USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 HIS :FLIP no HE2:sc= -0.537 F(o=-1.1,f=-0.54) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -0.146 K(o=-0.15,f=-3.6!) USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 141:sc= 0.611 (180deg=0) USER MOD Set 3.2: A 78 GLN : amide:sc= -2.05! C(o=-1.4!,f=-16!) USER MOD Set 4.1: A 67 SER OG : rot -160:sc= 1.11 USER MOD Set 4.2: A 86 ASN : amide:sc= 0.122 K(o=1.2,f=-6.8!) USER MOD Set 5.1: A 42 ASN : amide:sc= -0.868 K(o=-0.68,f=-3.5!) USER MOD Set 5.2: A 57 THR OG1 : rot -160:sc= 0.185 USER MOD Set 6.1: A 37 ASN : amide:sc= -6.1! C(o=-7.8!,f=-8.2!) USER MOD Set 6.2: A 53 ASN : amide:sc= -1.71 K(o=-7.8,f=-14!) USER MOD Set 7.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: A 19 THR OG1 : rot -66:sc= 1.2 USER MOD Set 8.2: A 33 SER OG : rot 3:sc= 1.01 USER MOD Set 9.1: A 11 SER OG : rot 180:sc= 0.258 USER MOD Set 9.2: A 20 SER OG : rot 123:sc= 0.214 USER MOD Set10.1: A 7 THR OG1 : rot -160:sc= 0.0347 USER MOD Set10.2: A 93 ASN : amide:sc= -0.256 K(o=-0.22,f=-4.3!) USER MOD Single : A 1 LEU N :NH3+ -162:sc= -0.0954 (180deg=-0.58) USER MOD Single : A 3 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.118) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.372 F(o=-1.4,f=-0.37) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.72 K(o=-0.72,f=-2.9!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 16 SER OG : rot 106:sc= 0.0165 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.009 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0357 F(o=-0.65,f=-0.036) USER MOD Single : A 52 SER OG : rot 58:sc= 0.944 USER MOD Single : A 60 ASN : amide:sc= -2.03 K(o=-2,f=-6!) USER MOD Single : A 61 THR OG1 : rot 159:sc= 1.24 USER MOD Single : A 62 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -100:sc= -0.0578 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= -0.221 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.257 11.883 -4.171 1.00 0.30 N ATOM 2 CA LEU A 1 83.320 10.834 -4.666 1.00 0.28 C ATOM 3 C LEU A 1 82.426 10.365 -3.519 1.00 0.26 C ATOM 4 O LEU A 1 82.871 10.169 -2.407 1.00 0.27 O ATOM 5 CB LEU A 1 84.111 9.635 -5.197 1.00 0.29 C ATOM 6 CG LEU A 1 85.024 10.066 -6.351 1.00 0.33 C ATOM 7 CD1 LEU A 1 85.858 8.861 -6.804 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.182 10.583 -7.531 1.00 0.42 C ATOM 0 H1 LEU A 1 84.644 12.412 -4.979 1.00 0.30 H new ATOM 0 H2 LEU A 1 83.747 12.535 -3.542 1.00 0.30 H new ATOM 0 H3 LEU A 1 85.035 11.434 -3.647 1.00 0.30 H new ATOM 0 HA LEU A 1 82.711 11.254 -5.466 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.708 9.201 -4.395 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.424 8.860 -5.538 1.00 0.29 H new ATOM 0 HG LEU A 1 85.681 10.867 -6.012 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.511 9.158 -7.625 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.463 8.503 -5.971 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.194 8.064 -7.139 1.00 0.34 H new ATOM 0 HD21 LEU A 1 84.842 10.886 -8.344 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.518 9.792 -7.879 1.00 0.42 H new ATOM 0 HD23 LEU A 1 83.589 11.438 -7.208 1.00 0.42 H new ATOM 22 N GLY A 2 81.163 10.188 -3.787 1.00 0.24 N ATOM 23 CA GLY A 2 80.225 9.730 -2.725 1.00 0.24 C ATOM 24 C GLY A 2 80.074 10.813 -1.653 1.00 0.25 C ATOM 25 O GLY A 2 80.115 11.984 -1.958 1.00 0.33 O ATOM 0 H GLY A 2 80.738 10.342 -4.701 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.253 9.502 -3.162 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.596 8.810 -2.274 1.00 0.24 H new ATOM 29 N LYS A 3 79.883 10.410 -0.405 1.00 0.23 N ATOM 30 CA LYS A 3 79.702 11.359 0.752 1.00 0.23 C ATOM 31 C LYS A 3 78.272 11.904 0.774 1.00 0.19 C ATOM 32 O LYS A 3 77.985 12.901 1.407 1.00 0.20 O ATOM 33 CB LYS A 3 80.711 12.522 0.717 1.00 0.28 C ATOM 34 CG LYS A 3 82.135 11.965 0.782 1.00 0.34 C ATOM 35 CD LYS A 3 83.139 13.119 0.747 1.00 1.04 C ATOM 36 CE LYS A 3 84.560 12.559 0.811 1.00 1.30 C ATOM 37 NZ LYS A 3 84.845 12.093 2.198 1.00 1.98 N ATOM 0 H LYS A 3 79.845 9.427 -0.137 1.00 0.23 H new ATOM 0 HA LYS A 3 79.889 10.793 1.664 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.579 13.105 -0.194 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.534 13.196 1.555 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.267 11.382 1.694 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.311 11.291 -0.056 1.00 0.34 H new ATOM 0 HD2 LYS A 3 83.007 13.703 -0.164 1.00 1.04 H new ATOM 0 HD3 LYS A 3 82.964 13.793 1.585 1.00 1.04 H new ATOM 0 HE2 LYS A 3 84.670 11.733 0.108 1.00 1.30 H new ATOM 0 HE3 LYS A 3 85.278 13.325 0.518 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 85.863 11.903 2.298 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 84.562 12.829 2.876 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 84.309 11.222 2.389 1.00 1.98 H new ATOM 51 N PHE A 4 77.369 11.251 0.095 1.00 0.17 N ATOM 52 CA PHE A 4 75.951 11.719 0.075 1.00 0.17 C ATOM 53 C PHE A 4 75.473 12.042 1.498 1.00 0.16 C ATOM 54 O PHE A 4 74.510 12.761 1.678 1.00 0.15 O ATOM 55 CB PHE A 4 75.061 10.613 -0.517 1.00 0.18 C ATOM 56 CG PHE A 4 74.809 9.538 0.525 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.758 8.533 0.745 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.630 9.563 1.279 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.525 7.553 1.717 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.399 8.585 2.252 1.00 0.23 C ATOM 61 CZ PHE A 4 74.345 7.579 2.471 1.00 0.25 C ATOM 0 H PHE A 4 77.552 10.409 -0.450 1.00 0.17 H new ATOM 0 HA PHE A 4 75.886 12.621 -0.534 1.00 0.17 H new ATOM 0 HB2 PHE A 4 74.114 11.037 -0.851 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.542 10.177 -1.393 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.669 8.514 0.165 1.00 0.21 H new ATOM 0 HD2 PHE A 4 72.898 10.338 1.109 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.256 6.776 1.886 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.490 8.607 2.834 1.00 0.23 H new ATOM 0 HZ PHE A 4 74.166 6.823 3.221 1.00 0.25 H new ATOM 71 N SER A 5 76.098 11.509 2.510 1.00 0.15 N ATOM 72 CA SER A 5 75.621 11.786 3.892 1.00 0.15 C ATOM 73 C SER A 5 75.902 13.240 4.273 1.00 0.14 C ATOM 74 O SER A 5 75.399 13.736 5.261 1.00 0.14 O ATOM 75 CB SER A 5 76.340 10.849 4.863 1.00 0.18 C ATOM 76 OG SER A 5 77.724 11.174 4.892 1.00 0.21 O ATOM 0 H SER A 5 76.912 10.898 2.441 1.00 0.15 H new ATOM 0 HA SER A 5 74.545 11.618 3.941 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.912 10.943 5.861 1.00 0.18 H new ATOM 0 HB3 SER A 5 76.204 9.813 4.554 1.00 0.18 H new ATOM 0 HG SER A 5 78.187 10.576 5.515 1.00 0.21 H new ATOM 82 N GLN A 6 76.688 13.938 3.497 1.00 0.15 N ATOM 83 CA GLN A 6 76.975 15.362 3.825 1.00 0.16 C ATOM 84 C GLN A 6 75.750 16.232 3.531 1.00 0.14 C ATOM 85 O GLN A 6 75.559 17.256 4.159 1.00 0.15 O ATOM 86 CB GLN A 6 78.166 15.856 2.998 1.00 0.20 C ATOM 87 CG GLN A 6 79.445 15.178 3.493 1.00 0.25 C ATOM 88 CD GLN A 6 80.637 15.668 2.669 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.429 16.211 1.500 1.00 0.93 O flip ATOM 90 NE2 GLN A 6 81.771 15.557 3.095 1.00 1.12 N flip ATOM 0 H GLN A 6 77.141 13.584 2.654 1.00 0.15 H new ATOM 0 HA GLN A 6 77.215 15.435 4.886 1.00 0.16 H new ATOM 0 HB2 GLN A 6 78.008 15.633 1.943 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.259 16.939 3.084 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.603 15.402 4.548 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.351 14.095 3.408 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.933 15.133 4.008 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.559 15.888 2.539 1.00 1.12 H new ATOM 99 N THR A 7 74.923 15.850 2.577 1.00 0.13 N ATOM 100 CA THR A 7 73.712 16.683 2.246 1.00 0.14 C ATOM 101 C THR A 7 72.430 15.845 2.319 1.00 0.13 C ATOM 102 O THR A 7 71.413 16.232 1.779 1.00 0.14 O ATOM 103 CB THR A 7 73.853 17.270 0.840 1.00 0.16 C ATOM 104 OG1 THR A 7 74.111 16.222 -0.084 1.00 0.17 O ATOM 105 CG2 THR A 7 75.004 18.276 0.809 1.00 0.20 C ATOM 0 H THR A 7 75.033 15.004 2.017 1.00 0.13 H new ATOM 0 HA THR A 7 73.645 17.488 2.978 1.00 0.14 H new ATOM 0 HB THR A 7 72.928 17.779 0.567 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.509 16.595 -0.898 1.00 0.17 H new ATOM 0 HG21 THR A 7 75.099 18.690 -0.195 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.803 19.081 1.516 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.932 17.775 1.084 1.00 0.20 H new ATOM 113 N CYS A 8 72.450 14.719 2.999 1.00 0.13 N ATOM 114 CA CYS A 8 71.204 13.885 3.125 1.00 0.13 C ATOM 115 C CYS A 8 71.005 13.539 4.605 1.00 0.13 C ATOM 116 O CYS A 8 71.949 13.524 5.370 1.00 0.14 O ATOM 117 CB CYS A 8 71.337 12.613 2.281 1.00 0.12 C ATOM 118 SG CYS A 8 71.580 13.072 0.542 1.00 0.12 S ATOM 0 H CYS A 8 73.272 14.342 3.471 1.00 0.13 H new ATOM 0 HA CYS A 8 70.338 14.438 2.760 1.00 0.13 H new ATOM 0 HB2 CYS A 8 72.178 12.015 2.633 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.443 11.998 2.386 1.00 0.12 H new ATOM 123 N TYR A 9 69.789 13.291 5.032 1.00 0.13 N ATOM 124 CA TYR A 9 69.560 12.978 6.481 1.00 0.14 C ATOM 125 C TYR A 9 68.403 11.975 6.636 1.00 0.14 C ATOM 126 O TYR A 9 67.717 11.649 5.688 1.00 0.14 O ATOM 127 CB TYR A 9 69.238 14.275 7.232 1.00 0.16 C ATOM 128 CG TYR A 9 67.878 14.781 6.825 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.736 15.599 5.699 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.759 14.422 7.577 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.468 16.061 5.326 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.489 14.882 7.206 1.00 0.26 C ATOM 133 CZ TYR A 9 65.343 15.702 6.079 1.00 0.27 C ATOM 134 OH TYR A 9 64.093 16.154 5.713 1.00 0.33 O ATOM 0 H TYR A 9 68.953 13.291 4.448 1.00 0.13 H new ATOM 0 HA TYR A 9 70.461 12.529 6.899 1.00 0.14 H new ATOM 0 HB2 TYR A 9 69.263 14.098 8.307 1.00 0.16 H new ATOM 0 HB3 TYR A 9 69.995 15.028 7.015 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.604 15.874 5.118 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.872 13.789 8.445 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.357 16.694 4.458 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.623 14.605 7.788 1.00 0.26 H new ATOM 0 HH TYR A 9 63.424 15.811 6.342 1.00 0.33 H new ATOM 144 N ASN A 10 68.215 11.459 7.827 1.00 0.15 N ATOM 145 CA ASN A 10 67.135 10.447 8.066 1.00 0.16 C ATOM 146 C ASN A 10 67.330 9.260 7.118 1.00 0.15 C ATOM 147 O ASN A 10 66.384 8.710 6.586 1.00 0.16 O ATOM 148 CB ASN A 10 65.746 11.073 7.853 1.00 0.18 C ATOM 149 CG ASN A 10 65.327 11.854 9.105 1.00 0.21 C ATOM 150 OD1 ASN A 10 65.985 11.791 10.124 1.00 0.81 O ATOM 151 ND2 ASN A 10 64.248 12.587 9.071 1.00 0.67 N ATOM 0 H ASN A 10 68.767 11.697 8.651 1.00 0.15 H new ATOM 0 HA ASN A 10 67.197 10.102 9.098 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.766 11.737 6.989 1.00 0.18 H new ATOM 0 HB3 ASN A 10 65.015 10.293 7.639 1.00 0.18 H new ATOM 0 HD21 ASN A 10 63.958 13.106 9.900 1.00 0.67 H new ATOM 0 HD22 ASN A 10 63.695 12.641 8.216 1.00 0.67 H new ATOM 158 N SER A 11 68.554 8.862 6.906 1.00 0.14 N ATOM 159 CA SER A 11 68.826 7.709 6.001 1.00 0.14 C ATOM 160 C SER A 11 68.312 6.413 6.633 1.00 0.13 C ATOM 161 O SER A 11 68.368 6.219 7.831 1.00 0.14 O ATOM 162 CB SER A 11 70.332 7.589 5.768 1.00 0.15 C ATOM 163 OG SER A 11 70.781 8.709 5.016 1.00 