5.070 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.938 -2.193 -5.794 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.635 -2.736 -4.126 1.00 1.20 H new ATOM 686 N GLU A 45 -4.361 -7.336 -4.055 1.00 0.31 N ATOM 687 CA GLU A 45 -5.035 -7.968 -2.946 1.00 0.34 C ATOM 688 C GLU A 45 -4.062 -8.149 -1.782 1.00 0.30 C ATOM 689 O GLU A 45 -2.856 -8.272 -1.988 1.00 0.35 O ATOM 690 CB GLU A 45 -5.596 -9.312 -3.420 1.00 0.47 C ATOM 691 CG GLU A 45 -6.329 -10.101 -2.360 1.00 0.99 C ATOM 692 CD GLU A 45 -7.030 -11.314 -2.927 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.961 -11.134 -3.742 1.00 1.43 O ATOM 694 OE2 GLU A 45 -6.644 -12.450 -2.581 1.00 1.64 O ATOM 0 H GLU A 45 -3.810 -7.977 -4.626 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.857 -7.346 -2.594 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -6.274 -9.133 -4.254 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -4.775 -9.918 -3.802 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -5.622 -10.418 -1.593 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.061 -9.457 -1.872 1.00 0.99 H new ATOM 701 N THR A 46 -4.588 -8.154 -0.571 1.00 0.29 N ATOM 702 CA THR A 46 -3.748 -8.236 0.614 1.00 0.31 C ATOM 703 C THR A 46 -4.164 -9.379 1.536 1.00 0.39 C ATOM 704 O THR A 46 -5.252 -9.936 1.403 1.00 0.49 O ATOM 705 CB THR A 46 -3.767 -6.920 1.408 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.102 -6.623 1.822 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.223 -5.766 0.577 1.00 0.50 C ATOM 0 H THR A 46 -5.589 -8.103 -0.380 1.00 0.29 H new ATOM 0 HA THR A 46 -2.737 -8.428 0.255 1.00 0.31 H new ATOM 0 HB THR A 46 -3.128 -7.044 2.282 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.656 -6.440 1.034 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.249 -4.849 1.166 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.195 -5.981 0.286 1.00 0.50 H new ATOM 0 HG23 THR A 46 -3.835 -5.641 -0.316 1.00 0.50 H new ATOM 715 N ARG A 47 -3.277 -9.724 2.465 1.00 0.39 N ATOM 716 CA ARG A 47 -3.552 -10.745 3.481 1.00 0.51 C ATOM 717 C ARG A 47 -4.740 -10.372 4.353 1.00 0.72 C ATOM 718 O ARG A 47 -5.448 -11.238 4.865 1.00 0.92 O ATOM 719 CB ARG A 47 -2.322 -10.949 4.370 1.00 0.54 C ATOM 720 CG ARG A 47 -1.647 -9.660 4.834 1.00 0.95 C ATOM 721 CD ARG A 47 -2.239 -9.128 6.129 1.00 1.27 C ATOM 722 NE ARG A 47 -1.831 -9.925 7.282 1.00 2.09 N ATOM 723 CZ ARG A 47 -2.374 -9.824 8.494 1.00 2.77 C ATOM 724 NH1 ARG A 47 -3.387 -8.991 8.711 1.00 2.94 N ATOM 725 NH2 ARG A 47 -1.901 -10.559 9.490 1.00 3.73 N ATOM 0 H ARG A 47 -2.349 -9.307 2.538 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.791 -11.669 2.954 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.617 -11.525 5.247 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -1.593 -11.549 3.825 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -0.581 -9.841 4.973 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -1.743 -8.903 4.056 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -1.926 -8.094 6.273 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -3.327 -9.125 6.057 1.00 1.27 H new ATOM 0 HE ARG A 47 -1.081 -10.604 7.151 1.00 2.09 H new ATOM 0 HH11 ARG A 47 -3.754 -8.424 7.947 1.00 2.94 H new ATOM 0 HH12 ARG A 47 -3.798 -8.919 9.642 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -1.124 -11.199 9.327 1.00 3.73 H new ATOM 0 HH22 ARG A 47 -2.314 -10.485 10.420 1.00 3.73 H new ATOM 739 N ASP A 48 -4.952 -9.080 4.505 1.00 0.78 N ATOM 740 CA ASP A 48 -5.929 -8.575 5.458 1.00 1.06 C ATOM 741 C ASP A 48 -7.294 -8.417 4.803 1.00 1.04 C ATOM 742 O ASP A 48 -8.322 -8.362 5.475 1.00 1.45 O ATOM 743 CB ASP A 48 -5.437 -7.245 6.023 1.00 1.30 C ATOM 744 CG ASP A 48 -6.322 -6.724 7.135 1.00 1.83 C ATOM 745 OD1 ASP A 48 -6.086 -7.096 8.302 1.00 2.70 O