USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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: B 47 TYR OH : rot 180:sc= -1.81! USER MOD Set 1.2: B 54 GLN : amide:sc= -2.29! C(o=-4.1!,f=-6.2!) USER MOD Set 2.1: B 31 SER OG : rot 180:sc= 1.26 USER MOD Set 2.2: B 34 THR OG1 : rot 102:sc= 1.21 USER MOD Set 3.1: B 16 SER OG : rot 74:sc= 1.34 USER MOD Set 3.2: B 19 THR OG1 : rot -160:sc= 1.07 USER MOD Set 4.1: B 7 TYR OH : rot -82:sc= 0.985 USER MOD Set 4.2: B 17 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 31 SER OG : rot 20:sc= 0.505 USER MOD Set 5.2: A 34 THR OG1 : rot 180:sc= 0.553 USER MOD Set 6.1: A 28 SER OG : rot -83:sc= 0.0218 USER MOD Set 6.2: A 29 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.076) USER MOD Set 7.1: A 21 SER OG : rot 44:sc= 0.481 USER MOD Set 7.2: A 25 ASN : amide:sc= -0.376 X(o=0.1,f=-0.13) USER MOD Set 8.1: A 16 SER OG : rot -65:sc= 1.78 USER MOD Set 8.2: A 19 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 5 THR OG1 : rot -120:sc= -0.176 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.454! X(o=-0.45!,f=-0.16) USER MOD Single : A 26 GLN : amide:sc= 1.19 K(o=1.2,f=-0.034) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.0202 (180deg=-0.243) USER MOD Single : A 42 MET CE :methyl 147:sc= -1.89 (180deg=-3.66!) USER MOD Single : A 46 ASN : amide:sc= -0.0651 K(o=-0.065,f=-0.88) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.687 K(o=0.69,f=-8.3!) USER MOD Single : A 55 GLN : amide:sc= -0.704 K(o=-0.7,f=-0.17) USER MOD Single : B 5 THR OG1 : rot -92:sc= 0.0416! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 SER OG : rot 180:sc= -0.0155 USER MOD Single : B 25 ASN : amide:sc= 1.25 K(o=1.3,f=-0.049) USER MOD Single : B 29 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.1) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -154:sc= 0 (180deg=-0.955) USER MOD Single : B 46 ASN : amide:sc= -1.4! K(o=-1.4!,f=-0.076) USER MOD Single : B 50 ASN : amide:sc= -4.71! C(o=-4.7!,f=-11!) USER MOD Single : B 55 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.914 -9.932 12.396 1.00 0.87 N ATOM 43 CA PRO A 3 5.564 -9.759 11.098 1.00 0.67 C ATOM 44 C PRO A 3 6.573 -8.618 11.125 1.00 0.57 C ATOM 45 O PRO A 3 6.206 -7.445 11.216 1.00 0.62 O ATOM 46 CB PRO A 3 4.408 -9.444 10.149 1.00 0.89 C ATOM 47 CG PRO A 3 3.337 -8.886 11.017 1.00 1.30 C ATOM 48 CD PRO A 3 3.498 -9.531 12.367 1.00 1.15 C ATOM 0 HA PRO A 3 6.131 -10.640 10.798 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.709 -8.728 9.384 1.00 0.89 H new ATOM 0 HB3 PRO A 3 4.068 -10.340 9.630 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.425 -7.802 11.092 1.00 1.30 H new ATOM 0 HG3 PRO A 3 2.352 -9.098 10.601 1.00 1.30 H new ATOM 0 HD2 PRO A 3 3.262 -8.836 13.173 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.836 -10.390 12.482 1.00 1.15 H new ATOM 56 N VAL A 4 7.845 -8.973 11.059 1.00 0.48 N ATOM 57 CA VAL A 4 8.912 -7.995 11.071 1.00 0.41 C ATOM 58 C VAL A 4 9.094 -7.422 9.679 1.00 0.36 C ATOM 59 O VAL A 4 9.188 -8.161 8.698 1.00 0.37 O ATOM 60 CB VAL A 4 10.237 -8.606 11.567 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.313 -7.543 11.731 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.015 -9.342 12.873 1.00 0.54 C ATOM 0 H VAL A 4 8.162 -9.940 10.996 1.00 0.48 H new ATOM 0 HA VAL A 4 8.634 -7.200 11.763 1.00 0.41 H new ATOM 0 HB VAL A 4 10.584 -9.314 10.815 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.234 -8.009 12.082 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.494 -7.058 10.772 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.983 -6.800 12.457 1.00 0.39 H new ATOM 0 HG21 VAL A 4 10.958 -9.770 13.214 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.639 -8.646 13.623 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.288 -10.140 12.722 1.00 0.54 H new ATOM 72 N THR A 5 9.146 -6.108 9.600 1.00 0.33 N ATOM 73 CA THR A 5 9.277 -5.425 8.335 1.00 0.31 C ATOM 74 C THR A 5 10.704 -4.933 8.144 1.00 0.26 C ATOM 75 O THR A 5 11.510 -4.963 9.078 1.00 0.26 O ATOM 76 CB THR A 5 8.281 -4.242 8.271 1.00 0.36 C ATOM 77 OG1 THR A 5 8.908 -3.043 8.736 1.00 0.37 O ATOM 78 CG2 THR A 5 7.054 -4.526 9.131 1.00 0.41 C ATOM 0 H THR A 5 9.099 -5.488 10.409 1.00 0.33 H new ATOM 0 HA THR A 5 9.046 -6.122 7.530 1.00 0.31 H new ATOM 0 HB THR A 5 7.972 -4.117 7.233 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.418 -2.697 9.511 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.366 -3.683 9.073 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.557 -5.426 8.769 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.361 -4.673 10.166 1.00 0.41 H new ATOM 86 N LEU A 6 11.020 -4.486 6.935 1.00 0.24 N ATOM 87 CA LEU A 6 12.353 -3.984 6.634 1.00 0.20 C ATOM 88 C LEU A 6 12.631 -2.707 7.425 1.00 0.21 C ATOM 89 O LEU A 6 13.781 -2.304 7.583 1.00 0.20 O ATOM 90 CB LEU A 6 12.517 -3.754 5.124 1.00 0.21 C ATOM 91 CG LEU A 6 11.971 -2.435 4.558 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.270 -2.349 3.073 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.474 -2.309 4.791 1.00 0.29 C ATOM 0 H LEU A 6 10.371 -4.461 6.148 1.00 0.24 H new ATOM 0 HA LEU A 6 13.085 -4.733 6.936 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.579 -3.811 4.886 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.028 -4.576 4.601 1.00 0.21 H new ATOM 0 HG LEU A 6 12.464 -1.614 5.079 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.880 -1.411 2.677 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.348 -2.389 2.916 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.797 -3.185 2.558 1.00 0.29 H new ATOM 0 HD21 LEU A 6 10.120 -1.364 4.378 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.959 -3.135 4.301 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.269 -2.337 5.861 1.00 0.29 H new ATOM 105 N TYR A 7 11.566 -2.092 7.941 1.00 0.25 N ATOM 106 CA TYR A 7 11.698 -0.880 8.734 1.00 0.28 C ATOM 107 C TYR A 7 12.256 -1.228 10.100 1.00 0.28 C ATOM 108 O TYR A 7 13.047 -0.477 10.677 1.00 0.30 O ATOM 109 CB TYR A 7 10.348 -0.178 8.902 1.00 0.34 C ATOM 110 CG TYR A 7 9.820 0.468 7.644 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.389 1.632 7.144 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.737 -0.075 6.968 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.892 2.236 6.004 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.231 0.522 5.828 1.00 0.44 C ATOM 115 CZ TYR A 7 8.812 1.680 5.350 1.00 0.44 C ATOM 116 OH TYR A 7 8.313 2.287 4.213 1.00 0.49 O ATOM 0 H TYR A 7 10.606 -2.416 7.822 1.00 0.25 H new ATOM 0 HA TYR A 7 12.375 -0.203 8.213 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.617 -0.904 9.258 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.442 0.584 9.675 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.233 2.072 7.654 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.281 -0.981 7.339 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.348 3.140 5.627 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.387 0.085 5.315 1.00 0.44 H new ATOM 0 HH TYR A 7 7.553 1.770 3.873 1.00 0.49 H new ATOM 126 N ASP A 8 11.858 -2.393 10.596 1.00 0.28 N ATOM 127 CA ASP A 8 12.304 -2.855 11.898 1.00 0.29 C ATOM 128 C ASP A 8 13.784 -3.201 11.845 1.00 0.24 C ATOM 129 O ASP A 8 14.542 -2.893 12.765 1.00 0.25 O ATOM 130 CB ASP A 8 11.487 -4.070 12.338 1.00 0.35 C ATOM 131 CG ASP A 8 11.158 -4.049 13.817 1.00 0.93 C ATOM 132 OD1 ASP A 8 10.151 -3.409 14.197 1.00 1.51 O ATOM 133 OD2 ASP A 8 11.889 -4.680 14.607 1.00 1.75 O ATOM 0 H ASP A 8 11.227 -3.033 10.114 1.00 0.28 H new ATOM 0 HA ASP A 8 12.155 -2.058 12.627 1.00 0.29 H new ATOM 0 HB2 ASP A 8 10.561 -4.107 11.764 1.00 0.35 H new ATOM 0 HB3 ASP A 8 12.042 -4.979 12.106 1.00 0.35 H new ATOM 138 N VAL A 9 14.194 -3.814 10.740 1.00 0.21 N ATOM 139 CA VAL A 9 15.585 -4.203 10.545 1.00 0.19 C ATOM 140 C VAL A 9 16.453 -2.974 10.353 1.00 0.18 C ATOM 141 O VAL A 9 17.554 -2.881 10.897 1.00 0.20 O ATOM 142 CB VAL A 9 15.740 -5.120 9.320 1.00 0.19 C ATOM 143 CG1 VAL A 9 17.152 -5.672 9.235 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.731 -6.242 9.381 1.00 0.22 C ATOM 0 H VAL A 9 13.579 -4.053 9.962 1.00 0.21 H new ATOM 0 HA VAL A 9 15.902 -4.746 11.435 1.00 0.19 H new ATOM 0 HB VAL A 9 15.555 -4.532 8.421 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.238 -6.318 8.361 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.860 -4.848 9.149 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.373 -6.247 10.134 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.849 -6.885 8.509 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.891 -6.826 10.287 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.724 -5.825 9.391 1.00 0.22 H new ATOM 154 N ALA A 10 15.941 -2.034 9.574 1.00 0.19 N ATOM 155 CA ALA A 10 16.646 -0.791 9.304 1.00 0.22 C ATOM 156 C ALA A 10 16.932 -0.058 10.606 1.00 0.26 C ATOM 157 O ALA A 10 18.023 0.464 10.808 1.00 0.30 O ATOM 158 CB ALA A 10 15.845 0.089 8.359 1.00 0.26 C ATOM 0 H ALA A 10 15.033 -2.110 9.115 1.00 0.19 H new ATOM 0 HA ALA A 10 17.594 -1.028 8.821 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.392 1.013 8.171 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.688 -0.437 7.417 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.880 0.323 8.809 1.00 0.26 H new ATOM 164 N GLU A 11 15.952 -0.061 11.499 1.00 0.29 N ATOM 165 CA GLU A 11 16.088 0.588 12.791 1.00 0.35 C ATOM 166 C GLU A 11 17.062 -0.193 13.676 1.00 0.37 C ATOM 167 O GLU A 11 17.828 0.392 14.446 1.00 0.46 O ATOM 168 CB GLU A 11 14.717 0.697 13.475 1.00 0.37 C ATOM 169 CG GLU A 11 14.753 1.468 14.785 1.00 0.94 C ATOM 170 CD GLU A 11 13.436 1.418 15.534 1.00 1.51 C ATOM 171 OE1 GLU A 11 12.576 2.295 15.292 1.00 2.14 O ATOM 172 OE2 GLU A 11 13.262 0.508 16.373 1.00 2.21 O ATOM 0 H GLU A 11 15.049 -0.510 11.348 1.00 0.29 H new ATOM 0 HA GLU A 11 16.484 1.592 12.639 1.00 0.35 H new ATOM 0 HB2 GLU A 11 14.018 1.184 12.795 1.00 0.37 H new ATOM 0 HB3 GLU A 11 14.333 -0.306 13.663 1.00 0.37 H new ATOM 0 HG2 GLU A 11 15.541 1.062 15.419 1.00 0.94 H new ATOM 0 HG3 GLU A 11 15.011 2.507 14.582 1.00 0.94 H new ATOM 179 N TYR A 12 17.054 -1.518 13.533 1.00 0.32 N ATOM 180 CA TYR A 12 17.918 -2.379 14.330 1.00 0.38 C ATOM 181 C TYR A 12 19.383 -2.228 13.926 1.00 0.38 C ATOM 182 O TYR A 12 20.272 -2.204 14.775 1.00 0.45 O ATOM 183 CB TYR A 12 17.494 -3.841 14.179 1.00 0.39 C ATOM 184 CG TYR A 12 17.872 -4.707 15.359 1.00 0.47 C ATOM 185 CD1 TYR A 12 19.193 -5.064 15.587 1.00 1.10 C ATOM 186 CD2 TYR A 12 16.906 -5.164 16.243 1.00 1.38 C ATOM 187 CE1 TYR A 12 19.543 -5.849 16.666 1.00 1.07 C ATOM 188 CE2 TYR A 12 17.246 -5.953 17.325 1.00 1.49 C ATOM 189 CZ TYR A 12 18.568 -6.292 17.533 1.00 0.69 C ATOM 190 OH TYR A 12 18.918 -7.076 18.613 1.00 0.82 O ATOM 0 H TYR A 12 16.458 -2.016 12.872 1.00 0.32 H new ATOM 0 HA TYR A 12 17.816 -2.075 15.372 1.00 0.38 H new ATOM 0 HB2 TYR A 12 16.414 -3.884 14.039 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.949 -4.251 13.278 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.960 -4.722 14.908 1.00 1.10 H new ATOM 0 HD2 TYR A 12 15.871 -4.899 16.083 1.00 1.38 H new ATOM 0 HE1 TYR A 12 20.577 -6.115 16.830 1.00 1.07 H new ATOM 0 HE2 TYR A 12 16.482 -6.302 18.004 1.00 1.49 H new ATOM 0 HH TYR A 12 18.115 -7.303 19.126 1.00 0.82 H new ATOM 200 N ALA A 13 19.624 -2.119 12.628 1.00 0.33 N ATOM 201 CA ALA A 13 20.978 -1.990 12.112 1.00 0.36 C ATOM 202 C ALA A 13 21.415 -0.531 12.059 1.00 0.39 C ATOM 203 O ALA A 13 22.600 -0.232 11.903 1.00 0.46 O ATOM 204 CB ALA A 13 21.079 -2.614 10.728 1.00 0.33 C ATOM 0 H ALA A 13 18.898 -2.117 11.912 1.00 0.33 H new ATOM 0 HA ALA A 13 21.645 -2.519 12.793 1.00 0.36 H new ATOM 0 HB1 ALA A 13 22.098 -2.510 10.355 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.820 -3.671 10.786 1.00 0.33 H new ATOM 0 HB3 ALA A 13 20.391 -2.109 10.050 1.00 0.33 H new ATOM 210 N GLY A 14 20.450 0.373 12.174 1.00 0.38 N ATOM 211 CA GLY A 14 20.754 1.789 12.130 1.00 0.43 C ATOM 212 C GLY A 14 20.996 2.250 10.710 1.00 0.43 C ATOM 213 O GLY A 14 21.838 3.106 10.449 1.00 0.52 O ATOM 0 H GLY A 14 19.462 0.150 12.297 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.929 2.355 12.564 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.636 1.994 12.737 1.00 0.43 H new ATOM 217 N VAL A 15 20.234 1.672 9.796 1.00 0.35 N ATOM 218 CA VAL A 15 20.337 1.975 8.380 1.00 0.35 C ATOM 219 C VAL A 15 18.987 2.411 7.836 1.00 0.34 C ATOM 220 O VAL A 15 18.091 2.789 8.593 1.00 0.36 O ATOM 221 CB VAL A 15 20.831 0.744 7.579 1.00 0.33 C ATOM 222 CG1 VAL A 15 22.263 0.398 7.961 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.915 -0.456 7.800 1.00 0.28 C ATOM 0 H VAL A 15 19.523 0.975 10.018 1.00 0.35 H new ATOM 0 HA VAL A 15 21.060 2.783 8.267 1.00 0.35 H new ATOM 0 HB VAL A 15 20.806 0.999 6.519 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.593 -0.469 7.389 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.913 1.246 7.743 1.00 0.36 H new