0.18 O ATOM 0 H SER A 11 69.382 9.288 7.323 1.00 0.14 H new ATOM 0 HA SER A 11 68.315 7.875 5.052 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.857 7.543 6.722 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.557 6.665 5.236 1.00 0.15 H new ATOM 0 HG SER A 11 71.747 8.636 4.866 1.00 0.18 H new ATOM 169 N ALA A 12 67.812 5.528 5.813 1.00 0.13 N ATOM 170 CA ALA A 12 67.278 4.229 6.331 1.00 0.13 C ATOM 171 C ALA A 12 67.574 3.117 5.324 1.00 0.13 C ATOM 172 O ALA A 12 67.775 3.366 4.151 1.00 0.13 O ATOM 173 CB ALA A 12 65.764 4.357 6.514 1.00 0.13 C ATOM 0 H ALA A 12 67.749 5.647 4.802 1.00 0.13 H new ATOM 0 HA ALA A 12 67.750 3.988 7.283 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.362 3.417 6.891 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.550 5.155 7.225 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.300 4.591 5.556 1.00 0.13 H new ATOM 179 N ILE A 13 67.607 1.889 5.783 1.00 0.13 N ATOM 180 CA ILE A 13 67.888 0.738 4.867 1.00 0.14 C ATOM 181 C ILE A 13 66.917 -0.407 5.153 1.00 0.14 C ATOM 182 O ILE A 13 66.683 -0.780 6.285 1.00 0.16 O ATOM 183 CB ILE A 13 69.342 0.259 5.053 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.294 1.283 4.415 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.537 -1.106 4.378 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.707 1.131 4.979 1.00 0.17 C ATOM 0 H ILE A 13 67.451 1.633 6.758 1.00 0.13 H new ATOM 0 HA ILE A 13 67.754 1.065 3.836 1.00 0.14 H new ATOM 0 HB ILE A 13 69.556 0.163 6.117 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.312 1.146 3.334 1.00 0.15 H new ATOM 0 HG13 ILE A 13 69.929 2.293 4.602 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.567 -1.436 4.515 1.00 0.16 H new ATOM 0 HG22 ILE A 13 68.860 -1.834 4.826 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.322 -1.019 3.313 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.365 1.865 4.514 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.688 1.292 6.057 1.00 0.17 H new ATOM 0 HD13 ILE A 13 72.077 0.127 4.768 1.00 0.17 H new ATOM 198 N GLN A 14 66.371 -0.973 4.112 1.00 0.14 N ATOM 199 CA GLN A 14 65.424 -2.116 4.262 1.00 0.16 C ATOM 200 C GLN A 14 65.793 -3.166 3.218 1.00 0.15 C ATOM 201 O GLN A 14 65.585 -2.982 2.036 1.00 0.15 O ATOM 202 CB GLN A 14 63.990 -1.636 4.027 1.00 0.18 C ATOM 203 CG GLN A 14 63.028 -2.817 4.183 1.00 0.23 C ATOM 204 CD GLN A 14 61.587 -2.324 4.058 1.00 1.00 C ATOM 205 OE1 GLN A 14 61.275 -1.531 3.192 1.00 1.65 O ATOM 206 NE2 GLN A 14 60.687 -2.767 4.892 1.00 1.56 N ATOM 0 H GLN A 14 66.543 -0.688 3.148 1.00 0.14 H new ATOM 0 HA GLN A 14 65.489 -2.535 5.266 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.737 -0.850 4.738 1.00 0.18 H new ATOM 0 HB3 GLN A 14 63.897 -1.206 3.030 1.00 0.18 H new ATOM 0 HG2 GLN A 14 63.233 -3.569 3.421 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.177 -3.295 5.151 1.00 0.23 H new ATOM 0 HE21 GLN A 14 60.949 -3.433 5.619 1.00 1.56 H new ATOM 0 HE22 GLN A 14 59.721 -2.448 4.817 1.00 1.56 H new ATOM 215 N GLY A 15 66.359 -4.253 3.640 1.00 0.17 N ATOM 216 CA GLY A 15 66.764 -5.286 2.653 1.00 0.16 C ATOM 217 C GLY A 15 67.977 -4.764 1.881 1.00 0.14 C ATOM 218 O GLY A 15 69.006 -4.475 2.459 1.00 0.14 O ATOM 0 H GLY A 15 66.559 -4.473 4.616 1.00 0.17 H new ATOM 0 HA2 GLY A 15 67.009 -6.219 3.160 1.00 0.16 H new ATOM 0 HA3 GLY A 15 65.943 -5.501 1.969 1.00 0.16 H new ATOM 222 N SER A 16 67.857 -4.609 0.585 1.00 0.12 N ATOM 223 CA SER A 16 68.994 -4.075 -0.235 1.00 0.12 C ATOM 224 C SER A 16 68.642 -2.675 -0.759 1.00 0.11 C ATOM 225 O SER A 16 69.393 -2.075 -1.502 1.00 0.12 O ATOM 226 CB SER A 16 69.236 -5.007 -1.423 1.00 0.14 C ATOM 227 OG SER A 16 68.059 -5.070 -2.218 1.00 0.20 O ATOM 0 H SER A 16 67.015 -4.831 0.054 1.00 0.12 H new ATOM 0 HA SER A 16 69.890 -4.017 0.383 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.073 -4.644 -2.020 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.504 -6.003 -1.070 1.00 0.14 H new ATOM 0 HG SER A 16 68.195 -4.562 -3.045 1.00 0.20 H new ATOM 233 N VAL A 17 67.489 -2.161 -0.407 1.00 0.11 N ATOM 234 CA VAL A 17 67.070 -0.817 -0.923 1.00 0.11 C ATOM 235 C VAL A 17 67.498 0.320 0.018 1.00 0.11 C ATOM 236 O VAL A 17 67.135 0.364 1.178 1.00 0.13 O ATOM 237 CB VAL A 17 65.545 -0.797 -1.078 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.077 0.612 -1.455 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.136 -1.778 -2.180 1.00 0.19 C ATOM 0 H VAL A 17 66.819 -2.613 0.215 1.00 0.11 H new ATOM 0 HA VAL A 17 67.560 -0.656 -1.883 1.00 0.11 H new ATOM 0 HB VAL A 17 65.084 -1.087 -0.134 1.00 0.14 H new ATOM 0 HG11 VAL A 17 63.992 0.618 -1.563 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.368 1.313 -0.673 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.538 0.908 -2.397 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.052 -1.767 -2.293 1.00 0.19 H new ATOM 0 HG22 VAL A 17 65.602 -1.484 -3.120 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.462 -2.783 -1.912 1.00 0.19 H new ATOM 249 N LEU A 18 68.233 1.262 -0.506 1.00 0.11 N ATOM 250 CA LEU A 18 68.649 2.446 0.305 1.00 0.12 C ATOM 251 C LEU A 18 67.616 3.548 0.060 1.00 0.12 C ATOM 252 O LEU A 18 67.299 3.875 -1.066 1.00 0.13 O ATOM 253 CB LEU A 18 70.044 2.918 -0.137 1.00 0.14 C ATOM 254 CG LEU A 18 70.410 4.257 0.527 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.413 4.107 2.054 1.00 0.24 C ATOM 256 CD2 LEU A 18 71.806 4.681 0.056 1.00 0.20 C ATOM 0 H LEU A 18 68.567 1.264 -1.470 1.00 0.11 H new ATOM 0 HA LEU A 18 68.698 2.195 1.365 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.786 2.164 0.124 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.068 3.027 -1.221 1.00 0.14 H new ATOM 0 HG LEU A 18 69.674 5.011 0.247 1.00 0.17 H new ATOM 0 HD11 LEU A 18 70.673 5.061 2.513 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.423 3.800 2.391 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.145 3.353 2.344 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.075 5.629 0.521 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.532 3.919 0.339 1.00 0.20 H new ATOM 0 HD23 LEU A 18 71.805 4.796 -1.028 1.00 0.20 H new ATOM 268 N THR A 19 67.089 4.120 1.118 1.00 0.13 N ATOM 269 CA THR A 19 66.062 5.202 0.982 1.00 0.14 C ATOM 270 C THR A 19 66.494 6.411 1.816 1.00 0.14 C ATOM 271 O THR A 19 66.847 6.275 2.971 1.00 0.14 O ATOM 272 CB THR A 19 64.732 4.653 1.507 1.00 0.16 C ATOM 273 OG1 THR A 19 64.330 3.553 0.707 1.00 0.20 O ATOM 274 CG2 THR A 19 63.642 5.727 1.481 1.00 0.19 C ATOM 0 H THR A 19 67.330 3.880 2.080 1.00 0.13 H new ATOM 0 HA THR A 19 65.956 5.511 -0.058 1.00 0.14 H new ATOM 0 HB THR A 19 64.874 4.335 2.540 1.00 0.16 H new ATOM 0 HG1 THR A 19 64.130 3.864 -0.200 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.709 5.308 1.859 1.00 0.19 H new ATOM 0 HG22 THR A 19 63.943 6.566 2.108 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.496 6.072 0.458 1.00 0.19 H new ATOM 282 N SER A 20 66.486 7.588 1.264 1.00 0.14 N ATOM 283 CA SER A 20 66.922 8.757 2.089 1.00 0.15 C ATOM 284 C SER A 20 66.374 10.071 1.526 1.00 0.14 C ATOM 285 O SER A 20 66.036 10.174 0.362 1.00 0.14 O ATOM 286 CB SER A 20 68.451 8.816 2.092 1.00 0.16 C ATOM 287 OG SER A 20 68.877 9.909 2.895 1.00 0.22 O ATOM 0 H SER A 20 66.206 7.795 0.305 1.00 0.14 H new ATOM 0 HA SER A 20 66.536 8.630 3.101 1.00 0.15 H new ATOM 0 HB2 SER A 20 68.862 7.884 2.479 1.00 0.16 H new ATOM 0 HB3 SER A 20 68.824 8.930 1.074 1.00 0.16 H new ATOM 0 HG SER A 20 69.474 9.583 3.601 1.00 0.22 H new ATOM 293 N THR A 21 66.315 11.085 2.355 1.00 0.16 N ATOM 294 CA THR A 21 65.823 12.420 1.888 1.00 0.16 C ATOM 295 C THR A 21 67.051 13.282 1.594 1.00 0.15 C ATOM 296 O THR A 21 67.887 13.477 2.453 1.00 0.17 O ATOM 297 CB THR A 21 64.982 13.071 2.991 1.00 0.19 C ATOM 298 OG1 THR A 21 63.820 12.286 3.224 1.00 0.22 O ATOM 299 CG2 THR A 21 64.570 14.480 2.564 1.00 0.25 C ATOM 0 H THR A 21 66.587 11.046 3.337 1.00 0.16 H new ATOM 0 HA THR A 21 65.204 12.317 0.997 1.00 0.16 H new ATOM 0 HB THR A 21 65.571 13.132 3.906 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.282 12.700 3.931 1.00 0.22 H new ATOM 0 HG21 THR A 21 63.972 14.939 3.352 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.461 15.082 2.388 1.00 0.25 H new ATOM 0 HG23 THR A 21 63.982 14.425 1.648 1.00 0.25 H new ATOM 307 N CYS A 22 67.182 13.782 0.385 1.00 0.14 N ATOM 308 CA CYS A 22 68.382 14.613 0.031 1.00 0.15 C ATOM 309 C CYS A 22 67.965 16.008 -0.435 1.00 0.15 C ATOM 310 O CYS A 22 66.850 16.228 -0.868 1.00 0.16 O ATOM 311 CB CYS A 22 69.154 13.907 -1.085 1.00 0.14 C ATOM 312 SG CYS A 22 69.923 12.409 -0.412 1.00 0.14 S ATOM 0 H CYS A 22 66.510 13.651 -0.371 1.00 0.14 H new ATOM 0 HA CYS A 22 69.010 14.726 0.915 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.482 13.650 -1.904 1.00 0.14 H new ATOM 0 HB3 CYS A 22 69.916 14.570 -1.494 1.00 0.14 H new ATOM 317 N GLU A 23 68.863 16.952 -0.339 1.00 0.18 N ATOM 318 CA GLU A 23 68.550 18.348 -0.757 1.00 0.19 C ATOM 319 C GLU A 23 68.867 18.571 -2.239 1.00 0.19 C ATOM 320 O GLU A 23 69.860 18.111 -2.764 1.00 0.22 O ATOM 321 CB GLU A 23 69.364 19.331 0.084 1.00 0.24 C ATOM 322 CG GLU A 23 68.918 20.759 -0.238 1.00 0.27 C ATOM 323 CD GLU A 23 69.703 21.749 0.622 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.437 21.300 1.488 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.553 22.940 0.406 1.00 0.35 O ATOM 0 H GLU A 23 69.809 16.813 0.015 1.00 0.18 H new ATOM 0 HA GLU A 23 67.484 18.514 -0.603 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.223 19.124 1.145 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.427 19.213 -0.125 1.00 0.24 H new ATOM 0 HG2 GLU A 23 69.080 20.972 -1.295 1.00 0.27 H new ATOM 0 HG3 GLU A 23 67.850 20.868 -0.051 1.00 0.27 H new ATOM 332 N ARG A 24 68.017 19.316 -2.890 1.00 0.20 N ATOM 333 CA ARG A 24 68.204 19.655 -4.328 1.00 0.23 C ATOM 334 C ARG A 24 69.164 20.841 -4.447 1.00 0.25 C ATOM 335 O ARG A 24 69.316 21.630 -3.536 1.00 0.24 O ATOM 336 CB ARG A 24 66.854 20.060 -4.923 1.00 0.24 C ATOM 337 CG ARG A 24 65.900 18.863 -4.894 1.00 0.34 C ATOM 338 CD ARG A 24 64.592 19.237 -5.592 1.00 0.51 C ATOM 339 NE ARG A 24 64.836 19.375 -7.056 1.00 0.97 N ATOM 340 CZ ARG A 24 63.832 19.409 -7.887 1.00 1.52 C ATOM 341 NH1 ARG A 24 62.609 19.325 -7.439 1.00 1.87 N ATOM 342 NH2 ARG A 24 64.050 19.524 -9.170 1.00 2.24 N ATOM 0 H ARG A 24 67.177 19.715 -2.472 1.00 0.20 H new ATOM 0 HA ARG A 24 68.608 18.793 -4.858 1.00 0.23 H new ATOM 0 HB2 ARG A 24 66.430 20.890 -4.357 1.00 0.24 H new ATOM 0 HB3 ARG A 24 66.986 20.408 -5.948 1.00 0.24 H new ATOM 0 HG2 ARG A 24 66.358 18.007 -5.390 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.703 18.566 -3.864 1.00 0.34 H new ATOM 0 HD2 ARG A 24 63.837 18.473 -5.408 1.00 0.51 H new ATOM 0 HD3 ARG A 24 64.205 20.172 -5.187 1.00 0.51 H new ATOM 0 HE ARG A 24 65.791 19.443 -7.408 1.00 0.97 H new ATOM 0 HH11 ARG A 24 62.438 19.233 -6.438 1.00 1.87 H new ATOM 0 HH12 ARG A 24 61.824 19.352 -8.090 1.00 1.87 H new ATOM 0 HH21 ARG A 24 65.006 19.587 -9.521 1.00 2.24 H new ATOM 0 HH22 ARG A 24 63.265 19.551 -9.820 1.00 2.24 H new ATOM 356 N THR A 25 69.829 20.954 -5.565 1.00 0.32 N ATOM 357 CA THR A 25 70.801 22.068 -5.760 1.00 0.37 C ATOM 358 C THR A 25 70.095 23.418 -5.640 1.00 0.34 C ATOM 359 O THR A 25 70.651 24.369 -5.125 1.00 0.35 O ATOM 360 CB THR A 25 71.435 21.946 -7.151 1.00 0.45 C ATOM 361 OG1 THR A 25 70.424 21.646 -8.104 1.00 1.12 O ATOM 362 CG2 THR A 25 72.486 20.831 -7.147 1.00 1.23 C ATOM 0 H THR A 25 69.740 20.318 -6.357 1.00 0.32 H new ATOM 0 HA THR A 25 71.572 22.005 -4.992 1.00 0.37 H new ATOM 0 HB THR A 25 71.916 22.888 -7.413 1.00 0.45 H new ATOM 0 HG1 THR A 25 70.826 21.569 -8.994 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.933 20.749 -8.138 1.00 1.23 H new ATOM 0 HG22 THR A 25 73.261 21.064 -6.417 1.00 1.23 H new ATOM 0 HG23 THR A 25 72.012 19.885 -6.883 1.00 1.23 H new ATOM 370 N ASN A 26 68.889 23.525 -6.127 1.00 0.32 N ATOM 371 CA ASN A 26 68.173 24.839 -6.049 1.00 0.30 C ATOM 372 C ASN A 26 67.355 24.919 -4.758 1.00 0.27 C ATOM 373 O ASN A 26 66.342 25.586 -4.697 1.00 0.25 O ATOM 374 CB ASN A 26 67.248 24.996 -7.255 1.00 0.31 C ATOM 375 CG ASN A 26 68.091 25.057 -8.528 1.00 1.30 C ATOM 376 OD1 ASN A 26 69.037 25.815 -8.609 1.00 1.98 O ATOM 377 ND2 ASN A 26 67.790 24.279 -9.526 1.00 2.23 N ATOM 0 H ASN A 26 68.369 22.769 -6.573 1.00 0.32 H new ATOM 0 HA ASN A 26 68.910 25.642 -6.051 1.00 0.30 H new ATOM 0 HB2 ASN A 26 66.551 24.160 -7.305 1.00 0.31 H new ATOM 0 HB3 ASN A 26 66.651 25.903 -7.156 1.00 0.31 H new ATOM 0 HD21 ASN A 26 68.349 24.304 -10.379 1.00 2.23 H new ATOM 0 HD22 ASN A 26 66.995 23.643 -9.456 1.00 2.23 H new ATOM 384 N GLY A 27 67.787 24.250 -3.723 1.00 0.27 N ATOM 385 CA GLY A 27 67.032 24.298 -2.441 1.00 0.26 C ATOM 386 C GLY A 27 65.773 23.437 -2.552 1.00 0.23 C ATOM 387 O GLY A 27 65.308 23.141 -3.634 1.00 0.22 O ATOM 0 H GLY A 27 68.629 23.674 -3.711 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.659 23.939 -1.625 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.761 25.327 -2.206 1.00 0.26 H new ATOM 391 N GLY A 28 65.263 22.974 -1.437 1.00 0.23 N ATOM 392 CA GLY A 28 64.073 22.058 -1.464 1.00 0.23 C ATOM 393 C GLY A 28 64.578 20.651 -1.133 1.00 0.23 C ATOM 394 O GLY A 28 65.738 20.355 -1.342 1.00 0.24 O ATOM 0 H GLY A 28 65.618 23.190 -0.506 1.00 0.23 H new ATOM 0 HA2 GLY A 28 63.324 22.378 -0.740 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.596 22.075 -2.444 1.00 0.23 H new ATOM 398 N TYR A 29 63.737 19.768 -0.641 1.00 0.22 N ATOM 399 CA TYR A 29 64.207 18.375 -0.326 1.00 0.21 C ATOM 400 C TYR A 29 63.525 17.377 -1.259 1.00 0.20 C ATOM 401 O TYR A 29 62.369 17.515 -1.604 1.00 0.21 O ATOM 402 CB TYR A 29 63.873 18.016 1.131 1.00 0.24 C ATOM 403 CG TYR A 29 64.881 18.666 2.057 1.00 0.27 C ATOM 404 CD1 TYR A 29 66.184 18.143 2.163 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.516 19.791 2.805 1.00 0.31 C ATOM 406 CE1 TYR A 29 67.110 18.752 3.019 1.00 0.32 C ATOM 407 CE2 TYR A 29 65.444 20.397 3.659 1.00 0.35 C ATOM 408 CZ TYR A 29 66.740 19.878 3.766 1.00 0.36 C ATOM 409 OH TYR A 29 67.654 20.478 4.608 1.00 0.42 O ATOM 0 H TYR A 29 62.752 19.949 -0.445 1.00 0.22 H new ATOM 0 HA TYR A 29 65.287 18.331 -0.467 1.00 0.21 H new ATOM 0 HB2 TYR A 29 62.866 18.353 1.378 1.00 0.24 H new ATOM 0 HB3 TYR A 29 63.888 16.934 1.262 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.468 17.275 1.586 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.517 20.192 2.723 1.00 0.31 H new ATOM 0 HE1 TYR A 29 68.110 18.353 3.103 1.00 0.32 H new ATOM 0 HE2 TYR A 29 65.161 21.265 4.236 1.00 0.35 H new ATOM 0 HH TYR A 29 67.236 21.246 5.050 1.00 0.42 H new ATOM 419 N ASN A 30 64.248 16.362 -1.653 1.00 0.19 N ATOM 420 CA ASN A 30 63.691 15.314 -2.563 1.00 0.20 C ATOM 421 C ASN A 30 63.876 13.953 -1.895 1.00 0.19 C ATOM 422 O ASN A 30 64.818 13.747 -1.154 1.00 0.21 O ATOM 423 CB ASN A 30 64.451 15.351 -3.894 1.00 0.23 C ATOM 424 CG ASN A 30 63.785 14.405 -4.896 1.00 0.27 C ATOM 425 OD1 ASN A 30 62.646 14.019 -4.722 1.00 0.42 O ATOM 426 ND2 ASN A 30 64.453 14.015 -5.949 1.00 0.35 N ATOM 0 H ASN A 30 65.219 16.211 -1.378 1.00 0.19 H new ATOM 0 HA ASN A 30 62.633 15.492 -2.753 1.00 0.20 H new ATOM 0 HB2 ASN A 30 64.461 16.367 -4.290 1.00 0.23 H new ATOM 0 HB3 ASN A 30 65.490 15.059 -3.739 1.00 0.23 H new ATOM 0 HD21 ASN A 30 64.018 13.387 -6.625 1.00 0.35 H new ATOM 0 HD22 ASN A 30 65.409 14.339 -6.095 1.00 0.35 H new ATOM 433 N THR A 31 62.975 13.027 -2.133 1.00 0.18 N ATOM 434 CA THR A 31 63.069 11.675 -1.491 1.00 0.17 C ATOM 435 C THR A 31 63.172 10.621 -2.592 1.00 0.15 C ATOM 436 O THR A 31 62.396 10.621 -3.526 1.00 0.17 O ATOM 437 CB THR A 31 61.791 11.477 -0.674 1.00 0.21 C ATOM 438 OG1 THR A 31 61.710 12.500 0.307 1.00 0.28 O ATOM 439 CG2 THR A 31 61.754 10.117 0.028 1.00 0.23 C ATOM 0 H THR A 31 62.172 13.152 -2.750 1.00 0.18 H new ATOM 0 HA THR A 31 63.942 11.589 -0.845 1.00 0.17 H new ATOM 0 HB THR A 31 60.947 11.520 -1.363 1.00 0.21 H new ATOM 0 HG1 THR A 31 60.893 12.383 0.835 1.00 0.28 H new ATOM 0 HG21 THR A 31 60.827 10.025 0.595 1.00 0.23 H new ATOM 0 HG22 THR A 31 61.805 9.322 -0.716 1.00 0.23 H new ATOM 0 HG23 THR A 31 62.603 10.034 0.706 1.00 0.23 H new ATOM 447 N SER A 32 64.122 9.728 -2.516 1.00 0.15 N ATOM 448 CA SER A 32 64.252 8.704 -3.592 1.00 0.16 C ATOM 449 C SER A 32 64.871 7.417 -3.043 1.00 0.16 C ATOM 450 O SER A 32 65.349 7.356 -1.928 1.00 0.17 O ATOM 451 CB SER A 32 65.129 9.255 -4.714 1.00 0.20 C ATOM 452 OG SER A 32 66.420 9.556 -4.198 1.00 0.27 O ATOM 0 H SER A 32 64.807 9.663 -1.763 1.00 0.15 H new ATOM 0 HA SER A 32 63.259 8.474 -3.977 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.208 8.526 -5.520 1.00 0.20 H new ATOM 0 HB3 SER A 32 64.676 10.151 -5.138 1.00 0.20 H new ATOM 0 HG SER A 32 66.986 9.908 -4.917 1.00 0.27 H new ATOM 458 N SER A 33 64.846 6.384 -3.841 1.00 0.16 N ATOM 459 CA SER A 33 65.407 5.068 -3.421 1.00 0.16 C ATOM 460 C SER A 33 66.203 4.455 -4.573 1.00 0.14 C ATOM 461 O SER A 33 65.899 4.653 -5.732 1.00 0.15 O ATOM 462 CB SER A 33 64.257 4.132 -3.041 1.00 0.18 C ATOM 463 OG SER A 33 63.706 4.548 -1.799 1.00 0.24 O ATOM 0 H SER A 33 64.454 6.397 -4.782 1.00 0.16 H new ATOM 0 HA SER A 33 66.067 5.209 -2.565 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.490 4.146 -3.815 1.00 0.18 H new ATOM 0 HB3 SER A 33 64.617 3.106 -2.967 1.00 0.18 H new ATOM 0 HG SER A 33 64.159 5.363 -1.497 1.00 0.24 H new ATOM 469 N ILE A 34 67.224 3.705 -4.254 1.00 0.14 N ATOM 470 CA ILE A 34 68.064 3.064 -5.311 1.00 0.14 C ATOM 471 C ILE A 34 68.470 1.663 -4.850 1.00 0.13 C ATOM 472 O ILE A 34 68.769 1.445 -3.693 1.00 0.16 O ATOM 473 CB ILE A 34 69.316 3.912 -5.536 1.00 0.17 C ATOM 474 CG1 ILE A 34 70.148 3.303 -6.669 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.149 3.946 -4.254 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.224 4.298 -7.105 1.00 0.28 C ATOM 0 H ILE A 34 67.516 3.506 -3.297 1.00 0.14 H new ATOM 0 HA ILE A 34 67.500 2.991 -6.241 1.00 0.14 H new ATOM 0 HB ILE A 34 69.023 4.927 -5.804 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.611 2.374 -6.336 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.505 3.054 -7.513 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.041 4.551 -4.416 1.00 0.17 H new ATOM 0 HG22 ILE A 34 69.558 4.380 -3.447 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.442 2.932 -3.984 1.00 0.17 H new ATOM 0 HD11 ILE A 34 71.816 3.864 -7.911 1.00 0.28 H new ATOM 0 HD12 ILE A 34 70.751 5.215 -7.455 1.00 0.28 H new ATOM 0 HD13 ILE A 34 71.874 4.525 -6.260 1.00 0.28 H new ATOM 488 N ASP A 35 68.475 0.706 -5.739 1.00 0.14 N ATOM 489 CA ASP A 35 68.849 -0.682 -5.333 1.00 0.14 C ATOM 490 C ASP A 35 70.377 -0.807 -5.283 1.00 0.13 C ATOM 491 O ASP A 35 71.049 -0.704 -6.289 1.00 0.14 O ATOM 492 CB ASP A 35 68.285 -1.682 -6.347 1.00 0.15 C ATOM 493 CG ASP A 35 68.414 -3.102 -5.788 1.00 0.16 C ATOM 494 OD1 ASP A 35 69.069 -3.259 -4.771 1.00 0.18 O ATOM 495 OD2 ASP A 35 67.860 -4.007 -6.391 1.00 0.20 O ATOM 0 H ASP A 35 68.238 0.823 -6.724 1.00 0.14 H new ATOM 0 HA ASP A 35 68.436 -0.895 -4.347 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.239 -1.455 -6.555 1.00 0.15 H new ATOM 0 HB3 ASP A 35 68.823 -1.601 -7.292 1.00 0.15 H new ATOM 500 N LEU A 36 70.928 -1.050 -4.124 1.00 0.13 N ATOM 501 CA LEU A 36 72.411 -1.203 -4.013 1.00 0.14 C ATOM 502 C LEU A 36 72.807 -2.601 -4.474 1.00 0.13 C ATOM 503 O LEU A 36 73.972 -2.934 -4.560 1.00 0.13 O ATOM 504 CB LEU A 36 72.849 -1.043 -2.556 1.00 0.16 C ATOM 505 CG LEU A 36 72.516 0.358 -2.033 1.00 0.17 C ATOM 506 CD1 LEU A 36 72.774 0.406 -0.516 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.393 1.406 -2.741 1.00 0.24 C ATOM 0 H LEU A 36 70.416 -1.150 -3.247 1.00 0.13 H new ATOM 0 HA LEU A 36 72.889 -0.442 -4.630 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.353 -1.793 -1.939 1.00 0.16 H new ATOM 0 HB3 LEU A 36 73.921 -1.221 -2.473 1.00 0.16 H new ATOM 0 HG LEU A 36 71.468 0.580 -2.235 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.539 1.401 -0.138 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.144 -0.330 -0.016 1.00 0.22 H new ATOM 0 HD13 LEU A 36 73.822 0.181 -0.318 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.150 2.399 -2.363 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.444 1.192 -2.547 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.207 1.371 -3.814 1.00 0.24 H new ATOM 519 N ASN A 37 71.850 -3.433 -4.746 1.00 0.13 N ATOM 520 CA ASN A 37 72.167 -4.823 -5.164 1.00 0.12 C ATOM 521 C ASN A 37 73.011 -4.818 -6.444 1.00 0.11 C ATOM 522 O ASN A 37 73.890 -5.639 -6.617 1.00 0.11 O ATOM 523 CB ASN A 37 70.860 -5.580 -5.408 1.00 0.14 C ATOM 524 CG ASN A 37 71.176 -7.010 -5.831 1.00 0.15 C ATOM 525 OD1 ASN A 37 71.861 -7.229 -6.812 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.707 -8.001 -5.125 1.00 0.22 N ATOM 0 H ASN A 37 70.856 -3.211 -4.697 1.00 0.13 H new ATOM 0 HA ASN A 37 72.738 -5.314 -4.376 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.253 -5.582 -4.502 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.276 -5.081 -6.181 1.00 0.14 H new ATOM 0 HD21 ASN A 37 70.914 -8.963 -5.395 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.133 -7.815 -4.303 1.00 0.22 H new ATOM 533 N SER A 38 72.735 -3.930 -7.357 1.00 0.12 N ATOM 534 CA SER A 38 73.502 -3.902 -8.640 1.00 0.12 C ATOM 535 C SER A 38 74.941 -3.385 -8.454 1.00 0.12 C ATOM 536 O SER A 38 75.642 -3.201 -9.428 1.00 0.13 O ATOM 537 CB SER A 38 72.777 -2.995 -9.634 1.00 0.12 C ATOM 538 OG SER A 38 72.701 -1.680 -9.102 1.00 1.29 O ATOM 0 H SER A 38 72.009 -3.218 -7.273 1.00 0.12 H new ATOM 0 HA SER A 38 73.562 -4.926 -9.010 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.307 -2.984 -10.587 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.776 -3.379 -9.830 1.00 0.12 H new ATOM 0 HG SER A 38 72.238 -1.096 -9.738 1.00 1.29 H new ATOM 544 N VAL A 39 75.392 -3.105 -7.247 1.00 0.12 N ATOM 545 CA VAL A 39 76.797 -2.573 -7.091 1.00 0.13 C ATOM 546 C VAL A 39 77.555 -3.245 -5.924 1.00 0.14 C ATOM 547 O VAL A 39 78.718 -2.964 -5.715 1.00 0.16 O ATOM 548 CB VAL A 39 76.733 -1.050 -6.866 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.514 -0.338 -8.205 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.572 -0.713 -5.930 1.00 0.17 C ATOM 0 H VAL A 39 74.865 -3.217 -6.381 1.00 0.12 H new ATOM 0 HA VAL A 39 77.347 -2.803 -8.003 1.00 0.13 H new ATOM 0 HB VAL A 39 77.672 -0.719 -6.421 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.469 0.739 -8.042 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.339 -0.569 -8.879 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.578 -0.677 -8.648 