ATOM 746 OD2 ASP A 48 -7.256 -5.946 6.848 1.00 1.79 O ATOM 0 H ASP A 48 -4.461 -8.356 3.981 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.039 -9.291 6.273 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -4.421 -7.367 6.399 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.394 -6.507 5.222 1.00 1.30 H new ATOM 751 N GLY A 49 -7.289 -8.365 3.485 1.00 0.68 N ATOM 752 CA GLY A 49 -8.528 -8.280 2.747 1.00 0.72 C ATOM 753 C GLY A 49 -8.775 -6.898 2.190 1.00 0.70 C ATOM 754 O GLY A 49 -9.893 -6.576 1.783 1.00 0.77 O ATOM 0 H GLY A 49 -6.447 -8.380 2.910 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.510 -9.000 1.929 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.356 -8.559 3.399 1.00 0.72 H new ATOM 758 N THR A 50 -7.735 -6.080 2.162 1.00 0.65 N ATOM 759 CA THR A 50 -7.820 -4.748 1.603 1.00 0.69 C ATOM 760 C THR A 50 -7.365 -4.766 0.143 1.00 0.55 C ATOM 761 O THR A 50 -6.443 -5.499 -0.219 1.00 0.52 O ATOM 762 CB THR A 50 -6.923 -3.775 2.405 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.294 -3.791 3.791 1.00 1.25 O ATOM 764 CG2 THR A 50 -7.019 -2.352 1.870 1.00 1.35 C ATOM 0 H THR A 50 -6.813 -6.323 2.526 1.00 0.65 H new ATOM 0 HA THR A 50 -8.856 -4.412 1.658 1.00 0.69 H new ATOM 0 HB THR A 50 -5.892 -4.112 2.295 1.00 0.83 H new ATOM 0 HG1 THR A 50 -6.720 -3.174 4.290 1.00 1.25 H new ATOM 0 HG21 THR A 50 -6.375 -1.698 2.458 1.00 1.35 H new ATOM 0 HG22 THR A 50 -6.700 -2.333 0.828 1.00 1.35 H new ATOM 0 HG23 THR A 50 -8.050 -2.006 1.941 1.00 1.35 H new ATOM 772 N LYS A 51 -8.021 -3.975 -0.684 1.00 0.53 N ATOM 773 CA LYS A 51 -7.633 -3.819 -2.075 1.00 0.52 C ATOM 774 C LYS A 51 -7.032 -2.431 -2.266 1.00 0.51 C ATOM 775 O LYS A 51 -7.583 -1.440 -1.784 1.00 0.56 O ATOM 776 CB LYS A 51 -8.837 -4.012 -3.004 1.00 0.59 C ATOM 777 CG LYS A 51 -9.413 -5.422 -2.991 1.00 0.67 C ATOM 778 CD LYS A 51 -8.598 -6.366 -3.862 1.00 1.19 C ATOM 779 CE LYS A 51 -9.127 -7.790 -3.788 1.00 1.26 C ATOM 780 NZ LYS A 51 -8.464 -8.686 -4.774 1.00 1.84 N ATOM 0 H LYS A 51 -8.835 -3.424 -0.413 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.894 -4.579 -2.329 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.619 -3.309 -2.718 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.540 -3.762 -4.023 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -9.435 -5.797 -1.968 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -10.444 -5.398 -3.344 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -8.622 -6.021 -4.896 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -7.556 -6.347 -3.544 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -8.973 -8.182 -2.782 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -10.202 -7.787 -3.968 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -9.151 -8.971 -5.501 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -7.673 -8.182 -5.224 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -8.104 -9.531 -4.287 1.00 1.84 H new ATOM 794 N ILE A 52 -5.885 -2.365 -2.928 1.00 0.47 N ATOM 795 CA ILE A 52 -5.179 -1.100 -3.107 1.00 0.46 C ATOM 796 C ILE A 52 -4.665 -0.935 -4.538 1.00 0.46 C ATOM 797 O ILE A 52 -4.471 -1.916 -5.251 1.00 0.52 O ATOM 798 CB ILE A 52 -3.982 -0.984 -2.135 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.093 -2.230 -2.244 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.471 -0.789 -0.706 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.851 -2.181 -1.379 1.00 0.51 C ATOM 0 H ILE A 52 -5.423 -3.170 -3.350 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.901 -0.312 -2.894 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.389 -0.112 -2.409 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.680 -3.107 -1.969 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.794 -2.360 -3.284 