ATOM 0 HG13 VAL A 15 22.310 0.169 9.026 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.284 -1.306 7.227 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.900 -0.712 8.859 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.905 -0.208 7.472 1.00 0.28 H new ATOM 233 N SER A 16 18.846 2.369 6.528 1.00 0.35 N ATOM 234 CA SER A 16 17.602 2.737 5.892 1.00 0.35 C ATOM 235 C SER A 16 16.888 1.480 5.440 1.00 0.32 C ATOM 236 O SER A 16 17.523 0.437 5.257 1.00 0.32 O ATOM 237 CB SER A 16 17.861 3.653 4.694 1.00 0.40 C ATOM 238 OG SER A 16 18.355 2.925 3.577 1.00 1.26 O ATOM 0 H SER A 16 19.582 2.082 5.883 1.00 0.35 H new ATOM 0 HA SER A 16 16.980 3.278 6.605 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.938 4.162 4.418 1.00 0.40 H new ATOM 0 HB3 SER A 16 18.579 4.424 4.973 1.00 0.40 H new ATOM 0 HG SER A 16 19.238 2.558 3.790 1.00 1.26 H new ATOM 244 N TYR A 17 15.577 1.560 5.266 1.00 0.32 N ATOM 245 CA TYR A 17 14.826 0.399 4.818 1.00 0.30 C ATOM 246 C TYR A 17 15.247 0.037 3.401 1.00 0.31 C ATOM 247 O TYR A 17 15.173 -1.122 2.992 1.00 0.30 O ATOM 248 CB TYR A 17 13.316 0.627 4.922 1.00 0.33 C ATOM 249 CG TYR A 17 12.760 1.758 4.093 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.798 3.067 4.553 1.00 1.14 C ATOM 251 CD2 TYR A 17 12.155 1.509 2.871 1.00 1.27 C ATOM 252 CE1 TYR A 17 12.248 4.098 3.818 1.00 1.16 C ATOM 253 CE2 TYR A 17 11.610 2.532 2.125 1.00 1.32 C ATOM 254 CZ TYR A 17 11.657 3.826 2.603 1.00 0.54 C ATOM 255 OH TYR A 17 11.092 4.843 1.874 1.00 0.65 O ATOM 0 H TYR A 17 15.021 2.400 5.425 1.00 0.32 H new ATOM 0 HA TYR A 17 15.055 -0.441 5.474 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.809 -0.293 4.632 1.00 0.33 H new ATOM 0 HB3 TYR A 17 13.068 0.812 5.967 1.00 0.33 H new ATOM 0 HD1 TYR A 17 13.266 3.283 5.502 1.00 1.14 H new ATOM 0 HD2 TYR A 17 12.110 0.497 2.497 1.00 1.27 H new ATOM 0 HE1 TYR A 17 12.281 5.111 4.192 1.00 1.16 H new ATOM 0 HE2 TYR A 17 11.149 2.322 1.171 1.00 1.32 H new ATOM 0 HH TYR A 17 10.720 4.482 1.042 1.00 0.65 H new ATOM 265 N GLN A 18 15.707 1.045 2.666 1.00 0.35 N ATOM 266 CA GLN A 18 16.189 0.845 1.314 1.00 0.37 C ATOM 267 C GLN A 18 17.461 0.004 1.371 1.00 0.33 C ATOM 268 O GLN A 18 17.668 -0.889 0.549 1.00 0.34 O ATOM 269 CB GLN A 18 16.460 2.191 0.618 1.00 0.46 C ATOM 270 CG GLN A 18 17.287 2.065 -0.655 1.00 0.77 C ATOM 271 CD GLN A 18 16.532 1.392 -1.786 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.925 2.053 -2.618 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.566 0.069 -1.820 1.00 1.09 N ATOM 0 H GLN A 18 15.754 2.011 2.991 1.00 0.35 H new ATOM 0 HA GLN A 18 15.428 0.326 0.731 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.508 2.664 0.377 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.977 2.852 1.313 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.603 3.057 -0.976 1.00 0.77 H new ATOM 0 HG3 GLN A 18 18.191 1.496 -0.440 1.00 0.77 H new ATOM 0 HE21 GLN A 18 17.083 -0.446 -1.108 1.00 1.09 H new ATOM 0 HE22 GLN A 18 16.075 -0.435 -2.558 1.00 1.09 H new ATOM 282 N THR A 19 18.300 0.285 2.364 1.00 0.33 N ATOM 283 CA THR A 19 19.542 -0.456 2.545 1.00 0.34 C ATOM 284 C THR A 19 19.227 -1.915 2.825 1.00 0.29 C ATOM 285 O THR A 19 19.828 -2.818 2.243 1.00 0.31 O ATOM 286 CB THR A 19 20.388 0.126 3.698 1.00 0.39 C ATOM 287 OG1 THR A 19 20.633 1.512 3.456 1.00 0.49 O ATOM 288 CG2 THR A 19 21.716 -0.606 3.833 1.00 0.45 C ATOM 0 H THR A 19 18.142 1.019 3.054 1.00 0.33 H new ATOM 0 HA THR A 19 20.124 -0.370 1.627 1.00 0.34 H new ATOM 0 HB THR A 19 19.831 -0.000 4.627 1.00 0.39 H new ATOM 0 HG1 THR A 19 21.169 1.882 4.188 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.288 -0.173 4.653 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.531 -1.661 4.037 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.281 -0.509 2.906 1.00 0.45 H new ATOM 296 N VAL A 20 18.257 -2.124 3.704 1.00 0.25 N ATOM 297 CA VAL A 20 17.808 -3.462 4.060 1.00 0.21 C ATOM 298 C VAL A 20 17.371 -4.232 2.814 1.00 0.20 C ATOM 299 O VAL A 20 17.832 -5.347 2.579 1.00 0.24 O ATOM 300 CB VAL A 20 16.642 -3.401 5.066 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.075 -4.788 5.333 1.00 0.23 C ATOM 302 CG2 VAL A 20 17.098 -2.745 6.359 1.00 0.24 C ATOM 0 H VAL A 20 17.762 -1.375 4.188 1.00 0.25 H new ATOM 0 HA VAL A 20 18.646 -3.982 4.525 1.00 0.21 H new ATOM 0 HB VAL A 20 15.846 -2.797 4.631 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.254 -4.714 6.046 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.708 -5.217 4.400 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.856 -5.428 5.744 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.265 -2.708 7.061 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.913 -3.324 6.793 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.443 -1.732 6.151 1.00 0.24 H new ATOM 312 N SER A 21 16.506 -3.611 2.011 1.00 0.22 N ATOM 313 CA SER A 21 16.013 -4.229 0.783 1.00 0.25 C ATOM 314 C SER A 21 17.159 -4.508 -0.182 1.00 0.27 C ATOM 315 O SER A 21 17.183 -5.545 -0.840 1.00 0.32 O ATOM 316 CB SER A 21 14.957 -3.327 0.128 1.00 0.32 C ATOM 317 OG SER A 21 14.838 -3.564 -1.270 1.00 0.87 O ATOM 0 H SER A 21 16.133 -2.679 2.191 1.00 0.22 H new ATOM 0 HA SER A 21 15.550 -5.183 1.035 1.00 0.25 H new ATOM 0 HB2 SER A 21 13.992 -3.494 0.606 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.219 -2.283 0.296 1.00 0.32 H new ATOM 0 HG SER A 21 14.835 -4.529 -1.439 1.00 0.87 H new ATOM 323 N ARG A 22 18.124 -3.598 -0.231 1.00 0.30 N ATOM 324 CA ARG A 22 19.275 -3.758 -1.117 1.00 0.40 C ATOM 325 C ARG A 22 20.090 -4.991 -0.731 1.00 0.39 C ATOM 326 O ARG A 22 20.702 -5.635 -1.585 1.00 0.58 O ATOM 327 CB ARG A 22 20.160 -2.509 -1.097 1.00 0.51 C ATOM 328 CG ARG A 22 19.575 -1.335 -1.869 1.00 0.82 C ATOM 329 CD ARG A 22 20.618 -0.256 -2.133 1.00 0.75 C ATOM 330 NE ARG A 22 20.011 1.049 -2.426 1.00 0.73 N ATOM 331 CZ ARG A 22 19.610 1.436 -3.637 1.00 1.18 C ATOM 332 NH1 ARG A 22 19.698 0.608 -4.667 1.00 2.03 N ATOM 333 NH2 ARG A 22 19.115 2.657 -3.815 1.00 1.28 N ATOM 0 H ARG A 22 18.135 -2.745 0.328 1.00 0.30 H new ATOM 0 HA ARG A 22 18.898 -3.895 -2.131 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.324 -2.207 -0.063 1.00 0.51 H new ATOM 0 HB3 ARG A 22 21.135 -2.758 -1.515 1.00 0.51 H new ATOM 0 HG2 ARG A 22 19.170 -1.689 -2.817 1.00 0.82 H new ATOM 0 HG3 ARG A 22 18.744 -0.908 -1.307 1.00 0.82 H new ATOM 0 HD2 ARG A 22 21.270 -0.164 -1.264 1.00 0.75 H new ATOM 0 HD3 ARG A 22 21.246 -0.558 -2.971 1.00 0.75 H new ATOM 0 HE ARG A 22 19.888 1.702 -1.652 1.00 0.73 H new ATOM 0 HH11 ARG A 22 20.074 -0.331 -4.536 1.00 2.03 H new ATOM 0 HH12 ARG A 22 19.390 0.909 -5.591 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.042 3.298 -3.025 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.808 2.953 -4.742 1.00 1.28 H new ATOM 347 N VAL A 23 20.084 -5.319 0.558 1.00 0.29 N ATOM 348 CA VAL A 23 20.807 -6.482 1.058 1.00 0.33 C ATOM 349 C VAL A 23 19.976 -7.744 0.872 1.00 0.34 C ATOM 350 O VAL A 23 20.462 -8.754 0.364 1.00 0.43 O ATOM 351 CB VAL A 23 21.159 -6.328 2.554 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.910 -7.545 3.071 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.980 -5.073 2.778 1.00 0.33 C ATOM 0 H VAL A 23 19.585 -4.794 1.276 1.00 0.29 H new ATOM 0 HA VAL A 23 21.732 -6.560 0.486 1.00 0.33 H new ATOM 0 HB VAL A 23 20.225 -6.244 3.110 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.144 -7.407 4.127 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.290 -8.433 2.950 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.835 -7.668 2.508 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.220 -4.979 3.837 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.903 -5.134 2.201 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.408 -4.202 2.457 1.00 0.33 H new ATOM 363 N VAL A 24 18.712 -7.669 1.276 1.00 0.29 N ATOM 364 CA VAL A 24 17.796 -8.800 1.162 1.00 0.32 C ATOM 365 C VAL A 24 17.641 -9.247 -0.291 1.00 0.34 C ATOM 366 O VAL A 24 17.640 -10.445 -0.590 1.00 0.41 O ATOM 367 CB VAL A 24 16.407 -8.456 1.749 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.432 -9.612 1.591 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.528 -8.068 3.214 1.00 0.35 C ATOM 0 H VAL A 24 18.297 -6.833 1.687 1.00 0.29 H new ATOM 0 HA VAL A 24 18.229 -9.620 1.736 1.00 0.32 H new ATOM 0 HB VAL A 24 16.015 -7.607 1.189 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.467 -9.334 2.015 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.311 -9.844 0.533 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.819 -10.488 2.112 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.541 -7.829 3.610 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.953 -8.899 3.777 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.177 -7.197 3.307 1.00 0.35 H new ATOM 379 N ASN A 25 17.527 -8.282 -1.191 1.00 0.33 N ATOM 380 CA ASN A 25 17.373 -8.580 -2.611 1.00 0.42 C ATOM 381 C ASN A 25 18.724 -8.852 -3.264 1.00 0.76 C ATOM 382 O ASN A 25 18.780 -9.422 -4.353 1.00 0.94 O ATOM 383 CB ASN A 25 16.694 -7.422 -3.347 1.00 0.83 C ATOM 384 CG ASN A 25 15.309 -7.102 -2.826 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.872 -5.951 -2.869 1.00 1.72 O ATOM 386 ND2 ASN A 25 14.607 -8.108 -2.328 1.00 1.15 N ATOM 0 H ASN A 25 17.538 -7.287 -0.966 1.00 0.33 H new ATOM 0 HA ASN A 25 16.749 -9.471 -2.684 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.319 -6.533 -3.263 1.00 0.83 H new ATOM 0 HB3 ASN A 25 16.627 -7.666 -4.407 1.00 0.83 H new ATOM 0 HD21 ASN A 25 13.669 -7.944 -1.962 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.004 -9.047 -2.310 1.00 1.15 H new ATOM 393 N GLN A 26 19.804 -8.444 -2.585 1.00 1.08 N ATOM 394 CA GLN A 26 21.167 -8.619 -3.094 1.00 1.58 C ATOM 395 C GLN A 26 21.353 -7.829 -4.388 1.00 1.10 C ATOM 396 O GLN A 26 21.697 -8.388 -5.432 1.00 1.64 O ATOM 397 CB GLN A 26 21.474 -10.100 -3.328 1.00 2.64 C ATOM 398 CG GLN A 26 21.547 -10.933 -2.057 1.00 3.42 C ATOM 399 CD GLN A 26 22.856 -10.764 -1.310 1.00 4.28 C ATOM 400 OE1 GLN A 26 23.855 -11.410 -1.631 1.00 4.88 O ATOM 401 NE2 GLN A 26 22.858 -9.912 -0.298 1.00 4.73 N ATOM 0 H GLN A 26 19.757 -7.987 -1.674 1.00 1.08 H new ATOM 0 HA GLN A 26 21.863 -8.240 -2.346 1.00 1.58 H new ATOM 0 HB2 GLN A 26 20.707 -10.519 -3.980 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.423 -10.183 -3.858 1.00 2.64 H new ATOM 0 HG2 GLN A 26 20.722 -10.656 -1.400 1.00 3.42 H new ATOM 0 HG3 GLN A 26 21.413 -11.985 -2.311 1.00 3.42 H new ATOM 0 HE21 GLN A 26 22.010 -9.396 -0.064 1.00 4.73 H new ATOM 0 HE22 GLN A 26 23.708 -9.771 0.248 1.00 4.73 H new ATOM 410 N ALA A 27 21.122 -6.524 -4.309 1.00 0.83 N ATOM 411 CA ALA A 27 21.246 -5.652 -5.469 1.00 1.50 C ATOM 412 C ALA A 27 22.534 -4.832 -5.427 1.00 1.34 C ATOM 413 O ALA A 27 23.512 -5.229 -4.789 1.00 2.01 O ATOM 414 CB ALA A 27 20.035 -4.734 -5.562 1.00 2.27 C ATOM 0 H ALA A 27 20.847 -6.046 -3.451 1.00 0.83 H new ATOM 0 HA ALA A 27 21.289 -6.282 -6.357 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.136 -4.085 -6.432 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.130 -5.334 -5.660 1.00 2.27 H new ATOM 0 HB3 ALA A 27 19.970 -4.124 -4.661 1.00 2.27 H new ATOM 420 N SER A 28 22.530 -3.694 -6.116 1.00 1.04 N ATOM 421 CA SER A 28 23.689 -2.812 -6.164 1.00 0.84 C ATOM 422 C SER A 28 23.569 -1.705 -5.119 1.00 0.71 C ATOM 423 O SER A 28 22.568 -1.631 -4.403 1.00 0.73 O ATOM 424 CB SER A 28 23.816 -2.210 -7.563 1.00 0.91 C ATOM 425 OG SER A 28 22.543 -1.836 -8.071 1.00 1.52 O ATOM 0 H SER A 28 21.729 -3.360 -6.652 1.00 1.04 H new ATOM 0 HA SER A 28 24.584 -3.393 -5.940 1.00 0.84 H new ATOM 0 HB2 SER A 28 24.469 -1.338 -7.530 1.00 0.91 H new ATOM 0 HB3 SER A 28 24.282 -2.932 -8.233 1.00 0.91 H new ATOM 0 HG SER A 28 22.104 -2.620 -8.462 1.00 1.52 H new ATOM 431 N HIS A 29 24.574 -0.824 -5.061 1.00 0.61 N ATOM 432 CA HIS A 29 24.612 0.268 -4.096 1.00 0.53 C ATOM 433 C HIS A 29 24.685 -0.263 -2.666 1.00 0.59 C ATOM 434 O HIS A 29 24.186 0.378 -1.739 1.00 0.76 O ATOM 435 CB HIS A 29 23.408 1.209 -4.183 1.00 0.50 C ATOM 436 CG HIS A 29 22.923 1.605 -5.541 1.00 0.50 C ATOM 437 ND1 HIS A 29 22.038 2.640 -5.709 1.00 0.46 N ATOM 438 CD2 HIS A 29 23.175 1.129 -6.781 1.00 0.64 C ATOM 439 CE1 HIS A 29 21.766 2.784 -6.978 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.440 1.882 -7.661 1.00 0.63 N ATOM 0 H HIS A 29 25.381 -0.852 -5.684 1.00 0.61 H new ATOM 0 HA HIS A 29 25.509 0.833 -4.351 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.578 0.739 -3.656 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.656 2.120 -3.638 1.00 0.50 H new ATOM 0 HD2 HIS A 29 23.832 0.309 -7.032 1.00 0.64 H new ATOM 0 HE1 HIS A 29 21.098 3.521 -7.398 1.00 0.53 H new ATOM 0 HE2 HIS A 29 22.419 1.763 -8.674 1.00 0.63 H new ATOM 449 N VAL A 30 25.296 -1.425 -2.474 1.00 0.66 N ATOM 450 CA VAL A 30 25.398 -1.995 -1.141 1.00 0.76 C ATOM 451 C VAL A 30 26.839 -2.280 -0.775 1.00 0.72 C ATOM 452 O VAL A 30 27.502 -3.101 -1.408 1.00 