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.531 0.365 -5.774 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.636 -1.051 -6.375 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.720 -1.213 -4.973 1.00 0.17 H new ATOM 560 N ILE A 40 76.929 -4.125 -5.169 1.00 0.14 N ATOM 561 CA ILE A 40 77.653 -4.796 -4.018 1.00 0.15 C ATOM 562 C ILE A 40 77.762 -6.314 -4.224 1.00 0.13 C ATOM 563 O ILE A 40 76.804 -6.985 -4.549 1.00 0.13 O ATOM 564 CB ILE A 40 76.918 -4.507 -2.703 1.00 0.17 C ATOM 565 CG1 ILE A 40 76.946 -2.999 -2.443 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.622 -5.218 -1.544 1.00 0.17 C ATOM 567 CD1 ILE A 40 75.940 -2.632 -1.352 1.00 0.27 C ATOM 0 H ILE A 40 75.957 -4.409 -5.293 1.00 0.14 H new ATOM 0 HA ILE A 40 78.663 -4.388 -3.977 1.00 0.15 H new ATOM 0 HB ILE A 40 75.891 -4.864 -2.778 1.00 0.17 H new ATOM 0 HG12 ILE A 40 77.948 -2.693 -2.142 1.00 0.24 H new ATOM 0 HG13 ILE A 40 76.711 -2.460 -3.361 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.094 -5.008 -0.614 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.625 -6.293 -1.725 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.649 -4.860 -1.467 1.00 0.17 H new ATOM 0 HD11 ILE A 40 75.970 -1.557 -1.176 1.00 0.27 H new ATOM 0 HD12 ILE A 40 74.938 -2.920 -1.669 1.00 0.27 H new ATOM 0 HD13 ILE A 40 76.194 -3.157 -0.431 1.00 0.27 H new ATOM 579 N GLU A 41 78.953 -6.848 -4.022 1.00 0.14 N ATOM 580 CA GLU A 41 79.197 -8.325 -4.175 1.00 0.13 C ATOM 581 C GLU A 41 79.788 -8.872 -2.876 1.00 0.12 C ATOM 582 O GLU A 41 80.475 -8.175 -2.164 1.00 0.12 O ATOM 583 CB GLU A 41 80.225 -8.571 -5.288 1.00 0.16 C ATOM 584 CG GLU A 41 80.561 -10.064 -5.371 1.00 0.19 C ATOM 585 CD GLU A 41 81.341 -10.339 -6.657 1.00 0.24 C ATOM 586 OE1 GLU A 41 81.577 -9.397 -7.395 1.00 0.33 O ATOM 587 OE2 GLU A 41 81.687 -11.487 -6.883 1.00 0.30 O ATOM 0 H GLU A 41 79.778 -6.312 -3.753 1.00 0.14 H new ATOM 0 HA GLU A 41 78.253 -8.814 -4.414 1.00 0.13 H new ATOM 0 HB2 GLU A 41 79.829 -8.225 -6.243 1.00 0.16 H new ATOM 0 HB3 GLU A 41 81.130 -7.997 -5.092 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.150 -10.364 -4.504 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.646 -10.655 -5.354 1.00 0.19 H new ATOM 594 N ASN A 42 79.576 -10.134 -2.591 1.00 0.12 N ATOM 595 CA ASN A 42 80.165 -10.766 -1.375 1.00 0.12 C ATOM 596 C ASN A 42 81.402 -11.543 -1.819 1.00 0.12 C ATOM 597 O ASN A 42 81.302 -12.461 -2.610 1.00 0.12 O ATOM 598 CB ASN A 42 79.151 -11.736 -0.763 1.00 0.14 C ATOM 599 CG ASN A 42 79.786 -12.447 0.434 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.837 -12.053 0.903 1.00 0.19 O ATOM 601 ND2 ASN A 42 79.191 -13.487 0.951 1.00 0.27 N ATOM 0 H ASN A 42 79.009 -10.761 -3.162 1.00 0.12 H new ATOM 0 HA ASN A 42 80.425 -10.011 -0.633 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.259 -11.195 -0.447 1.00 0.14 H new ATOM 0 HB3 ASN A 42 78.834 -12.466 -1.508 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.607 -13.969 1.748 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.310 -13.818 0.558 1.00 0.27 H new ATOM 608 N VAL A 43 82.569 -11.189 -1.331 1.00 0.12 N ATOM 609 CA VAL A 43 83.814 -11.919 -1.747 1.00 0.14 C ATOM 610 C VAL A 43 84.407 -12.673 -0.556 1.00 0.13 C ATOM 611 O VAL A 43 85.038 -12.116 0.320 1.00 0.13 O ATOM 612 CB VAL A 43 84.834 -10.910 -2.291 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.136 -11.639 -2.637 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.265 -10.236 -3.555 1.00 0.22 C ATOM 0 H VAL A 43 82.714 -10.430 -0.666 1.00 0.12 H new ATOM 0 HA VAL A 43 83.566 -12.641 -2.525 1.00 0.14 H new ATOM 0 HB VAL A 43 85.035 -10.150 -1.536 1.00 0.16 H new ATOM 0 HG11 VAL A 43 86.862 -10.924 -3.024 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.536 -12.114 -1.741 1.00 0.21 H new ATOM 0 HG13 VAL A 43 85.938 -12.399 -3.393 1.00 0.21 H new ATOM 0 HG21 VAL A 43 84.989 -9.519 -3.942 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.064 -10.994 -4.312 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.339 -9.718 -3.306 1.00 0.22 H new ATOM 624 N ASP A 44 84.215 -13.960 -0.560 1.00 0.13 N ATOM 625 CA ASP A 44 84.758 -14.848 0.506 1.00 0.14 C ATOM 626 C ASP A 44 84.595 -14.241 1.907 1.00 0.13 C ATOM 627 O ASP A 44 85.471 -14.378 2.736 1.00 0.14 O ATOM 628 CB ASP A 44 86.238 -15.116 0.221 1.00 0.16 C ATOM 629 CG ASP A 44 86.753 -16.224 1.145 1.00 0.17 C ATOM 630 OD1 ASP A 44 86.051 -16.561 2.085 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.839 -16.719 0.895 1.00 0.23 O ATOM 0 H ASP A 44 83.687 -14.450 -1.282 1.00 0.13 H new ATOM 0 HA ASP A 44 84.192 -15.779 0.494 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.370 -15.408 -0.821 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.817 -14.205 0.372 1.00 0.16 H new ATOM 636 N GLY A 45 83.471 -13.616 2.201 1.00 0.14 N ATOM 637 CA GLY A 45 83.261 -13.061 3.588 1.00 0.16 C ATOM 638 C GLY A 45 83.029 -11.542 3.619 1.00 0.14 C ATOM 639 O GLY A 45 82.472 -11.045 4.578 1.00 0.13 O ATOM 0 H GLY A 45 82.699 -13.467 1.551 1.00 0.14 H new ATOM 0 HA2 GLY A 45 82.405 -13.559 4.043 1.00 0.16 H new ATOM 0 HA3 GLY A 45 84.131 -13.299 4.200 1.00 0.16 H new ATOM 643 N SER A 46 83.480 -10.780 2.645 1.00 0.14 N ATOM 644 CA SER A 46 83.316 -9.282 2.719 1.00 0.14 C ATOM 645 C SER A 46 82.505 -8.718 1.555 1.00 0.13 C ATOM 646 O SER A 46 82.621 -9.146 0.424 1.00 0.15 O ATOM 647 CB SER A 46 84.704 -8.644 2.676 1.00 0.16 C ATOM 648 OG SER A 46 85.325 -8.963 1.436 1.00 1.34 O ATOM 0 H SER A 46 83.951 -11.124 1.808 1.00 0.14 H new ATOM 0 HA SER A 46 82.782 -9.056 3.642 1.00 0.14 H new ATOM 0 HB2 SER A 46 84.625 -7.563 2.790 1.00 0.16 H new ATOM 0 HB3 SER A 46 85.311 -9.008 3.505 1.00 0.16 H new ATOM 0 HG SER A 46 86.215 -8.555 1.402 1.00 1.34 H new ATOM 654 N LEU A 47 81.729 -7.698 1.828 1.00 0.12 N ATOM 655 CA LEU A 47 80.947 -7.024 0.757 1.00 0.12 C ATOM 656 C LEU A 47 81.883 -6.071 0.008 1.00 0.13 C ATOM 657 O LEU A 47 82.558 -5.259 0.612 1.00 0.15 O ATOM 658 CB LEU A 47 79.805 -6.204 1.377 1.00 0.14 C ATOM 659 CG LEU A 47 78.866 -7.117 2.174 1.00 0.15 C ATOM 660 CD1 LEU A 47 77.751 -6.267 2.792 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.253 -8.181 1.246 1.00 0.25 C ATOM 0 H LEU A 47 81.606 -7.302 2.760 1.00 0.12 H new ATOM 0 HA LEU A 47 80.529 -7.771 0.083 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.215 -5.433 2.030 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.247 -5.693 0.592 1.00 0.14 H new ATOM 0 HG LEU A 47 79.428 -7.619 2.961 1.00 0.15 H new ATOM 0 HD11 LEU A 47 77.078 -6.908 3.361 1.00 0.25 H new ATOM 0 HD12 LEU A 47 78.188 -5.520 3.455 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.193 -5.767 2.000 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.587 -8.825 1.821 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.688 -7.690 0.453 1.00 0.25 H new ATOM 0 HD23 LEU A 47 79.049 -8.782 0.806 1.00 0.25 H new ATOM 673 N LYS A 48 81.923 -6.157 -1.304 1.00 0.13 N ATOM 674 CA LYS A 48 82.813 -5.248 -2.108 1.00 0.16 C ATOM 675 C LYS A 48 81.979 -4.495 -3.144 1.00 0.15 C ATOM 676 O LYS A 48 80.867 -4.868 -3.450 1.00 0.14 O ATOM 677 CB LYS A 48 83.911 -6.055 -2.817 1.00 0.21 C ATOM 678 CG LYS A 48 84.949 -6.524 -1.790 1.00 0.28 C ATOM 679 CD LYS A 48 86.152 -7.134 -2.512 1.00 0.87 C ATOM 680 CE LYS A 48 87.214 -7.532 -1.486 1.00 1.19 C ATOM 681 NZ LYS A 48 88.415 -8.063 -2.191 1.00 1.84 N ATOM 0 H LYS A 48 81.377 -6.819 -1.855 1.00 0.13 H new ATOM 0 HA LYS A 48 83.285 -4.536 -1.431 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.474 -6.914 -3.326 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.391 -5.443 -3.581 1.00 0.21 H new ATOM 0 HG2 LYS A 48 85.270 -5.684 -1.174 1.00 0.28 H new ATOM 0 HG3 LYS A 48 84.504 -7.259 -1.119 1.00 0.28 H new ATOM 0 HD2 LYS A 48 85.841 -8.007 -3.086 1.00 0.87 H new ATOM 0 HD3 LYS A 48 86.566 -6.417 -3.221 1.00 0.87 H new ATOM 0 HE2 LYS A 48 87.488 -6.670 -0.878 1.00 1.19 H new ATOM 0 HE3 LYS A 48 86.815 -8.286 -0.808 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 89.136 -8.333 -1.492 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 88.148 -8.896 -2.753 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 88.800 -7.330 -2.821 1.00 1.84 H new ATOM 695 N TRP A 49 82.513 -3.432 -3.675 1.00 0.14 N ATOM 696 CA TRP A 49 81.752 -2.621 -4.677 1.00 0.13 C ATOM 697 C TRP A 49 81.701 -3.330 -6.040 1.00 0.13 C ATOM 698 O TRP A 49 82.485 -3.038 -6.921 1.00 0.13 O ATOM 699 CB TRP A 49 82.449 -1.262 -4.852 1.00 0.13 C ATOM 700 CG TRP A 49 82.125 -0.379 -3.692 1.00 0.13 C ATOM 701 CD1 TRP A 49 82.994 -0.005 -2.724 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.851 0.238 -3.361 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.331 0.805 -1.819 1.00 0.14 N ATOM 704 CE2 TRP A 49 81.007 0.986 -2.171 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.586 0.222 -3.976 1.00 0.18 C ATOM 706 CZ2 TRP A 49 79.946 1.696 -1.613 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.514 0.934 -3.415 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.695 1.673 -2.238 1.00 0.20 C ATOM 0 H TRP A 49 83.448 -3.085 -3.460 1.00 0.14 H new ATOM 0 HA TRP A 49 80.733 -2.490 -4.314 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.527 -1.402 -4.925 1.00 0.13 H new ATOM 0 HB3 TRP A 49 82.125 -0.793 -5.781 1.00 0.13 H new ATOM 0 HD1 TRP A 49 84.034 -0.292 -2.667 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.766 1.218 -0.994 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.439 -0.342 -4.885 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 80.089 2.261 -0.703 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.546 0.912 -3.893 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.869 2.224 -1.814 1.00 0.20 H new ATOM 719 N GLN A 50 80.796 -4.259 -6.224 1.00 0.12 N ATOM 720 CA GLN A 50 80.715 -4.975 -7.536 1.00 0.13 C ATOM 721 C GLN A 50 79.350 -5.702 -7.612 1.00 0.12 C ATOM 722 O GLN A 50 78.896 -6.240 -6.628 1.00 0.13 O ATOM 723 CB GLN A 50 81.866 -5.998 -7.591 1.00 0.16 C ATOM 724 CG GLN A 50 82.180 -6.399 -9.035 1.00 0.26 C ATOM 725 CD GLN A 50 83.493 -7.185 -9.064 1.00 1.10 C ATOM 726 OE1 GLN A 50 83.807 -7.946 -8.052 1.00 1.88 O flip ATOM 727 NE2 GLN A 50 84.240 -7.103 -10.018 1.00 1.92 N flip ATOM 0 H GLN A 50 80.112 -4.552 -5.526 1.00 0.12 H new ATOM 0 HA GLN A 50 80.800 -4.282 -8.373 1.00 0.13 H new ATOM 0 HB2 GLN A 50 82.756 -5.574 -7.127 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.597 -6.883 -7.015 1.00 0.16 H new ATOM 0 HG2 GLN A 50 81.370 -7.005 -9.441 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.259 -5.511 -9.663 1.00 0.26 H new ATOM 0 HE21 GLN A 50 83.994 -6.508 -10.809 1.00 1.92 H new ATOM 0 HE22 GLN A 50 85.114 -7.629 -10.028 1.00 1.92 H new ATOM 736 N PRO A 51 78.682 -5.719 -8.754 1.00 0.11 N ATOM 737 CA PRO A 51 77.354 -6.412 -8.883 1.00 0.11 C ATOM 738 C PRO A 51 77.468 -7.939 -8.714 1.00 0.12 C ATOM 739 O PRO A 51 78.475 -8.528 -9.047 1.00 0.14 O ATOM 740 CB PRO A 51 76.886 -6.069 -10.313 1.00 0.13 C ATOM 741 CG PRO A 51 78.126 -5.680 -11.058 1.00 0.15 C ATOM 742 CD PRO A 51 79.083 -5.082 -10.027 1.00 0.14 C ATOM 0 HA PRO A 51 76.661 -6.085 -8.108 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.398 -6.924 -10.782 1.00 0.13 H new ATOM 0 HB3 PRO A 51 76.162 -5.254 -10.304 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.573 -6.546 -11.546 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.897 -4.956 -11.840 1.00 0.15 H new ATOM 0 HD2 PRO A 51 80.122 -5.301 -10.273 1.00 0.14 H new ATOM 0 HD3 PRO A 51 78.989 -3.997 -9.977 1.00 0.14 H new ATOM 750 N SER A 52 76.429 -8.573 -8.213 1.00 0.11 N ATOM 751 CA SER A 52 76.450 -10.064 -8.034 1.00 0.12 C ATOM 752 C SER A 52 75.340 -10.489 -7.059 1.00 0.15 C ATOM 753 O SER A 52 75.306 -11.615 -6.607 1.00 0.32 O ATOM 754 CB SER A 52 77.813 -10.512 -7.494 1.00 0.12 C ATOM 755 OG SER A 52 78.675 -10.811 -8.585 1.00 0.29 O ATOM 0 H SER A 52 75.564 -8.119 -7.919 1.00 0.11 H new ATOM 0 HA SER A 52 76.279 -10.537 -9.001 1.00 0.12 H new ATOM 0 HB2 SER A 52 78.248 -9.727 -6.876 1.00 0.12 H new ATOM 0 HB3 SER A 52 77.695 -11.389 -6.858 1.00 0.12 H new ATOM 0 HG SER A 52 78.762 -10.021 -9.159 1.00 0.29 H new ATOM 761 N ASN A 53 74.430 -9.607 -6.743 1.00 0.16 N ATOM 762 CA ASN A 53 73.317 -9.972 -5.815 1.00 0.16 C ATOM 763 C ASN A 53 73.867 -10.405 -4.450 1.00 0.10 C ATOM 764 O ASN A 53 73.702 -11.535 -4.036 1.00 0.12 O ATOM 765 CB ASN A 53 72.494 -11.107 -6.430 1.00 0.23 C ATOM 766 CG ASN A 53 71.159 -11.229 -5.695 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.989 -10.680 -4.624 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.200 -11.935 -6.228 1.00 0.48 N ATOM 0 H ASN A 53 74.408 -8.647 -7.087 1.00 0.16 H new ATOM 0 HA ASN A 53 72.683 -9.098 -5.666 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.321 -10.912 -7.489 1.00 0.23 H new ATOM 0 HB3 ASN A 53 73.044 -12.046 -6.364 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.306 -12.027 -5.746 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.344 -12.395 -7.127 1.00 0.48 H new ATOM 775 N PHE A 54 74.519 -9.518 -3.750 1.00 0.09 N ATOM 776 CA PHE A 54 75.085 -9.881 -2.412 1.00 0.09 C ATOM 777 C PHE A 54 73.972 -10.331 -1.455 1.00 0.09 C ATOM 778 O PHE A 54 74.122 -11.275 -0.702 1.00 0.14 O ATOM 779 CB PHE A 54 75.816 -8.668 -1.808 1.00 0.11 C ATOM 780 CG PHE A 54 74.825 -7.687 -1.204 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.212 -6.712 -2.003 1.00 0.12 C ATOM 782 CD2 PHE A 54 74.528 -7.758 0.166 1.00 0.11 C ATOM 783 CE1 PHE A 54 73.304 -5.808 -1.431 1.00 0.13 C ATOM 784 CE2 PHE A 54 73.621 -6.854 0.736 1.00 0.12 C ATOM 785 CZ PHE A 54 73.009 -5.879 -0.062 1.00 0.12 C ATOM 0 H PHE A 54 74.686 -8.556 -4.044 1.00 0.09 H new ATOM 0 HA PHE A 54 75.786 -10.704 -2.548 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.515 -9.003 -1.042 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.403 -8.170 -2.580 1.00 0.11 H new ATOM 0 HD1 PHE A 54 74.438 -6.657 -3.058 1.00 0.12 H new ATOM 0 HD2 PHE A 54 74.999 -8.510 0.782 1.00 0.11 H new ATOM 0 HE1 PHE A 54 72.832 -5.056 -2.046 1.00 0.13 H new ATOM 0 HE2 PHE A 54 73.394 -6.909 1.790 1.00 0.12 H new ATOM 0 HZ PHE A 54 72.310 -5.182 0.377 1.00 0.12 H new ATOM 795 N ILE A 55 72.865 -9.642 -1.459 1.00 11.77 N ATOM 796 CA ILE A 55 71.760 -10.005 -0.533 1.00 13.68 C ATOM 797 C ILE A 55 71.385 -11.478 -0.714 1.00 0.11 C ATOM 798 O ILE A 55 70.753 -12.074 0.134 1.00 0.12 O ATOM 799 CB ILE A 55 70.563 -9.075 -0.783 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.350 -9.517 0.046 1.00 16.46 C ATOM 801 CG2 ILE A 55 70.187 -9.034 -2.263 1.00 20.33 C ATOM 802 CD1 ILE A 55 69.719 -9.535 1.532 1.00 19.63 C ATOM 0 H ILE A 55 72.679 -8.843 -2.065 1.00 11.77 H new ATOM 0 HA ILE A 55 72.081 -9.876 0.501 1.00 13.68 H new ATOM 0 HB ILE A 55 70.861 -8.073 -0.476 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.515 -8.837 -0.123 1.00 16.46 H new ATOM 0 HG13 ILE A 55 69.023 -10.508 -0.269 1.00 16.46 H new ATOM 0 HG21 ILE A 55 69.337 -8.367 -2.404 1.00 20.33 H new ATOM 0 HG22 ILE A 55 71.034 -8.670 -2.844 1.00 20.33 H new ATOM 0 HG23 ILE A 55 69.921 -10.036 -2.599 1.00 20.33 H new ATOM 0 HD11 ILE A 55 68.855 -9.849 2.118 1.00 19.63 H new ATOM 0 HD12 ILE A 55 70.541 -10.232 1.694 1.00 19.63 H new ATOM 0 HD13 ILE A 55 70.024 -8.536 1.843 1.00 19.63 H new ATOM 814 N GLU A 56 71.786 -12.074 -1.800 1.00 0.13 N ATOM 815 CA GLU A 56 71.466 -13.515 -2.004 1.00 0.15 C ATOM 816 C GLU A 56 72.206 -14.334 -0.942 1.00 0.13 C ATOM 817 O GLU A 56 71.736 -15.372 -0.521 1.00 0.14 O ATOM 818 CB GLU A 56 71.920 -13.965 -3.394 1.00 0.19 C ATOM 819 CG GLU A 56 71.368 -15.363 -3.682 1.00 0.23 C ATOM 820 CD GLU A 56 69.852 -15.281 -3.878 1.00 1.10 C ATOM 821 OE1 GLU A 56 69.368 -14.196 -4.155 1.00 1.62 O ATOM 822 OE2 GLU A 56 69.200 -16.304 -3.743 1.00 1.40 O ATOM 0 H GLU A 56 72.317 -11.632 -2.550 1.00 0.13 H new ATOM 0 HA GLU A 56 70.390 -13.665 -1.919 1.00 0.15 H new ATOM 0 HB2 GLU A 56 71.569 -13.261 -4.149 1.00 0.19 H new ATOM 0 HB3 GLU A 56 73.009 -13.974 -3.448 1.00 0.19 H new ATOM 0 HG2 GLU A 56 71.839 -15.775 -4.574 1.00 0.23 H new ATOM 0 HG3 GLU A 56 71.603 -16.036 -2.857 1.00 0.23 H new ATOM 829 N THR A 57 73.369 -13.886 -0.527 1.00 0.12 N ATOM 830 CA THR A 57 74.156 -14.663 0.498 1.00 0.11 C ATOM 831 C THR A 57 74.382 -13.833 1.767 1.00 0.11 C ATOM 832 O THR A 57 75.251 -14.143 2.559 1.00 0.11 O ATOM 833 CB THR A 57 75.510 -15.065 -0.093 1.00 0.13 C ATOM 834 OG1 THR A 57 76.311 -13.905 -0.264 1.00 0.14 O ATOM 835 CG2 THR A 57 75.301 -15.744 -1.447 1.00 0.18 C ATOM 0 H THR A 57 73.808 -13.023 -0.848 1.00 0.12 H new ATOM 0 HA THR A 57 73.585 -15.552 0.765 1.00 0.11 H new ATOM 0 HB THR A 57 76.009 -15.759 0.584 1.00 0.13 H new ATOM 0 HG1 THR A 57 77.022 -14.091 -0.912 1.00 0.14 H new ATOM 0 HG21 THR A 57 76.267 -16.029 -1.864 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.686 -16.634 -1.316 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.801 -15.054 -2.127 1.00 0.18 H new ATOM 843 N CYS A 58 73.614 -12.793 1.983 1.00 0.10 N ATOM 844 CA CYS A 58 73.791 -11.961 3.222 1.00 0.11 C ATOM 845 C CYS A 58 72.426 -11.712 3.868 1.00 0.10 C ATOM 846 O CYS A 58 71.402 -11.801 3.226 1.00 0.10 O ATOM 847 CB CYS A 58 74.450 -10.630 2.851 1.00 0.11 C ATOM 848 SG CYS A 58 76.089 -10.950 2.146 1.00 0.12 S ATOM 0 H CYS A 58 72.871 -12.482 1.357 1.00 0.10 H new ATOM 0 HA CYS A 58 74.429 -12.488 3.932 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.831 -10.092 2.133 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.538 -9.996 3.733 1.00 0.11 H new ATOM 853 N ARG A 59 72.402 -11.462 5.153 1.00 0.11 N ATOM 854 CA ARG A 59 71.097 -11.258 5.860 1.00 0.11 C ATOM 855 C ARG A 59 71.222 -10.164 6.926 1.00 0.12 C ATOM 856 O ARG A 59 72.286 -9.630 7.172 1.00 0.12 O ATOM 857 CB ARG A 59 70.695 -12.571 6.536 1.00 0.12 C ATOM 858 CG ARG A 59 71.770 -12.977 7.545 1.00 0.15 C ATOM 859 CD ARG A 59 71.502 -14.399 8.038 1.00 0.17 C ATOM 860 NE ARG A 59 72.407 -14.695 9.186 1.00 0.25 N ATOM 861 CZ ARG A 59 72.207 -15.753 9.924 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.238 -16.579 9.636 1.00 0.31 N ATOM 863 NH2 ARG A 59 72.985 -15.989 10.945 1.00 0.39 N ATOM 0 H ARG A 59 73.230 -11.390 5.745 1.00 0.11 H new ATOM 0 HA ARG A 59 70.344 -10.952 5.134 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.735 -12.454 7.039 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.570 -13.354 5.788 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.756 -12.921 7.083 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.773 -12.284 8.387 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.461 -14.501 8.344 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.669 -15.114 7.233 1.00 0.17 H new ATOM 0 HE ARG A 59 73.185 -14.069 9.395 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.636 -16.398 8.833 1.00 0.31 H new ATOM 0 HH12 ARG A 59 71.083 -17.405 10.214 1.00 0.31 H new ATOM 0 HH21 ARG A 59 73.747 -15.347 11.165 1.00 0.39 H new ATOM 0 HH22 ARG A 59 72.831 -16.815 11.523 1.00 0.39 H new ATOM 877 N ASN A 60 70.135 -9.858 7.585 1.00 0.12 N ATOM 878 CA ASN A 60 70.153 -8.833 8.673 1.00 0.13 C ATOM 879 C ASN A 60 70.865 -7.548 8.231 1.00 0.12 C ATOM 880 O ASN A 60 71.707 -7.028 8.937 1.00 0.13 O ATOM 881 CB ASN A 60 70.851 -9.414 9.905 1.00 0.13 C ATOM 882 CG ASN A 60 70.783 -8.410 11.057 1.00 0.18 C ATOM 883 OD1 ASN A 60 70.323 -7.299 10.884 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.232 -8.755 12.232 1.00 1.14 N ATOM 0 H ASN A 60 69.223 -10.280 7.414 1.00 0.12 H new ATOM 0 HA ASN A 60 69.122 -8.574 8.913 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.375 -10.350 10.197 1.00 0.13 H new ATOM 0 HB3 ASN A 60 71.890 -9.644 9.671 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.197 -8.092 13.006 1.00 1.14 H new ATOM 0 HD22 ASN A 60 71.618 -9.688 12.377 1.00 1.14 H new ATOM 891 N THR A 61 70.514 -7.004 7.096 1.00 0.12 N ATOM 892 CA THR A 61 71.158 -5.727 6.671 1.00 0.12 C ATOM 893 C THR A 61 70.550 -4.580 7.488 1.00 0.11 C ATOM 894 O THR A 61 69.347 -4.485 7.630 1.00 0.11 O ATOM 895 CB THR A 61 70.899 -5.466 5.184 1.00 0.14 C ATOM 896 OG1 THR A 61 69.503 -5.511 4.930 1.00 0.22 O ATOM 897 CG2 THR A 61 71.612 -6.512 4.325 1.00 0.24 C ATOM 0 H THR A 61 69.819 -7.382 6.452 1.00 0.12 H new ATOM 0 HA THR A 61 72.233 -5.794 6.836 1.00 0.12 H new ATOM 0 HB THR A 61 71.287 -4.480 4.928 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.305 -5.024 4.103 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.417 -6.312 3.271 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.685 -6.465 4.511 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.242 -7.505 4.580 1.00 0.24 H new ATOM 905 N GLN A 62 71.364 -3.710 8.034 1.00 9.83 N ATOM 906 CA GLN A 62 70.818 -2.577 8.850 1.00 11.89 C ATOM 907 C GLN A 62 71.730 -1.352 8.704 1.00 11.16 C ATOM 908 O GLN A 62 72.848 -1.456 8.236 1.00 9.58 O ATOM 909 CB GLN A 62 70.764 -3.014 10.324 1.00 13.81 C ATOM 910 CG GLN A 62 69.809 -2.112 11.117 1.00 19.41 C ATOM 911 CD GLN A 62 68.367 -2.366 10.673 1.00 22.33 C ATOM 912 OE1 GLN A 62 67.825 -3.430 10.904 1.00 28.20 O ATOM 913 NE2 GLN A 62 67.714 -1.425 10.048 1.00 24.17 N ATOM 0 H GLN A 62 72.380 -3.734 7.951 1.00 9.83 H new ATOM 0 HA GLN A 62 69.818 -2.316 8.505 1.00 11.89 H new ATOM 0 HB2 GLN A 62 70.434 -4.051 10.390 1.00 13.81 H new ATOM 0 HB3 GLN A 62 71.762 -2.969 10.760 1.00 13.81 H new ATOM 0 HG2 GLN A 62 69.911 -2.309 12.184 1.00 19.41 H new ATOM 0 HG3 GLN A 62 70.068 -1.065 10.960 1.00 19.41 H new ATOM 0 HE21 GLN A 62 68.167 -0.532 9.854 1.00 24.17 H new ATOM 0 HE22 GLN A 62 66.750 -1.582 9.754 1.00 24.17 H new ATOM 922 N LEU A 63 71.266 -0.193 9.093 1.00 0.12 N ATOM 923 CA LEU A 63 72.111 1.032 8.971 1.00 0.13 C ATOM 924 C LEU A 63 73.018 1.145 10.197 1.00 0.13 C ATOM 925 O LEU A 63 72.567 1.113 11.325 1.00 0.14 O ATOM 926 CB LEU A 63 71.197 2.270 8.874 1.00 0.15 C ATOM 927 CG LEU A 63 72.022 3.565 8.743 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.682 3.643 7.362 1.00 0.18 C ATOM 929 CD2 LEU A 63 71.092 4.768 8.923 1.00 0.21 C ATOM 0 H LEU A 63 70.339 -0.042 9.490 1.00 0.12 H new ATOM 0 HA LEU A 63 72.729 0.970 8.075 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.535 2.169 8.014 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.564 2.328 9.759 1.00 0.15 H new ATOM 0 HG LEU A 63 72.800 3.569 9.506 1.00 0.18 H new ATOM 0 HD11 LEU A 63 73.261 4.564 7.287 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.343 2.787 7.226 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.913 3.634 6.590 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.667 5.689 8.832 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.317 4.747 8.157 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.629 4.725 9.909 1.00 0.21 H new