USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 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= -0.427 F(o=-1.1,f=-0.43) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -1.59! C(o=-1.6!,f=-8.6!) 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= 1.11 (180deg=0) USER MOD Set 3.2: A 78 GLN : amide:sc= -0.618 K(o=0.49,f=-11!) USER MOD Set 4.1: A 67 SER OG : rot 179:sc= 1.05 USER MOD Set 4.2: A 86 ASN : amide:sc= 0.154 K(o=1.2,f=-6!) USER MOD Set 5.1: A 42 ASN : amide:sc= -0.678 K(o=-0.66,f=-6.3!) USER MOD Set 5.2: A 57 THR OG1 : rot -170:sc= 0.0196 USER MOD Set 6.1: A 37 ASN : amide:sc= -5.36! C(o=-7!,f=-10!) USER MOD Set 6.2: A 53 ASN : amide:sc= -1.6 K(o=-7,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 -73:sc= 1.01 USER MOD Set 8.2: A 33 SER OG : rot 180:sc= 0.878 USER MOD Set 9.1: A 11 SER OG : rot 180:sc= 0.895 USER MOD Set 9.2: A 20 SER OG : rot 126:sc= 1.04 USER MOD Set10.1: A 7 THR OG1 : rot -160:sc= 0.047 USER MOD Set10.2: A 93 ASN : amide:sc= -0.633 K(o=-0.59,f=-5!) USER MOD Single : A 1 LEU N :NH3+ -158:sc= -0.0979 (180deg=-0.609) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.433 K(o=-0.43,f=-2.8!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 16 SER OG : rot 103:sc= 0.888 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 26 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -120: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 : amide:sc= 1.08 K(o=1.1,f=-0.24) USER MOD Single : A 52 SER OG : rot -47:sc= 0.812 USER MOD Single : A 60 ASN : amide:sc= -0.184 K(o=-0.18,f=-2!) USER MOD Single : A 61 THR OG1 : rot 147:sc= 1.13 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 79 GLN : amide:sc=-2.03e-05 K(o=-2e-05,f=-1.4) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 60:sc= -0.0166 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.203 11.777 -3.883 1.00 0.30 N ATOM 2 CA LEU A 1 83.275 10.751 -4.438 1.00 0.28 C ATOM 3 C LEU A 1 82.297 10.299 -3.352 1.00 0.26 C ATOM 4 O LEU A 1 82.665 10.098 -2.212 1.00 0.27 O ATOM 5 CB LEU A 1 84.077 9.540 -4.924 1.00 0.29 C ATOM 6 CG LEU A 1 85.027 9.954 -6.056 1.00 0.33 C ATOM 7 CD1 LEU A 1 85.893 8.750 -6.446 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.221 10.433 -7.280 1.00 0.42 C ATOM 0 H1 LEU A 1 84.600 12.343 -4.660 1.00 0.30 H new ATOM 0 H2 LEU A 1 83.683 12.400 -3.232 1.00 0.30 H new ATOM 0 H3 LEU A 1 84.974 11.306 -3.369 1.00 0.30 H new ATOM 0 HA LEU A 1 82.723 11.185 -5.272 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.647 9.117 -4.097 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.399 8.762 -5.275 1.00 0.29 H new ATOM 0 HG LEU A 1 85.661 10.772 -5.715 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.571 9.035 -7.250 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.471 8.423 -5.582 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.252 7.935 -6.783 1.00 0.34 H new ATOM 0 HD21 LEU A 1 84.907 10.724 -8.076 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.579 9.626 -7.631 1.00 0.42 H new ATOM 0 HD23 LEU A 1 83.607 11.289 -6.999 1.00 0.42 H new ATOM 22 N GLY A 2 81.048 10.159 -3.698 1.00 0.24 N ATOM 23 CA GLY A 2 80.031 9.735 -2.694 1.00 0.24 C ATOM 24 C GLY A 2 79.921 10.798 -1.603 1.00 0.25 C ATOM 25 O GLY A 2 79.972 11.974 -1.889 1.00 0.33 O ATOM 0 H GLY A 2 80.685 10.321 -4.638 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.064 9.593 -3.177 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.313 8.777 -2.257 1.00 0.24 H new ATOM 29 N LYS A 3 79.761 10.380 -0.358 1.00 0.23 N ATOM 30 CA LYS A 3 79.634 11.318 0.810 1.00 0.23 C ATOM 31 C LYS A 3 78.229 11.929 0.848 1.00 0.19 C ATOM 32 O LYS A 3 77.992 12.932 1.492 1.00 0.20 O ATOM 33 CB LYS A 3 80.698 12.428 0.763 1.00 0.28 C ATOM 34 CG LYS A 3 82.092 11.789 0.796 1.00 0.34 C ATOM 35 CD LYS A 3 83.167 12.878 0.751 1.00 1.04 C ATOM 36 CE LYS A 3 84.551 12.225 0.784 1.00 1.30 C ATOM 37 NZ LYS A 3 85.596 13.264 0.566 1.00 1.98 N ATOM 0 H LYS A 3 79.712 9.394 -0.101 1.00 0.23 H new ATOM 0 HA LYS A 3 79.798 10.741 1.720 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.579 13.025 -0.141 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.574 13.104 1.609 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.206 11.191 1.700 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.212 11.113 -0.051 1.00 0.34 H new ATOM 0 HD2 LYS A 3 83.056 13.477 -0.153 1.00 1.04 H new ATOM 0 HD3 LYS A 3 83.051 13.554 1.598 1.00 1.04 H new ATOM 0 HE2 LYS A 3 84.709 11.731 1.743 1.00 1.30 H new ATOM 0 HE3 LYS A 3 84.621 11.457 0.014 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 86.536 12.821 0.588 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 85.448 13.716 -0.359 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 85.534 13.982 1.316 1.00 1.98 H new ATOM 51 N PHE A 4 77.293 11.321 0.170 1.00 0.17 N ATOM 52 CA PHE A 4 75.893 11.843 0.159 1.00 0.17 C ATOM 53 C PHE A 4 75.429 12.171 1.584 1.00 0.16 C ATOM 54 O PHE A 4 74.465 12.887 1.770 1.00 0.15 O ATOM 55 CB PHE A 4 74.961 10.777 -0.444 1.00 0.18 C ATOM 56 CG PHE A 4 74.699 9.679 0.569 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.639 8.660 0.767 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.515 9.691 1.318 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.393 7.655 1.711 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.271 8.688 2.262 1.00 0.23 C ATOM 61 CZ PHE A 4 74.210 7.669 2.459 1.00 0.25 C ATOM 0 H PHE A 4 77.439 10.476 -0.383 1.00 0.17 H new ATOM 0 HA PHE A 4 75.861 12.753 -0.439 1.00 0.17 H new ATOM 0 HB2 PHE A 4 74.019 11.235 -0.746 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.412 10.354 -1.341 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.553 8.649 0.192 1.00 0.21 H new ATOM 0 HD2 PHE A 4 72.789 10.476 1.166 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.117 6.868 1.862 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.358 8.700 2.839 1.00 0.23 H new ATOM 0 HZ PHE A 4 74.022 6.894 3.188 1.00 0.25 H new ATOM 71 N SER A 5 76.064 11.646 2.589 1.00 0.15 N ATOM 72 CA SER A 5 75.600 11.929 3.974 1.00 0.15 C ATOM 73 C SER A 5 75.867 13.389 4.343 1.00 0.14 C ATOM 74 O SER A 5 75.370 13.883 5.335 1.00 0.14 O ATOM 75 CB SER A 5 76.343 11.007 4.941 1.00 0.18 C ATOM 76 OG SER A 5 77.714 11.384 4.994 1.00 0.21 O ATOM 0 H SER A 5 76.879 11.037 2.515 1.00 0.15 H new ATOM 0 HA SER A 5 74.526 11.751 4.037 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.899 11.069 5.934 1.00 0.18 H new ATOM 0 HB3 SER A 5 76.252 9.971 4.616 1.00 0.18 H new ATOM 0 HG SER A 5 78.191 10.795 5.615 1.00 0.21 H new ATOM 82 N GLN A 6 76.634 14.096 3.555 1.00 0.15 N ATOM 83 CA GLN A 6 76.908 15.524 3.876 1.00 0.16 C ATOM 84 C GLN A 6 75.665 16.378 3.610 1.00 0.14 C ATOM 85 O GLN A 6 75.475 17.403 4.235 1.00 0.15 O ATOM 86 CB GLN A 6 78.066 16.033 3.016 1.00 0.20 C ATOM 87 CG GLN A 6 79.369 15.374 3.473 1.00 0.25 C ATOM 88 CD GLN A 6 80.495 15.751 2.507 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.246 16.313 1.458 1.00 0.93 O ATOM 90 NE2 GLN A 6 81.730 15.468 2.819 1.00 1.12 N ATOM 0 H GLN A 6 77.080 13.746 2.707 1.00 0.15 H new ATOM 0 HA GLN A 6 77.173 15.600 4.931 1.00 0.16 H new ATOM 0 HB2 GLN A 6 77.880 15.806 1.966 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.146 17.117 3.099 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.618 15.698 4.484 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.250 14.291 3.505 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.938 14.997 3.699 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.487 15.718 2.183 1.00 1.12 H new ATOM 99 N THR A 7 74.823 15.980 2.676 1.00 0.13 N ATOM 100 CA THR A 7 73.597 16.796 2.366 1.00 0.14 C ATOM 101 C THR A 7 72.329 15.940 2.430 1.00 0.13 C ATOM 102 O THR A 7 71.311 16.317 1.885 1.00 0.14 O ATOM 103 CB THR A 7 73.723 17.413 0.972 1.00 0.16 C ATOM 104 OG1 THR A 7 73.981 16.389 0.020 1.00 0.17 O ATOM 105 CG2 THR A 7 74.870 18.424 0.964 1.00 0.20 C ATOM 0 H THR A 7 74.931 15.132 2.119 1.00 0.13 H new ATOM 0 HA THR A 7 73.519 17.584 3.115 1.00 0.14 H new ATOM 0 HB THR A 7 72.793 17.919 0.713 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.369 16.784 -0.788 1.00 0.17 H new ATOM 0 HG21 THR A 7 74.960 18.864 -0.029 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.668 19.210 1.692 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.801 17.920 1.224 1.00 0.20 H new ATOM 113 N CYS A 8 72.360 14.807 3.099 1.00 0.13 N ATOM 114 CA CYS A 8 71.123 13.959 3.209 1.00 0.13 C ATOM 115 C CYS A 8 70.920 13.611 4.686 1.00 0.13 C ATOM 116 O CYS A 8 71.862 13.588 5.453 1.00 0.14 O ATOM 117 CB CYS A 8 71.276 12.690 2.362 1.00 0.12 C ATOM 118 SG CYS A 8 71.590 13.154 0.635 1.00 0.12 S ATOM 0 H CYS A 8 73.184 14.434 3.571 1.00 0.13 H new ATOM 0 HA CYS A 8 70.253 14.500 2.835 1.00 0.13 H new ATOM 0 HB2 CYS A 8 72.097 12.082 2.742 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.373 12.083 2.429 1.00 0.12 H new ATOM 123 N TYR A 9 69.703 13.373 5.108 1.00 0.13 N ATOM 124 CA TYR A 9 69.466 13.062 6.555 1.00 0.14 C ATOM 125 C TYR A 9 68.308 12.064 6.699 1.00 0.14 C ATOM 126 O TYR A 9 67.633 11.740 5.743 1.00 0.14 O ATOM 127 CB TYR A 9 69.142 14.362 7.299 1.00 0.16 C ATOM 128 CG TYR A 9 67.783 14.865 6.880 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.645 15.682 5.752 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.659 14.501 7.622 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.377 16.136 5.368 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.389 14.953 7.240 1.00 0.26 C ATOM 133 CZ TYR A 9 65.248 15.770 6.112 1.00 0.27 C ATOM 134 OH TYR A 9 63.998 16.214 5.734 1.00 0.33 O ATOM 0 H TYR A 9 68.869 13.380 4.521 1.00 0.13 H new ATOM 0 HA TYR A 9 70.362 12.612 6.983 1.00 0.14 H new ATOM 0 HB2 TYR A 9 69.160 14.190 8.375 1.00 0.16 H new