0.78 O ATOM 453 CB VAL A 30 24.604 -3.302 -0.988 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.195 -3.493 0.458 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.393 -3.326 -1.903 1.00 1.16 C ATOM 0 H VAL A 30 25.722 -1.983 -3.214 1.00 0.66 H new ATOM 0 HA VAL A 30 24.974 -1.245 -0.473 1.00 0.76 H new ATOM 0 HB VAL A 30 25.248 -4.130 -1.283 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.633 -4.422 0.557 1.00 1.01 H new ATOM 0 HG12 VAL A 30 25.085 -3.539 1.085 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.572 -2.656 0.773 1.00 1.01 H new ATOM 0 HG21 VAL A 30 22.854 -4.264 -1.769 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.735 -2.492 -1.658 1.00 1.16 H new ATOM 0 HG23 VAL A 30 23.718 -3.239 -2.940 1.00 1.16 H new ATOM 465 N SER A 31 27.314 -1.601 0.253 1.00 0.71 N ATOM 466 CA SER A 31 28.671 -1.796 0.727 1.00 0.76 C ATOM 467 C SER A 31 28.709 -2.980 1.679 1.00 0.83 C ATOM 468 O SER A 31 27.725 -3.258 2.371 1.00 1.30 O ATOM 469 CB SER A 31 29.178 -0.537 1.429 1.00 0.75 C ATOM 470 OG SER A 31 28.232 -0.068 2.376 1.00 0.74 O ATOM 0 H SER A 31 26.779 -0.908 0.776 1.00 0.71 H new ATOM 0 HA SER A 31 29.320 -1.997 -0.125 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.123 -0.750 1.928 1.00 0.75 H new ATOM 0 HB3 SER A 31 29.376 0.241 0.691 1.00 0.75 H new ATOM 0 HG SER A 31 27.618 -0.794 2.612 1.00 0.74 H new ATOM 476 N ALA A 32 29.841 -3.668 1.714 1.00 0.86 N ATOM 477 CA ALA A 32 30.011 -4.834 2.574 1.00 0.86 C ATOM 478 C ALA A 32 29.844 -4.475 4.044 1.00 0.75 C ATOM 479 O ALA A 32 29.487 -5.324 4.859 1.00 0.69 O ATOM 480 CB ALA A 32 31.372 -5.465 2.340 1.00 1.06 C ATOM 0 H ALA A 32 30.662 -3.438 1.153 1.00 0.86 H new ATOM 0 HA ALA A 32 29.233 -5.553 2.316 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.486 -6.334 2.988 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.455 -5.775 1.298 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.153 -4.739 2.566 1.00 1.06 H new ATOM 486 N LYS A 33 30.117 -3.221 4.379 1.00 0.80 N ATOM 487 CA LYS A 33 29.992 -2.749 5.749 1.00 0.78 C ATOM 488 C LYS A 33 28.548 -2.860 6.246 1.00 0.67 C ATOM 489 O LYS A 33 28.273 -3.538 7.235 1.00 0.69 O ATOM 490 CB LYS A 33 30.464 -1.300 5.835 1.00 0.94 C ATOM 491 CG LYS A 33 30.508 -0.745 7.251 1.00 1.53 C ATOM 492 CD LYS A 33 30.869 0.733 7.263 1.00 1.99 C ATOM 493 CE LYS A 33 29.770 1.587 6.649 1.00 2.99 C ATOM 494 NZ LYS A 33 30.175 3.017 6.538 1.00 3.39 N ATOM 0 H LYS A 33 30.428 -2.510 3.716 1.00 0.80 H new ATOM 0 HA LYS A 33 30.615 -3.377 6.387 1.00 0.78 H new ATOM 0 HB2 LYS A 33 31.459 -1.226 5.396 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.803 -0.677 5.232 1.00 0.94 H new ATOM 0 HG2 LYS A 33 29.538 -0.887 7.728 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.237 -1.303 7.838 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.050 1.055 8.289 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.798 0.885 6.713 1.00 1.99 H new ATOM 0 HE2 LYS A 33 29.521 1.202 5.660 1.00 2.99 H new ATOM 0 HE3 LYS A 33 28.869 1.511 7.257 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 29.399 3.566 6.115 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 30.388 3.392 7.484 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 31.020 3.093 5.937 1.00 3.39 H new ATOM 508 N THR A 34 27.628 -2.221 5.531 1.00 0.61 N ATOM 509 CA THR A 34 26.221 -2.220 5.914 1.00 0.54 C ATOM 510 C THR A 34 25.543 -3.557 5.640 1.00 0.51 C ATOM 511 O THR A 34 24.606 -3.935 6.343 1.00 0.49 O ATOM 512 CB THR A 34 25.458 -1.112 5.176 1.00 0.53 C ATOM 513 OG1 THR A 34 26.152 -0.761 3.973 1.00 0.65 O ATOM 514 CG2 THR A 34 25.302 0.117 6.059 1.00 0.56 C ATOM 0 H THR A 34 27.833 -1.696 4.681 1.00 0.61 H new ATOM 0 HA THR A 34 26.195 -2.039 6.988 1.00 0.54 H new ATOM 0 HB THR A 34 24.465 -1.486 4.926 1.00 0.53 H new ATOM 0 HG1 THR A 34 25.659 -0.054 3.505 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.758 0.889 5.515 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.749 -0.150 6.960 1.00 0.56 H new ATOM 0 HG23 THR A 34 26.287 0.493 6.336 1.00 0.56 H new ATOM 522 N ARG A 35 26.024 -4.278 4.632 1.00 0.51 N ATOM 523 CA ARG A 35 25.444 -5.569 4.269 1.00 0.51 C ATOM 524 C ARG A 35 25.477 -6.537 5.450 1.00 0.52 C ATOM 525 O ARG A 35 24.512 -7.258 5.708 1.00 0.52 O ATOM 526 CB ARG A 35 26.199 -6.174 3.080 1.00 0.53 C ATOM 527 CG ARG A 35 25.515 -7.394 2.471 1.00 0.70 C ATOM 528 CD ARG A 35 26.388 -8.067 1.424 1.00 0.79 C ATOM 529 NE ARG A 35 26.645 -7.196 0.281 1.00 1.64 N ATOM 530 CZ ARG A 35 27.861 -6.883 -0.159 1.00 2.19 C ATOM 531 NH1 ARG A 35 28.937 -7.390 0.430 1.00 2.09 N ATOM 532 NH2 ARG A 35 27.998 -6.063 -1.191 1.00 3.31 N ATOM 0 H ARG A 35 26.813 -3.992 4.052 1.00 0.51 H new ATOM 0 HA ARG A 35 24.404 -5.404 3.988 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.315 -5.412 2.309 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.201 -6.455 3.403 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.277 -8.108 3.259 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.571 -7.093 2.018 1.00 0.70 H new ATOM 0 HD2 ARG A 35 27.335 -8.360 1.876 1.00 0.79 H new ATOM 0 HD3 ARG A 35 25.903 -8.981 1.081 1.00 0.79 H new ATOM 0 HE ARG A 35 25.842 -6.803 -0.211 1.00 1.64 H new ATOM 0 HH11 ARG A 35 28.834 -8.023 1.224 1.00 2.09 H new ATOM 0 HH12 ARG A 35 29.867 -7.147 0.089 1.00 2.09 H new ATOM 0 HH21 ARG A 35 27.172 -5.673 -1.646 1.00 3.31 H new ATOM 0 HH22 ARG A 35 28.929 -5.821 -1.530 1.00 3.31 H new ATOM 546 N GLU A 36 26.581 -6.517 6.180 1.00 0.56 N ATOM 547 CA GLU A 36 26.762 -7.394 7.328 1.00 0.58 C ATOM 548 C GLU A 36 25.931 -6.937 8.520 1.00 0.54 C ATOM 549 O GLU A 36 25.581 -7.739 9.384 1.00 0.61 O ATOM 550 CB GLU A 36 28.235 -7.458 7.715 1.00 0.67 C ATOM 551 CG GLU A 36 29.120 -7.935 6.578 1.00 0.70 C ATOM 552 CD GLU A 36 30.518 -8.298 7.029 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.097 -7.561 7.856 1.00 1.45 O ATOM 554 OE2 GLU A 36 31.047 -9.324 6.554 1.00 1.39 O ATOM 0 H GLU A 36 27.371 -5.898 5.997 1.00 0.56 H new ATOM 0 HA GLU A 36 26.419 -8.388 7.041 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.565 -6.470 8.037 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.354 -8.127 8.567 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.660 -8.803 6.106 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.180 -7.154 5.820 1.00 0.70 H new ATOM 561 N LYS A 37 25.597 -5.655 8.554 1.00 0.49 N ATOM 562 CA LYS A 37 24.810 -5.108 9.648 1.00 0.47 C ATOM 563 C LYS A 37 23.350 -5.475 9.476 1.00 0.39 C ATOM 564 O LYS A 37 22.659 -5.791 10.439 1.00 0.38 O ATOM 565 CB LYS A 37 24.934 -3.589 9.713 1.00 0.52 C ATOM 566 CG LYS A 37 26.355 -3.072 9.634 1.00 0.86 C ATOM 567 CD LYS A 37 26.378 -1.570 9.417 1.00 0.84 C ATOM 568 CE LYS A 37 25.862 -0.822 10.634 1.00 0.73 C ATOM 569 NZ LYS A 37 26.751 -0.993 11.817 1.00 0.98 N ATOM 0 H LYS A 37 25.858 -4.976 7.839 1.00 0.49 H new ATOM 0 HA LYS A 37 25.194 -5.533 10.575 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.357 -3.155 8.897 1.00 0.52 H new ATOM 0 HB3 LYS A 37 24.485 -3.240 10.643 1.00 0.52 H new ATOM 0 HG2 LYS A 37 26.887 -3.318 10.553 1.00 0.86 H new ATOM 0 HG3 LYS A 37 26.881 -3.569 8.819 1.00 0.86 H new ATOM 0 HD2 LYS A 37 27.396 -1.249 9.196 1.00 0.84 H new ATOM 0 HD3 LYS A 37 25.769 -1.318 8.549 1.00 0.84 H new ATOM 0 HE2 LYS A 37 25.775 0.238 10.397 1.00 0.73 H new ATOM 0 HE3 LYS A 37 24.861 -1.177 10.879 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 26.513 -0.280 12.536 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 26.619 -1.944 12.216 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 27.742 -0.874 11.526 1.00 0.98 H new ATOM 583 N VAL A 38 22.898 -5.443 8.234 1.00 0.36 N ATOM 584 CA VAL A 38 21.512 -5.751 7.927 1.00 0.31 C ATOM 585 C VAL A 38 21.232 -7.234 8.106 1.00 0.32 C ATOM 586 O VAL A 38 20.226 -7.616 8.707 1.00 0.31 O ATOM 587 CB VAL A 38 21.145 -5.325 6.496 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.682 -5.630 6.211 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.446 -3.847 6.295 1.00 0.30 C ATOM 0 H VAL A 38 23.470 -5.207 7.423 1.00 0.36 H new ATOM 0 HA VAL A 38 20.895 -5.186 8.626 1.00 0.31 H new ATOM 0 HB VAL A 38 21.751 -5.894 5.791 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.438 -5.323 5.194 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.506 -6.700 6.319 1.00 0.26 H new ATOM 0 HG13 VAL A 38 19.053 -5.086 6.916 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.182 -3.557 5.278 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.864 -3.258 7.003 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.508 -3.666 6.460 1.00 0.30 H new ATOM 599 N GLU A 39 22.138 -8.064 7.601 1.00 0.36 N ATOM 600 CA GLU A 39 21.991 -9.509 7.714 1.00 0.39 C ATOM 601 C GLU A 39 22.012 -9.922 9.175 1.00 0.41 C ATOM 602 O GLU A 39 21.319 -10.851 9.586 1.00 0.43 O ATOM 603 CB GLU A 39 23.110 -10.225 6.958 1.00 0.44 C ATOM 604 CG GLU A 39 22.892 -10.304 5.456 1.00 0.55 C ATOM 605 CD GLU A 39 23.996 -11.068 4.757 1.00 0.82 C ATOM 606 OE1 GLU A 39 23.919 -12.312 4.697 1.00 1.44 O ATOM 607 OE2 GLU A 39 24.951 -10.426 4.275 1.00 1.59 O ATOM 0 H GLU A 39 22.980 -7.761 7.111 1.00 0.36 H new ATOM 0 HA GLU A 39 21.035 -9.793 7.274 1.00 0.39 H new ATOM 0 HB2 GLU A 39 24.051 -9.711 7.151 1.00 0.44 H new ATOM 0 HB3 GLU A 39 23.212 -11.236 7.353 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.935 -10.786 5.254 1.00 0.55 H new ATOM 0 HG3 GLU A 39 22.834 -9.296 5.046 1.00 0.55 H new ATOM 614 N ALA A 40 22.799 -9.210 9.961 1.00 0.43 N ATOM 615 CA ALA A 40 22.912 -9.494 11.375 1.00 0.46 C ATOM 616 C ALA A 40 21.674 -9.029 12.122 1.00 0.41 C ATOM 617 O ALA A 40 21.150 -9.746 12.972 1.00 0.43 O ATOM 618 CB ALA A 40 24.157 -8.833 11.943 1.00 0.52 C ATOM 0 H ALA A 40 23.370 -8.428 9.640 1.00 0.43 H new ATOM 0 HA ALA A 40 22.997 -10.573 11.504 1.00 0.46 H new ATOM 0 HB1 ALA A 40 24.232 -9.053 13.008 1.00 0.52 H new ATOM 0 HB2 ALA A 40 25.039 -9.217 11.430 1.00 0.52 H new ATOM 0 HB3 ALA A 40 24.094 -7.754 11.799 1.00 0.52 H new ATOM 624 N ALA A 41 21.187 -7.845 11.767 1.00 0.37 N ATOM 625 CA ALA A 41 20.020 -7.269 12.422 1.00 0.34 C ATOM 626 C ALA A 41 18.760 -8.072 12.152 1.00 0.31 C ATOM 627 O ALA A 41 17.979 -8.325 13.066 1.00 0.34 O ATOM 628 CB ALA A 41 19.822 -5.823 11.985 1.00 0.31 C ATOM 0 H ALA A 41 21.584 -7.265 11.028 1.00 0.37 H new ATOM 0 HA ALA A 41 20.207 -7.298 13.496 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.946 -5.409 12.484 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.702 -5.238 12.252 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.676 -5.786 10.905 1.00 0.31 H new ATOM 634 N MET A 42 18.584 -8.496 10.905 1.00 0.28 N ATOM 635 CA MET A 42 17.400 -9.255 10.511 1.00 0.29 C ATOM 636 C MET A 42 17.373 -10.646 11.144 1.00 0.35 C ATOM 637 O MET A 42 16.360 -11.341 11.088 1.00 0.39 O ATOM 638 CB MET A 42 17.318 -9.365 8.985 1.00 0.27 C ATOM 639 CG MET A 42 18.345 -10.304 8.378 1.00 0.33 C ATOM 640 SD MET A 42 18.036 -10.649 6.636 1.00 0.35 S ATOM 641 CE MET A 42 18.649 -9.148 5.882 1.00 0.33 C ATOM 0 H MET A 42 19.247 -8.327 10.148 1.00 0.28 H new ATOM 0 HA MET A 42 16.530 -8.711 10.878 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.320 -9.706 8.709 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.447 -8.373 8.552 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.338 -9.867 8.486 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.347 -11.241 8.934 1.00 0.33 H new ATOM 0 HE1 MET A 42 19.075 -9.379 4.906 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.829 -8.440 5.762 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.417 -8.709 6.518 1.00 0.33 H new ATOM 651 N ALA A 43 18.477 -11.035 11.760 1.00 0.40 N ATOM 652 CA ALA A 43 18.568 -12.337 12.404 1.00 0.47 C ATOM 653 C ALA A 43 18.235 -12.216 13.883 1.00 0.48 C ATOM 654 O ALA A 43 17.936 -13.203 14.555 1.00 0.53 O ATOM 655 CB ALA A 43 19.958 -12.924 12.219 1.00 0.52 C ATOM 0 H ALA A 43 19.323 -10.469 11.828 1.00 0.40 H new ATOM 0 HA ALA A 43 17.846 -13.008 11.938 1.00 0.47 H new ATOM 0 HB1 ALA A 43 20.010 -13.898 12.706 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.166 -13.039 11.155 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.697 -12.257 12.663 1.00 0.52 H new ATOM 661 N GLU A 44 18.278 -10.987 14.378 1.00 0.46 N ATOM 662 CA GLU A 44 17.996 -10.707 15.776 1.00 0.46 C ATOM 663 C GLU A 44 16.493 -10.652 16.023 1.00 0.45 C ATOM 664 O GLU A 44 15.943 -11.438 16.797 1.00 0.48 O ATOM 665 CB GLU A 44 18.627 -9.376 16.168 1.00 0.45 C ATOM 666 CG GLU A 44 20.080 -9.244 15.752 1.00 0.51 C ATOM 667 CD GLU A 44 21.022 -10.010 16.655 1.00 0.63 C ATOM 668 OE1 GLU A 44 21.154 -11.242 16.485 1.00 1.21 O ATOM 669 OE2 GLU A 44 21.649 -9.382 17.533 1.00 1.36 O ATOM 0 H GLU A 44 18.508 -10.162 13.825 1.00 0.46 H new ATOM 0 HA GLU A 44 18.419 -11.508 16.383 1.00 0.46 H new ATOM 0 HB2 GLU A 44 18.054 -8.566 15.717 1.00 0.45 H new ATOM 0 HB3 GLU A 44 18.555 -9.254 17.249 1.00 0.45 H new ATOM 0 HG2 GLU A 44 20.194 -9.602 