ATOM 941 N ALA A 64 74.300 1.288 9.971 1.00 0.12 N ATOM 942 CA ALA A 64 75.275 1.417 11.098 1.00 0.14 C ATOM 943 C ALA A 64 75.981 2.769 10.986 1.00 0.14 C ATOM 944 O ALA A 64 76.489 3.128 9.945 1.00 0.15 O ATOM 945 CB ALA A 64 76.321 0.305 10.989 1.00 0.14 C ATOM 0 H ALA A 64 74.718 1.321 9.041 1.00 0.12 H new ATOM 0 HA ALA A 64 74.751 1.341 12.051 1.00 0.14 H new ATOM 0 HB1 ALA A 64 77.034 0.395 11.808 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.827 -0.665 11.042 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.847 0.393 10.039 1.00 0.14 H new ATOM 951 N GLY A 65 76.028 3.517 12.051 1.00 0.16 N ATOM 952 CA GLY A 65 76.722 4.836 12.002 1.00 0.17 C ATOM 953 C GLY A 65 76.010 5.782 11.032 1.00 0.17 C ATOM 954 O GLY A 65 74.818 5.692 10.815 1.00 0.17 O ATOM 0 H GLY A 65 75.617 3.274 12.953 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.746 5.278 12.998 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.757 4.697 11.690 1.00 0.17 H new ATOM 958 N SER A 66 76.742 6.700 10.458 1.00 0.18 N ATOM 959 CA SER A 66 76.135 7.678 9.509 1.00 0.18 C ATOM 960 C SER A 66 76.158 7.141 8.074 1.00 0.17 C ATOM 961 O SER A 66 75.238 7.374 7.313 1.00 0.16 O ATOM 962 CB SER A 66 76.933 8.981 9.560 1.00 0.21 C ATOM 963 OG SER A 66 76.824 9.544 10.861 1.00 1.19 O ATOM 0 H SER A 66 77.744 6.815 10.608 1.00 0.18 H new ATOM 0 HA SER A 66 75.099 7.847 9.802 1.00 0.18 H new ATOM 0 HB2 SER A 66 77.979 8.791 9.319 1.00 0.21 H new ATOM 0 HB3 SER A 66 76.557 9.682 8.815 1.00 0.21 H new ATOM 0 HG SER A 66 77.335 10.379 10.900 1.00 1.19 H new ATOM 969 N SER A 67 77.214 6.466 7.679 1.00 0.17 N ATOM 970 CA SER A 67 77.301 5.968 6.265 1.00 0.17 C ATOM 971 C SER A 67 77.755 4.508 6.192 1.00 0.16 C ATOM 972 O SER A 67 78.072 4.023 5.125 1.00 0.17 O ATOM 973 CB SER A 67 78.332 6.810 5.522 1.00 0.19 C ATOM 974 OG SER A 67 79.621 6.570 6.073 1.00 0.20 O ATOM 0 H SER A 67 78.014 6.239 8.269 1.00 0.17 H new ATOM 0 HA SER A 67 76.307 6.044 5.823 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.325 6.561 4.461 1.00 0.19 H new ATOM 0 HB3 SER A 67 78.081 7.868 5.602 1.00 0.19 H new ATOM 0 HG SER A 67 80.218 7.312 5.843 1.00 0.20 H new ATOM 980 N GLU A 68 77.831 3.799 7.292 1.00 0.15 N ATOM 981 CA GLU A 68 78.312 2.384 7.233 1.00 0.15 C ATOM 982 C GLU A 68 77.137 1.405 7.220 1.00 0.13 C ATOM 983 O GLU A 68 76.231 1.486 8.025 1.00 0.13 O ATOM 984 CB GLU A 68 79.172 2.107 8.467 1.00 0.16 C ATOM 985 CG GLU A 68 80.482 2.890 8.369 1.00 0.22 C ATOM 986 CD GLU A 68 81.335 2.607 9.609 1.00 1.15 C ATOM 987 OE1 GLU A 68 80.817 1.999 10.533 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.489 3.002 9.612 1.00 1.37 O ATOM 0 H GLU A 68 77.583 4.136 8.222 1.00 0.15 H new ATOM 0 HA GLU A 68 78.888 2.248 6.318 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.633 2.394 9.370 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.380 1.040 8.545 1.00 0.16 H new ATOM 0 HG2 GLU A 68 81.024 2.603 7.468 1.00 0.22 H new ATOM 0 HG3 GLU A 68 80.276 3.958 8.291 1.00 0.22 H new ATOM 995 N LEU A 69 77.175 0.456 6.321 1.00 0.13 N ATOM 996 CA LEU A 69 76.102 -0.580 6.240 1.00 0.12 C ATOM 997 C LEU A 69 76.662 -1.871 6.842 1.00 0.13 C ATOM 998 O LEU A 69 77.660 -2.399 6.391 1.00 0.14 O ATOM 999 CB LEU A 69 75.706 -0.769 4.762 1.00 0.14 C ATOM 1000 CG LEU A 69 75.024 -2.128 4.517 1.00 0.14 C ATOM 1001 CD1 LEU A 69 73.903 -2.385 5.546 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.432 -2.121 3.102 1.00 0.18 C ATOM 0 H LEU A 69 77.917 0.354 5.628 1.00 0.13 H new ATOM 0 HA LEU A 69 75.209 -0.286 6.792 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.033 0.034 4.461 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.595 -0.691 4.136 1.00 0.14 H new ATOM 0 HG LEU A 69 75.762 -2.923 4.624 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.441 -3.352 5.347 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.325 -2.385 6.551 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.151 -1.600 5.468 1.00 0.15 H new ATOM 0 HD21 LEU A 69 73.943 -3.076 2.907 1.00 0.18 H new ATOM 0 HD22 LEU A 69 73.702 -1.316 3.017 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.229 -1.966 2.375 1.00 0.18 H new ATOM 1014 N ALA A 70 76.038 -2.362 7.884 1.00 0.12 N ATOM 1015 CA ALA A 70 76.532 -3.603 8.558 1.00 0.12 C ATOM 1016 C ALA A 70 75.649 -4.782 8.153 1.00 0.12 C ATOM 1017 O ALA A 70 74.445 -4.665 8.038 1.00 0.13 O ATOM 1018 CB ALA A 70 76.457 -3.386 10.071 1.00 0.15 C ATOM 0 H ALA A 70 75.201 -1.953 8.300 1.00 0.12 H new ATOM 0 HA ALA A 70 77.560 -3.817 8.265 1.00 0.12 H new ATOM 0 HB1 ALA A 70 76.813 -4.279 10.585 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.080 -2.536 10.348 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.425 -3.188 10.359 1.00 0.15 H new ATOM 1024 N ALA A 71 76.245 -5.918 7.935 1.00 0.12 N ATOM 1025 CA ALA A 71 75.462 -7.117 7.533 1.00 0.13 C ATOM 1026 C ALA A 71 76.255 -8.378 7.877 1.00 0.13 C ATOM 1027 O ALA A 71 77.421 -8.319 8.219 1.00 0.14 O ATOM 1028 CB ALA A 71 75.247 -7.134 6.019 1.00 0.15 C ATOM 0 H ALA A 71 77.250 -6.069 8.019 1.00 0.12 H new ATOM 0 HA ALA A 71 74.506 -7.085 8.056 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.672 -8.018 5.743 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.702 -6.239 5.719 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.213 -7.157 5.515 1.00 0.15 H new ATOM 1034 N GLU A 72 75.634 -9.526 7.736 1.00 0.13 N ATOM 1035 CA GLU A 72 76.334 -10.824 7.987 1.00 0.12 C ATOM 1036 C GLU A 72 76.378 -11.553 6.645 1.00 0.12 C ATOM 1037 O GLU A 72 75.384 -11.609 5.947 1.00 0.11 O ATOM 1038 CB GLU A 72 75.549 -11.656 9.010 1.00 0.14 C ATOM 1039 CG GLU A 72 75.498 -10.913 10.347 1.00 0.18 C ATOM 1040 CD GLU A 72 74.668 -11.720 11.347 1.00 0.20 C ATOM 1041 OE1 GLU A 72 75.046 -12.845 11.632 1.00 0.29 O ATOM 1042 OE2 GLU A 72 73.666 -11.200 11.811 1.00 0.36 O ATOM 0 H GLU A 72 74.658 -9.618 7.454 1.00 0.13 H new ATOM 0 HA GLU A 72 77.335 -10.664 8.387 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.538 -11.839 8.646 1.00 0.14 H new ATOM 0 HB3 GLU A 72 76.022 -12.629 9.141 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.507 -10.765 10.732 1.00 0.18 H new ATOM 0 HG3 GLU A 72 75.061 -9.924 10.209 1.00 0.18 H new ATOM 1049 N CYS A 73 77.511 -12.090 6.251 1.00 0.12 N ATOM 1050 CA CYS A 73 77.590 -12.779 4.917 1.00 0.12 C ATOM 1051 C CYS A 73 78.292 -14.130 5.026 1.00 0.12 C ATOM 1052 O CYS A 73 79.127 -14.354 5.880 1.00 0.13 O ATOM 1053 CB CYS A 73 78.356 -11.889 3.938 1.00 0.13 C ATOM 1054 SG CYS A 73 77.381 -10.398 3.602 1.00 0.14 S ATOM 0 H CYS A 73 78.378 -12.082 6.789 1.00 0.12 H new ATOM 0 HA CYS A 73 76.574 -12.953 4.561 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.325 -11.618 4.356 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.549 -12.429 3.011 1.00 0.13 H new ATOM 1059 N LYS A 74 77.926 -15.037 4.165 1.00 0.13 N ATOM 1060 CA LYS A 74 78.541 -16.391 4.202 1.00 0.13 C ATOM 1061 C LYS A 74 79.968 -16.380 3.667 1.00 0.13 C ATOM 1062 O LYS A 74 80.259 -15.871 2.603 1.00 0.13 O ATOM 1063 CB LYS A 74 77.724 -17.375 3.356 1.00 0.16 C ATOM 1064 CG LYS A 74 76.392 -17.650 4.048 1.00 0.20 C ATOM 1065 CD LYS A 74 75.593 -18.708 3.274 1.00 0.22 C ATOM 1066 CE LYS A 74 76.098 -20.118 3.620 1.00 0.30 C ATOM 1067 NZ LYS A 74 75.151 -21.130 3.071 1.00 0.38 N ATOM 0 H LYS A 74 77.226 -14.898 3.436 1.00 0.13 H new ATOM 0 HA LYS A 74 78.552 -16.702 5.247 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.552 -16.962 2.362 1.00 0.16 H new ATOM 0 HB3 LYS A 74 78.277 -18.305 3.224 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.569 -17.993 5.067 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.814 -16.728 4.118 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.534 -18.624 3.518 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.688 -18.533 2.202 1.00 0.22 H new ATOM 0 HE2 LYS A 74 77.094 -20.272 3.204 1.00 0.30 H new ATOM 0 HE3 LYS A 74 76.183 -20.231 4.701 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 75.686 -21.939 2.697 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 74.515 -21.456 3.826 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.591 -20.702 2.307 1.00 0.38 H new ATOM 1081 N THR A 75 80.840 -17.010 4.394 1.00 0.13 N ATOM 1082 CA THR A 75 82.253 -17.134 3.958 1.00 0.14 C ATOM 1083 C THR A 75 82.351 -18.414 3.144 1.00 0.15 C ATOM 1084 O THR A 75 81.416 -19.186 3.081 1.00 0.15 O ATOM 1085 CB THR A 75 83.184 -17.244 5.169 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.981 -18.499 5.803 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.904 -16.122 6.171 1.00 0.23 C ATOM 0 H THR A 75 80.630 -17.453 5.289 1.00 0.13 H new ATOM 0 HA THR A 75 82.548 -16.259 3.379 1.00 0.14 H new ATOM 0 HB THR A 75 84.215 -17.158 4.826 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.576 -18.574 6.578 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.576 -16.219 7.023 1.00 0.23 H new ATOM 0 HG22 THR A 75 83.064 -15.157 5.691 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.872 -16.190 6.514 1.00 0.23 H new ATOM 1095 N ARG A 76 83.458 -18.665 2.524 1.00 0.17 N ATOM 1096 CA ARG A 76 83.562 -19.916 1.734 1.00 0.19 C ATOM 1097 C ARG A 76 83.308 -21.107 2.656 1.00 0.18 C ATOM 1098 O ARG A 76 82.967 -22.180 2.198 1.00 0.19 O ATOM 1099 CB ARG A 76 84.952 -20.042 1.103 1.00 0.22 C ATOM 1100 CG ARG A 76 85.115 -19.000 -0.005 1.00 0.25 C ATOM 1101 CD ARG A 76 86.499 -19.150 -0.643 1.00 0.35 C ATOM 1102 NE ARG A 76 86.608 -20.508 -1.249 1.00 1.36 N ATOM 1103 CZ ARG A 76 87.586 -20.786 -2.067 1.00 1.94 C ATOM 1104 NH1 ARG A 76 88.492 -19.886 -2.332 1.00 2.11 N ATOM 1105 NH2 ARG A 76 87.659 -21.968 -2.616 1.00 2.94 N ATOM 0 H ARG A 76 84.287 -18.070 2.527 1.00 0.17 H new ATOM 0 HA ARG A 76 82.821 -19.896 0.935 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.720 -19.901 1.863 1.00 0.22 H new ATOM 0 HB3 ARG A 76 85.087 -21.044 0.695 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.339 -19.130 -0.759 1.00 0.25 H new ATOM 0 HG3 ARG A 76 84.997 -17.996 0.404 1.00 0.25 H new ATOM 0 HD2 ARG A 76 86.648 -18.385 -1.405 1.00 0.35 H new ATOM 0 HD3 ARG A 76 87.277 -19.009 0.107 1.00 0.35 H new ATOM 0 HE ARG A 76 85.916 -21.222 -1.023 1.00 1.36 H new ATOM 0 HH11 ARG A 76 88.437 -18.964 -1.900 1.00 2.11 H new ATOM 0 HH12 ARG A 76 89.256 -20.104 -2.972 1.00 2.11 H new ATOM 0 HH21 ARG A 76 86.952 -22.673 -2.405 1.00 2.94 H new ATOM 0 HH22 ARG A 76 88.423 -22.187 -3.256 1.00 2.94 H new ATOM 1119 N ALA A 77 83.501 -20.960 3.949 1.00 0.17 N ATOM 1120 CA ALA A 77 83.298 -22.132 4.860 1.00 0.17 C ATOM 1121 C ALA A 77 81.834 -22.246 5.313 1.00 0.17 C ATOM 1122 O ALA A 77 81.530 -23.008 6.206 1.00 0.17 O ATOM 1123 CB ALA A 77 84.214 -22.006 6.078 1.00 0.17 C ATOM 0 H ALA A 77 83.786 -20.093 4.405 1.00 0.17 H new ATOM 0 HA ALA A 77 83.548 -23.037 4.307 1.00 0.17 H new ATOM 0 HB1 ALA A 77 84.062 -22.861 6.737 1.00 0.17 H new ATOM 0 HB2 ALA A 77 85.253 -21.980 5.751 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.980 -21.087 6.616 1.00 0.17 H new ATOM 1129 N GLN A 78 80.925 -21.503 4.717 1.00 0.17 N ATOM 1130 CA GLN A 78 79.471 -21.563 5.101 1.00 0.18 C ATOM 1131 C GLN A 78 79.237 -21.074 6.540 1.00 0.18 C ATOM 1132 O GLN A 78 78.353 -21.555 7.220 1.00 0.20 O ATOM 1133 CB GLN A 78 78.933 -22.991 4.948 1.00 0.20 C ATOM 1134 CG GLN A 78 79.142 -23.462 3.507 1.00 0.31 C ATOM 1135 CD GLN A 78 78.302 -22.612 