ATOM 0 HB3 TYR A 9 69.901 15.114 7.083 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.516 15.962 5.178 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.768 13.870 8.492 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.270 16.768 4.499 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.519 14.671 7.815 1.00 0.26 H new ATOM 0 HH TYR A 9 63.326 15.868 6.357 1.00 0.33 H new ATOM 144 N ASN A 10 68.106 11.547 7.887 1.00 0.15 N ATOM 145 CA ASN A 10 67.023 10.537 8.106 1.00 0.16 C ATOM 146 C ASN A 10 67.246 9.360 7.153 1.00 0.15 C ATOM 147 O ASN A 10 66.315 8.789 6.619 1.00 0.16 O ATOM 148 CB ASN A 10 65.636 11.162 7.865 1.00 0.18 C ATOM 149 CG ASN A 10 65.187 11.931 9.114 1.00 0.21 C ATOM 150 OD1 ASN A 10 65.862 11.921 10.124 1.00 0.81 O ATOM 151 ND2 ASN A 10 64.064 12.596 9.088 1.00 0.67 N ATOM 0 H ASN A 10 68.648 11.783 8.719 1.00 0.15 H new ATOM 0 HA ASN A 10 67.058 10.189 9.138 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.674 11.834 7.008 1.00 0.18 H new ATOM 0 HB3 ASN A 10 64.912 10.382 7.627 1.00 0.18 H new ATOM 0 HD21 ASN A 10 63.754 13.106 9.915 1.00 0.67 H new ATOM 0 HD22 ASN A 10 63.496 12.605 8.241 1.00 0.67 H new ATOM 158 N SER A 11 68.483 8.999 6.940 1.00 0.14 N ATOM 159 CA SER A 11 68.788 7.861 6.030 1.00 0.14 C ATOM 160 C SER A 11 68.301 6.554 6.651 1.00 0.13 C ATOM 161 O SER A 11 68.354 6.355 7.849 1.00 0.14 O ATOM 162 CB SER A 11 70.299 7.780 5.803 1.00 0.15 C ATOM 163 OG SER A 11 70.731 8.945 5.111 1.00 0.18 O ATOM 0 H SER A 11 69.298 9.446 7.360 1.00 0.14 H new ATOM 0 HA SER A 11 68.281 8.019 5.078 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.818 7.696 6.758 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.545 6.888 5.227 1.00 0.15 H new ATOM 0 HG SER A 11 71.699 8.898 4.965 1.00 0.18 H new ATOM 169 N ALA A 12 67.826 5.664 5.827 1.00 0.13 N ATOM 170 CA ALA A 12 67.317 4.357 6.339 1.00 0.13 C ATOM 171 C ALA A 12 67.625 3.258 5.325 1.00 0.13 C ATOM 172 O ALA A 12 67.762 3.508 4.143 1.00 0.13 O ATOM 173 CB ALA A 12 65.803 4.460 6.533 1.00 0.13 C ATOM 0 H ALA A 12 67.767 5.784 4.816 1.00 0.13 H new ATOM 0 HA ALA A 12 67.798 4.117 7.287 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.419 3.511 6.907 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.581 5.250 7.251 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.329 4.693 5.579 1.00 0.13 H new ATOM 179 N ILE A 13 67.738 2.038 5.791 1.00 0.13 N ATOM 180 CA ILE A 13 68.035 0.892 4.878 1.00 0.14 C ATOM 181 C ILE A 13 67.080 -0.261 5.170 1.00 0.14 C ATOM 182 O ILE A 13 66.853 -0.633 6.304 1.00 0.16 O ATOM 183 CB ILE A 13 69.498 0.443 5.049 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.406 1.492 4.402 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.717 -0.911 4.365 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.868 1.271 4.790 1.00 0.17 C ATOM 0 H ILE A 13 67.636 1.786 6.774 1.00 0.13 H new ATOM 0 HA ILE A 13 67.893 1.210 3.845 1.00 0.14 H new ATOM 0 HB ILE A 13 69.730 0.342 6.109 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.304 1.447 3.318 1.00 0.15 H new ATOM 0 HG13 ILE A 13 70.092 2.489 4.710 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.755 -1.219 4.492 1.00 0.16 H new ATOM 0 HG22 ILE A 13 69.060 -1.656 4.814 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.492 -0.822 3.302 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.489 2.031 4.316 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.972 1.341 5.873 1.00 0.17 H new ATOM 0 HD13 ILE A 13 72.187 0.283 4.459 1.00 0.17 H new ATOM 198 N GLN A 14 66.527 -0.830 4.133 1.00 0.14 N ATOM 199 CA GLN A 14 65.585 -1.973 4.294 1.00 0.16 C ATOM 200 C GLN A 14 65.949 -3.023 3.247 1.00 0.15 C ATOM 201 O GLN A 14 65.879 -2.782 2.058 1.00 0.15 O ATOM 202 CB GLN A 14 64.152 -1.489 4.066 1.00 0.18 C ATOM 203 CG GLN A 14 63.174 -2.631 4.347 1.00 0.23 C ATOM 204 CD GLN A 14 61.740 -2.107 4.259 1.00 1.00 C ATOM 205 OE1 GLN A 14 61.524 -0.923 4.087 1.00 1.65 O ATOM 206 NE2 GLN A 14 60.743 -2.940 4.382 1.00 1.56 N ATOM 0 H GLN A 14 66.691 -0.546 3.167 1.00 0.14 H new ATOM 0 HA GLN A 14 65.655 -2.394 5.297 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.935 -0.643 4.718 1.00 0.18 H new ATOM 0 HB3 GLN A 14 64.034 -1.140 3.040 1.00 0.18 H new ATOM 0 HG2 GLN A 14 63.323 -3.437 3.628 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.360 -3.048 5.337 1.00 0.23 H new ATOM 0 HE21 GLN A 14 60.923 -3.934 4.526 1.00 1.56 H new ATOM 0 HE22 GLN A 14 59.783 -2.598 4.334 1.00 1.56 H new ATOM 215 N GLY A 15 66.364 -4.171 3.678 1.00 0.17 N ATOM 216 CA GLY A 15 66.762 -5.209 2.691 1.00 0.16 C ATOM 217 C GLY A 15 67.990 -4.703 1.926 1.00 0.14 C ATOM 218 O GLY A 15 69.018 -4.427 2.511 1.00 0.14 O ATOM 0 H GLY A 15 66.446 -4.439 4.659 1.00 0.17 H new ATOM 0 HA2 GLY A 15 66.991 -6.147 3.198 1.00 0.16 H new ATOM 0 HA3 GLY A 15 65.942 -5.411 2.002 1.00 0.16 H new ATOM 222 N SER A 16 67.884 -4.551 0.626 1.00 0.12 N ATOM 223 CA SER A 16 69.038 -4.036 -0.188 1.00 0.12 C ATOM 224 C SER A 16 68.710 -2.633 -0.724 1.00 0.11 C ATOM 225 O SER A 16 69.494 -2.029 -1.429 1.00 0.12 O ATOM 226 CB SER A 16 69.278 -4.979 -1.367 1.00 0.14 C ATOM 227 OG SER A 16 68.202 -4.861 -2.289 1.00 0.20 O ATOM 0 H SER A 16 67.043 -4.762 0.089 1.00 0.12 H new ATOM 0 HA SER A 16 69.929 -3.985 0.438 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.220 -4.735 -1.857 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.359 -6.007 -1.015 1.00 0.14 H new ATOM 0 HG SER A 16 68.485 -4.320 -3.055 1.00 0.20 H new ATOM 233 N VAL A 17 67.544 -2.122 -0.420 1.00 0.11 N ATOM 234 CA VAL A 17 67.145 -0.776 -0.946 1.00 0.11 C ATOM 235 C VAL A 17 67.598 0.358 -0.010 1.00 0.11 C ATOM 236 O VAL A 17 67.262 0.402 1.157 1.00 0.13 O ATOM 237 CB VAL A 17 65.619 -0.734 -1.099 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.167 0.680 -1.484 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.194 -1.712 -2.198 1.00 0.19 C ATOM 0 H VAL A 17 66.848 -2.578 0.171 1.00 0.11 H new ATOM 0 HA VAL A 17 67.632 -0.626 -1.910 1.00 0.11 H new ATOM 0 HB VAL A 17 65.158 -1.013 -0.151 1.00 0.14 H new ATOM 0 HG11 VAL A 17 64.082 0.699 -1.590 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.468 1.382 -0.707 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.629 0.965 -2.429 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.110 -1.685 -2.310 1.00 0.19 H new ATOM 0 HG22 VAL A 17 65.663 -1.427 -3.140 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.506 -2.721 -1.928 1.00 0.19 H new ATOM 249 N LEU A 18 68.326 1.293 -0.552 1.00 0.11 N ATOM 250 CA LEU A 18 68.777 2.478 0.239 1.00 0.12 C ATOM 251 C LEU A 18 67.741 3.582 0.025 1.00 0.12 C ATOM 252 O LEU A 18 67.394 3.904 -1.092 1.00 0.13 O ATOM 253 CB LEU A 18 70.154 2.939 -0.268 1.00 0.14 C ATOM 254 CG LEU A 18 70.562 4.283 0.361 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.651 4.147 1.884 1.00 0.24 C ATOM 256 CD2 LEU A 18 71.932 4.692 -0.191 1.00 0.20 C ATOM 0 H LEU A 18 68.634 1.289 -1.524 1.00 0.11 H new ATOM 0 HA LEU A 18 68.866 2.235 1.298 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.902 2.183 -0.032 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.130 3.036 -1.353 1.00 0.14 H new ATOM 0 HG LEU A 18 69.816 5.039 0.116 1.00 0.17 H new ATOM 0 HD11 LEU A 18 70.940 5.104 2.318 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.681 3.847 2.280 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.395 3.393 2.139 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.232 5.644 0.248 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.668 3.929 0.060 1.00 0.20 H new ATOM 0 HD23 LEU A 18 71.872 4.795 -1.274 1.00 0.20 H new ATOM 268 N THR A 19 67.240 4.160 1.095 1.00 0.13 N ATOM 269 CA THR A 19 66.206 5.240 0.972 1.00 0.14 C ATOM 270 C THR A 19 66.616 6.443 1.827 1.00 0.14 C ATOM 271 O THR A 19 66.960 6.295 2.984 1.00 0.14 O ATOM 272 CB THR A 19 64.878 4.675 1.478 1.00 0.16 C ATOM 273 OG1 THR A 19 64.491 3.582 0.659 1.00 0.20 O ATOM 274 CG2 THR A 19 63.783 5.743 1.450 1.00 0.19 C ATOM 0 H THR A 19 67.505 3.928 2.052 1.00 0.13 H new ATOM 0 HA THR A 19 66.112 5.564 -0.064 1.00 0.14 H new ATOM 0 HB THR A 19 65.011 4.344 2.508 1.00 0.16 H new ATOM 0 HG1 THR A 19 64.179 3.917 -0.208 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.849 5.316 1.815 1.00 0.19 H new ATOM 0 HG22 THR A 19 64.073 6.578 2.087 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.646 6.097 0.428 1.00 0.19 H new ATOM 282 N SER A 20 66.596 7.626 1.289 1.00 0.14 N ATOM 283 CA SER A 20 67.009 8.791 2.132 1.00 0.15 C ATOM 284 C SER A 20 66.465 10.110 1.573 1.00 0.14 C ATOM 285 O SER A 20 66.120 10.220 0.412 1.00 0.14 O ATOM 286 CB SER A 20 68.535 8.857 2.165 1.00 0.16 C ATOM 287 OG SER A 20 68.942 9.807 3.140 1.00 0.22 O ATOM 0 H SER A 20 66.321 7.841 0.331 1.00 0.14 H new ATOM 0 HA SER A 20 66.603 8.653 3.134 1.00 0.15 H new ATOM 0 HB2 SER A 20 68.948 7.876 2.401 1.00 0.16 H new ATOM 0 HB3 SER A 20 68.920 9.137 1.184 1.00 0.16 H new ATOM 0 HG SER A 20 69.562 9.384 3.770 1.00 0.22 H new ATOM 293 N THR A 21 66.413 11.122 2.408 1.00 0.16 N ATOM 294 CA THR A 21 65.925 12.461 1.950 1.00 0.16 C ATOM 295 C THR A 21 67.153 13.315 1.631 1.00 0.15 C ATOM 296 O THR A 21 68.010 13.501 2.473 1.00 0.17 O ATOM 297 CB THR A 21 65.110 13.122 3.067 1.00 0.19 C ATOM 298 OG1 THR A 21 63.948 12.349 3.325 1.00 0.22 O ATOM 299 CG2 THR A 21 64.704 14.533 2.640 1.00 0.25 C ATOM 0 H THR A 21 66.688 11.077 3.389 1.00 0.16 H new ATOM 0 HA THR A 21 65.289 12.360 1.070 1.00 0.16 H new ATOM 0 HB THR A 21 65.715 13.180 3.972 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.427 12.770 4.040 1.00 0.22 H new ATOM 0 HG21 THR A 21 64.125 15.001 3.436 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.598 15.126 2.445 1.00 0.25 H new ATOM 0 HG23 THR A 21 64.100 14.479 1.734 1.00 0.25 H new