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.615 -0.709 -0.036 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.065 0.123 -0.646 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.084 -1.641 -0.412 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.277 -3.098 -1.514 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.240 -1.325 -1.667 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.140 -2.084 -0.332 1.00 0.51 H new ATOM 813 N ILE A 53 -4.448 0.317 -4.934 1.00 0.42 N ATOM 814 CA ILE A 53 -3.877 0.638 -6.252 1.00 0.41 C ATOM 815 C ILE A 53 -3.407 2.097 -6.282 1.00 0.42 C ATOM 816 O ILE A 53 -3.959 2.938 -5.582 1.00 0.44 O ATOM 817 CB ILE A 53 -4.865 0.320 -7.431 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.356 0.843 -8.785 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.255 0.860 -7.158 1.00 0.42 C ATOM 820 CD1 ILE A 53 -4.861 2.226 -9.161 1.00 0.98 C ATOM 0 H ILE A 53 -4.658 1.134 -4.361 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.013 -0.008 -6.405 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.917 -0.767 -7.492 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.266 0.862 -8.766 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -4.649 0.140 -9.564 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.910 0.620 -7.996 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.649 0.407 -6.248 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.207 1.942 -7.033 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.451 2.512 -10.130 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.949 2.213 -9.217 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -4.545 2.946 -8.406 1.00 0.98 H new ATOM 832 N MET A 54 -2.388 2.393 -7.088 1.00 0.44 N ATOM 833 CA MET A 54 -1.773 3.723 -7.107 1.00 0.47 C ATOM 834 C MET A 54 -2.078 4.417 -8.424 1.00 0.48 C ATOM 835 O MET A 54 -1.900 3.841 -9.494 1.00 0.54 O ATOM 836 CB MET A 54 -0.254 3.602 -6.897 1.00 0.52 C ATOM 837 CG MET A 54 0.479 4.935 -6.772 1.00 0.60 C ATOM 838 SD MET A 54 0.795 5.742 -8.358 1.00 1.08 S ATOM 839 CE MET A 54 1.890 4.555 -9.132 1.00 1.50 C ATOM 0 H MET A 54 -1.969 1.729 -7.739 1.00 0.44 H new ATOM 0 HA MET A 54 -2.188 4.322 -6.296 1.00 0.47 H new ATOM 0 HB2 MET A 54 -0.071 3.016 -5.997 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.172 3.045 -7.732 1.00 0.52 H new ATOM 0 HG2 MET A 54 -0.108 5.605 -6.144 1.00 0.60 H new ATOM 0 HG3 MET A 54 1.428 4.771 -6.262 1.00 0.60 H new ATOM 0 HE1 MET A 54 2.873 5.004 -9.272 1.00 1.50 H new ATOM 0 HE2 MET A 54 1.981 3.675 -8.496 1.00 1.50 H new ATOM 0 HE3 MET A 54 1.484 4.262 -10.100 1.00 1.50 H new ATOM 849 N LYS A 55 -2.554 5.644 -8.348 1.00 0.52 N ATOM 850 CA LYS A 55 -2.897 6.393 -9.545 1.00 0.58 C ATOM 851 C LYS A 55 -2.571 7.867 -9.356 1.00 0.66 C ATOM 852 O LYS A 55 -3.039 8.491 -8.406 1.00 0.70 O ATOM 853 CB LYS A 55 -4.381 6.209 -9.873 1.00 0.72 C ATOM 854 CG LYS A 55 -4.800 6.791 -11.214 1.00 0.95 C ATOM 855 CD LYS A 55 -3.962 6.234 -12.352 1.00 0.94 C ATOM 856 CE LYS A 55 -4.484 6.693 -13.701 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.540 6.370 -14.807 1.00 1.69 N ATOM 0 H LYS A 55 -2.712 6.144 -7.473 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.307 6.014 -10.379 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.614 5.144 -9.863 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.976 6.673 -9.086 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -5.852 6.570 -11.394 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.702 7.876 -11.187 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -2.927 6.553 -12.233 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -3.967 5.145 -12.310 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -5.446 6.220 -13.897 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -4.657 