2.548 1.00 0.59 C ATOM 1136 OE1 GLN A 78 77.095 -22.527 2.682 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.895 -21.971 1.578 1.00 0.41 N ATOM 0 H GLN A 78 81.133 -20.845 3.966 1.00 0.17 H new ATOM 0 HA GLN A 78 78.933 -20.897 4.426 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.446 -23.660 5.639 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.873 -23.021 5.202 1.00 0.20 H new ATOM 0 HG2 GLN A 78 80.197 -23.389 3.242 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.862 -24.512 3.415 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.906 -22.041 1.464 1.00 0.41 H new ATOM 0 HE22 GLN A 78 78.347 -21.400 0.934 1.00 0.41 H new ATOM 1146 N GLN A 79 79.998 -20.108 6.998 1.00 0.17 N ATOM 1147 CA GLN A 79 79.808 -19.561 8.388 1.00 0.19 C ATOM 1148 C GLN A 79 79.449 -18.071 8.293 1.00 0.17 C ATOM 1149 O GLN A 79 80.181 -17.296 7.716 1.00 0.21 O ATOM 1150 CB GLN A 79 81.118 -19.719 9.168 1.00 0.22 C ATOM 1151 CG GLN A 79 80.957 -19.172 10.591 1.00 1.18 C ATOM 1152 CD GLN A 79 82.276 -19.340 11.352 1.00 1.51 C ATOM 1153 OE1 GLN A 79 83.318 -18.923 10.888 1.00 1.87 O ATOM 1154 NE2 GLN A 79 82.273 -19.940 12.511 1.00 2.23 N ATOM 0 H GLN A 79 80.750 -19.669 6.467 1.00 0.17 H new ATOM 0 HA GLN A 79 79.009 -20.100 8.897 1.00 0.19 H new ATOM 0 HB2 GLN A 79 81.403 -20.770 9.205 1.00 0.22 H new ATOM 0 HB3 GLN A 79 81.921 -19.189 8.656 1.00 0.22 H new ATOM 0 HG2 GLN A 79 80.675 -18.120 10.558 1.00 1.18 H new ATOM 0 HG3 GLN A 79 80.156 -19.701 11.108 1.00 1.18 H new ATOM 0 HE21 GLN A 79 81.398 -20.291 12.902 1.00 2.23 H new ATOM 0 HE22 GLN A 79 83.145 -20.058 13.026 1.00 2.23 H new ATOM 1163 N PHE A 80 78.340 -17.648 8.861 1.00 0.15 N ATOM 1164 CA PHE A 80 77.984 -16.192 8.776 1.00 0.14 C ATOM 1165 C PHE A 80 78.912 -15.381 9.692 1.00 0.13 C ATOM 1166 O PHE A 80 79.008 -15.656 10.873 1.00 0.14 O ATOM 1167 CB PHE A 80 76.530 -15.955 9.239 1.00 0.16 C ATOM 1168 CG PHE A 80 75.534 -16.276 8.147 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.338 -15.369 7.099 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.779 -17.455 8.202 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.393 -15.639 6.103 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.828 -17.725 7.208 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.637 -16.817 6.159 1.00 0.31 C ATOM 0 H PHE A 80 77.678 -18.235 9.370 1.00 0.15 H new ATOM 0 HA PHE A 80 78.093 -15.878 7.738 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.322 -16.571 10.114 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.411 -14.916 9.546 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.918 -14.459 7.059 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.930 -18.156 9.010 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.247 -14.940 5.292 1.00 0.28 H new ATOM 0 HE2 PHE A 80 73.243 -18.632 7.251 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.906 -17.025 5.392 1.00 0.31 H new ATOM 1183 N VAL A 81 79.581 -14.378 9.166 1.00 0.12 N ATOM 1184 CA VAL A 81 80.494 -13.537 10.019 1.00 0.12 C ATOM 1185 C VAL A 81 80.135 -12.063 9.845 1.00 0.12 C ATOM 1186 O VAL A 81 79.465 -11.684 8.905 1.00 0.12 O ATOM 1187 CB VAL A 81 81.955 -13.796 9.632 1.00 0.14 C ATOM 1188 CG1 VAL A 81 82.140 -15.295 9.408 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.339 -13.115 8.314 1.00 0.16 C ATOM 0 H VAL A 81 79.536 -14.104 8.185 1.00 0.12 H new ATOM 0 HA VAL A 81 80.369 -13.805 11.068 1.00 0.12 H new ATOM 0 HB VAL A 81 82.575 -13.403 10.437 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.175 -15.497 9.132 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.898 -15.832 10.325 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.479 -15.627 8.607 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.383 -13.329 8.085 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.706 -13.493 7.511 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.202 -12.038 8.408 1.00 0.16 H new ATOM 1199 N SER A 82 80.549 -11.229 10.758 1.00 0.15 N ATOM 1200 CA SER A 82 80.205 -9.783 10.660 1.00 0.15 C ATOM 1201 C SER A 82 80.980 -9.103 9.528 1.00 0.16 C ATOM 1202 O SER A 82 82.182 -9.245 9.410 1.00 0.25 O ATOM 1203 CB SER A 82 80.535 -9.096 11.986 1.00 0.23 C ATOM 1204 OG SER A 82 80.207 -7.716 11.895 1.00 0.26 O ATOM 0 H SER A 82 81.111 -11.487 11.569 1.00 0.15 H new ATOM 0 HA SER A 82 79.140 -9.696 10.444 1.00 0.15 H new ATOM 0 HB2 SER A 82 79.977 -9.561 12.798 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.594 -9.215 12.217 1.00 0.23 H new ATOM 0 HG SER A 82 80.416 -7.273 12.744 1.00 0.26 H new ATOM 1210 N THR A 83 80.297 -8.346 8.706 1.00 0.12 N ATOM 1211 CA THR A 83 80.973 -7.628 7.580 1.00 0.17 C ATOM 1212 C THR A 83 80.390 -6.216 7.466 1.00 0.12 C ATOM 1213 O THR A 83 79.290 -5.947 7.909 1.00 0.11 O ATOM 1214 CB THR A 83 80.762 -8.400 6.270 1.00 0.27 C ATOM 1215 OG1 THR A 83 81.383 -7.697 5.204 1.00 0.31 O ATOM 1216 CG2 THR A 83 79.267 -8.572 5.976 1.00 0.29 C ATOM 0 H THR A 83 79.290 -8.193 8.767 1.00 0.12 H new ATOM 0 HA THR A 83 82.044 -7.561 7.774 1.00 0.17 H new ATOM 0 HB THR A 83 81.209 -9.389 6.370 1.00 0.27 H new ATOM 0 HG1 THR A 83 80.706 -7.190 4.708 1.00 0.31 H new ATOM 0 HG21 THR A 83 79.140 -9.122 5.043 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.797 -9.125 6.790 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.799 -7.592 5.886 1.00 0.29 H new ATOM 1224 N LYS A 84 81.122 -5.314 6.870 1.00 0.12 N ATOM 1225 CA LYS A 84 80.611 -3.921 6.727 1.00 0.14 C ATOM 1226 C LYS A 84 81.286 -3.237 5.533 1.00 0.13 C ATOM 1227 O LYS A 84 82.337 -3.635 5.072 1.00 0.15 O ATOM 1228 CB LYS A 84 80.901 -3.139 8.011 1.00 0.25 C ATOM 1229 CG LYS A 84 82.409 -3.089 8.266 1.00 0.34 C ATOM 1230 CD LYS A 84 82.674 -2.353 9.581 1.00 0.48 C ATOM 1231 CE LYS A 84 84.179 -2.281 9.833 1.00 1.17 C ATOM 1232 NZ LYS A 84 84.436 -1.489 11.069 1.00 1.98 N ATOM 0 H LYS A 84 82.048 -5.481 6.477 1.00 0.12 H new ATOM 0 HA LYS A 84 79.535 -3.946 6.555 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.505 -2.127 7.927 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.397 -3.610 8.855 1.00 0.25 H new ATOM 0 HG2 LYS A 84 82.815 -4.099 8.313 1.00 0.34 H new ATOM 0 HG3 LYS A 84 82.912 -2.581 7.443 1.00 0.34 H new ATOM 0 HD2 LYS A 84 82.254 -1.348 9.538 1.00 0.48 H new ATOM 0 HD3 LYS A 84 82.181 -2.870 10.405 1.00 0.48 H new ATOM 0 HE2 LYS A 84 84.590 -3.285 9.939 1.00 1.17 H new ATOM 0 HE3 LYS A 84 84.680 -1.820 8.982 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 85.460 -1.439 11.242 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 84.057 -0.528 10.950 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 83.970 -1.947 11.878 1.00 1.98 H new ATOM 1246 N ILE A 85 80.663 -2.201 5.038 1.00 0.13 N ATOM 1247 CA ILE A 85 81.204 -1.446 3.871 1.00 0.13 C ATOM 1248 C ILE A 85 80.839 0.035 4.020 1.00 0.13 C ATOM 1249 O ILE A 85 79.813 0.385 4.571 1.00 0.13 O ATOM 1250 CB ILE A 85 80.595 -2.000 2.577 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.245 -1.312 1.372 1.00 0.17 C ATOM 1252 CG2 ILE A 85 79.089 -1.740 2.558 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.595 -1.818 0.082 1.00 0.20 C ATOM 0 H ILE A 85 79.782 -1.839 5.402 1.00 0.13 H new ATOM 0 HA ILE A 85 82.288 -1.553 3.832 1.00 0.13 H new ATOM 0 HB ILE A 85 80.775 -3.074 2.528 1.00 0.14 H new ATOM 0 HG12 ILE A 85 81.128 -0.231 1.451 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.315 -1.517 1.357 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.663 -2.136 1.636 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.624 -2.231 3.413 1.00 0.16 H new ATOM 0 HG23 ILE A 85 78.904 -0.667 2.611 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.058 -1.328 -0.775 1.00 0.20 H new ATOM 0 HD12 ILE A 85 80.735 -2.896 0.003 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.529 -1.590 0.098 1.00 0.20 H new ATOM 1265 N ASN A 86 81.680 0.906 3.530 1.00 0.13 N ATOM 1266 CA ASN A 86 81.400 2.372 3.636 1.00 0.14 C ATOM 1267 C ASN A 86 80.557 2.826 2.436 1.00 0.13 C ATOM 1268 O ASN A 86 81.024 2.837 1.318 1.00 0.13 O ATOM 1269 CB ASN A 86 82.727 3.137 3.641 1.00 0.15 C ATOM 1270 CG ASN A 86 82.490 4.576 4.110 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.373 5.056 4.101 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.503 5.290 4.523 1.00 0.23 N ATOM 0 H ASN A 86 82.552 0.667 3.059 1.00 0.13 H new ATOM 0 HA ASN A 86 80.853 2.572 4.557 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.441 2.642 4.300 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.162 3.137 2.642 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.356 6.249 4.838 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.441 4.888 4.531 1.00 0.23 H new ATOM 1279 N LEU A 87 79.332 3.223 2.661 1.00 0.13 N ATOM 1280 CA LEU A 87 78.468 3.700 1.532 1.00 0.13 C ATOM 1281 C LEU A 87 79.018 5.021 0.984 1.00 0.13 C ATOM 1282 O LEU A 87 78.699 5.419 -0.119 1.00 0.13 O ATOM 1283 CB LEU A 87 77.038 3.950 2.030 1.00 0.14 C ATOM 1284 CG LEU A 87 76.474 2.704 2.713 1.00 0.15 C ATOM 1285 CD1 LEU A 87 74.992 2.938 3.015 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.623 1.486 1.798 1.00 0.21 C ATOM 0 H LEU A 87 78.888 3.239 3.579 1.00 0.13 H new ATOM 0 HA LEU A 87 78.464 2.936 0.754 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.033 4.787 2.729 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.400 4.231 1.192 1.00 0.14 H new ATOM 0 HG LEU A 87 77.021 2.516 3.637 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.576 2.056 3.503 1.00 0.18 H new ATOM 0 HD12 LEU A 87 74.887 3.800 3.673 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.456 3.124 2.084 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.218 0.605 2.296 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.080 1.660 0.869 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.678 1.324 1.576 1.00 0.21 H new ATOM 1298 N ASP A 88 79.801 5.726 1.746 1.00 0.14 N ATOM 1299 CA ASP A 88 80.321 7.039 1.263 1.00 0.15 C ATOM 1300 C ASP A 88 81.322 6.870 0.111 1.00 0.15 C ATOM 1301 O ASP A 88 81.705 7.834 -0.514 1.00 0.15 O ATOM 1302 CB ASP A 88 81.021 7.765 2.415 1.00 0.17 C ATOM 1303 CG ASP A 88 79.986 8.225 3.443 1.00 0.18 C ATOM 1304 OD1 ASP A 88 78.828 8.347 3.076 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.369 8.446 4.580 1.00 0.22 O ATOM 0 H ASP A 88 80.105 5.454 2.681 1.00 0.14 H new ATOM 0 HA ASP A 88 79.471 7.615 0.899 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.746 7.102 2.887 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.574 8.623 2.033 1.00 0.17 H new ATOM 1310 N ASP A 89 81.808 5.685 -0.149 1.00 0.16 N ATOM 1311 CA ASP A 89 82.831 5.509 -1.230 1.00 0.17 C ATOM 1312 C ASP A 89 82.310 5.878 -2.625 1.00 0.16 C ATOM 1313 O ASP A 89 83.050 6.400 -3.434 1.00 0.16 O ATOM 1314 CB ASP A 89 83.259 4.045 -1.292 1.00 0.20 C ATOM 1315 CG ASP A 89 83.951 3.650 0.015 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.400 4.539 0.719 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.021 2.462 0.288 1.00 0.26 O ATOM 0 H ASP A 89 81.543 4.829 0.339 1.00 0.16 H new ATOM 0 HA ASP A 89 83.655 6.176 -0.976 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.390 3.409 -1.460 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.935 3.890 -2.133 1.00 0.20 H new ATOM 1322 N HIS A 90 81.085 5.534 -2.959 1.00 0.16 N ATOM 1323 CA HIS A 90 80.593 5.808 -4.355 1.00 0.17 C ATOM 1324 