ATOM 307 N CYS A 22 67.263 13.820 0.420 1.00 0.14 N ATOM 308 CA CYS A 22 68.463 14.642 0.043 1.00 0.15 C ATOM 309 C CYS A 22 68.061 16.043 -0.416 1.00 0.15 C ATOM 310 O CYS A 22 66.978 16.267 -0.923 1.00 0.16 O ATOM 311 CB CYS A 22 69.211 13.924 -1.080 1.00 0.14 C ATOM 312 SG CYS A 22 70.002 12.442 -0.400 1.00 0.14 S ATOM 0 H CYS A 22 66.574 13.698 -0.322 1.00 0.14 H new ATOM 0 HA CYS A 22 69.102 14.754 0.919 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.521 13.651 -1.879 1.00 0.14 H new ATOM 0 HB3 CYS A 22 69.960 14.585 -1.517 1.00 0.14 H new ATOM 317 N GLU A 23 68.940 16.991 -0.229 1.00 0.18 N ATOM 318 CA GLU A 23 68.646 18.390 -0.634 1.00 0.19 C ATOM 319 C GLU A 23 68.829 18.583 -2.143 1.00 0.19 C ATOM 320 O GLU A 23 69.750 18.080 -2.755 1.00 0.22 O ATOM 321 CB GLU A 23 69.570 19.348 0.118 1.00 0.24 C ATOM 322 CG GLU A 23 69.098 20.783 -0.115 1.00 0.27 C ATOM 323 CD GLU A 23 69.942 21.743 0.725 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.744 21.264 1.510 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.772 22.941 0.570 1.00 0.35 O ATOM 0 H GLU A 23 69.858 16.851 0.192 1.00 0.18 H new ATOM 0 HA GLU A 23 67.606 18.603 -0.385 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.563 19.118 1.183 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.597 19.229 -0.227 1.00 0.24 H new ATOM 0 HG2 GLU A 23 69.183 21.037 -1.171 1.00 0.27 H new ATOM 0 HG3 GLU A 23 68.046 20.878 0.153 1.00 0.27 H new ATOM 332 N ARG A 24 67.940 19.344 -2.720 1.00 0.20 N ATOM 333 CA ARG A 24 67.981 19.656 -4.177 1.00 0.23 C ATOM 334 C ARG A 24 68.949 20.818 -4.422 1.00 0.25 C ATOM 335 O ARG A 24 69.228 21.608 -3.542 1.00 0.24 O ATOM 336 CB ARG A 24 66.577 20.074 -4.615 1.00 0.24 C ATOM 337 CG ARG A 24 65.617 18.896 -4.430 1.00 0.34 C ATOM 338 CD ARG A 24 64.200 19.324 -4.814 1.00 0.51 C ATOM 339 NE ARG A 24 64.154 19.643 -6.267 1.00 0.97 N ATOM 340 CZ ARG A 24 63.004 19.770 -6.870 1.00 1.52 C ATOM 341 NH1 ARG A 24 61.896 19.624 -6.196 1.00 1.87 N ATOM 342 NH2 ARG A 24 62.961 20.045 -8.145 1.00 2.24 N ATOM 0 H ARG A 24 67.161 19.777 -2.224 1.00 0.20 H new ATOM 0 HA ARG A 24 68.314 18.784 -4.740 1.00 0.23 H new ATOM 0 HB2 ARG A 24 66.240 20.928 -4.028 1.00 0.24 H new ATOM 0 HB3 ARG A 24 66.588 20.389 -5.659 1.00 0.24 H new ATOM 0 HG2 ARG A 24 65.934 18.055 -5.047 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.637 18.556 -3.394 1.00 0.34 H new ATOM 0 HD2 ARG A 24 63.493 18.527 -4.583 1.00 0.51 H new ATOM 0 HD3 ARG A 24 63.901 20.194 -4.230 1.00 0.51 H new ATOM 0 HE ARG A 24 65.021 19.762 -6.791 1.00 0.97 H new ATOM 0 HH11 ARG A 24 61.930 19.411 -5.199 1.00 1.87 H new ATOM 0 HH12 ARG A 24 60.996 19.723 -6.666 1.00 1.87 H new ATOM 0 HH21 ARG A 24 63.827 20.161 -8.671 1.00 2.24 H new ATOM 0 HH22 ARG A 24 62.061 20.144 -8.615 1.00 2.24 H new ATOM 356 N THR A 25 69.484 20.908 -5.612 1.00 0.32 N ATOM 357 CA THR A 25 70.459 21.993 -5.928 1.00 0.37 C ATOM 358 C THR A 25 69.799 23.370 -5.822 1.00 0.34 C ATOM 359 O THR A 25 70.406 24.320 -5.369 1.00 0.35 O ATOM 360 CB THR A 25 70.978 21.801 -7.354 1.00 0.45 C ATOM 361 OG1 THR A 25 71.621 20.538 -7.454 1.00 1.12 O ATOM 362 CG2 THR A 25 71.977 22.910 -7.685 1.00 1.23 C ATOM 0 H THR A 25 69.285 20.271 -6.384 1.00 0.32 H new ATOM 0 HA THR A 25 71.279 21.941 -5.211 1.00 0.37 H new ATOM 0 HB THR A 25 70.145 21.842 -8.055 1.00 0.45 H new ATOM 0 HG1 THR A 25 71.953 20.411 -8.367 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.348 22.774 -8.701 1.00 1.23 H new ATOM 0 HG22 THR A 25 71.485 23.879 -7.605 1.00 1.23 H new ATOM 0 HG23 THR A 25 72.812 22.868 -6.986 1.00 1.23 H new ATOM 370 N ASN A 26 68.579 23.501 -6.271 1.00 0.32 N ATOM 371 CA ASN A 26 67.908 24.838 -6.223 1.00 0.30 C ATOM 372 C ASN A 26 67.134 24.981 -4.913 1.00 0.27 C ATOM 373 O ASN A 26 66.140 25.676 -4.838 1.00 0.25 O ATOM 374 CB ASN A 26 66.949 24.974 -7.411 1.00 0.31 C ATOM 375 CG ASN A 26 67.743 24.889 -8.718 1.00 1.30 C ATOM 376 OD1 ASN A 26 67.407 24.119 -9.597 1.00 1.98 O ATOM 377 ND2 ASN A 26 68.787 25.655 -8.886 1.00 2.23 N ATOM 0 H ASN A 26 68.019 22.746 -6.667 1.00 0.32 H new ATOM 0 HA ASN A 26 68.663 25.623 -6.278 1.00 0.30 H new ATOM 0 HB2 ASN A 26 66.197 24.186 -7.378 1.00 0.31 H new ATOM 0 HB3 ASN A 26 66.418 25.924 -7.357 1.00 0.31 H new ATOM 0 HD21 ASN A 26 69.320 25.607 -9.754 1.00 2.23 H new ATOM 0 HD22 ASN A 26 69.069 26.301 -8.149 1.00 2.23 H new ATOM 384 N GLY A 27 67.590 24.336 -3.876 1.00 0.27 N ATOM 385 CA GLY A 27 66.891 24.438 -2.566 1.00 0.26 C ATOM 386 C GLY A 27 65.657 23.534 -2.567 1.00 0.23 C ATOM 387 O GLY A 27 65.129 23.196 -3.606 1.00 0.22 O ATOM 0 H GLY A 27 68.419 23.741 -3.880 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.565 24.148 -1.760 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.597 25.471 -2.380 1.00 0.26 H new ATOM 391 N GLY A 28 65.246 23.082 -1.409 1.00 0.23 N ATOM 392 CA GLY A 28 64.088 22.128 -1.331 1.00 0.23 C ATOM 393 C GLY A 28 64.652 20.745 -0.992 1.00 0.23 C ATOM 394 O GLY A 28 65.843 20.525 -1.090 1.00 0.24 O ATOM 0 H GLY A 28 65.660 23.331 -0.511 1.00 0.23 H new ATOM 0 HA2 GLY A 28 63.377 22.449 -0.569 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.549 22.101 -2.278 1.00 0.23 H new ATOM 398 N TYR A 29 63.820 19.800 -0.618 1.00 0.22 N ATOM 399 CA TYR A 29 64.331 18.423 -0.302 1.00 0.21 C ATOM 400 C TYR A 29 63.674 17.409 -1.237 1.00 0.20 C ATOM 401 O TYR A 29 62.525 17.536 -1.609 1.00 0.21 O ATOM 402 CB TYR A 29 64.009 18.060 1.158 1.00 0.24 C ATOM 403 CG TYR A 29 65.021 18.709 2.083 1.00 0.27 C ATOM 404 CD1 TYR A 29 66.302 18.144 2.235 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.682 19.870 2.789 1.00 0.31 C ATOM 406 CE1 TYR A 29 67.232 18.746 3.093 1.00 0.32 C ATOM 407 CE2 TYR A 29 65.615 20.468 3.645 1.00 0.35 C ATOM 408 CZ TYR A 29 66.889 19.906 3.797 1.00 0.36 C ATOM 409 OH TYR A 29 67.806 20.496 4.643 1.00 0.42 O ATOM 0 H TYR A 29 62.812 19.921 -0.518 1.00 0.22 H new ATOM 0 HA TYR A 29 65.412 18.404 -0.442 1.00 0.21 H new ATOM 0 HB2 TYR A 29 63.003 18.394 1.412 1.00 0.24 H new ATOM 0 HB3 TYR A 29 64.027 16.978 1.286 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.567 17.249 1.692 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.700 20.305 2.673 1.00 0.31 H new ATOM 0 HE1 TYR A 29 68.215 18.314 3.211 1.00 0.32 H new ATOM 0 HE2 TYR A 29 65.352 21.363 4.189 1.00 0.35 H new ATOM 0 HH TYR A 29 67.408 21.293 5.052 1.00 0.42 H new ATOM 419 N ASN A 30 64.410 16.393 -1.607 1.00 0.19 N ATOM 420 CA ASN A 30 63.876 15.336 -2.522 1.00 0.20 C ATOM 421 C ASN A 30 64.063 13.973 -1.855 1.00 0.19 C ATOM 422 O ASN A 30 65.020 13.758 -1.137 1.00 0.21 O ATOM 423 CB ASN A 30 64.653 15.378 -3.842 1.00 0.23 C ATOM 424 CG ASN A 30 64.126 14.290 -4.780 1.00 0.27 C ATOM 425 OD1 ASN A 30 63.136 13.649 -4.488 1.00 0.42 O ATOM 426 ND2 ASN A 30 64.748 14.055 -5.903 1.00 0.35 N ATOM 0 H ASN A 30 65.375 16.248 -1.309 1.00 0.19 H new ATOM 0 HA ASN A 30 62.818 15.505 -2.722 1.00 0.20 H new ATOM 0 HB2 ASN A 30 64.546 16.358 -4.308 1.00 0.23 H new ATOM 0 HB3 ASN A 30 65.716 15.228 -3.655 1.00 0.23 H new ATOM 0 HD21 ASN A 30 64.403 13.333 -6.536 1.00 0.35 H new ATOM 0 HD22 ASN A 30 65.579 14.593 -6.148 1.00 0.35 H new ATOM 433 N THR A 31 63.145 13.058 -2.068 1.00 0.18 N ATOM 434 CA THR A 31 63.239 11.703 -1.430 1.00 0.17 C ATOM 435 C THR A 31 63.301 10.644 -2.530 1.00 0.15 C ATOM 436 O THR A 31 62.495 10.649 -3.440 1.00 0.17 O ATOM 437 CB THR A 31 61.983 11.519 -0.577 1.00 0.21 C ATOM 438 OG1 THR A 31 61.942 12.543 0.405 1.00 0.28 O ATOM 439 CG2 THR A 31 61.946 10.159 0.125 1.00 0.23 C ATOM 0 H THR A 31 62.327 13.193 -2.662 1.00 0.18 H new ATOM 0 HA THR A 31 64.130 11.608 -0.809 1.00 0.17 H new ATOM 0 HB THR A 31 61.121 11.571 -1.242 1.00 0.21 H new ATOM 0 HG1 THR A 31 61.139 12.435 0.957 1.00 0.28 H new ATOM 0 HG21 THR A 31 61.034 10.080 0.717 1.00 0.23 H new ATOM 0 HG22 THR A 31 61.965 9.364 -0.621 1.00 0.23 H new ATOM 0 HG23 THR A 31 62.813 10.063 0.779 1.00 0.23 H new ATOM 447 N SER A 32 64.241 9.741 -2.478 1.00 0.15 N ATOM 448 CA SER A 32 64.324 8.710 -3.553 1.00 0.16 C ATOM 449 C SER A 32 64.928 7.413 -3.014 1.00 0.16 C ATOM 450 O SER A 32 65.441 7.350 -1.915 1.00 0.17 O ATOM 451 CB SER A 32 65.187 9.243 -4.696 1.00 0.20 C ATOM 452 OG SER A 32 66.514 9.439 -4.227 1.00 0.27 O ATOM 0 H SER A 32 64.949 9.671 -1.747 1.00 0.15 H new ATOM 0 HA SER A 32 63.318 8.497 -3.915 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.183 8.540 -5.529 1.00 0.20 H new ATOM 0 HB3 SER A 32 64.778 10.182 -5.069 1.00 0.20 H new ATOM 0 HG SER A 32 66.761 10.382 -4.330 1.00 0.27 H new ATOM 458 N SER A 33 64.850 6.371 -3.800 1.00 0.16 N ATOM 459 CA SER A 33 65.390 5.043 -3.380 1.00 0.16 C ATOM 460 C SER A 33 66.173 4.411 -4.531 1.00 0.14 C ATOM 461 O SER A 33 65.858 4.593 -5.690 1.00 0.15 O ATOM 462 CB SER A 33 64.223 4.126 -3.003 1.00 0.18 C ATOM 463 OG SER A 33 63.610 4.610 -1.815 1.00 0.24 O ATOM 0 H SER A 33 64.429 6.384 -4.729 1.00 0.16 H new ATOM 0 HA SER A 33 66.053 5.177 -2.525 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.495 4.092 -3.814 1.00 0.18 H new ATOM 0 HB3 SER A 33 64.580 3.107 -2.853 1.00 0.18 H new ATOM 0 HG SER A 33 62.862 4.026 -1.572 1.00 0.24 H new ATOM 469 N ILE A 34 67.188 3.650 -4.210 1.00 0.14 N ATOM 470 CA ILE A 34 68.006 2.980 -5.264 1.00 0.14 C ATOM 471 C ILE A 34 68.465 1.613 -4.741 1.00 0.13 C ATOM 472 O ILE A 34 68.723 1.446 -3.566 1.00 0.16 O ATOM 473 CB ILE A 34 69.223 3.852 -5.589 1.00 0.17 C ATOM 474 CG1 ILE A 34 69.941 3.286 -6.817 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.184 3.880 -4.394 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.006 4.278 -7.287 1.00 0.28 C ATOM 0 H ILE A 34 67.487 3.463 -3.253 1.00 0.14 H new ATOM 0 HA ILE A 34 67.414 2.843 -6.169 1.00 0.14 H new ATOM 0 HB ILE A 34 68.890 4.869 -5.798 