14.729 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.359 -8.190 15.754 1.00 0.51 H new ATOM 676 N LEU A 45 15.836 -9.728 15.332 1.00 0.42 N ATOM 677 CA LEU A 45 14.393 -9.530 15.472 1.00 0.44 C ATOM 678 C LEU A 45 13.581 -10.527 14.636 1.00 0.48 C ATOM 679 O LEU A 45 12.349 -10.486 14.638 1.00 0.52 O ATOM 680 CB LEU A 45 13.997 -8.062 15.156 1.00 0.49 C ATOM 681 CG LEU A 45 14.142 -7.533 13.705 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.692 -6.118 13.728 1.00 0.39 C ATOM 683 CD2 LEU A 45 15.023 -8.403 12.830 1.00 1.88 C ATOM 0 H LEU A 45 16.281 -9.099 14.664 1.00 0.42 H new ATOM 0 HA LEU A 45 14.144 -9.727 16.515 1.00 0.44 H new ATOM 0 HB2 LEU A 45 12.955 -7.933 15.449 1.00 0.49 H new ATOM 0 HB3 LEU A 45 14.592 -7.416 15.801 1.00 0.49 H new ATOM 0 HG LEU A 45 13.144 -7.553 13.267 1.00 0.82 H new ATOM 0 HD11 LEU A 45 14.792 -5.750 12.707 1.00 0.39 H new ATOM 0 HD12 LEU A 45 14.011 -5.472 14.281 1.00 0.39 H new ATOM 0 HD13 LEU A 45 15.668 -6.115 14.212 1.00 0.39 H new ATOM 0 HD21 LEU A 45 15.080 -7.974 11.830 1.00 1.88 H new ATOM 0 HD22 LEU A 45 16.023 -8.456 13.259 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.600 -9.406 12.771 1.00 1.88 H new ATOM 695 N ASN A 46 14.285 -11.419 13.927 1.00 0.49 N ATOM 696 CA ASN A 46 13.650 -12.448 13.093 1.00 0.54 C ATOM 697 C ASN A 46 12.841 -11.816 11.967 1.00 0.51 C ATOM 698 O ASN A 46 11.616 -11.903 11.939 1.00 0.60 O ATOM 699 CB ASN A 46 12.754 -13.366 13.934 1.00 0.62 C ATOM 700 CG ASN A 46 13.527 -14.457 14.656 1.00 1.22 C ATOM 701 OD1 ASN A 46 14.497 -15.008 14.129 1.00 2.01 O ATOM 702 ND2 ASN A 46 13.097 -14.778 15.869 1.00 1.90 N ATOM 0 H ASN A 46 15.305 -11.448 13.915 1.00 0.49 H new ATOM 0 HA ASN A 46 14.445 -13.050 12.654 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.215 -12.765 14.667 1.00 0.62 H new ATOM 0 HB3 ASN A 46 12.007 -13.826 13.287 1.00 0.62 H new ATOM 0 HD21 ASN A 46 13.573 -15.505 16.403 1.00 1.90 H new ATOM 0 HD22 ASN A 46 12.291 -14.297 16.268 1.00 1.90 H new ATOM 709 N TYR A 47 13.542 -11.181 11.044 1.00 0.42 N ATOM 710 CA TYR A 47 12.915 -10.517 9.912 1.00 0.39 C ATOM 711 C TYR A 47 12.438 -11.521 8.873 1.00 0.49 C ATOM 712 O TYR A 47 13.185 -12.411 8.455 1.00 0.58 O ATOM 713 CB TYR A 47 13.911 -9.546 9.287 1.00 0.27 C ATOM 714 CG TYR A 47 13.485 -8.969 7.958 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.206 -8.462 7.768 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.380 -8.914 6.902 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.831 -7.918 6.558 1.00 1.16 C ATOM 718 CE2 TYR A 47 14.011 -8.373 5.687 1.00 1.08 C ATOM 719 CZ TYR A 47 12.736 -7.876 5.521 1.00 0.23 C ATOM 720 OH TYR A 47 12.367 -7.325 4.319 1.00 0.24 O ATOM 0 H TYR A 47 14.559 -11.111 11.057 1.00 0.42 H new ATOM 0 HA TYR A 47 12.041 -9.973 10.269 1.00 0.39 H new ATOM 0 HB2 TYR A 47 14.084 -8.726 9.984 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.864 -10.059 9.156 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.495 -8.494 8.580 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.380 -9.300 7.031 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.833 -7.527 6.424 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.717 -8.339 4.871 1.00 1.08 H new ATOM 0 HH TYR A 47 13.120 -7.371 3.693 1.00 0.24 H new ATOM 730 N ILE A 48 11.193 -11.363 8.452 1.00 0.56 N ATOM 731 CA ILE A 48 10.602 -12.240 7.458 1.00 0.66 C ATOM 732 C ILE A 48 10.335 -11.473 6.166 1.00 0.52 C ATOM 733 O ILE A 48 9.436 -10.637 6.112 1.00 0.55 O ATOM 734 CB ILE A 48 9.276 -12.862 7.952 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.438 -13.458 9.355 1.00 1.16 C ATOM 736 CG2 ILE A 48 8.795 -13.931 6.979 1.00 0.98 C ATOM 737 CD1 ILE A 48 8.875 -12.581 10.447 1.00 1.01 C ATOM 0 H ILE A 48 10.569 -10.629 8.787 1.00 0.56 H new ATOM 0 HA ILE A 48 11.316 -13.044 7.278 1.00 0.66 H new ATOM 0 HB ILE A 48 8.530 -12.069 8.002 1.00 0.91 H new ATOM 0 HG12 ILE A 48 8.944 -14.429 9.388 1.00 1.16 H new ATOM 0 HG13 ILE A 48 10.497 -13.632 9.548 1.00 1.16 H new ATOM 0 HG21 ILE A 48 7.860 -14.359 7.342 1.00 0.98 H new ATOM 0 HG22 ILE A 48 8.633 -13.484 5.998 1.00 0.98 H new ATOM 0 HG23 ILE A 48 9.547 -14.716 6.900 1.00 0.98 H new ATOM 0 HD11 ILE A 48 9.023 -13.063 11.413 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.385 -11.618 10.440 1.00 1.01 H new ATOM 0 HD13 ILE A 48 7.809 -12.428 10.278 1.00 1.01 H new ATOM 749 N PRO A 49 11.143 -11.720 5.122 1.00 0.44 N ATOM 750 CA PRO A 49 10.977 -11.060 3.823 1.00 0.35 C ATOM 751 C PRO A 49 9.622 -11.385 3.210 1.00 0.39 C ATOM 752 O PRO A 49 9.307 -12.552 2.956 1.00 0.49 O ATOM 753 CB PRO A 49 12.106 -11.642 2.967 1.00 0.40 C ATOM 754 CG PRO A 49 13.086 -12.205 3.942 1.00 0.51 C ATOM 755 CD PRO A 49 12.282 -12.649 5.129 1.00 0.55 C ATOM 0 HA PRO A 49 11.018 -9.974 3.902 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.732 -12.414 2.294 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.566 -10.873 2.346 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.633 -13.041 3.506 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.824 -11.456 4.229 1.00 0.51 H new ATOM 0 HD2 PRO A 49 11.958 -13.685 5.033 1.00 0.55 H new ATOM 0 HD3 PRO A 49 12.855 -12.579 6.054 1.00 0.55 H new ATOM 763 N ASN A 50 8.827 -10.357 2.966 1.00 0.40 N ATOM 764 CA ASN A 50 7.499 -10.542 2.407 1.00 0.45 C ATOM 765 C ASN A 50 7.552 -10.762 0.904 1.00 0.49 C ATOM 766 O ASN A 50 7.819 -9.833 0.141 1.00 0.54 O ATOM 767 CB ASN A 50 6.605 -9.346 2.725 1.00 0.45 C ATOM 768 CG ASN A 50 6.050 -9.398 4.133 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.111 -10.145 4.416 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.611 -8.594 5.022 1.00 0.46 N ATOM 0 H ASN A 50 9.078 -9.385 3.146 1.00 0.40 H new ATOM 0 HA ASN A 50 7.076 -11.434 2.868 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.175 -8.426 2.596 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.780 -9.313 2.013 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.268 -8.577 5.982 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.386 -7.991 4.747 1.00 0.46 H new ATOM 777 N ARG A 51 7.283 -11.997 0.489 1.00 0.51 N ATOM 778 CA ARG A 51 7.287 -12.356 -0.923 1.00 0.57 C ATOM 779 C ARG A 51 6.060 -11.790 -1.628 1.00 0.56 C ATOM 780 O ARG A 51 6.063 -11.604 -2.844 1.00 0.59 O ATOM 781 CB ARG A 51 7.313 -13.878 -1.089 1.00 0.63 C ATOM 782 CG ARG A 51 8.688 -14.498 -0.904 1.00 1.42 C ATOM 783 CD ARG A 51 9.622 -14.123 -2.041 1.00 2.25 C ATOM 784 NE ARG A 51 10.728 -15.073 -2.183 1.00 3.08 N ATOM 785 CZ ARG A 51 11.769 -14.884 -2.994 1.00 4.17 C ATOM 786 NH1 ARG A 51 11.876 -13.757 -3.682 1.00 4.66 N ATOM 787 NH2 ARG A 51 12.708 -15.816 -3.113 1.00 5.04 N ATOM 0 H ARG A 51 7.058 -12.769 1.116 1.00 0.51 H new ATOM 0 HA ARG A 51 8.183 -11.930 -1.374 1.00 0.57 H new ATOM 0 HB2 ARG A 51 6.626 -14.323 -0.370 1.00 0.63 H new ATOM 0 HB3 ARG A 51 6.943 -14.131 -2.082 1.00 0.63 H new ATOM 0 HG2 ARG A 51 9.114 -14.167 0.043 1.00 1.42 H new ATOM 0 HG3 ARG A 51 8.595 -15.583 -0.850 1.00 1.42 H new ATOM 0 HD2 ARG A 51 9.059 -14.081 -2.973 1.00 2.25 H new ATOM 0 HD3 ARG A 51 10.023 -13.125 -1.866 1.00 2.25 H new ATOM 0 HE ARG A 51 10.700 -15.929 -1.629 1.00 3.08 H new ATOM 0 HH11 ARG A 51 11.162 -13.034 -3.591 1.00 4.66 H new ATOM 0 HH12 ARG A 51 12.672 -13.612 -4.303 1.00 4.66 H new ATOM 0 HH21 ARG A 51 12.636 -16.684 -2.582 1.00 5.04 H new ATOM 0 HH22 ARG A 51 13.501 -15.664 -3.736 1.00 5.04 H new ATOM 801 N CYS A 52 5.015 -11.511 -0.859 1.00 0.55 N ATOM 802 CA CYS A 52 3.788 -10.977 -1.416 1.00 0.55 C ATOM 803 C CYS A 52 3.948 -9.495 -1.706 1.00 0.52 C ATOM 804 O CYS A 52 3.507 -9.003 -2.744 1.00 0.57 O ATOM 805 CB CYS A 52 2.627 -11.211 -0.457 1.00 0.56 C ATOM 806 SG CYS A 52 1.428 -12.441 -1.058 1.00 0.83 S ATOM 0 H CYS A 52 4.997 -11.647 0.152 1.00 0.55 H new ATOM 0 HA CYS A 52 3.572 -11.493 -2.351 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.021 -11.539 0.505 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.111 -10.266 -0.285 1.00 0.56 H new ATOM 811 N ALA A 53 4.597 -8.794 -0.784 1.00 0.45 N ATOM 812 CA ALA A 53 4.848 -7.375 -0.942 1.00 0.43 C ATOM 813 C ALA A 53 5.853 -7.152 -2.063 1.00 0.43 C ATOM 814 O ALA A 53 5.806 -6.143 -2.758 1.00 0.44 O ATOM 815 CB ALA A 53 5.342 -6.781 0.353 1.00 0.41 C ATOM 0 H ALA A 53 4.959 -9.191 0.083 1.00 0.45 H new ATOM 0 HA ALA A 53 3.917 -6.874 -1.206 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.526 -5.715 0.218 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.590 -6.924 1.129 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.268 -7.274 0.650 1.00 0.41 H new ATOM 821 N GLN A 54 6.750 -8.120 -2.238 1.00 0.45 N ATOM 822 CA GLN A 54 7.766 -8.054 -3.285 1.00 0.48 C ATOM 823 C GLN A 54 7.121 -8.136 -4.661 1.00 0.51 C ATOM 824 O GLN A 54 7.510 -7.418 -5.583 1.00 0.55 O ATOM 825 CB GLN A 54 8.776 -9.186 -3.109 1.00 0.50 C ATOM 826 CG GLN A 54 9.858 -9.225 -4.183 1.00 0.74 C ATOM 827 CD GLN A 54 10.875 -10.325 -3.940 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.553 -11.368 -3.374 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.107 -10.100 -4.369 1.00 1.07 N ATOM 0 H GLN A 54 6.793 -8.963 -1.665 1.00 0.45 H new ATOM 0 HA GLN A 54 8.286 -7.100 -3.203 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.251 -9.087 -2.133 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.244 -10.137 -3.109 1.00 0.50 H new ATOM 0 HG2 GLN A 54 9.393 -9.372 -5.158 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.369 -8.263 -4.216 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.332 -9.221 -4.834 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.831 -10.806 -4.235 1.00 1.07 H new ATOM 838 N GLN A 55 6.128 -9.010 -4.792 1.00 0.52 N ATOM 839 CA GLN A 55 5.419 -9.172 -6.057 1.00 0.57 C ATOM 840 C GLN A 55 4.618 -7.913 -6.370 1.00 0.58 C ATOM 841 O GLN A 55 4.451 -7.545 -7.532 1.00 0.74 O ATOM 842 CB GLN A 55 4.494 -10.396 -6.011 1.00 0.62 C ATOM 843 CG GLN A 55 5.243 -11.717 -5.922 1.00 0.65 C ATOM 844 CD GLN A 55 6.160 -11.956 -7.107 1.00 1.22 C ATOM 845 OE1 GLN A 55 7.257 -12.498 -6.957 1.00 1.83 O ATOM 846 NE2 GLN A 55 5.706 -11.583 -8.299 1.00 2.01 N ATOM 0 H GLN A 55 5.797 -9.615 -4.041 1.00 0.52 H new ATOM 0 HA GLN A 55 6.153 -9.331 -6.847 1.00 0.57 H new ATOM 0 HB2 GLN A 55 3.828 -10.306 -5.153 1.00 0.62 H new ATOM 0 HB3 GLN A 55 3.867 -10.402 -6.903 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.831 -11.734 -5.004 1.00 0.65 H new ATOM 0 HG3 GLN A 55 4.524 -12.533 -5.855 1.00 0.65 H new ATOM 0 HE21 GLN A 55 4.792 -11.137 -8.380 1.00 2.01 H new ATOM 0 HE22 GLN A 55 6.271 -11.742 -9.133 1.00 2.01 H new ATOM 855 N LEU A 56 4.132 -7.255 -5.321 1.00 0.51 N ATOM 856 CA LEU A 56 3.367 -6.025 -5.473 1.00 0.50 C ATOM 857 C LEU A 56 4.288 -4.858 -5.808 1.00 0.47 C ATOM 858 O LEU A 56 4.056 -4.130 -6.774 1.00 0.48 O ATOM 859 CB LEU A 56 2.599 -5.717 -4.190 1.00 0.49 C ATOM 860 CG LEU A 56 1.406 -4.785 -4.377 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.265 -5.535 -5.042 1.00 0.51 C ATOM 862 CD2 LEU A 56 0.961 -4.204 -3.050 1.00 0.48 C ATOM 0 H LEU A 56 4.256 -7.556 -4.354 1.00 0.51 H new ATOM 0 HA LEU A 56 2.660 -6.164 -6.291 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.248 -6.654 -3.757 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.284 -5.270 -3.469 1.00 0.49 H new ATOM 0 HG LEU A 56 1.707 -3.958 -5.020 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.584 -4.864 -5.173 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.590 -5.903 -6.015 1.00 0.51 H new ATOM 0 HD13 LEU A 56 -0.031 -6.377 -4.416 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.109 -3.543 -3.210 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.672 -5.012 -2.378 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.781 -3.639 -2.607 1.00 0.48 H new ATOM 874 N ALA A 57 5.345 -4.701 -5.014 1.00 0.45 N ATOM 875 CA ALA A 57 6.310 -3.627 -5.212 1.00 0.44 C ATOM 876 C ALA A 57 7.002 -3.764 -6.563 1.00 0.46 C ATOM 877 O ALA A 57 7.368 -2.769 -7.192 1.00 0.49 O ATOM 878 CB ALA A 57 7.337 -3.628 -4.088 1.00 0.44 C ATOM 0 H ALA A 57 5.554 -5.310 -4.223 1.00 0.45 H new ATOM 0 HA ALA A 57 5.775 -2.678 -5.198 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.052 -2.821 -4.248 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.832 -3.481 -3.133 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.863 -4.582 -4.077 1.00 0.44 H new ATOM 884 N GLY A 58 7.170 -5.005 -7.006 1.00 0.53 N ATOM 885 CA GLY A 58 7.794 -5.262 -8.286 1.00 0.61 C ATOM 886 C GLY A 58 6.806 -5.138 -9.431 1.00 0.94 C ATOM 887 O GLY A 58 7.168 -5.362 -10.587 1.00 1.14 O ATOM 0 H GLY A 58 6.883 -5.841 -6.496 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.615 -4.561 -8.437 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.225 -6.263 -8.285 1.00 0.61 H new ATOM 1017 N VAL B 4 -8.608 -13.231 -6.825 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.585 -12.229 -7.211 1.00 0.66 C ATOM 1019 C VAL B 4 -9.549 -11.076 -6.222 1.00 0.59 C ATOM 1020 O VAL B 4 -9.502 -11.283 -5.012 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.012 -12.810 -7.277 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.014 -11.745 -7.713 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.045 -14.002 -8.220 1.00 0.73 C ATOM 0 HA VAL B 4 -9.324 -11.877 -8.209 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.297 -13.146 -6.280 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.013 -12.179 -7.752 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.004 -10.922 -6.999 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -11.742 -11.372 -8.700 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.057 -14.406 -8.260 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -10.741 -13.685 -9.218 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -10.362 -14.771 -7.859 1.00 0.73 H new ATOM 1033 N THR B 5 -9.583 -9.872 -6.745 1.00 0.50 N ATOM 1034 CA THR B 5 -9.502 -8.686 -5.926 1.00 0.45 C ATOM 1035 C THR B 5 -10.881 -8.206 -5.505 1.00 0.40 C ATOM 1036 O THR B 5 -11.897 -8.669 -6.024 1.00 0.39 O ATOM 1037 CB THR B 5 -8.781 -7.582 -6.709 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.661 -7.045 -7.702 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.546 -8.146 -7.390 1.00 0.48 C ATOM 0 H THR B 5 -9.667 -9.688 -7.745 1.00 0.50 H new ATOM 0 HA THR B 5 -8.945 -8.928 -5.021 1.00 0.45 H new ATOM 0 HB THR B 5 -8.482 -6.796 -6.016 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.538 -7.530 -8.545 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.042 -7.354 -7.943 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.869 -8.551 -6.638 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.840 -8.938 -8.078 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.921 -7.259 -4.574 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.184 -6.720 -4.117 1.00 0.36 C ATOM 1049 C LEU B 6 -12.652 -5.711 -5.155 1.00 0.32 C ATOM 1050 O LEU B 6 -13.784 -5.225 -5.136 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.977 -6.114 -2.727 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.918 -5.005 -2.293 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -13.283 -5.173 -0.830 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -12.246 -3.673 -2.515 1.00 0.50 C ATOM 0 H LEU B 6 -10.097 -6.855 -4.128 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.959 -7.480 -4.018 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -12.048 -6.919 -1.996 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.959 -5.728 -2.678 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.834 -5.051 -2.883 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.958 -4.372 -0.529 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.774 -6.135 -0.686 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -12.379 -5.133 -0.222 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.916 -2.871 -2.205 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -11.329 -3.626 -1.928 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -12.007 -3.558 -3.572 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.753 -5.458 -6.096 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.991 -4.544 -7.189 1.00 0.32 C ATOM 1068 C TYR B 7 -12.822 -5.235 -8.262 1.00 0.32 C ATOM 1069 O TYR B 7 -13.794 -4.679 -8.775 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.650 -4.101 -7.772 1.00 0.36 C ATOM 1071 CG TYR B 7 -10.036 -2.909 -7.077 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.354 -3.020 -5.858 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -10.141 -1.652 -7.651 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.806 -1.907 -5.263 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.591 -0.538 -7.055 1.00 1.27 C ATOM 1076 CZ TYR B 7 -8.923 -0.671 -5.862 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.357 0.434 -5.266 1.00 0.49 O ATOM 0 H TYR B 7 -10.829 -5.890 -6.116 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.535 -3.671 -6.828 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.951 -4.936 -7.722 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.786 -3.862 -8.827 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.258 -3.985 -5.383 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -10.667 -1.543 -8.588 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.282 -2.002 -4.323 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -9.684 0.431 -7.522 1.00 1.27 H new ATOM 0 HH TYR B 7 -8.956 0.772 -4.568 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.442 -6.473 -8.565 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.125 -7.276 -9.579 1.00 0.35 C ATOM 1089 C ASP B 8 -14.563 -7.556 -9.174 1.00 0.31 C ATOM 1090 O ASP B 8 -15.461 -7.560 -10.016 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.387 -8.595 -9.815 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.019 -8.391 -10.431 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -10.945 -7.921 -11.589 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -10.006 -8.700 -9.762 1.00 1.31 O ATOM 0 H ASP B 8 -11.657 -6.947 -8.119 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.129 -6.703 -10.506 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.280 -9.123 -8.867 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -12.985 -9.231 -10.468 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.774 -7.775 -7.879 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.106 -8.051 -7.351 1.00 0.25 C ATOM 1101 C VAL B 9 -17.017 -6.855 -7.589 1.00 0.25 C ATOM 1102 O VAL B 9 -18.172 -7.000 -7.993 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.048 -8.369 -5.840 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.426 -8.704 -5.293 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.080 -9.510 -5.578 1.00 0.28 C ATOM 0 H VAL B 9 -14.037 -7.766 -7.174 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.504 -8.922 -7.872 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.691 -7.479 -5.322 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.351 -8.923 -4.228 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -18.093 -7.855 -5.443 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.823 -9.574 -5.815 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.049 -9.723 -4.509 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.411 -10.398 -6.116 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.084 -9.228 -5.920 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.464 -5.671 -7.366 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.195 -4.430 -7.547 1.00 0.28 C ATOM 1117 C ALA B 10 -17.536 -4.201 -9.013 1.00 0.33 C ATOM 1118 O ALA B 10 -18.690 -3.934 -9.361 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.371 -3.272 -7.023 1.00 0.31 C ATOM 0 H ALA B 10 -15.500 -5.546 -7.056 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.129 -4.498 -6.989 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.922 -2.342 -7.160 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -16.168 -3.420 -5.962 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.429 -3.219 -7.569 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.523 -4.320 -9.868 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.688 -4.117 -11.306 1.00 0.44 C ATOM 1127 C GLU B 11 -17.741 -5.059 -11.881 1.00 0.47 C ATOM 1128 O GLU B 11 -18.492 -4.681 -12.780 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.360 -4.330 -12.030 1.00 0.51 C ATOM 1130 CG GLU B 11 -14.269 -3.362 -11.602 1.00 1.27 C ATOM 1131 CD GLU B 11 -12.999 -3.521 -12.412 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -12.810 -4.593 -13.031 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -12.187 -2.575 -12.441 1.00 2.34 O ATOM 0 H GLU B 11 -15.572 -4.558 -9.587 1.00 0.36 H new ATOM 0 HA GLU B 11 -17.022 -3.091 -11.458 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -15.019 -5.350 -11.852 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.521 -4.230 -13.103 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -14.635 -2.340 -11.703 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -14.044 -3.517 -10.547 1.00 1.27 H new ATOM 1140 N TYR B 12 -17.789 -6.282 -11.361 1.00 0.43 N ATOM 1141 CA TYR B 12 -18.750 -7.272 -11.822 1.00 0.49 C ATOM 1142 C TYR B 12 -20.172 -6.889 -11.422 1.00 0.49 C ATOM 1143 O TYR B 12 -21.073 -6.854 -12.263 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.415 -8.647 -11.252 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.311 -9.743 -11.777 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.119 -10.262 -13.046 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -20.352 -10.250 -11.009 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -19.939 -11.251 -13.543 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -21.175 -11.243 -11.498 1.00 1.18 C ATOM 1150 CZ TYR B 12 -20.964 -11.741 -12.766 1.00 0.81 C ATOM 1151 OH TYR B 12 -21.790 -12.723 -13.261 1.00 0.94 O ATOM 0 H TYR B 12 -17.171 -6.609 -10.618 1.00 0.43 H new ATOM 0 HA TYR B 12 -18.691 -7.307 -12.910 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.379 -8.889 -11.489 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.493 -8.612 -10.165 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -18.312 -9.885 -13.657 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -20.519 -9.861 -10.015 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -19.778 -11.640 -14.538 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -21.981 -11.628 -10.891 1.00 1.18 H new ATOM 0 HH TYR B 12 -22.460 -12.958 -12.586 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.359 -6.596 -10.137 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.669 -6.242 -9.612 1.00 0.48 C ATOM 1163 C ALA B 13 -22.178 -4.930 -10.201 1.00 0.52 C ATOM 1164 O ALA B 13 -23.384 -4.740 -10.363 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.621 -6.169 -8.091 1.00 0.43 C ATOM 0 H ALA B 13 -19.614 -6.598 -9.440 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.371 -7.022 -9.907 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.606 -5.903 -7.708 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.325 -7.138 -7.689 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.897 -5.413 -7.786 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.255 -4.037 -10.528 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.626 -2.755 -11.100 1.00 0.55 C ATOM 1173 C GLY B 14 -21.541 -1.634 -10.090 1.00 0.52 C ATOM 1174 O GLY B 14 -21.949 -0.506 -10.362 1.00 0.59 O ATOM 0 H GLY B 14 -20.252 -4.177 -10.408 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.972 -2.532 -11.943 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.642 -2.814 -11.491 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.992 -1.944 -8.928 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.847 -0.969 -7.865 1.00 0.46 C ATOM 1180 C VAL B 15 -19.394 -0.536 -7.739 1.00 0.43 C ATOM 1181 O VAL B 15 -18.511 -1.132 -8.353 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.307 -1.545 -6.512 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.797 -1.835 -6.532 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.522 -2.805 -6.161 1.00 0.36 C ATOM 0 H VAL B 15 -20.637 -2.872 -8.697 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.472 -0.113 -8.121 1.00 0.46 H new ATOM 0 HB VAL B 15 -21.111 -0.797 -5.743 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -23.102 -2.241 -5.567 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.345 -0.913 -6.727 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -23.016 -2.560 -7.316 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.865 -3.192 -5.202 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.678 -3.558 -6.933 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.460 -2.566 -6.097 1.00 0.36 H new ATOM 1194 N SER B 16 -19.144 0.498 -6.953 1.00 0.45 N ATOM 1195 CA SER B 16 -17.786 0.967 -6.736 1.00 0.46 C ATOM 1196 C SER B 16 -17.043 -0.030 -5.855 1.00 0.41 C ATOM 1197 O SER B 16 -17.659 -0.743 -5.063 1.00 0.39 O ATOM 1198 CB SER B 16 -17.813 2.345 -6.082 1.00 0.50 C ATOM 1199 OG SER B 16 -19.112 2.647 -5.604 1.00 0.64 O ATOM 0 H SER B 16 -19.861 1.027 -6.456 1.00 0.45 H new ATOM 0 HA SER B 16 -17.268 1.049 -7.692 1.00 0.46 H new ATOM 0 HB2 SER B 16 -17.100 2.376 -5.258 1.00 0.50 H new ATOM 0 HB3 SER B 16 -17.500 3.101 -6.802 1.00 0.50 H new ATOM 0 HG SER B 16 -19.291 2.127 -4.793 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.726 -0.089 -5.992 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.929 -1.020 -5.201 1.00 0.41 C ATOM 1207 C TYR B 17 -15.047 -0.695 -3.710 1.00 0.41 C ATOM 1208 O TYR B 17 -14.903 -1.570 -2.859 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.469 -1.024 -5.688 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.501 -0.272 -4.809 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.363 1.100 -4.909 1.00 1.31 C ATOM 1212 CD2 TYR B 17 -11.717 -0.948 -3.889 1.00 1.26 C ATOM 1213 CE1 TYR B 17 -11.465 1.780 -4.116 1.00 1.49 C ATOM 1214 CE2 TYR B 17 -10.819 -0.287 -3.085 1.00 1.43 