C HIS A 90 79.143 6.305 -4.377 1.00 0.16 C ATOM 1325 O HIS A 90 78.656 6.740 -5.403 1.00 0.17 O ATOM 1326 CB HIS A 90 80.709 4.504 -5.150 1.00 0.21 C ATOM 1327 CG HIS A 90 82.157 4.097 -5.184 1.00 0.22 C ATOM 1328 ND1 HIS A 90 82.868 3.142 -4.490 1.00 0.26 N flip ATOM 1329 CD2 HIS A 90 83.081 4.739 -5.997 1.00 0.25 C flip ATOM 1330 CE1 HIS A 90 84.206 3.197 -4.870 1.00 0.29 C flip ATOM 1331 NE2 HIS A 90 84.282 4.176 -5.776 1.00 0.28 N flip ATOM 0 H HIS A 90 80.413 5.083 -2.338 1.00 0.16 H new ATOM 0 HA HIS A 90 81.200 6.600 -4.795 1.00 0.17 H new ATOM 0 HB2 HIS A 90 80.106 3.723 -4.687 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.330 4.642 -6.163 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.475 2.496 -3.805 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.873 5.546 -6.684 1.00 0.25 H new ATOM 0 HE1 HIS A 90 85.014 2.578 -4.508 1.00 0.29 H new ATOM 1339 N ILE A 91 78.442 6.257 -3.280 1.00 0.15 N ATOM 1340 CA ILE A 91 77.028 6.745 -3.293 1.00 0.14 C ATOM 1341 C ILE A 91 77.029 8.260 -3.109 1.00 0.14 C ATOM 1342 O ILE A 91 77.372 8.764 -2.058 1.00 0.15 O ATOM 1343 CB ILE A 91 76.242 6.087 -2.152 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.141 4.557 -2.375 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.841 6.706 -2.079 1.00 0.17 C ATOM 1346 CD1 ILE A 91 75.012 4.220 -3.370 1.00 0.17 C ATOM 0 H ILE A 91 78.778 5.906 -2.383 1.00 0.15 H new ATOM 0 HA ILE A 91 76.557 6.487 -4.242 1.00 0.14 H new ATOM 0 HB ILE A 91 76.764 6.260 -1.211 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.090 4.177 -2.753 1.00 0.16 H new ATOM 0 HG13 ILE A 91 75.954 4.058 -1.424 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.279 6.241 -1.269 1.00 0.17 H new ATOM 0 HG22 ILE A 91 74.926 7.777 -1.894 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.321 6.541 -3.023 1.00 0.17 H new ATOM 0 HD11 ILE A 91 74.961 3.140 -3.510 1.00 0.17 H new ATOM 0 HD12 ILE A 91 74.061 4.580 -2.977 1.00 0.17 H new ATOM 0 HD13 ILE A 91 75.215 4.701 -4.327 1.00 0.17 H new ATOM 1358 N ALA A 92 76.654 8.990 -4.137 1.00 0.15 N ATOM 1359 CA ALA A 92 76.643 10.490 -4.035 1.00 0.16 C ATOM 1360 C ALA A 92 75.231 11.041 -4.224 1.00 0.16 C ATOM 1361 O ALA A 92 74.335 10.361 -4.680 1.00 0.15 O ATOM 1362 CB ALA A 92 77.519 11.116 -5.123 1.00 0.17 C ATOM 0 H ALA A 92 76.357 8.615 -5.038 1.00 0.15 H new ATOM 0 HA ALA A 92 77.022 10.740 -3.044 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.495 12.202 -5.029 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.545 10.764 -5.011 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.142 10.828 -6.104 1.00 0.17 H new ATOM 1368 N ASN A 93 75.052 12.297 -3.904 1.00 0.17 N ATOM 1369 CA ASN A 93 73.729 12.968 -4.078 1.00 0.18 C ATOM 1370 C ASN A 93 73.871 13.964 -5.227 1.00 0.18 C ATOM 1371 O ASN A 93 74.583 14.944 -5.115 1.00 0.19 O ATOM 1372 CB ASN A 93 73.360 13.716 -2.792 1.00 0.20 C ATOM 1373 CG ASN A 93 72.110 14.568 -3.031 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.176 14.133 -3.677 1.00 0.34 O ATOM 1375 ND2 ASN A 93 72.055 15.775 -2.537 1.00 0.34 N ATOM 0 H ASN A 93 75.783 12.897 -3.522 1.00 0.17 H new ATOM 0 HA ASN A 93 72.949 12.238 -4.293 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.179 13.005 -1.986 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.189 14.350 -2.478 1.00 0.20 H new ATOM 0 HD21 ASN A 93 71.229 16.353 -2.693 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.838 16.140 -1.995 1.00 0.34 H new ATOM 1382 N ILE A 94 73.204 13.724 -6.330 1.00 0.18 N ATOM 1383 CA ILE A 94 73.294 14.659 -7.500 1.00 0.18 C ATOM 1384 C ILE A 94 71.913 15.279 -7.715 1.00 0.18 C ATOM 1385 O ILE A 94 70.999 14.652 -8.212 1.00 0.17 O ATOM 1386 CB ILE A 94 73.720 13.849 -8.732 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.168 13.362 -8.541 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.650 14.699 -10.004 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.544 12.279 -9.570 1.00 0.23 C ATOM 0 H ILE A 94 72.597 12.917 -6.473 1.00 0.18 H new ATOM 0 HA ILE A 94 74.022 15.451 -7.326 1.00 0.18 H new ATOM 0 HB ILE A 94 73.040 13.004 -8.838 1.00 0.19 H new ATOM 0 HG12 ILE A 94 75.851 14.206 -8.634 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.289 12.964 -7.533 1.00 0.26 H new ATOM 0 HG21 ILE A 94 73.957 14.099 -10.860 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.628 15.047 -10.153 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.315 15.557 -9.905 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.573 11.960 -9.403 1.00 0.23 H new ATOM 0 HD12 ILE A 94 74.877 11.424 -9.459 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.449 12.685 -10.577 1.00 0.23 H new ATOM 1401 N ASP A 95 71.782 16.522 -7.354 1.00 0.18 N ATOM 1402 CA ASP A 95 70.495 17.251 -7.543 1.00 0.18 C ATOM 1403 C ASP A 95 69.365 16.668 -6.680 1.00 0.18 C ATOM 1404 O ASP A 95 68.211 16.722 -7.057 1.00 0.18 O ATOM 1405 CB ASP A 95 70.096 17.191 -9.024 1.00 0.18 C ATOM 1406 CG ASP A 95 69.100 18.314 -9.333 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.600 18.911 -8.394 1.00 0.22 O ATOM 1408 OD2 ASP A 95 68.858 18.558 -10.505 1.00 0.22 O ATOM 0 H ASP A 95 72.525 17.076 -6.928 1.00 0.18 H new ATOM 0 HA ASP A 95 70.645 18.284 -7.228 1.00 0.18 H new ATOM 0 HB2 ASP A 95 70.980 17.292 -9.654 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.650 16.223 -9.252 1.00 0.18 H new ATOM 1413 N GLY A 96 69.661 16.143 -5.518 1.00 0.18 N ATOM 1414 CA GLY A 96 68.569 15.604 -4.646 1.00 0.18 C ATOM 1415 C GLY A 96 68.273 14.136 -4.971 1.00 0.18 C ATOM 1416 O GLY A 96 67.467 13.507 -4.313 1.00 0.19 O ATOM 0 H GLY A 96 70.603 16.064 -5.136 1.00 0.18 H new ATOM 0 HA2 GLY A 96 68.857 15.696 -3.599 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.665 16.198 -4.781 1.00 0.18 H new ATOM 1420 N THR A 97 68.925 13.579 -5.962 1.00 0.17 N ATOM 1421 CA THR A 97 68.691 12.139 -6.320 1.00 0.18 C ATOM 1422 C THR A 97 70.008 11.374 -6.187 1.00 0.17 C ATOM 1423 O THR A 97 71.040 11.811 -6.660 1.00 0.18 O ATOM 1424 CB THR A 97 68.173 12.048 -7.759 1.00 0.21 C ATOM 1425 OG1 THR A 97 66.875 12.624 -7.823 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.108 10.582 -8.197 1.00 0.23 C ATOM 0 H THR A 97 69.613 14.059 -6.543 1.00 0.17 H new ATOM 0 HA THR A 97 67.950 11.704 -5.650 1.00 0.18 H new ATOM 0 HB THR A 97 68.848 12.587 -8.424 1.00 0.21 H new ATOM 0 HG1 THR A 97 66.538 12.570 -8.742 1.00 0.24 H new ATOM 0 HG21 THR A 97 67.739 10.524 -9.221 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.104 10.142 -8.145 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.435 10.035 -7.537 1.00 0.23 H new ATOM 1434 N LEU A 98 69.992 10.244 -5.530 1.00 0.17 N ATOM 1435 CA LEU A 98 71.253 9.468 -5.356 1.00 0.17 C ATOM 1436 C LEU A 98 71.659 8.820 -6.682 1.00 0.16 C ATOM 1437 O LEU A 98 70.831 8.322 -7.417 1.00 0.17 O ATOM 1438 CB LEU A 98 71.044 8.357 -4.324 1.00 0.18 C ATOM 1439 CG LEU A 98 70.622 8.934 -2.967 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.483 7.771 -1.984 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.678 9.929 -2.456 1.00 0.26 C ATOM 0 H LEU A 98 69.162 9.827 -5.108 1.00 0.17 H new ATOM 0 HA LEU A 98 72.033 10.152 -5.020 1.00 0.17 H new ATOM 0 HB2 LEU A 98 70.282 7.664 -4.681 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.965 7.786 -4.209 1.00 0.18 H new ATOM 0 HG LEU A 98 69.676 9.466 -3.065 1.00 0.18 H new ATOM 0 HD11 LEU A 98 70.183 8.153 -1.008 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.728 7.075 -2.349 1.00 0.22 H new ATOM 0 HD13 LEU A 98 71.439 7.255 -1.893 1.00 0.22 H new ATOM 0 HD21 LEU A 98 71.364 10.330 -1.492 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.634 9.418 -2.343 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.785 10.745 -3.171 1.00 0.26 H new ATOM 1453 N LYS A 99 72.936 8.804 -6.973 1.00 0.16 N ATOM 1454 CA LYS A 99 73.428 8.164 -8.232 1.00 0.16 C ATOM 1455 C LYS A 99 74.822 7.577 -7.987 1.00 0.16 C ATOM 1456 O LYS A 99 75.706 8.247 -7.485 1.00 0.18 O ATOM 1457 CB LYS A 99 73.496 9.206 -9.360 1.00 0.17 C ATOM 1458 CG LYS A 99 72.088 9.455 -9.913 1.00 0.19 C ATOM 1459 CD LYS A 99 72.138 10.490 -11.038 1.00 0.23 C ATOM 1460 CE LYS A 99 70.730 10.685 -11.603 1.00 0.66 C ATOM 1461 NZ LYS A 99 70.178 9.364 -12.017 1.00 1.38 N ATOM 0 H LYS A 99 73.665 9.211 -6.387 1.00 0.16 H new ATOM 0 HA LYS A 99 72.741 7.370 -8.526 1.00 0.16 H new ATOM 0 HB2 LYS A 99 73.920 10.137 -8.984 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.153 8.854 -10.155 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.666 8.522 -10.286 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.433 9.805 -9.115 1.00 0.19 H new ATOM 0 HD2 LYS A 99 72.526 11.436 -10.661 1.00 0.23 H new ATOM 0 HD3 LYS A 99 72.816 10.158 -11.824 1.00 0.23 H new ATOM 0 HE2 LYS A 99 70.085 11.143 -10.853 1.00 0.66 H new ATOM 0 HE3 LYS A 99 70.759 11.363 -12.456 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 69.457 9.504 -12.754 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 70.945 8.769 -12.391 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 69.746 8.895 -11.195 1.00 1.38 H new ATOM 1475 N TYR A 100 75.034 6.338 -8.343 1.00 0.16 N ATOM 1476 CA TYR A 100 76.374 5.711 -8.147 1.00 0.17 C ATOM 1477 C TYR A 100 77.356 6.321 -9.151 1.00 0.21 C ATOM 1478 O TYR A 100 77.021 6.550 -10.295 1.00 0.22 O ATOM 1479 CB TYR A 100 76.265 4.207 -8.424 1.00 0.17 C ATOM 1480 CG TYR A 100 77.621 3.563 -8.259 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.550 3.614 -9.307 1.00 0.25 C ATOM 1482 CD2 TYR A 100 77.955 2.917 -7.059 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.810 3.021 -9.157 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.215 2.325 -6.912 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.142 2.376 -7.961 1.00 0.28 C ATOM 1486 OH TYR A 100 81.383 1.790 -7.815 1.00 0.33 O ATOM 0 H TYR A 100 74.332 5.729 -8.764 1.00 0.16 H new ATOM 0 HA TYR A 100 76.719 5.882 -7.127 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.549 3.752 -7.740 1.00 0.17 H new ATOM 0 HB3 TYR A 100 75.892 4.039 -9.434 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.294 4.111 -10.231 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.241 2.877 -6.250 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.525 3.062 -9.965 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.473 1.828 -5.988 1.00 0.24 H new ATOM 0 HH TYR A 100 81.452 1.387 -6.925 1.00 0.33 H new ATOM 1496 N GLU A 101 78.570 6.580 -8.737 1.00 0.26 N ATOM 1497 CA GLU A 101 79.575 7.171 -9.674 1.00 0.33 C ATOM 1498 C GLU A 101 80.971 6.655 -9.316 1.00 0.40 C ATOM 1499 O GLU A 101 81.122 6.113 -8.234 1.00 1.14 O ATOM 1500 CB GLU A 101 79.546 8.700 -9.558 1.00 0.41 C ATOM 1501 CG GLU A 101 79.844 9.119 -8.115 1.00 0.45 C ATOM 1502 CD GLU A 101 79.812 10.645 -8.012 1.00 1.09 C ATOM 1503 OE1 GLU A 101 79.755 11.287 -9.048 1.00 1.69 O ATOM 1504 OE2 GLU A 101 79.851 11.145 -6.900 1.00 1.44 O ATOM 1505 OXT GLU A 101 81.864 6.811 -10.132 1.00 1.12 O ATOM 0 H GLU A 101 78.910 6.408 -7.791 1.00 0.26 H new ATOM 0 HA GLU A 101 79.333 6.882 -10.697 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.281 9.139 -10.232 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.570 9.078 -9.861 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.109 8.682 -7.439 1.00 0.45 H new ATOM 0 HG3 GLU A 101 80.821 8.743 -7.810 1.00 0.45 H new TER 1512 GLU A 101