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.402 2.329 -6.573 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.224 3.099 -7.617 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.046 4.502 -4.635 1.00 0.17 H new ATOM 0 HG22 ILE A 34 69.671 4.291 -3.524 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.519 2.867 -4.172 1.00 0.17 H new ATOM 0 HD11 ILE A 34 71.518 3.876 -8.161 1.00 0.28 H new ATOM 0 HD12 ILE A 34 70.532 5.224 -7.548 1.00 0.28 H new ATOM 0 HD13 ILE A 34 71.728 4.442 -6.488 1.00 0.28 H new ATOM 488 N ASP A 35 68.558 0.628 -5.597 1.00 0.14 N ATOM 489 CA ASP A 35 68.982 -0.731 -5.135 1.00 0.14 C ATOM 490 C ASP A 35 70.513 -0.846 -5.153 1.00 0.13 C ATOM 491 O ASP A 35 71.141 -0.742 -6.187 1.00 0.14 O ATOM 492 CB ASP A 35 68.387 -1.791 -6.066 1.00 0.15 C ATOM 493 CG ASP A 35 68.534 -3.174 -5.421 1.00 0.16 C ATOM 494 OD1 ASP A 35 69.229 -3.270 -4.422 1.00 0.18 O ATOM 495 OD2 ASP A 35 67.949 -4.112 -5.937 1.00 0.20 O ATOM 0 H ASP A 35 68.359 0.704 -6.595 1.00 0.14 H new ATOM 0 HA ASP A 35 68.625 -0.885 -4.117 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.335 -1.576 -6.256 1.00 0.15 H new ATOM 0 HB3 ASP A 35 68.895 -1.771 -7.030 1.00 0.15 H new ATOM 500 N LEU A 36 71.110 -1.087 -4.015 1.00 0.13 N ATOM 501 CA LEU A 36 72.596 -1.239 -3.949 1.00 0.14 C ATOM 502 C LEU A 36 72.981 -2.637 -4.440 1.00 0.13 C ATOM 503 O LEU A 36 74.144 -2.971 -4.543 1.00 0.13 O ATOM 504 CB LEU A 36 73.064 -1.121 -2.496 1.00 0.16 C ATOM 505 CG LEU A 36 72.661 0.230 -1.890 1.00 0.17 C ATOM 506 CD1 LEU A 36 72.830 0.171 -0.362 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.551 1.345 -2.454 1.00 0.24 C ATOM 0 H LEU A 36 70.629 -1.186 -3.121 1.00 0.13 H new ATOM 0 HA LEU A 36 73.056 -0.466 -4.564 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.633 -1.930 -1.906 1.00 0.16 H new ATOM 0 HB3 LEU A 36 74.147 -1.234 -2.450 1.00 0.16 H new ATOM 0 HG LEU A 36 71.621 0.439 -2.142 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.545 1.129 0.073 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.194 -0.616 0.044 1.00 0.22 H new ATOM 0 HD13 LEU A 36 73.871 -0.042 -0.119 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.258 2.300 -2.018 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.593 1.139 -2.208 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.436 1.390 -3.537 1.00 0.24 H new ATOM 519 N ASN A 37 72.017 -3.463 -4.722 1.00 0.13 N ATOM 520 CA ASN A 37 72.330 -4.851 -5.166 1.00 0.12 C ATOM 521 C ASN A 37 73.159 -4.837 -6.453 1.00 0.11 C ATOM 522 O ASN A 37 74.046 -5.648 -6.633 1.00 0.11 O ATOM 523 CB ASN A 37 71.026 -5.615 -5.410 1.00 0.14 C ATOM 524 CG ASN A 37 71.351 -7.037 -5.863 1.00 0.15 C ATOM 525 OD1 ASN A 37 72.060 -7.232 -6.832 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.862 -8.043 -5.196 1.00 0.22 N ATOM 0 H ASN A 37 71.023 -3.239 -4.665 1.00 0.13 H new ATOM 0 HA ASN A 37 72.909 -5.342 -4.384 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.429 -5.639 -4.498 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.430 -5.107 -6.168 1.00 0.14 H new ATOM 0 HD21 ASN A 37 71.073 -8.998 -5.486 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.268 -7.876 -4.384 1.00 0.22 H new ATOM 533 N SER A 38 72.864 -3.958 -7.364 1.00 0.12 N ATOM 534 CA SER A 38 73.617 -3.930 -8.652 1.00 0.12 C ATOM 535 C SER A 38 75.054 -3.416 -8.476 1.00 0.12 C ATOM 536 O SER A 38 75.754 -3.237 -9.452 1.00 0.13 O ATOM 537 CB SER A 38 72.885 -3.017 -9.635 1.00 0.12 C ATOM 538 OG SER A 38 72.870 -1.690 -9.122 1.00 1.29 O ATOM 0 H SER A 38 72.132 -3.253 -7.275 1.00 0.12 H new ATOM 0 HA SER A 38 73.671 -4.952 -9.026 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.379 -3.038 -10.606 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.866 -3.371 -9.788 1.00 0.12 H new ATOM 0 HG SER A 38 72.403 -1.101 -9.751 1.00 1.29 H new ATOM 544 N VAL A 39 75.506 -3.134 -7.272 1.00 0.12 N ATOM 545 CA VAL A 39 76.909 -2.605 -7.115 1.00 0.13 C ATOM 546 C VAL A 39 77.660 -3.273 -5.942 1.00 0.14 C ATOM 547 O VAL A 39 78.829 -3.010 -5.745 1.00 0.16 O ATOM 548 CB VAL A 39 76.846 -1.082 -6.905 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.656 -0.382 -8.255 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.663 -0.738 -5.997 1.00 0.17 C ATOM 0 H VAL A 39 74.978 -3.244 -6.406 1.00 0.12 H new ATOM 0 HA VAL A 39 77.465 -2.842 -8.022 1.00 0.13 H new ATOM 0 HB VAL A 39 77.776 -0.747 -6.444 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.612 0.696 -8.103 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.493 -0.622 -8.910 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.727 -0.722 -8.714 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.620 0.341 -5.849 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.737 -1.078 -6.461 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.788 -1.232 -5.033 1.00 0.17 H new ATOM 560 N ILE A 40 77.022 -4.132 -5.170 1.00 0.14 N ATOM 561 CA ILE A 40 77.738 -4.801 -4.013 1.00 0.15 C ATOM 562 C ILE A 40 77.777 -6.326 -4.182 1.00 0.13 C ATOM 563 O ILE A 40 76.780 -6.965 -4.449 1.00 0.13 O ATOM 564 CB ILE A 40 77.045 -4.442 -2.693 1.00 0.17 C ATOM 565 CG1 ILE A 40 77.147 -2.931 -2.482 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.743 -5.150 -1.528 1.00 0.17 C ATOM 567 CD1 ILE A 40 76.241 -2.489 -1.330 1.00 0.27 C ATOM 0 H ILE A 40 76.045 -4.400 -5.286 1.00 0.14 H new ATOM 0 HA ILE A 40 78.765 -4.437 -3.999 1.00 0.15 H new ATOM 0 HB ILE A 40 76.002 -4.754 -2.734 1.00 0.17 H new ATOM 0 HG12 ILE A 40 78.180 -2.657 -2.266 1.00 0.24 H new ATOM 0 HG13 ILE A 40 76.863 -2.410 -3.396 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.245 -4.890 -0.594 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.695 -6.229 -1.677 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.786 -4.836 -1.483 1.00 0.17 H new ATOM 0 HD11 ILE A 40 76.326 -1.411 -1.193 1.00 0.27 H new ATOM 0 HD12 ILE A 40 75.207 -2.745 -1.561 1.00 0.27 H new ATOM 0 HD13 ILE A 40 76.544 -2.996 -0.414 1.00 0.27 H new ATOM 579 N GLU A 41 78.953 -6.901 -4.018 1.00 0.14 N ATOM 580 CA GLU A 41 79.135 -8.390 -4.148 1.00 0.13 C ATOM 581 C GLU A 41 79.778 -8.926 -2.865 1.00 0.12 C ATOM 582 O GLU A 41 80.438 -8.208 -2.149 1.00 0.12 O ATOM 583 CB GLU A 41 80.067 -8.680 -5.336 1.00 0.16 C ATOM 584 CG GLU A 41 80.675 -10.091 -5.237 1.00 0.19 C ATOM 585 CD GLU A 41 81.245 -10.502 -6.596 1.00 0.24 C ATOM 586 OE1 GLU A 41 81.514 -9.619 -7.394 1.00 0.33 O ATOM 587 OE2 GLU A 41 81.401 -11.692 -6.816 1.00 0.30 O ATOM 0 H GLU A 41 79.808 -6.391 -3.796 1.00 0.14 H new ATOM 0 HA GLU A 41 78.170 -8.870 -4.309 1.00 0.13 H new ATOM 0 HB2 GLU A 41 79.511 -8.586 -6.269 1.00 0.16 H new ATOM 0 HB3 GLU A 41 80.865 -7.939 -5.364 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.461 -10.107 -4.482 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.914 -10.804 -4.920 1.00 0.19 H new ATOM 594 N ASN A 42 79.621 -10.200 -2.598 1.00 0.12 N ATOM 595 CA ASN A 42 80.239 -10.827 -1.394 1.00 0.12 C ATOM 596 C ASN A 42 81.514 -11.558 -1.827 1.00 0.12 C ATOM 597 O ASN A 42 81.461 -12.481 -2.615 1.00 0.12 O ATOM 598 CB ASN A 42 79.246 -11.832 -0.805 1.00 0.14 C ATOM 599 CG ASN A 42 79.867 -12.526 0.408 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.955 -12.183 0.830 1.00 0.19 O ATOM 601 ND2 ASN A 42 79.217 -13.498 0.988 1.00 0.27 N ATOM 0 H ASN A 42 79.079 -10.842 -3.177 1.00 0.12 H new ATOM 0 HA ASN A 42 80.484 -10.072 -0.647 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.328 -11.321 -0.513 1.00 0.14 H new ATOM 0 HB3 ASN A 42 78.973 -12.571 -1.558 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.621 -13.971 1.796 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.305 -13.785 0.633 1.00 0.27 H new ATOM 608 N VAL A 43 82.661 -11.163 -1.314 1.00 0.12 N ATOM 609 CA VAL A 43 83.945 -11.848 -1.700 1.00 0.14 C ATOM 610 C VAL A 43 84.493 -12.643 -0.511 1.00 0.13 C ATOM 611 O VAL A 43 85.160 -12.124 0.361 1.00 0.13 O ATOM 612 CB VAL A 43 84.979 -10.802 -2.136 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.335 -11.481 -2.365 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.519 -10.142 -3.441 1.00 0.22 C ATOM 0 H VAL A 43 82.764 -10.398 -0.647 1.00 0.12 H new ATOM 0 HA VAL A 43 83.747 -12.530 -2.527 1.00 0.14 H new ATOM 0 HB VAL A 43 85.077 -10.047 -1.356 1.00 0.16 H new ATOM 0 HG11 VAL A 43 87.067 -10.736 -2.675 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.666 -11.953 -1.440 1.00 0.21 H new ATOM 0 HG13 VAL A 43 86.236 -12.238 -3.143 1.00 0.21 H new ATOM 0 HG21 VAL A 43 85.253 -9.399 -3.751 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.420 -10.901 -4.217 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.556 -9.657 -3.283 1.00 0.22 H new ATOM 624 N ASP A 44 84.231 -13.916 -0.510 1.00 0.13 N ATOM 625 CA ASP A 44 84.738 -14.819 0.561 1.00 0.14 C ATOM 626 C ASP A 44 84.487 -14.245 1.959 1.00 0.13 C ATOM 627 O ASP A 44 85.317 -14.381 2.836 1.00 0.14 O ATOM 628 CB ASP A 44 86.238 -15.047 0.354 1.00 0.16 C ATOM 629 CG ASP A 44 86.718 -16.177 1.271 1.00 0.17 C ATOM 630 OD1 ASP A 44 85.978 -16.541 2.169 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.820 -16.657 1.059 1.00 0.23 O ATOM 0 H ASP A 44 83.672 -14.383 -1.224 1.00 0.13 H new ATOM 0 HA ASP A 44 84.198 -15.764 0.495 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.437 -15.301 -0.687 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.788 -14.131 0.570 1.00 0.16 H new ATOM 636 N GLY A 45 83.341 -13.640 2.193 1.00 0.14 N ATOM 637 CA GLY A 45 83.037 -13.102 3.566 1.00 0.16 C ATOM 638 C GLY A 45 82.897 -11.572 3.604 1.00 0.14 C ATOM 639 O GLY A 45 82.375 -11.047 4.568 1.00 0.13 O ATOM 0 H GLY A 45 82.608 -13.496 1.499 1.00 0.14 H new ATOM 0 HA2 GLY A 45 82.113 -13.553 3.929 1.00 0.16 H new ATOM 0 HA3 GLY A 45 83.830 -13.404 4.250 1.00 0.16 H new