C ATOM 1215 CZ TYR B 17 -10.696 1.087 -3.205 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.803 1.774 -2.429 1.00 1.42 O ATOM 0 H TYR B 17 -15.189 0.491 -6.637 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.316 -2.030 -5.338 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -13.133 -2.057 -5.772 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.435 -0.596 -6.690 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.967 1.646 -5.618 1.00 1.31 H new ATOM 0 HD2 TYR B 17 -11.813 -2.020 -3.801 1.00 1.26 H new ATOM 0 HE1 TYR B 17 -11.364 2.851 -4.207 1.00 1.49 H new ATOM 0 HE2 TYR B 17 -10.219 -0.831 -2.371 1.00 1.43 H new ATOM 0 HH TYR B 17 -9.336 1.149 -1.836 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.341 0.565 -3.401 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.511 0.989 -2.016 1.00 0.44 C ATOM 1228 C GLN B 18 -16.832 0.472 -1.460 1.00 0.38 C ATOM 1229 O GLN B 18 -17.004 0.347 -0.247 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.450 2.507 -1.912 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.035 3.049 -1.959 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.993 4.527 -2.256 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -14.089 5.356 -1.355 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.863 4.870 -3.529 1.00 0.87 N ATOM 0 H GLN B 18 -15.466 1.308 -4.089 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.697 0.569 -1.425 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -16.028 2.945 -2.726 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -15.922 2.821 -0.981 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -13.545 2.859 -1.004 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.469 2.512 -2.720 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.786 4.149 -4.246 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.840 5.855 -3.792 1.00 0.87 H new ATOM 1243 N THR B 19 -17.764 0.170 -2.355 1.00 0.39 N ATOM 1244 CA THR B 19 -19.055 -0.368 -1.959 1.00 0.38 C ATOM 1245 C THR B 19 -18.845 -1.762 -1.380 1.00 0.34 C ATOM 1246 O THR B 19 -19.587 -2.216 -0.505 1.00 0.36 O ATOM 1247 CB THR B 19 -20.028 -0.433 -3.157 1.00 0.41 C ATOM 1248 OG1 THR B 19 -20.035 0.822 -3.851 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.445 -0.769 -2.710 1.00 0.45 C ATOM 0 H THR B 19 -17.648 0.289 -3.361 1.00 0.39 H new ATOM 0 HA THR B 19 -19.499 0.289 -1.211 1.00 0.38 H new ATOM 0 HB THR B 19 -19.681 -1.224 -3.822 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.851 0.894 -4.389 1.00 0.54 H new ATOM 0 HG21 THR B 19 -22.102 -0.806 -3.579 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.449 -1.738 -2.211 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.800 -0.004 -2.020 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.800 -2.423 -1.869 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.441 -3.750 -1.401 1.00 0.33 C ATOM 1259 C VAL B 20 -16.719 -3.628 -0.062 1.00 0.36 C ATOM 1260 O VAL B 20 -16.965 -4.413 0.855 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.554 -4.498 -2.417 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.374 -5.950 -2.012 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -17.150 -4.416 -3.815 1.00 0.44 C ATOM 0 H VAL B 20 -17.185 -2.054 -2.595 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.356 -4.331 -1.283 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.576 -4.017 -2.425 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.745 -6.457 -2.744 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.901 -5.998 -1.031 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -17.347 -6.439 -1.970 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.508 -4.950 -4.516 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -18.142 -4.868 -3.815 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -17.227 -3.372 -4.117 1.00 0.44 H new ATOM 1273 N SER B 21 -15.836 -2.619 0.039 1.00 0.39 N ATOM 1274 CA SER B 21 -15.101 -2.334 1.265 1.00 0.45 C ATOM 1275 C SER B 21 -16.055 -2.243 2.456 1.00 0.45 C ATOM 1276 O SER B 21 -15.699 -2.579 3.584 1.00 0.52 O ATOM 1277 CB SER B 21 -14.355 -1.017 1.111 1.00 0.50 C ATOM 1278 OG SER B 21 -13.445 -1.083 0.028 1.00 1.29 O ATOM 0 H SER B 21 -15.618 -1.985 -0.730 1.00 0.39 H new ATOM 0 HA SER B 21 -14.393 -3.143 1.446 1.00 0.45 H new ATOM 0 HB2 SER B 21 -15.066 -0.207 0.947 1.00 0.50 H new ATOM 0 HB3 SER B 21 -13.818 -0.788 2.031 1.00 0.50 H new ATOM 0 HG SER B 21 -12.975 -0.227 -0.057 1.00 1.29 H new ATOM 1284 N ARG B 22 -17.279 -1.794 2.180 1.00 0.44 N ATOM 1285 CA ARG B 22 -18.305 -1.651 3.205 1.00 0.51 C ATOM 1286 C ARG B 22 -18.732 -3.015 3.741 1.00 0.54 C ATOM 1287 O ARG B 22 -18.506 -3.331 4.903 1.00 0.65 O ATOM 1288 CB ARG B 22 -19.529 -0.932 2.630 1.00 0.59 C ATOM 1289 CG ARG B 22 -19.236 0.446 2.066 1.00 0.72 C ATOM 1290 CD ARG B 22 -19.226 1.508 3.149 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.925 2.828 2.603 1.00 1.46 N ATOM 1292 CZ ARG B 22 -18.502 3.855 3.333 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -18.332 3.719 4.643 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -18.249 5.023 2.753 1.00 2.66 N ATOM 0 H ARG B 22 -17.583 -1.522 1.245 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.884 -1.065 4.022 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.962 -1.549 1.843 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -20.282 -0.839 3.413 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.271 0.434 1.560 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -19.986 0.699 1.316 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -20.196 1.531 3.646 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -18.486 1.249 3.907 1.00 1.03 H new ATOM 0 HE ARG B 22 -19.047 2.971 1.600 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -18.526 2.824 5.092 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -18.007 4.509 5.200 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -18.379 5.132 1.747 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -17.924 5.811 3.313 1.00 2.66 H new ATOM 1308 N VAL B 23 -19.320 -3.830 2.870 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.803 -5.159 3.246 1.00 0.58 C ATOM 1310 C VAL B 23 -18.681 -6.031 3.802 1.00 0.62 C ATOM 1311 O VAL B 23 -18.918 -6.917 4.627 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.451 -5.878 2.044 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -21.293 -7.054 2.513 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.287 -4.909 1.221 1.00 0.55 C ATOM 0 H VAL B 23 -19.475 -3.592 1.890 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.551 -5.009 4.024 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.654 -6.262 1.407 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.741 -7.547 1.651 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -20.662 -7.763 3.049 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -22.081 -6.696 3.176 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.734 -5.438 0.379 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -22.075 -4.488 1.845 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.651 -4.106 0.848 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.463 -5.781 3.346 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.307 -6.539 3.798 1.00 0.69 C ATOM 1326 C VAL B 24 -15.996 -6.266 5.279 1.00 0.76 C ATOM 1327 O VAL B 24 -15.486 -7.138 5.989 1.00 0.89 O ATOM 1328 CB VAL B 24 -15.076 -6.223 2.915 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.775 -6.621 3.593 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.206 -6.923 1.572 1.00 0.66 C ATOM 0 H VAL B 24 -17.250 -5.056 2.661 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.545 -7.598 3.702 1.00 0.69 H new ATOM 0 HB VAL B 24 -15.047 -5.144 2.760 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -12.936 -6.382 2.939 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.671 -6.075 4.531 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -13.783 -7.692 3.796 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.335 -6.695 0.957 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.268 -8.000 1.728 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -16.108 -6.577 1.067 1.00 0.66 H new ATOM 1340 N ASN B 25 -16.332 -5.069 5.746 1.00 0.72 N ATOM 1341 CA ASN B 25 -16.082 -4.694 7.134 1.00 0.79 C ATOM 1342 C ASN B 25 -17.386 -4.362 7.844 1.00 1.20 C ATOM 1343 O ASN B 25 -17.998 -5.212 8.487 1.00 1.68 O ATOM 1344 CB ASN B 25 -15.162 -3.479 7.197 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.817 -3.724 6.546 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.881 -4.195 7.188 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.715 -3.406 5.264 1.00 1.07 N ATOM 0 H ASN B 25 -16.777 -4.342 5.186 1.00 0.72 H new ATOM 0 HA ASN B 25 -15.607 -5.541 7.629 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -15.649 -2.635 6.708 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -15.010 -3.198 8.239 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.833 -3.550 4.771 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -14.518 -3.017 4.770 1.00 1.07 H new ATOM 1392 N HIS B 29 -24.417 2.089 5.268 1.00 0.98 N ATOM 1393 CA HIS B 29 -24.703 2.808 4.041 1.00 0.93 C ATOM 1394 C HIS B 29 -24.781 1.823 2.879 1.00 0.85 C ATOM 1395 O HIS B 29 -24.372 2.129 1.761 1.00 1.08 O ATOM 1396 CB HIS B 29 -23.670 3.891 3.708 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.898 4.497 4.847 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -21.669 5.081 4.653 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -23.177 4.649 6.168 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -21.224 5.563 5.790 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -22.117 5.317 6.728 1.00 1.31 N ATOM 0 HA HIS B 29 -25.656 3.314 4.196 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -22.953 3.465 3.006 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -24.186 4.697 3.187 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -24.065 4.309 6.680 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -20.284 6.075 5.933 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -22.034 5.580 7.710 1.00 1.31 H new ATOM 1410 N VAL B 30 -25.281 0.631 3.166 1.00 0.81 N ATOM 1411 CA VAL B 30 -25.424 -0.404 2.156 1.00 0.78 C ATOM 1412 C VAL B 30 -26.834 -0.967 2.192 1.00 0.81 C ATOM 1413 O VAL B 30 -27.292 -1.444 3.227 1.00 0.92 O ATOM 1414 CB VAL B 30 -24.414 -1.559 2.348 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -24.457 -2.508 1.163 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -23.001 -1.034 2.541 1.00 1.22 C ATOM 0 H VAL B 30 -25.596 0.356 4.096 1.00 0.81 H new ATOM 0 HA VAL B 30 -25.221 0.060 1.191 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.702 -2.101 3.249 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -23.740 -3.314 1.316 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -25.459 -2.927 1.069 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -24.204 -1.965 0.253 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -22.316 -1.872 2.673 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.704 -0.458 1.665 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -22.968 -0.395 3.424 1.00 1.22 H new ATOM 1426 N SER B 31 -27.520 -0.891 1.067 1.00 0.82 N ATOM 1427 CA SER B 31 -28.876 -1.392 0.970 1.00 0.88 C ATOM 1428 C SER B 31 -28.880 -2.911 0.823 1.00 0.94 C ATOM 1429 O SER B 31 -27.857 -3.504 0.468 1.00 1.42 O ATOM 1430 CB SER B 31 -29.577 -0.727 -0.211 1.00 0.90 C ATOM 1431 OG SER B 31 -28.627 -0.181 -1.108 1.00 0.83 O ATOM 0 H SER B 31 -27.157 -0.485 0.204 1.00 0.82 H new ATOM 0 HA SER B 31 -29.416 -1.149 1.885 1.00 0.88 H new ATOM 0 HB2 SER B 31 -30.199 -1.456 -0.730 1.00 0.90 H new ATOM 0 HB3 SER B 31 -30.241 0.059 0.148 1.00 0.90 H new ATOM 0 HG SER B 31 -29.092 0.240 -1.861 1.00 0.83 H new ATOM 1437 N ALA B 32 -30.030 -3.526 1.094 1.00 0.88 N ATOM 1438 CA ALA B 32 -30.176 -4.976 1.014 1.00 0.92 C ATOM 1439 C ALA B 32 -29.763 -5.510 -0.354 1.00 0.86 C ATOM 1440 O ALA B 32 -28.922 -6.410 -0.450 1.00 0.88 O ATOM 1441 CB ALA B 32 -31.610 -5.372 1.332 1.00 1.07 C ATOM 0 H ALA B 32 -30.880 -3.036 1.373 1.00 0.88 H new ATOM 0 HA ALA B 32 -29.509 -5.423 1.752 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -31.710 -6.456 1.270 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.864 -5.041 2.339 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -32.284 -4.904 0.615 1.00 1.07 H new ATOM 1447 N LYS B 33 -30.342 -4.939 -1.409 1.00 0.85 N ATOM 1448 CA LYS B 33 -30.035 -5.355 -2.776 1.00 0.87 C ATOM 1449 C LYS B 33 -28.549 -5.175 -3.089 1.00 0.79 C ATOM 1450 O LYS B 33 -27.944 -6.016 -3.748 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.884 -4.570 -3.780 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.636 -4.956 -5.230 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.060 -6.388 -5.510 1.00 1.82 C ATOM 1454 CE LYS B 33 -30.514 -6.876 -6.844 1.00 2.55 C ATOM 1455 NZ LYS B 33 -30.681 -8.341 -7.012 1.00 3.30 N ATOM 0 H LYS B 33 -31.027 -4.186 -1.343 1.00 0.85 H new ATOM 0 HA LYS B 33 -30.275 -6.415 -2.863 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.938 -4.724 -3.548 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -30.683 -3.506 -3.658 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -31.184 -4.279 -5.886 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -29.578 -4.838 -5.462 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -30.705 -7.038 -4.710 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -32.148 -6.453 -5.514 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -31.024 -6.358 -7.656 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -29.457 -6.621 -6.918 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -30.296 -8.631 -7.934 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -30.173 -8.838 -6.253 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -31.692 -8.583 -6.968 1.00 3.30 H new ATOM 1469 N THR B 34 -27.968 -4.082 -2.608 1.00 0.68 N ATOM 1470 CA THR B 34 -26.557 -3.805 -2.834 1.00 0.61 C ATOM 1471 C THR B 34 -25.666 -4.830 -2.142 1.00 0.57 C ATOM 1472 O THR B 34 -24.699 -5.319 -2.732 1.00 0.54 O ATOM 1473 CB THR B 34 -26.194 -2.395 -2.349 1.00 0.64 C ATOM 1474 OG1 THR B 34 -27.133 -1.458 -2.880 1.00 0.79 O ATOM 1475 CG2 THR B 34 -24.792 -2.012 -2.791 1.00 0.73 C ATOM 0 H THR B 34 -28.454 -3.373 -2.059 1.00 0.68 H new ATOM 0 HA THR B 34 -26.385 -3.870 -3.908 1.00 0.61 H new ATOM 0 HB THR B 34 -26.227 -2.383 -1.260 1.00 0.64 H new ATOM 0 HG1 THR B 34 -27.778 -1.212 -2.185 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.560 -1.009 -2.434 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.074 -2.720 -2.377 1.00 0.73 H new ATOM 0 HG23 THR B 34 -24.735 -2.033 -3.879 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.998 -5.163 -0.900 1.00 0.61 N ATOM 1484 CA ARG B 35 -25.218 -6.139 -0.147 1.00 0.61 C ATOM 1485 C ARG B 35 -25.254 -7.492 -0.846 1.00 0.60 C ATOM 1486 O ARG B 35 -24.211 -8.098 -1.094 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.748 -6.283 1.280 1.00 0.69 C ATOM 1488 CG ARG B 35 -25.008 -7.344 2.083 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.759 -7.726 3.343 1.00 1.00 C ATOM 1490 NE ARG B 35 -25.024 -8.706 4.137 1.00 1.71 N ATOM 1491 CZ ARG B 35 -24.623 -8.490 5.387 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -24.795 -7.299 5.946 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -24.020 -9.456 6.067 1.00 3.21 N ATOM 0 H ARG B 35 -26.795 -4.775 -0.396 1.00 0.61 H new ATOM 0 HA ARG B 35 -24.189 -5.783 -0.099 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.665 -5.324 1.791 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.808 -6.535 1.245 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.861 -8.230 1.465 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -24.018 -6.973 2.349 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -25.939 -6.834 3.943 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -26.734 -8.133 3.076 1.00 1.00 H new ATOM 0 HE ARG B 35 -24.806 -9.606 3.710 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -25.236 -6.546 5.417 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -24.487 -7.136 6.905 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -23.863 -10.365 5.632 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -23.713 -9.290 7.025 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.462 -7.939 -1.178 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.653 -9.218 -1.855 1.00 0.67 C ATOM 1509 C GLU B 36 -25.954 -9.228 -3.213 1.00 0.62 C ATOM 1510 O GLU B 36 -25.457 -10.262 -3.659 1.00 0.65 O ATOM 1511 CB GLU B 36 -28.143 -9.500 -2.030 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.878 -9.756 -0.725 1.00 0.84 C ATOM 1513 CD GLU B 36 -30.372 -9.913 -0.918 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -30.795 -10.352 -2.008 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -31.133 -9.598 0.022 1.00 2.09 O ATOM 0 H GLU B 36 -27.326 -7.432 -0.988 1.00 0.63 H new ATOM 0 HA GLU B 36 -26.210 -10.000 -1.238 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.606 -8.653 -2.536 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -28.265 -10.366 -2.680 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.479 -10.657 -0.259 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.689 -8.931 -0.038 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.924 -8.069 -3.857 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.281 -7.913 -5.156 1.00 0.56 C ATOM 1524 C LYS B 37 -23.781 -8.181 -5.050 1.00 0.48 C ATOM 1525 O LYS B 37 -23.209 -8.923 -5.850 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.524 -6.495 -5.682 1.00 0.58 C ATOM 1527 CG LYS B 37 -25.085 -6.274 -7.118 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.389 -4.853 -7.571 1.00 1.13 C ATOM 1529 CE LYS B 37 -26.886 -4.586 -7.595 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.198 -3.140 -7.771 1.00 1.66 N ATOM 0 H LYS B 37 -26.343 -7.212 -3.495 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.711 -8.636 -5.849 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.587 -6.268 -5.601 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.997 -5.788 -5.041 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -24.016 -6.467 -7.209 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -25.594 -6.984 -7.770 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -24.902 -4.144 -6.901 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -24.973 -4.690 -8.565 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.342 -5.155 -8.405 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.331 -4.941 -6.666 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.229 -3.006 -7.781 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -26.786 -2.598 -6.985 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -26.796 -2.805 -8.670 1.00 1.66 H new ATOM 1544 N VAL B 38 -23.153 -7.578 -4.048 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.722 -7.741 -3.831 1.00 0.37 C ATOM 1546 C VAL B 38 -21.387 -9.147 -3.339 1.00 0.39 C ATOM 1547 O VAL B 38 -20.468 -9.792 -3.851 1.00 0.37 O ATOM 1548 CB VAL B 38 -21.190 -6.709 -2.819 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.695 -6.865 -2.633 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.524 -5.304 -3.275 1.00 0.38 C ATOM 0 H VAL B 38 -23.614 -6.970 -3.371 1.00 0.43 H new ATOM 0 HA VAL B 38 -21.238 -7.580 -4.794 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.674 -6.887 -1.859 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.339 -6.127 -1.914 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.477 -7.867 -2.263 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -19.192 -6.714 -3.588 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -21.142 -4.586 -2.550 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -21.066 -5.118 -4.246 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.605 -5.196 -3.358 1.00 0.38 H new ATOM 1560 N GLU B 39 -22.137 -9.616 -2.348 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.918 -10.941 -1.780 1.00 0.50 C ATOM 1562 C GLU B 39 -22.067 -12.026 -2.844 1.00 0.53 C ATOM 1563 O GLU B 39 -21.312 -13.001 -2.854 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.880 -11.194 -0.618 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.565 -10.363 0.618 1.00 0.63 C ATOM 1566 CD GLU B 39 -22.950 -11.059 1.907 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -22.122 -11.837 2.435 1.00 1.76 O ATOM 1568 OE2 GLU B 39 -24.080 -10.837 2.398 1.00 1.79 O ATOM 0 H GLU B 39 -22.904 -9.097 -1.920 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.897 -10.979 -1.400 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.897 -10.976 -0.944 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.849 -12.251 -0.354 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.499 -10.138 0.637 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -23.091 -9.411 0.554 1.00 0.63 H new ATOM 1575 N ALA B 40 -23.036 -11.853 -3.739 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.253 -12.812 -4.815 1.00 0.61 C ATOM 1577 C ALA B 40 -22.087 -12.782 -5.790 1.00 0.53 C ATOM 1578 O ALA B 40 -21.628 -13.823 -6.259 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.557 -12.527 -5.544 1.00 0.70 C ATOM 0 H ALA B 40 -23.680 -11.062 -3.740 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.320 -13.807 -4.375 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.695 -13.257 -6.342 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.388 -12.595 -4.842 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.524 -11.525 -5.971 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.594 -11.577 -6.070 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.472 -11.393 -6.986 1.00 0.43 C ATOM 1587 C ALA B 41 -19.212 -12.048 -6.434 1.00 0.38 C ATOM 1588 O ALA B 41 -18.371 -12.530 -7.192 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.227 -9.915 -7.252 1.00 0.42 C ATOM 0 H ALA B 41 -21.957 -10.710 -5.673 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.726 -11.874 -7.930 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.387 -9.803 -7.937 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -21.119 -9.473 -7.696 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -20.000 -9.409 -6.314 1.00 0.42 H new ATOM 1595 N MET B 42 -19.094 -12.074 -5.107 1.00 0.38 N ATOM 1596 CA MET B 42 -17.945 -12.692 -4.446 1.00 0.40 C ATOM 1597 C MET B 42 -17.850 -14.167 -4.820 1.00 0.45 C ATOM 1598 O MET B 42 -16.767 -14.749 -4.825 1.00 0.52 O ATOM 1599 CB MET B 42 -18.056 -12.567 -2.922 1.00 0.44 C ATOM 1600 CG MET B 42 -17.852 -11.160 -2.390 1.00 0.41 C ATOM 1601 SD MET B 42 -17.789 -11.100 -0.590 1.00 0.51 S ATOM 1602 CE MET B 42 -17.767 -9.331 -0.330 1.00 0.46 C ATOM 0 H MET B 42 -19.781 -11.674 -4.468 1.00 0.38 H new ATOM 0 HA MET B 42 -17.048 -12.170 -4.780 1.00 0.40 H new ATOM 0 HB2 MET B 42 -19.039 -12.920 -2.612 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.320 -13.226 -2.461 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.926 -10.753 -2.796 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.662 -10.522 -2.743 1.00 0.41 H new ATOM 0 HE1 MET B 42 -17.282 -9.109 0.620 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.217 -8.851 -1.139 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.789 -8.953 -0.312 1.00 0.46 H new ATOM 1612 N ALA B 43 -18.996 -14.754 -5.146 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.061 -16.164 -5.519 1.00 0.53 C ATOM 1614 C ALA B 43 -18.973 -16.337 -7.029 1.00 0.55 C ATOM 1615 O ALA B 43 -18.661 -17.420 -7.524 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.341 -16.791 -4.989 1.00 0.61 C ATOM 0 H ALA B 43 -19.896 -14.274 -5.160 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.207 -16.672 -5.071 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.376 -17.842 -5.274 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.363 -16.709 -3.902 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.202 -16.272 -5.410 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.256 -15.263 -7.758 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.201 -15.290 -9.212 1.00 0.58 C ATOM 1624 C GLU B 44 -17.760 -15.255 -9.687 1.00 0.59 C ATOM 1625 O GLU B 44 -17.335 -16.096 -10.480 1.00 0.68 O ATOM 1626 CB GLU B 44 -19.972 -14.114 -9.801 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.450 -14.153 -9.487 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.128 -15.384 -10.053 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -22.379 -15.418 -11.275 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -22.399 -16.328 -9.281 1.00 1.55 O ATOM 0 H GLU B 44 -19.526 -14.362 -7.363 1.00 0.54 H new ATOM 0 HA GLU B 44 -19.663 -16.216 -9.554 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.551 -13.184 -9.419 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -19.837 -14.105 -10.883 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -21.590 -14.129 -8.406 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -21.928 -13.260 -9.890 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.012 -14.284 -9.189 1.00 0.52 N ATOM 1638 CA LEU B 45 -15.608 -14.145 -9.554 1.00 0.55 C ATOM 1639 C LEU B 45 -14.752 -15.111 -8.751 1.00 0.55 C ATOM 1640 O LEU B 45 -13.607 -15.375 -9.112 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.086 -12.723 -9.282 1.00 0.51 C ATOM 1642 CG LEU B 45 -15.701 -11.578 -10.091 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.114 -12.041 -11.471 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -16.877 -10.979 -9.345 1.00 0.99 C ATOM 0 H LEU B 45 -17.351 -13.581 -8.532 1.00 0.52 H new ATOM 0 HA LEU B 45 -15.540 -14.361 -10.620 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.236 -12.506 -8.224 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.010 -12.720 -9.459 1.00 0.51 H new ATOM 0 HG LEU B 45 -14.942 -10.806 -10.218 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -16.547 -11.205 -12.021 