7.769 -13.675 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -4.076 6.049 -15.638 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -2.992 7.219 -15.055 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -2.892 5.616 -14.501 1.00 1.69 H new ATOM 871 N GLY A 56 -1.769 8.412 -10.264 1.00 0.77 N ATOM 872 CA GLY A 56 -1.387 9.811 -10.186 1.00 0.93 C ATOM 873 C GLY A 56 -0.600 10.136 -8.935 1.00 0.94 C ATOM 874 O GLY A 56 -0.826 11.179 -8.321 1.00 1.21 O ATOM 0 H GLY A 56 -1.374 7.907 -11.057 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -0.791 10.069 -11.062 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.284 10.430 -10.216 1.00 0.93 H new ATOM 878 N ASN A 57 0.299 9.224 -8.541 1.00 0.99 N ATOM 879 CA ASN A 57 1.116 9.391 -7.327 1.00 1.05 C ATOM 880 C ASN A 57 0.272 9.200 -6.059 1.00 0.97 C ATOM 881 O ASN A 57 0.799 9.071 -4.957 1.00 1.15 O ATOM 882 CB ASN A 57 1.828 10.761 -7.350 1.00 1.30 C ATOM 883 CG ASN A 57 1.967 11.417 -5.985 1.00 1.96 C ATOM 884 OD1 ASN A 57 2.947 11.201 -5.271 1.00 2.10 O ATOM 885 ND2 ASN A 57 0.997 12.246 -5.626 1.00 2.90 N ATOM 0 H ASN A 57 0.481 8.357 -9.047 1.00 0.99 H new ATOM 0 HA ASN A 57 1.883 8.617 -7.311 1.00 1.05 H new ATOM 0 HB2 ASN A 57 2.821 10.634 -7.782 1.00 1.30 H new ATOM 0 HB3 ASN A 57 1.277 11.433 -8.009 1.00 1.30 H new ATOM 0 HD21 ASN A 57 1.046 12.731 -4.730 1.00 2.90 H new ATOM 0 HD22 ASN A 57 0.201 12.399 -6.246 1.00 2.90 H new ATOM 892 N GLU A 58 -1.039 9.144 -6.234 1.00 0.86 N ATOM 893 CA GLU A 58 -1.955 8.957 -5.124 1.00 0.84 C ATOM 894 C GLU A 58 -2.195 7.478 -4.894 1.00 0.69 C ATOM 895 O GLU A 58 -1.862 6.648 -5.739 1.00 0.75 O ATOM 896 CB GLU A 58 -3.282 9.653 -5.408 1.00 0.88 C ATOM 897 CG GLU A 58 -3.152 11.150 -5.632 1.00 1.05 C ATOM 898 CD GLU A 58 -4.462 11.793 -6.037 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.844 11.670 -7.222 1.00 1.63 O ATOM 900 OE2 GLU A 58 -5.112 12.427 -5.183 1.00 1.66 O ATOM 0 H GLU A 58 -1.494 9.226 -7.143 1.00 0.86 H new ATOM 0 HA GLU A 58 -1.511 9.394 -4.230 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.738 9.201 -6.289 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.960 9.477 -4.573 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -2.788 11.620 -4.719 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -2.406 11.335 -6.405 1.00 1.05 H new ATOM 907 N ILE A 59 -2.804 7.147 -3.773 1.00 0.64 N ATOM 908 CA ILE A 59 -3.051 5.764 -3.447 1.00 0.56 C ATOM 909 C ILE A 59 -4.524 5.534 -3.139 1.00 0.55 C ATOM 910 O ILE A 59 -5.135 6.229 -2.325 1.00 0.63 O ATOM 911 CB ILE A 59 -2.134 5.276 -2.288 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.211 4.162 -2.784 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.919 4.802 -1.066 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.925 2.880 -3.155 1.00 0.92 C ATOM 0 H ILE A 59 -3.134 7.816 -3.078 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.800 5.164 -4.322 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.543 6.134 -1.969 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -0.661 4.522 -3.653 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.476 3.944 -2.009 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -2.225 4.474 -0.292 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -3.527 5.622 -0.684 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.566 3.971 -1.349 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -1.197 2.144 -3.496 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -2.453 2.492 -2.284 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -2.640 3.080 -3.953 1.00 0.92 H new ATOM 926 N PHE A 60 -5.093 4.584 -3.851 1.00 0.48 N ATOM 927 CA PHE A 60 -6.405 4.072 -3.546 1.00 0.48 C ATOM 928 C PHE A 60 -6.244 3.060 -2.437 1.00 0.48 C ATOM 929 O PHE A 60 -5.607 