ATOM 643 N SER A 46 83.387 -10.833 2.630 1.00 0.14 N ATOM 644 CA SER A 46 83.312 -9.328 2.707 1.00 0.14 C ATOM 645 C SER A 46 82.531 -8.723 1.541 1.00 0.13 C ATOM 646 O SER A 46 82.655 -9.137 0.406 1.00 0.15 O ATOM 647 CB SER A 46 84.736 -8.775 2.665 1.00 0.16 C ATOM 648 OG SER A 46 85.365 -9.193 1.461 1.00 1.34 O ATOM 0 H SER A 46 83.833 -11.201 1.790 1.00 0.14 H new ATOM 0 HA SER A 46 82.796 -9.065 3.630 1.00 0.14 H new ATOM 0 HB2 SER A 46 84.718 -7.687 2.721 1.00 0.16 H new ATOM 0 HB3 SER A 46 85.302 -9.129 3.527 1.00 0.16 H new ATOM 0 HG SER A 46 86.278 -8.839 1.429 1.00 1.34 H new ATOM 654 N LEU A 47 81.767 -7.696 1.818 1.00 0.12 N ATOM 655 CA LEU A 47 81.009 -6.999 0.743 1.00 0.12 C ATOM 656 C LEU A 47 81.964 -6.066 -0.009 1.00 0.13 C ATOM 657 O LEU A 47 82.655 -5.265 0.589 1.00 0.15 O ATOM 658 CB LEU A 47 79.878 -6.166 1.364 1.00 0.14 C ATOM 659 CG LEU A 47 78.923 -7.077 2.146 1.00 0.15 C ATOM 660 CD1 LEU A 47 77.817 -6.224 2.774 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.299 -8.122 1.202 1.00 0.25 C ATOM 0 H LEU A 47 81.637 -7.310 2.753 1.00 0.12 H new ATOM 0 HA LEU A 47 80.583 -7.733 0.059 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.295 -5.408 2.027 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.332 -5.639 0.582 1.00 0.14 H new ATOM 0 HG LEU A 47 79.477 -7.596 2.928 1.00 0.15 H new ATOM 0 HD11 LEU A 47 77.135 -6.866 3.331 1.00 0.25 H new ATOM 0 HD12 LEU A 47 78.261 -5.493 3.450 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.267 -5.705 1.989 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.623 -8.764 1.766 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.744 -7.614 0.413 1.00 0.25 H new ATOM 0 HD23 LEU A 47 79.088 -8.728 0.758 1.00 0.25 H new ATOM 673 N LYS A 48 82.001 -6.164 -1.320 1.00 0.13 N ATOM 674 CA LYS A 48 82.910 -5.285 -2.135 1.00 0.16 C ATOM 675 C LYS A 48 82.087 -4.514 -3.167 1.00 0.15 C ATOM 676 O LYS A 48 80.976 -4.876 -3.482 1.00 0.14 O ATOM 677 CB LYS A 48 83.955 -6.138 -2.866 1.00 0.21 C ATOM 678 CG LYS A 48 84.810 -6.917 -1.851 1.00 0.28 C ATOM 679 CD LYS A 48 86.172 -7.285 -2.477 1.00 0.87 C ATOM 680 CE LYS A 48 87.180 -6.155 -2.249 1.00 1.19 C ATOM 681 NZ LYS A 48 88.469 -6.511 -2.906 1.00 1.84 N ATOM 0 H LYS A 48 81.438 -6.818 -1.864 1.00 0.13 H new ATOM 0 HA LYS A 48 83.416 -4.588 -1.467 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.458 -6.833 -3.543 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.594 -5.500 -3.476 1.00 0.21 H new ATOM 0 HG2 LYS A 48 84.963 -6.315 -0.955 1.00 0.28 H new ATOM 0 HG3 LYS A 48 84.287 -7.822 -1.542 1.00 0.28 H new ATOM 0 HD2 LYS A 48 86.545 -8.210 -2.037 1.00 0.87 H new ATOM 0 HD3 LYS A 48 86.053 -7.466 -3.545 1.00 0.87 H new ATOM 0 HE2 LYS A 48 86.796 -5.220 -2.657 1.00 1.19 H new ATOM 0 HE3 LYS A 48 87.333 -5.998 -1.181 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 89.158 -5.747 -2.755 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 88.835 -7.394 -2.496 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 88.314 -6.641 -3.926 1.00 1.84 H new ATOM 695 N TRP A 49 82.632 -3.455 -3.699 1.00 0.14 N ATOM 696 CA TRP A 49 81.876 -2.648 -4.708 1.00 0.13 C ATOM 697 C TRP A 49 81.866 -3.358 -6.071 1.00 0.13 C ATOM 698 O TRP A 49 82.645 -3.037 -6.947 1.00 0.13 O ATOM 699 CB TRP A 49 82.544 -1.273 -4.865 1.00 0.13 C ATOM 700 CG TRP A 49 82.177 -0.401 -3.710 1.00 0.13 C ATOM 701 CD1 TRP A 49 83.019 -0.006 -2.728 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.880 0.177 -3.397 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.321 0.790 -1.837 1.00 0.14 N ATOM 704 CE2 TRP A 49 80.996 0.932 -2.209 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.626 0.121 -4.030 1.00 0.18 C ATOM 706 CZ2 TRP A 49 79.905 1.611 -1.671 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.524 0.801 -3.488 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.664 1.549 -2.313 1.00 0.20 C ATOM 0 H TRP A 49 83.567 -3.111 -3.481 1.00 0.14 H new ATOM 0 HA TRP A 49 80.849 -2.531 -4.361 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.627 -1.388 -4.917 1.00 0.13 H new ATOM 0 HB3 TRP A 49 82.227 -0.809 -5.799 1.00 0.13 H new ATOM 0 HD1 TRP A 49 84.064 -0.269 -2.652 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.733 1.219 -1.008 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.510 -0.449 -4.940 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 80.017 2.183 -0.762 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.564 0.747 -3.980 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.816 2.077 -1.903 1.00 0.20 H new ATOM 719 N GLN A 50 80.993 -4.313 -6.259 1.00 0.12 N ATOM 720 CA GLN A 50 80.931 -5.037 -7.568 1.00 0.13 C ATOM 721 C GLN A 50 79.601 -5.823 -7.611 1.00 0.12 C ATOM 722 O GLN A 50 79.211 -6.398 -6.621 1.00 0.13 O ATOM 723 CB GLN A 50 82.127 -6.001 -7.654 1.00 0.16 C ATOM 724 CG GLN A 50 82.332 -6.487 -9.088 1.00 0.26 C ATOM 725 CD GLN A 50 83.595 -7.349 -9.155 1.00 1.10 C ATOM 726 OE1 GLN A 50 84.622 -6.906 -9.630 1.00 1.88 O ATOM 727 NE2 GLN A 50 83.561 -8.572 -8.700 1.00 1.92 N ATOM 0 H GLN A 50 80.317 -4.625 -5.562 1.00 0.12 H new ATOM 0 HA GLN A 50 80.975 -4.344 -8.408 1.00 0.13 H new ATOM 0 HB2 GLN A 50 83.029 -5.500 -7.303 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.960 -6.854 -6.997 1.00 0.16 H new ATOM 0 HG2 GLN A 50 81.467 -7.063 -9.416 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.423 -5.636 -9.763 1.00 0.26 H new ATOM 0 HE21 GLN A 50 82.699 -8.944 -8.301 1.00 1.92 H new ATOM 0 HE22 GLN A 50 84.396 -9.156 -8.743 1.00 1.92 H new ATOM 736 N PRO A 51 78.881 -5.829 -8.722 1.00 0.11 N ATOM 737 CA PRO A 51 77.565 -6.553 -8.813 1.00 0.11 C ATOM 738 C PRO A 51 77.684 -8.085 -8.695 1.00 0.12 C ATOM 739 O PRO A 51 78.578 -8.691 -9.250 1.00 0.14 O ATOM 740 CB PRO A 51 77.019 -6.165 -10.204 1.00 0.13 C ATOM 741 CG PRO A 51 78.213 -5.732 -10.996 1.00 0.15 C ATOM 742 CD PRO A 51 79.215 -5.152 -9.994 1.00 0.14 C ATOM 0 HA PRO A 51 76.916 -6.269 -7.984 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.518 -7.009 -10.678 1.00 0.13 H new ATOM 0 HB3 PRO A 51 76.286 -5.362 -10.128 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.647 -6.574 -11.535 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.934 -4.987 -11.741 1.00 0.15 H new ATOM 0 HD2 PRO A 51 80.243 -5.353 -10.295 1.00 0.14 H new ATOM 0 HD3 PRO A 51 79.114 -4.070 -9.909 1.00 0.14 H new ATOM 750 N SER A 52 76.749 -8.700 -8.001 1.00 0.11 N ATOM 751 CA SER A 52 76.738 -10.192 -7.848 1.00 0.12 C ATOM 752 C SER A 52 75.553 -10.604 -6.967 1.00 0.15 C ATOM 753 O SER A 52 75.477 -11.728 -6.514 1.00 0.32 O ATOM 754 CB SER A 52 78.017 -10.687 -7.175 1.00 0.12 C ATOM 755 OG SER A 52 78.045 -12.108 -7.216 1.00 0.29 O ATOM 0 H SER A 52 75.982 -8.222 -7.528 1.00 0.11 H new ATOM 0 HA SER A 52 76.660 -10.630 -8.843 1.00 0.12 H new ATOM 0 HB2 SER A 52 78.891 -10.279 -7.683 1.00 0.12 H new ATOM 0 HB3 SER A 52 78.057 -10.340 -6.143 1.00 0.12 H new ATOM 0 HG SER A 52 77.174 -12.461 -6.938 1.00 0.29 H new ATOM 761 N ASN A 53 74.639 -9.707 -6.708 1.00 0.16 N ATOM 762 CA ASN A 53 73.469 -10.059 -5.849 1.00 0.16 C ATOM 763 C ASN A 53 73.959 -10.495 -4.461 1.00 0.10 C ATOM 764 O ASN A 53 73.778 -11.624 -4.055 1.00 0.12 O ATOM 765 CB ASN A 53 72.670 -11.192 -6.504 1.00 0.23 C ATOM 766 CG ASN A 53 71.293 -11.292 -5.846 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.961 -10.504 -4.983 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.474 -12.236 -6.218 1.00 0.48 N ATOM 0 H ASN A 53 74.651 -8.747 -7.053 1.00 0.16 H new ATOM 0 HA ASN A 53 72.825 -9.187 -5.740 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.562 -11.004 -7.572 1.00 0.23 H new ATOM 0 HB3 ASN A 53 73.204 -12.136 -6.399 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.554 -12.313 -5.784 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.753 -12.897 -6.943 1.00 0.48 H new ATOM 775 N PHE A 54 74.602 -9.611 -3.745 1.00 0.09 N ATOM 776 CA PHE A 54 75.135 -9.975 -2.392 1.00 0.09 C ATOM 777 C PHE A 54 74.004 -10.413 -1.451 1.00 0.09 C ATOM 778 O PHE A 54 74.137 -11.363 -0.705 1.00 0.14 O ATOM 779 CB PHE A 54 75.870 -8.766 -1.782 1.00 0.11 C ATOM 780 CG PHE A 54 74.886 -7.768 -1.197 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.293 -6.792 -2.011 1.00 0.12 C ATOM 782 CD2 PHE A 54 74.575 -7.821 0.170 1.00 0.11 C ATOM 783 CE1 PHE A 54 73.389 -5.871 -1.455 1.00 0.13 C ATOM 784 CE2 PHE A 54 73.674 -6.901 0.723 1.00 0.12 C ATOM 785 CZ PHE A 54 73.082 -5.926 -0.090 1.00 0.12 C ATOM 0 H PHE A 54 74.783 -8.650 -4.036 1.00 0.09 H new ATOM 0 HA PHE A 54 75.826 -10.809 -2.512 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.554 -9.106 -1.004 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.475 -8.280 -2.547 1.00 0.11 H new ATOM 0 HD1 PHE A 54 74.531 -6.748 -3.064 1.00 0.12 H new ATOM 0 HD2 PHE A 54 75.031 -8.572 0.798 1.00 0.11 H new ATOM 0 HE1 PHE A 54 72.931 -5.120 -2.081 1.00 0.13 H new ATOM 0 HE2 PHE A 54 73.436 -6.944 1.776 1.00 0.12 H new ATOM 0 HZ PHE A 54 72.388 -5.216 0.336 1.00 0.12 H new ATOM 795 N ILE A 55 72.907 -9.714 -1.463 1.00 11.77 N ATOM 796 CA ILE A 55 71.785 -10.070 -0.551 1.00 13.68 C ATOM 797 C ILE A 55 71.399 -11.541 -0.736 1.00 0.11 C ATOM 798 O ILE A 55 70.844 -12.160 0.150 1.00 0.12 O ATOM 799 CB ILE A 55 70.606 -9.122 -0.818 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.350 -9.577 -0.061 1.00 16.46 C ATOM 801 CG2 ILE A 55 70.303 -9.027 -2.312 1.00 20.33 C ATOM 802 CD1 ILE A 55 69.633 -9.621 1.443 1.00 19.63 C ATOM 0 H ILE A 55 72.737 -8.909 -2.066 1.00 11.77 H new ATOM 0 HA ILE A 55 72.090 -9.951 0.489 1.00 13.68 H new ATOM 0 HB ILE A 55 70.895 -8.135 -0.457 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.525 -8.894 -0.264 1.00 16.46 H new ATOM 0 HG13 ILE A 55 69.042 -10.562 -0.410 1.00 16.46 H new ATOM 0 HG21 ILE