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.241 -12.414 -12.006 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -16.852 -12.838 -11.382 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.304 -10.166 -9.932 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -17.634 -11.746 -9.183 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.539 -10.593 -8.383 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.333 -15.649 -7.672 1.00 0.53 N ATOM 1657 CA ASN B 46 -14.621 -16.544 -6.757 1.00 0.59 C ATOM 1658 C ASN B 46 -13.582 -15.709 -6.020 1.00 0.54 C ATOM 1659 O ASN B 46 -12.389 -16.006 -6.027 1.00 0.59 O ATOM 1660 CB ASN B 46 -13.974 -17.714 -7.507 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.474 -18.824 -6.599 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -12.481 -19.486 -6.906 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -14.161 -19.047 -5.489 1.00 1.40 N ATOM 0 H ASN B 46 -16.304 -15.477 -7.411 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.317 -16.990 -6.047 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -14.699 -18.129 -8.207 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.139 -17.337 -8.098 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -13.873 -19.790 -4.852 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -14.978 -18.476 -5.271 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.083 -14.644 -5.397 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.269 -13.671 -4.677 1.00 0.46 C ATOM 1672 C TYR B 47 -12.345 -14.318 -3.655 1.00 0.52 C ATOM 1673 O TYR B 47 -12.787 -14.954 -2.696 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.188 -12.639 -4.001 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.474 -11.568 -3.192 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.157 -11.213 -3.460 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -14.126 -10.916 -2.151 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.508 -10.247 -2.714 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -13.484 -9.945 -1.402 1.00 1.21 C ATOM 1680 CZ TYR B 47 -12.173 -9.616 -1.688 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.522 -8.657 -0.941 1.00 0.51 O ATOM 0 H TYR B 47 -15.080 -14.431 -5.379 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.624 -13.176 -5.403 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.788 -12.152 -4.770 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.880 -13.167 -3.344 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.631 -11.701 -4.267 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -15.150 -11.172 -1.923 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.483 -9.989 -2.936 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -14.005 -9.447 -0.598 1.00 1.21 H new ATOM 0 HH TYR B 47 -12.130 -8.307 -0.257 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.054 -14.145 -3.896 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.011 -14.638 -3.019 1.00 0.64 C ATOM 1693 C ILE B 48 -9.135 -13.455 -2.627 1.00 0.59 C ATOM 1694 O ILE B 48 -8.204 -13.097 -3.352 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.157 -15.734 -3.684 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.040 -16.906 -4.119 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.081 -16.210 -2.721 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -9.317 -17.928 -4.966 1.00 1.28 C ATOM 0 H ILE B 48 -10.701 -13.652 -4.716 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.472 -15.094 -2.143 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.677 -15.318 -4.569 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.438 -17.398 -3.232 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -10.892 -16.520 -4.679 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.482 -16.985 -3.199 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.440 -15.372 -2.449 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.549 -16.615 -1.824 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.005 -18.729 -5.237 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -8.942 -17.451 -5.871 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -8.482 -18.343 -4.402 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.464 -12.833 -1.482 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.783 -11.649 -0.947 1.00 0.64 C ATOM 1712 C PRO B 49 -7.288 -11.589 -1.238 1.00 0.60 C ATOM 1713 O PRO B 49 -6.557 -12.544 -0.967 1.00 0.66 O ATOM 1714 CB PRO B 49 -9.039 -11.792 0.542 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.411 -12.361 0.618 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.555 -13.265 -0.582 1.00 0.72 C ATOM 0 HA PRO B 49 -9.154 -10.730 -1.401 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.308 -12.450 1.011 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.977 -10.831 1.052 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.552 -12.918 1.545 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -11.162 -11.571 0.604 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.454 -14.315 -0.306 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.531 -13.152 -1.054 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.859 -10.450 -1.797 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.459 -10.212 -2.146 1.00 0.58 C ATOM 1726 C ASN B 50 -4.557 -10.412 -0.931 1.00 0.60 C ATOM 1727 O ASN B 50 -4.315 -9.475 -0.181 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.255 -8.776 -2.665 1.00 0.74 C ATOM 1729 CG ASN B 50 -6.231 -8.341 -3.750 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -7.447 -8.461 -3.603 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.694 -7.809 -4.843 1.00 0.68 N ATOM 0 H ASN B 50 -7.476 -9.669 -2.019 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.197 -10.926 -2.927 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -5.338 -8.087 -1.825 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -4.240 -8.686 -3.052 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -6.295 -7.482 -5.599 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.681 -7.728 -4.926 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.049 -11.624 -0.750 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.183 -11.940 0.386 1.00 0.84 C ATOM 1740 C ARG B 51 -1.992 -10.988 0.468 1.00 0.76 C ATOM 1741 O ARG B 51 -1.566 -10.600 1.555 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.680 -13.386 0.284 1.00 1.06 C ATOM 1743 CG ARG B 51 -1.738 -13.789 1.411 1.00 1.68 C ATOM 1744 CD ARG B 51 -2.440 -13.758 2.759 1.00 2.18 C ATOM 1745 NE ARG B 51 -1.495 -13.695 3.876 1.00 2.97 N ATOM 1746 CZ ARG B 51 -1.843 -13.842 5.153 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -3.112 -14.043 5.483 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -0.921 -13.773 6.105 1.00 4.76 N ATOM 0 H ARG B 51 -4.221 -12.410 -1.377 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.776 -11.822 1.293 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -3.537 -14.060 0.281 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.168 -13.517 -0.669 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -1.352 -14.791 1.223 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -0.881 -13.115 1.430 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -3.106 -12.896 2.800 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -3.063 -14.647 2.862 1.00 2.18 H new ATOM 0 HE ARG B 51 -0.511 -13.529 3.663 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -3.827 -14.086 4.757 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -3.373 -14.155 6.463 1.00 4.03 H new ATOM 0 HH21 ARG B 51 0.055 -13.607 5.859 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -1.188 -13.886 7.083 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.478 -10.592 -0.683 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.328 -9.707 -0.738 1.00 0.62 C ATOM 1764 C CYS B 52 -0.704 -8.255 -0.466 1.00 0.58 C ATOM 1765 O CYS B 52 -0.167 -7.624 0.446 1.00 0.61 O ATOM 1766 CB CYS B 52 0.331 -9.816 -2.110 1.00 0.66 C ATOM 1767 SG CYS B 52 0.599 -11.531 -2.670 1.00 0.70 S ATOM 0 H CYS B 52 -1.840 -10.870 -1.595 1.00 0.66 H new ATOM 0 HA CYS B 52 0.366 -10.018 0.043 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.289 -9.298 -2.842 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.290 -9.299 -2.083 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.637 -7.743 -1.254 1.00 0.54 N ATOM 1773 CA ALA B 53 -2.065 -6.351 -1.145 1.00 0.52 C ATOM 1774 C ALA B 53 -2.879 -6.049 0.117 1.00 0.51 C ATOM 1775 O ALA B 53 -2.712 -4.985 0.703 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.832 -5.958 -2.390 1.00 0.53 C ATOM 0 H ALA B 53 -2.117 -8.273 -1.982 1.00 0.54 H new ATOM 0 HA ALA B 53 -1.161 -5.748 -1.056 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -3.151 -4.919 -2.308 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -2.191 -6.073 -3.264 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.707 -6.599 -2.496 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.734 -6.970 0.551 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.557 -6.732 1.739 1.00 0.53 C ATOM 1784 C GLN B 54 -3.728 -6.719 3.018 1.00 0.58 C ATOM 1785 O GLN B 54 -3.913 -5.850 3.871 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.673 -7.765 1.862 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.751 -7.625 0.802 1.00 0.48 C ATOM 1788 CD GLN B 54 -8.032 -8.330 1.192 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -8.017 -9.277 1.977 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -9.148 -7.879 0.641 1.00 0.64 N ATOM 0 H GLN B 54 -3.877 -7.877 0.107 1.00 0.52 H new ATOM 0 HA GLN B 54 -5.001 -5.745 1.610 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -5.241 -8.764 1.799 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -6.131 -7.677 2.847 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.957 -6.568 0.633 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.386 -8.033 -0.141 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.115 -7.091 -0.005 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -10.041 -8.320 0.863 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.824 -7.684 3.161 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.970 -7.746 4.351 1.00 0.62 C ATOM 1801 C GLN B 55 -1.053 -6.531 4.392 1.00 0.60 C ATOM 1802 O GLN B 55 -0.744 -6.000 5.459 1.00 0.66 O ATOM 1803 CB GLN B 55 -1.149 -9.037 4.374 1.00 0.65 C ATOM 1804 CG GLN B 55 -1.991 -10.285 4.571 1.00 1.19 C ATOM 1805 CD GLN B 55 -2.788 -10.263 5.860 1.00 1.78 C ATOM 1806 OE1 GLN B 55 -2.362 -9.679 6.858 1.00 2.38 O ATOM 1807 NE2 GLN B 55 -3.952 -10.893 5.846 1.00 2.52 N ATOM 0 H GLN B 55 -2.662 -8.426 2.480 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.608 -7.742 5.234 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -0.597 -9.124 3.438 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.412 -8.975 5.174 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -2.675 -10.392 3.729 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -1.341 -11.160 4.567 1.00 1.19 H new ATOM 0 HE21 GLN B 55 -4.267 -11.364 4.998 1.00 2.52 H new ATOM 0 HE22 GLN B 55 -4.534 -10.907 6.683 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.631 -6.109 3.209 1.00 0.54 N ATOM 1817 CA LEU B 56 0.216 -4.943 3.047 1.00 0.53 C ATOM 1818 C LEU B 56 -0.541 -3.679 3.415 1.00 0.55 C ATOM 1819 O LEU B 56 -0.273 -3.069 4.445 1.00 0.58 O ATOM 1820 CB LEU B 56 0.663 -4.860 1.596 1.00 0.48 C ATOM 1821 CG LEU B 56 1.954 -4.106 1.361 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.073 -4.755 2.133 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.289 -4.087 -0.110 1.00 0.46 C ATOM 0 H LEU B 56 -0.870 -6.571 2.331 1.00 0.54 H new ATOM 0 HA LEU B 56 1.080 -5.034 3.705 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.777 -5.873 1.209 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.128 -4.384 1.016 1.00 0.48 H new ATOM 0 HG LEU B 56 1.829 -3.079 1.705 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.000 -4.208 1.960 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.837 -4.741 3.197 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.193 -5.786 1.802 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.220 -3.541 -0.264 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.404 -5.109 -0.470 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.486 -3.597 -0.660 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.521 -3.346 2.588 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.335 -2.153 2.760 1.00 0.59 C ATOM 1837 C ALA B 57 -2.941 -2.057 4.157 1.00 0.68 C ATOM 1838 O ALA B 57 -3.060 -0.967 4.716 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.421 -2.136 1.701 1.00 0.55 C ATOM 0 H ALA B 57 -1.775 -3.902 1.771 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.689 -1.282 2.644 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -4.035 -1.244 1.824 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.964 -2.128 0.711 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -4.045 -3.024 1.806 1.00 0.55 H new