2.019 -2.600 1.00 0.45 O ATOM 930 CB PHE A 60 -7.016 3.464 -4.825 1.00 0.50 C ATOM 931 CG PHE A 60 -7.981 2.307 -4.650 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.507 1.033 -4.393 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.344 2.477 -4.808 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.353 -0.043 -4.298 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.208 1.396 -4.700 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.705 0.131 -4.447 1.00 0.54 C ATOM 0 H PHE A 60 -4.653 4.146 -4.660 1.00 0.48 H new ATOM 0 HA PHE A 60 -7.088 4.852 -3.209 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.535 4.258 -5.362 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.199 3.129 -5.463 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.445 0.882 -4.264 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.740 3.460 -5.017 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -7.954 -1.028 -4.106 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.272 1.542 -4.813 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.373 -0.714 -4.367 1.00 0.54 H new ATOM 946 N ARG A 61 -6.732 3.430 -1.284 1.00 0.60 N ATOM 947 CA ARG A 61 -6.772 2.536 -0.160 1.00 0.70 C ATOM 948 C ARG A 61 -8.205 2.511 0.315 1.00 0.69 C ATOM 949 O ARG A 61 -8.698 3.511 0.842 1.00 0.88 O ATOM 950 CB ARG A 61 -5.829 2.996 0.954 1.00 1.03 C ATOM 951 CG ARG A 61 -5.658 1.976 2.068 1.00 1.21 C ATOM 952 CD ARG A 61 -4.645 2.444 3.101 1.00 1.51 C ATOM 953 NE ARG A 61 -5.151 3.550 3.914 1.00 2.25 N ATOM 954 CZ ARG A 61 -4.673 4.794 3.880 1.00 2.70 C ATOM 955 NH1 ARG A 61 -3.700 5.124 3.040 1.00 2.72 N ATOM 956 NH2 ARG A 61 -5.167 5.714 4.695 1.00 3.56 N ATOM 0 H ARG A 61 -7.112 4.358 -1.098 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.437 1.539 -0.446 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -4.853 3.218 0.523 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -6.209 3.925 1.379 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -6.618 1.800 2.552 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -5.335 1.025 1.645 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -4.380 1.610 3.751 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -3.731 2.756 2.595 1.00 1.51 H new ATOM 0 HE ARG A 61 -5.923 3.356 4.551 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -3.310 4.422 2.411 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -3.343 6.079 3.023 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -5.912 5.470 5.347 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -4.802 6.666 4.670 1.00 3.56 H new ATOM 970 N LEU A 62 -8.850 1.368 0.139 1.00 0.78 N ATOM 971 CA LEU A 62 -10.315 1.257 0.263 1.00 1.07 C ATOM 972 C LEU A 62 -11.064 2.159 -0.732 1.00 1.19 C ATOM 973 O LEU A 62 -12.137 1.792 -1.210 1.00 1.40 O ATOM 974 CB LEU A 62 -10.766 1.640 1.674 1.00 1.26 C ATOM 975 CG LEU A 62 -10.854 0.505 2.682 1.00 1.08 C ATOM 976 CD1 LEU A 62 -11.879 -0.516 2.224 1.00 1.36 C ATOM 977 CD2 LEU A 62 -9.496 -0.148 2.892 1.00 1.32 C ATOM 0 H LEU A 62 -8.386 0.490 -0.093 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.557 0.217 0.045 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -10.077 2.390 2.062 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -11.746 2.113 1.604 1.00 1.26 H new ATOM 0 HG LEU A 62 -11.173 0.917 3.640 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -11.936 -1.326 2.951 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.855 -0.038 2.136 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -11.584 -0.919 1.255 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -9.589 -0.956 3.618 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -9.135 -0.550 1.945 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -8.789 0.594 3.264 1.00 1.32 H new