A 55 69.464 -8.349 -2.471 1.00 20.33 H new ATOM 0 HG22 ILE A 55 71.180 -8.649 -2.838 1.00 20.33 H new ATOM 0 HG23 ILE A 55 70.049 -10.015 -2.695 1.00 20.33 H new ATOM 0 HD11 ILE A 55 68.737 -9.945 1.973 1.00 19.63 H new ATOM 0 HD12 ILE A 55 70.444 -10.322 1.640 1.00 19.63 H new ATOM 0 HD13 ILE A 55 69.920 -8.628 1.788 1.00 19.63 H new ATOM 814 N GLU A 56 71.701 -12.115 -1.863 1.00 0.13 N ATOM 815 CA GLU A 56 71.361 -13.553 -2.070 1.00 0.15 C ATOM 816 C GLU A 56 72.128 -14.399 -1.047 1.00 0.13 C ATOM 817 O GLU A 56 71.652 -15.430 -0.614 1.00 0.14 O ATOM 818 CB GLU A 56 71.753 -13.982 -3.485 1.00 0.19 C ATOM 819 CG GLU A 56 71.291 -15.421 -3.729 1.00 0.23 C ATOM 820 CD GLU A 56 71.671 -15.844 -5.150 1.00 1.10 C ATOM 821 OE1 GLU A 56 72.079 -14.983 -5.913 1.00 1.62 O ATOM 822 OE2 GLU A 56 71.550 -17.020 -5.449 1.00 1.40 O ATOM 0 H GLU A 56 72.166 -11.657 -2.647 1.00 0.13 H new ATOM 0 HA GLU A 56 70.288 -13.696 -1.940 1.00 0.15 H new ATOM 0 HB2 GLU A 56 71.300 -13.314 -4.218 1.00 0.19 H new ATOM 0 HB3 GLU A 56 72.833 -13.909 -3.612 1.00 0.19 H new ATOM 0 HG2 GLU A 56 71.752 -16.091 -3.003 1.00 0.23 H new ATOM 0 HG3 GLU A 56 70.212 -15.496 -3.592 1.00 0.23 H new ATOM 829 N THR A 57 73.316 -13.981 -0.672 1.00 0.12 N ATOM 830 CA THR A 57 74.120 -14.786 0.321 1.00 0.11 C ATOM 831 C THR A 57 74.369 -13.976 1.597 1.00 0.11 C ATOM 832 O THR A 57 75.252 -14.290 2.370 1.00 0.11 O ATOM 833 CB THR A 57 75.464 -15.189 -0.295 1.00 0.13 C ATOM 834 OG1 THR A 57 76.275 -14.034 -0.467 1.00 0.14 O ATOM 835 CG2 THR A 57 75.230 -15.859 -1.651 1.00 0.18 C ATOM 0 H THR A 57 73.764 -13.127 -1.004 1.00 0.12 H new ATOM 0 HA THR A 57 73.552 -15.681 0.575 1.00 0.11 H new ATOM 0 HB THR A 57 75.969 -15.890 0.370 1.00 0.13 H new ATOM 0 HG1 THR A 57 77.064 -14.265 -1.001 1.00 0.14 H new ATOM 0 HG21 THR A 57 76.188 -16.144 -2.086 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.614 -16.748 -1.516 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.722 -15.163 -2.318 1.00 0.18 H new ATOM 843 N CYS A 58 73.604 -12.942 1.835 1.00 0.10 N ATOM 844 CA CYS A 58 73.799 -12.119 3.072 1.00 0.11 C ATOM 845 C CYS A 58 72.439 -11.834 3.713 1.00 0.10 C ATOM 846 O CYS A 58 71.412 -11.903 3.070 1.00 0.10 O ATOM 847 CB CYS A 58 74.481 -10.803 2.700 1.00 0.11 C ATOM 848 SG CYS A 58 76.153 -11.149 2.090 1.00 0.12 S ATOM 0 H CYS A 58 72.849 -12.629 1.225 1.00 0.10 H new ATOM 0 HA CYS A 58 74.424 -12.662 3.781 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.903 -10.283 1.936 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.527 -10.145 3.568 1.00 0.11 H new ATOM 853 N ARG A 59 72.423 -11.562 4.993 1.00 0.11 N ATOM 854 CA ARG A 59 71.125 -11.313 5.697 1.00 0.11 C ATOM 855 C ARG A 59 71.280 -10.199 6.738 1.00 0.12 C ATOM 856 O ARG A 59 72.355 -9.679 6.964 1.00 0.12 O ATOM 857 CB ARG A 59 70.693 -12.594 6.419 1.00 0.12 C ATOM 858 CG ARG A 59 71.721 -12.944 7.501 1.00 0.15 C ATOM 859 CD ARG A 59 71.429 -14.337 8.062 1.00 0.17 C ATOM 860 NE ARG A 59 72.424 -14.663 9.122 1.00 0.25 N ATOM 861 CZ ARG A 59 72.192 -15.636 9.960 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.079 -16.313 9.885 1.00 0.31 N ATOM 863 NH2 ARG A 59 73.075 -15.927 10.878 1.00 0.39 N ATOM 0 H ARG A 59 73.253 -11.501 5.583 1.00 0.11 H new ATOM 0 HA ARG A 59 70.381 -11.014 4.959 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.709 -12.457 6.868 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.606 -13.414 5.706 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.727 -12.914 7.083 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.686 -12.205 8.301 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.420 -14.371 8.472 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.474 -15.079 7.265 1.00 0.17 H new ATOM 0 HE ARG A 59 73.288 -14.125 9.193 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.389 -16.082 9.171 1.00 0.31 H new ATOM 0 HH12 ARG A 59 70.899 -17.073 10.541 1.00 0.31 H new ATOM 0 HH21 ARG A 59 73.943 -15.394 10.938 1.00 0.39 H new ATOM 0 HH22 ARG A 59 72.897 -16.687 11.535 1.00 0.39 H new ATOM 877 N ASN A 60 70.203 -9.872 7.404 1.00 0.12 N ATOM 878 CA ASN A 60 70.244 -8.834 8.479 1.00 0.13 C ATOM 879 C ASN A 60 70.955 -7.560 8.007 1.00 0.12 C ATOM 880 O ASN A 60 71.829 -7.049 8.678 1.00 0.13 O ATOM 881 CB ASN A 60 70.962 -9.403 9.706 1.00 0.13 C ATOM 882 CG ASN A 60 70.649 -8.547 10.936 1.00 0.18 C ATOM 883 OD1 ASN A 60 69.626 -7.895 10.994 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.493 -8.530 11.933 1.00 1.14 N ATOM 0 H ASN A 60 69.284 -10.286 7.247 1.00 0.12 H new ATOM 0 HA ASN A 60 69.218 -8.568 8.735 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.646 -10.432 9.878 1.00 0.13 H new ATOM 0 HB3 ASN A 60 72.038 -9.425 9.531 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.293 -7.969 12.761 1.00 1.14 H new ATOM 0 HD22 ASN A 60 72.352 -9.078 11.883 1.00 1.14 H new ATOM 891 N THR A 61 70.573 -7.018 6.881 1.00 0.12 N ATOM 892 CA THR A 61 71.218 -5.751 6.428 1.00 0.12 C ATOM 893 C THR A 61 70.636 -4.595 7.251 1.00 0.11 C ATOM 894 O THR A 61 69.437 -4.494 7.420 1.00 0.11 O ATOM 895 CB THR A 61 70.921 -5.496 4.946 1.00 0.14 C ATOM 896 OG1 THR A 61 69.517 -5.503 4.738 1.00 0.22 O ATOM 897 CG2 THR A 61 71.571 -6.566 4.067 1.00 0.24 C ATOM 0 H THR A 61 69.853 -7.391 6.263 1.00 0.12 H new ATOM 0 HA THR A 61 72.297 -5.827 6.564 1.00 0.12 H new ATOM 0 HB THR A 61 71.334 -4.525 4.672 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.289 -4.875 4.021 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.346 -6.363 3.020 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.651 -6.552 4.215 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.180 -7.547 4.339 1.00 0.24 H new ATOM 905 N GLN A 62 71.465 -3.724 7.776 1.00 9.83 N ATOM 906 CA GLN A 62 70.926 -2.589 8.598 1.00 11.89 C ATOM 907 C GLN A 62 71.812 -1.349 8.463 1.00 11.16 C ATOM 908 O GLN A 62 72.903 -1.401 7.928 1.00 9.58 O ATOM 909 CB GLN A 62 70.883 -3.006 10.071 1.00 13.81 C ATOM 910 CG GLN A 62 72.288 -3.406 10.540 1.00 19.41 C ATOM 911 CD GLN A 62 72.243 -3.782 12.022 1.00 22.33 C ATOM 912 OE1 GLN A 62 71.281 -4.359 12.488 1.00 28.20 O ATOM 913 NE2 GLN A 62 73.255 -3.476 12.787 1.00 24.17 N ATOM 0 H GLN A 62 72.480 -3.747 7.674 1.00 9.83 H new ATOM 0 HA GLN A 62 69.925 -2.349 8.239 1.00 11.89 H new ATOM 0 HB2 GLN A 62 70.507 -2.184 10.680 1.00 13.81 H new ATOM 0 HB3 GLN A 62 70.195 -3.841 10.202 1.00 13.81 H new ATOM 0 HG2 GLN A 62 72.654 -4.247 9.951 1.00 19.41 H new ATOM 0 HG3 GLN A 62 72.984 -2.581 10.384 1.00 19.41 H new ATOM 0 HE21 GLN A 62 74.062 -2.992 12.395 1.00 24.17 H new ATOM 0 HE22 GLN A 62 73.239 -3.721 13.777 1.00 24.17 H new ATOM 922 N LEU A 63 71.341 -0.231 8.958 1.00 0.12 N ATOM 923 CA LEU A 63 72.134 1.031 8.882 1.00 0.13 C ATOM 924 C LEU A 63 73.030 1.135 10.117 1.00 0.13 C ATOM 925 O LEU A 63 72.566 1.099 11.239 1.00 0.14 O ATOM 926 CB LEU A 63 71.167 2.228 8.819 1.00 0.15 C ATOM 927 CG LEU A 63 71.934 3.559 8.741 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.661 3.677 7.395 1.00 0.18 C ATOM 929 CD2 LEU A 63 70.937 4.716 8.884 1.00 0.21 C ATOM 0 H LEU A 63 70.434 -0.140 9.415 1.00 0.12 H new ATOM 0 HA LEU A 63 72.760 1.031 7.990 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.517 2.128 7.950 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.524 2.227 9.699 1.00 0.15 H new ATOM 0 HG LEU A 63 72.672 3.596 9.543 1.00 0.18 H new ATOM 0 HD11 LEU A 63 73.199 4.624 7.354 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.367 2.853 7.289 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.934 3.638 6.584 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.471 5.665 8.830 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.204 4.666 8.079 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.427 4.640 9.845 1.00 0.21 H new ATOM 941 N ALA A 64 74.316 1.270 9.908 1.00 0.12 N ATOM 942 CA ALA A 64 75.275 1.385 11.050 1.00 0.14 C ATOM 943 C ALA A 64 75.982 2.739 10.968 1.00 0.14 C ATOM 944 O ALA A 64 76.523 3.106 9.946 1.00 0.15 O ATOM 945 CB ALA A 64 76.321 0.272 10.947 1.00 0.14 C ATOM 0 H ALA A 64 74.747 1.306 8.984 1.00 0.12 H new ATOM 0 HA ALA A 64 74.737 1.298 11.994 1.00 0.14 H new ATOM 0 HB1 ALA A 64 77.022 0.353 11.778 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.825 -0.698 10.984 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.862 0.367 10.006 1.00 0.14 H new ATOM 951 N GLY A 65 75.988 3.480 12.040 1.00 0.16 N ATOM 952 CA GLY A 65 76.675 4.803 12.032 1.00 0.17 C ATOM 953 C GLY A 65 75.965 5.768 11.080 1.00 0.17 C ATOM 954 O GLY A 65 74.776 5.673 10.848 1.00 0.17 O ATOM 0 H GLY A 65 75.546 3.227 12.924 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.687 5.219 13.039 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.714 4.679 11.726 1.00 0.17 H new ATOM 958 N SER A 66 76.694 6.705 10.539 1.00 0.18 N ATOM 959 CA SER A 66 76.090 7.703 9.609 1.00 0.18 C ATOM 960 C SER A 66 76.160 7.215 8.159 1.00 0.17 C ATOM 961 O SER A 66 75.251 7.445 7.386 1.00 0.16 O ATOM 962 CB SER A 66 76.863 9.017 9.727 1.00 0.21 C ATOM 963 OG SER A 66 78.211 8.806 9.327 1.00 1.19 O ATOM 0 H SER A 66 77.694 6.824 10.703 1.00 0.18 H new ATOM 0 HA SER A 66 75.043 7.843 9.879 1.00 0.18 H new ATOM 0 HB2 SER A 66 76.401 9.781 9.102 1.00 0.21 H new ATOM 0 HB3 SER A 66 76.829 9.382 10.754 1.00 0.21 H new ATOM 0 HG SER A 66 78.709 9.647 9.400 1.00 1.19 H new ATOM 969 N SER A 67 77.241 6.576 7.769 1.00 0.17 N ATOM 970 CA SER A 67 77.370 6.120 6.343 1.00 0.17 C ATOM 971 C SER A 67 77.835 4.665 6.240 1.00 0.16 C ATOM 972 O SER A 67 78.157 4.202 5.165 1.00 0.17 O ATOM 973 CB SER A 67 78.413 6.996 5.654 1.00 0.19 C ATOM 974 OG SER A 67 79.693 6.729 6.210 1.00 0.20 O ATOM 0 H SER A 67 78.034 6.352 8.370 1.00 0.17 H new ATOM 0 HA SER A 67 76.389 6.199 5.875 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.421 6.797 4.582 1.00 0.19 H new ATOM 0 HB3 SER A 67 78.161 8.049 5.781 1.00 0.19 H new ATOM 0 HG SER A 67 80.367 7.277 5.756 1.00 0.20 H new ATOM 980 N GLU A 68 77.912 3.936 7.326 1.00 0.15 N ATOM 981 CA GLU A 68 78.402 2.524 7.240 1.00 0.15 C ATOM 982 C GLU A 68 77.236 1.535 7.180 1.00 0.13 C ATOM 983 O GLU A 68 76.264 1.649 7.901 1.00 0.13 O ATOM 984 CB GLU A 68 79.249 2.218 8.476 1.00 0.16 C ATOM 985 CG GLU A 68 80.552 3.015 8.412 1.00 0.22 C ATOM 986 CD GLU A 68 81.393 2.707 9.653 1.00 1.15 C ATOM 987 OE1 GLU A 68 80.870 2.072 10.555 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.543 3.111 9.681 1.00 1.37 O ATOM 0 H GLU A 68 77.659 4.254 8.262 1.00 0.15 H new ATOM 0 HA GLU A 68 78.992 2.417 6.330 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.697 2.475 9.380 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.465 1.151 8.527 1.00 0.16 H new ATOM 0 HG2 GLU A 68 81.106 2.757 7.510 1.00 0.22 H new ATOM 0 HG3 GLU A 68 80.337 4.082 8.360 1.00 0.22 H new ATOM 995 N LEU A 69 77.359 0.540 6.339 1.00 0.13 N ATOM 996 CA LEU A 69 76.306 -0.516 6.213 1.00 0.12 C ATOM 997 C LEU A 69 76.871 -1.803 6.812 1.00 0.13 C ATOM 998 O LEU A 69 77.884 -2.311 6.375 1.00 0.14 O ATOM 999 CB LEU A 69 75.956 -0.701 4.721 1.00 0.14 C ATOM 1000 CG LEU A 69 75.307 -2.073 4.451 1.00 0.14 C ATOM 1001 CD1 LEU A 69 74.151 -2.347 5.433 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.772 -2.082 3.014 1.00 0.18 C ATOM 0 H LEU A 69 78.161 0.412 5.722 1.00 0.13 H new ATOM 0 HA LEU A 69 75.394 -0.239 6.741 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.276 0.091 4.406 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.860 -0.602 4.121 1.00 0.14 H new ATOM 0 HG LEU A 69 76.056 -2.853 4.589 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.714 -3.322 5.217 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.531 -2.338 6.454 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.389 -1.575 5.323 1.00 0.15 H new ATOM 0 HD21 LEU A 69 74.309 -3.046 2.804 1.00 0.18 H new ATOM 0 HD22 LEU A 69 74.032 -1.290 2.896 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.595 -1.916 2.318 1.00 0.18 H new ATOM 1014 N ALA A 70 76.225 -2.319 7.828 1.00 0.12 N ATOM 1015 CA ALA A 70 76.712 -3.566 8.493 1.00 0.12 C ATOM 1016 C ALA A 70 75.760 -4.711 8.153 1.00 0.12 C ATOM 1017 O ALA A 70 74.558 -4.546 8.107 1.00 0.13 O ATOM 1018 CB ALA A 70 76.735 -3.327 10.005 1.00 0.15 C ATOM 0 H ALA A 70 75.373 -1.926 8.228 1.00 0.12 H new ATOM 0 HA ALA A 70 77.714 -3.824 8.150 1.00 0.12 H new ATOM 0 HB1 ALA A 70 77.088 -4.226 10.510 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.404 -2.497 10.232 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.729 -3.088 10.351 1.00 0.15 H new ATOM 1024 N ALA A 71 76.297 -5.870 7.910 1.00 0.12 N ATOM 1025 CA ALA A 71 75.447 -7.042 7.565 1.00 0.13 C ATOM 1026 C ALA A 71 76.205 -8.320 7.913 1.00 0.13 C ATOM 1027 O ALA A 71 77.360 -8.282 8.290 1.00 0.14 O ATOM 1028 CB ALA A 71 75.176 -7.079 6.059 1.00 0.15 C ATOM 0 H ALA A 71 77.299 -6.059 7.936 1.00 0.12 H new ATOM 0 HA ALA A 71 74.510 -6.964 8.116 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.553 -7.942 5.822 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.661 -6.166 5.760 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.121 -7.155 5.521 1.00 0.15 H new ATOM 1034 N GLU A 72 75.572 -9.458 7.752 1.00 0.13 N ATOM 1035 CA GLU A 72 76.248 -10.763 8.021 1.00 0.12 C ATOM 1036 C GLU A 72 76.331 -11.494 6.679 1.00 0.12 C ATOM 1037 O GLU A 72 75.359 -11.543 5.950 1.00 0.11 O ATOM 1038 CB GLU A 72 75.408 -11.572 9.015 1.00 0.14 C ATOM 1039 CG GLU A 72 75.347 -10.829 10.352 1.00 0.18 C ATOM 1040 CD GLU A 72 74.327 -11.507 11.267 1.00 0.20 C ATOM 1041 OE1 GLU A 72 73.778 -12.518 10.862 1.00 0.29 O ATOM 1042 OE2 GLU A 72 74.103 -10.998 12.353 1.00 0.36 O ATOM 0 H GLU A 72 74.604 -9.537 7.442 1.00 0.13 H new ATOM 0 HA GLU A 72 77.241 -10.624 8.449 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.402 -11.720 8.622 1.00 0.14 H new ATOM 0 HB3 GLU A 72 75.844 -12.561 9.156 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.330 -10.827 10.824 1.00 0.18 H new ATOM 0 HG3 GLU A 72 75.069 -9.788 10.189 1.00 0.18 H new ATOM 1049 N CYS A 73 77.473 -12.041 6.321 1.00 0.12 N ATOM 1050 CA CYS A 73 77.585 -12.732 4.988 1.00 0.12 C ATOM 1051 C CYS A 73 78.268 -14.095 5.116 1.00 0.12 C ATOM 1052 O CYS A 73 79.103 -14.323 5.971 1.00 0.13 O ATOM 1053 CB CYS A 73 78.390 -11.849 4.032 1.00 0.13 C ATOM 1054 SG CYS A 73 77.378 -10.431 3.530 1.00 0.14 S ATOM 0 H CYS A 73 78.323 -12.040 6.885 1.00 0.12 H new ATOM 0 HA CYS A 73 76.579 -12.895 4.602 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.303 -11.505 4.518 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.692 -12.423 3.156 1.00 0.13 H new ATOM 1059 N LYS A 74 77.885 -15.007 4.265 1.00 0.13 N ATOM 1060 CA LYS A 74 78.469 -16.377 4.306 1.00 0.13 C ATOM 1061 C LYS A 74 79.888 -16.408 3.745 1.00 0.13 C ATOM 1062 O LYS A 74 80.169 -15.907 2.674 1.00 0.13 O ATOM 1063 CB LYS A 74 77.609 -17.341 3.481 1.00 0.16 C ATOM 1064 CG LYS A 74 76.283 -17.563 4.199 1.00 0.20 C ATOM 1065 CD LYS A 74 75.413 -18.567 3.427 1.00 0.22 C ATOM 1066 CE LYS A 74 75.859 -20.004 3.733 1.00 0.30 C ATOM 1067 NZ LYS A 74 74.837 -20.958 3.214 1.00 0.38 N ATOM 0 H LYS A 74 77.186 -14.860 3.537 1.00 0.13 H new ATOM 0 HA LYS A 74 78.495 -16.680 5.353 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.434 -16.932 2.486 1.00 0.16 H new ATOM 0 HB3 LYS A 74 78.129 -18.290 3.349 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.467 -17.933 5.208 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.754 -16.615 4.298 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.366 -18.438 3.701 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.488 -18.376 2.357 1.00 0.22 H new ATOM 0 HE2 LYS A 74 76.826 -20.203 3.272 1.00 0.30 H new ATOM 0 HE3 LYS A 74 75.985 -20.137 4.808 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 75.312 -21.788 2.806 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 74.218 -21.261 3.993 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.267 -20.491 2.481 1.00 0.38 H new ATOM 1081 N THR A 75 80.764 -17.058 4.456 1.00 0.13 N ATOM 1082 CA THR A 75 82.168 -17.211 3.988 1.00 0.14 C ATOM 1083 C THR A 75 82.242 -18.496 3.182 1.00 0.15 C ATOM 1084 O THR A 75 81.290 -19.245 3.102 1.00 0.15 O ATOM 1085 CB THR A 75 83.125 -17.338 5.178 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.906 -18.590 5.816 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.901 -16.210 6.193 1.00 0.23 C ATOM 0 H THR A 75 80.564 -17.496 5.355 1.00 0.13 H new ATOM 0 HA THR A 75 82.453 -16.340 3.397 1.00 0.14 H new ATOM 0 HB THR A 75 84.148 -17.269 4.809 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.516 -18.680 6.578 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.594 -16.327 7.026 1.00 0.23 H new ATOM 0 HG22 THR A 75 83.072 -15.247 5.711 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.877 -16.253 6.565 1.00 0.23 H new ATOM 1095 N ARG A 76 83.358 -18.766 2.589 1.00 0.17 N ATOM 1096 CA ARG A 76 83.473 -20.012 1.799 1.00 0.19 C ATOM 1097 C ARG A 76 83.163 -21.206 2.704 1.00 0.18 C ATOM 1098 O ARG A 76 82.849 -22.277 2.223 1.00 0.19 O ATOM 1099 CB ARG A 76 84.892 -20.148 1.243 1.00 0.22 C ATOM 1100 CG ARG A 76 85.116 -19.091 0.159 1.00 0.25 C ATOM 1101 CD ARG A 76 86.506 -19.272 -0.455 1.00 0.35 C ATOM 1102 NE ARG A 76 86.782 -18.141 -1.385 1.00 1.36 N ATOM 1103 CZ ARG A 76 87.990 -17.948 -1.842 1.00 1.94 C ATOM 1104 NH1 ARG A 76 88.952 -18.763 -1.508 1.00 2.11 N ATOM 1105 NH2 ARG A 76 88.234 -16.944 -2.639 1.00 2.94 N ATOM 0 H ARG A 76 84.194 -18.182 2.615 1.00 0.17 H new ATOM 0 HA ARG A 76 82.768 -19.982 0.968 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.622 -20.024 2.043 1.00 0.22 H new ATOM 0 HB3 ARG A 76 85.038 -21.146 0.829 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.352 -19.180 -0.613 1.00 0.25 H new ATOM 0 HG3 ARG A 76 85.023 -18.092 0.586 1.00 0.25 H new ATOM 0 HD2 ARG A 76 87.262 -19.306 0.330 1.00 0.35 H new ATOM 0 HD3 ARG A 76 86.560 -20.220 -0.990 1.00 0.35 H new ATOM 0 HE ARG A 76 86.026 -17.516 -1.665 1.00 1.36 H new ATOM 0 HH11 ARG A 76 88.761 -19.551 -0.890 1.00 2.11 H new ATOM 0 HH12 ARG A 76 89.895 -18.612 -1.865 1.00 2.11 H new ATOM 0 HH21 ARG A 76 87.481 -16.310 -2.905 1.00 2.94 H new ATOM 0 HH22 ARG A 76 89.178 -16.794 -2.996 1.00 2.94 H new ATOM 1119 N ALA A 77 83.284 -21.060 4.009 1.00 0.17 N ATOM 1120 CA ALA A 77 83.029 -22.234 4.910 1.00 0.17 C ATOM 1121 C ALA A 77 81.550 -22.326 5.327 1.00 0.17 C ATOM 1122 O ALA A 77 81.216 -23.086 6.211 1.00 0.17 O ATOM 1123 CB ALA A 77 83.912 -22.135 6.154 1.00 0.17 C ATOM 0 H ALA A 77 83.544 -20.194 4.480 1.00 0.17 H new ATOM 0 HA ALA A 77 83.274 -23.138 4.353 1.00 0.17 H new ATOM 0 HB1 ALA A 77 83.722 -22.989 6.804 1.00 0.17 H new ATOM 0 HB2 ALA A 77 84.961 -22.131 5.856 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.683 -21.214 6.690 1.00 0.17 H new ATOM 1129 N GLN A 78 80.663 -21.567 4.720 1.00 0.17 N ATOM 1130 CA GLN A 78 79.199 -21.608 5.077 1.00 0.18 C ATOM 1131 C GLN A 78 78.925 -21.117 6.505 1.00 0.18 C ATOM 1132 O GLN A 78 78.017 -21.595 7.156 1.00 0.20 O ATOM 1133 CB GLN A 78 78.637 -23.026 4.916 1.00 0.20 C ATOM 1134 CG GLN A 78 78.823 -23.500 3.472 1.00 0.31 C ATOM 1135 CD GLN A 78 78.047 -22.592 2.509 1.00 0.59 C ATOM 1136 OE1 GLN A 78 76.844 -22.445 2.620 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.694 -21.971 1.561 1.00 0.41 N ATOM 0 H GLN A 78 80.895 -20.907 3.977 1.00 0.17 H new ATOM 0 HA GLN A 78 78.698 -20.930 4.386 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.144 -23.707 5.600 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.579 -23.039 5.179 1.00 0.20 H new ATOM 0 HG2 GLN A 78 79.882 -23.495 3.214 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.476 -24.528 3.372 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.702 -22.093 1.467 1.00 0.41 H new ATOM 0 HE22 GLN A 78 78.191 -21.363 0.914 1.00 0.41 H new ATOM 1146 N GLN A 79 79.670 -20.150 6.985 1.00 0.17 N ATOM 1147 CA GLN A 79 79.428 -19.597 8.365 1.00 0.19 C ATOM 1148 C GLN A 79 79.155 -18.090 8.258 1.00 0.17 C ATOM 1149 O GLN A 79 79.864 -17.376 7.579 1.00 0.21 O ATOM 1150 CB GLN A 79 80.664 -19.830 9.237 1.00 0.22 C ATOM 1151 CG GLN A 79 80.769 -21.314 9.603 1.00 1.18 C ATOM 1152 CD GLN A 79 82.037 -21.546 10.427 1.00 1.51 C ATOM 1153 OE1 GLN A 79 82.961 -20.758 10.376 1.00 1.87 O ATOM 1154 NE2 GLN A 79 82.120 -22.599 11.194 1.00 2.23 N ATOM 0 H GLN A 79 80.442 -19.714 6.480 1.00 0.17 H new ATOM 0 HA GLN A 79 78.571 -20.098 8.816 1.00 0.19 H new ATOM 0 HB2 GLN A 79 81.561 -19.513 8.705 1.00 0.22 H new ATOM 0 HB3 GLN A 79 80.601 -19.226 10.142 1.00 0.22 H new ATOM 0 HG2 GLN A 79 79.891 -21.623 10.171 1.00 1.18 H new ATOM 0 HG3 GLN A 79 80.793 -21.922 8.699 1.00 1.18 H new ATOM 0 HE21 GLN A 79 81.345 -23.261 11.237 1.00 2.23 H new ATOM 0 HE22 GLN A 79 82.960 -22.760 11.750 1.00 2.23 H new ATOM 1163 N PHE A 80 78.131 -17.593 8.917 1.00 0.15 N ATOM 1164 CA PHE A 80 77.828 -16.125 8.821 1.00 0.14 C ATOM 1165 C PHE A 80 78.790 -15.325 9.716 1.00 0.13 C ATOM 1166 O PHE A 80 78.903 -15.591 10.897 1.00 0.14 O ATOM 1167 CB PHE A 80 76.390 -15.846 9.303 1.00 0.16 C ATOM 1168 CG PHE A 80 75.368 -16.177 8.236 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.218 -15.335 7.127 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.547 -17.306 8.371 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.253 -15.620 6.154 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.577 -17.589 7.400 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.431 -16.746 6.291 1.00 0.31 C ATOM 0 H PHE A 80 77.499 -18.132 9.510 1.00 0.15 H new ATOM 0 HA PHE A 80 77.943 -15.825 7.779 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.186 -16.434 10.198 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.297 -14.797 9.583 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.848 -14.464 7.022 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.662 -17.958 9.224 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.142 -14.972 5.297 1.00 0.28 H new ATOM 0 HE2 PHE A 80 72.943 -18.456 7.507 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.685 -16.964 5.541 1.00 0.31 H new ATOM 1183 N VAL A 81 79.463 -14.333 9.169 1.00 0.12 N ATOM 1184 CA VAL A 81 80.404 -13.498 9.995 1.00 0.12 C ATOM 1185 C VAL A 81 80.058 -12.019 9.822 1.00 0.12 C ATOM 1186 O VAL A 81 79.317 -11.645 8.934 1.00 0.12 O ATOM 1187 CB VAL A 81 81.852 -13.771 9.570 1.00 0.14 C ATOM 1188 CG1 VAL A 81 82.022 -15.274 9.348 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.201 -13.101 8.236 1.00 0.16 C ATOM 0 H VAL A 81 79.401 -14.066 8.187 1.00 0.12 H new ATOM 0 HA VAL A 81 80.300 -13.761 11.048 1.00 0.12 H new ATOM 0 HB VAL A 81 82.497 -13.379 10.356 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.048 -15.483 9.045 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.801 -15.806 10.274 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.338 -15.606 8.567 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.236 -13.323 7.977 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.542 -13.481 7.455 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.073 -12.022 8.326 1.00 0.16 H new ATOM 1199 N SER A 82 80.565 -11.173 10.676 1.00 0.15 N ATOM 1200 CA SER A 82 80.240 -9.721 10.575 1.00 0.15 C ATOM 1201 C SER A 82 80.967 -9.070 9.393 1.00 0.16 C ATOM 1202 O SER A 82 82.159 -9.230 9.220 1.00 0.25 O ATOM 1203 CB SER A 82 80.657 -9.019 11.868 1.00 0.23 C ATOM 1204 OG SER A 82 80.122 -7.702 11.878 1.00 0.26 O ATOM 0 H SER A 82 81.191 -11.424 11.441 1.00 0.15 H new ATOM 0 HA SER A 82 79.166 -9.621 10.417 1.00 0.15 H new ATOM 0 HB2 SER A 82 80.296 -9.578 12.732 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.744 -8.984 11.942 1.00 0.23 H new ATOM 0 HG SER A 82 80.385 -7.248 12.706 1.00 0.26 H new ATOM 1210 N THR A 83 80.255 -8.321 8.589 1.00 0.12 N ATOM 1211 CA THR A 83 80.883 -7.630 7.417 1.00 0.17 C ATOM 1212 C THR A 83 80.409 -6.173 7.377 1.00 0.12 C ATOM 1213 O THR A 83 79.368 -5.832 7.904 1.00 0.11 O ATOM 1214 CB THR A 83 80.485 -8.348 6.120 1.00 0.27 C ATOM 1215 OG1 THR A 83 80.989 -7.623 5.008 1.00 0.31 O ATOM 1216 CG2 THR A 83 78.959 -8.459 6.014 1.00 0.29 C ATOM 0 H THR A 83 79.254 -8.156 8.695 1.00 0.12 H new ATOM 0 HA THR A 83 81.968 -7.654 7.515 1.00 0.17 H new ATOM 0 HB THR A 83 80.907 -9.353 6.128 1.00 0.27 H new ATOM 0 HG1 THR A 83 81.966 -7.569 5.068 1.00 0.31 H new ATOM 0 HG21 THR A 83 78.695 -8.971 5.088 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.575 -9.024 6.863 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.521 -7.461 6.015 1.00 0.29 H new ATOM 1224 N LYS A 84 81.169 -5.311 6.750 1.00 0.12 N ATOM 1225 CA LYS A 84 80.766 -3.875 6.670 1.00 0.14 C ATOM 1226 C LYS A 84 81.360 -3.236 5.409 1.00 0.13 C ATOM 1227 O LYS A 84 82.352 -3.684 4.868 1.00 0.15 O ATOM 1228 CB LYS A 84 81.273 -3.133 7.910 1.00 0.25 C ATOM 1229 CG LYS A 84 82.802 -3.219 7.976 1.00 0.34 C ATOM 1230 CD LYS A 84 83.289 -2.820 9.375 1.00 0.48 C ATOM 1231 CE LYS A 84 83.073 -1.321 9.596 1.00 1.17 C ATOM 1232 NZ LYS A 84 83.746 -0.906 10.859 1.00 1.98 N ATOM 0 H LYS A 84 82.050 -5.540 6.291 1.00 0.12 H new ATOM 0 HA LYS A 84 79.679 -3.809 6.625 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.959 -2.090 7.875 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.836 -3.567 8.809 1.00 0.25 H new ATOM 0 HG2 LYS A 84 83.128 -4.233 7.744 1.00 0.34 H new ATOM 0 HG3 LYS A 84 83.244 -2.562 7.227 1.00 0.34 H new ATOM 0 HD2 LYS A 84 82.750 -3.389 10.133 1.00 0.48 H new ATOM 0 HD3 LYS A 84 84.346 -3.064 9.485 1.00 0.48 H new ATOM 0 HE2 LYS A 84 83.474 -0.756 8.754 1.00 1.17 H new ATOM 0 HE3 LYS A 84 82.007 -1.100 9.649 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 83.601 0.112 11.011 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 83.343 -1.437 11.658 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 84.765 -1.104 10.791 1.00 1.98 H new ATOM 1246 N ILE A 85 80.739 -2.183 4.948 1.00 0.13 N ATOM 1247 CA ILE A 85 81.211 -1.470 3.725 1.00 0.13 C ATOM 1248 C ILE A 85 80.894 0.025 3.869 1.00 0.13 C ATOM 1249 O ILE A 85 79.907 0.408 4.464 1.00 0.13 O ATOM 1250 CB ILE A 85 80.505 -2.052 2.493 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.106 -1.449 1.217 1.00 0.17 C ATOM 1252 CG2 ILE A 85 79.008 -1.743 2.549 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.615 -2.244 0.005 1.00 0.20 C ATOM 0 H ILE A 85 79.907 -1.779 5.377 1.00 0.13 H new ATOM 0 HA ILE A 85 82.287 -1.598 3.604 1.00 0.13 H new ATOM 0 HB ILE A 85 80.646 -3.133 2.485 1.00 0.14 H new ATOM 0 HG12 ILE A 85 80.815 -0.403 1.123 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.195 -1.474 1.267 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.517 -2.161 1.670 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.579 -2.185 3.448 1.00 0.16 H new ATOM 0 HG23 ILE A 85 78.860 -0.663 2.569 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.039 -1.819 -0.905 1.00 0.20 H new ATOM 0 HD12 ILE A 85 80.928 -3.284 0.101 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.527 -2.196 -0.045 1.00 0.20 H new ATOM 1265 N ASN A 86 81.736 0.868 3.337 1.00 0.13 N ATOM 1266 CA ASN A 86 81.504 2.344 3.450 1.00 0.14 C ATOM 1267 C ASN A 86 80.627 2.824 2.286 1.00 0.13 C ATOM 1268 O ASN A 86 81.049 2.820 1.153 1.00 0.13 O ATOM 1269 CB ASN A 86 82.854 3.064 3.400 1.00 0.15 C ATOM 1270 CG ASN A 86 82.685 4.517 3.855 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.581 5.019 3.930 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.745 5.216 4.165 1.00 0.23 N ATOM 0 H ASN A 86 82.578 0.602 2.827 1.00 0.13 H new ATOM 0 HA ASN A 86 80.999 2.563 4.391 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.572 2.554 4.042 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.255 3.035 2.387 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.646 6.184 4.470 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.671 4.793 4.102 1.00 0.23 H new ATOM 1279 N LEU A 87 79.423 3.257 2.559 1.00 0.13 N ATOM 1280 CA LEU A 87 78.531 3.759 1.463 1.00 0.13 C ATOM 1281 C LEU A 87 79.086 5.069 0.899 1.00 0.13 C ATOM 1282 O LEU A 87 78.751 5.466 -0.198 1.00 0.13 O ATOM 1283 CB LEU A 87 77.126 4.034 2.010 1.00 0.14 C ATOM 1284 CG LEU A 87 76.603 2.817 2.773 1.00 0.15 C ATOM 1285 CD1 LEU A 87 75.152 3.076 3.184 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.669 1.573 1.884 1.00 0.21 C ATOM 0 H LEU A 87 79.016 3.286 3.494 1.00 0.13 H new ATOM 0 HA LEU A 87 78.487 2.999 0.683 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.149 4.902 2.669 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.450 4.275 1.189 1.00 0.14 H new ATOM 0 HG LEU A 87 77.217 2.651 3.658 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.769 2.214 3.729 1.00 0.18 H new ATOM 0 HD12 LEU A 87 75.107 3.958 3.822 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.545 3.241 2.293 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.294 0.711 2.436 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.058 1.728 0.995 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.702 1.393 1.587 1.00 0.21 H new ATOM 1298 N ASP A 88 79.893 5.765 1.642 1.00 0.14 N ATOM 1299 CA ASP A 88 80.415 7.071 1.140 1.00 0.15 C ATOM 1300 C ASP A 88 81.396 6.886 -0.027 1.00 0.15 C ATOM 1301 O ASP A 88 81.747 7.839 -0.689 1.00 0.15 O ATOM 1302 CB ASP A 88 81.132 7.802 2.275 1.00 0.17 C ATOM 1303 CG ASP A 88 80.109 8.274 3.312 1.00 0.18 C ATOM 1304 OD1 ASP A 88 78.943 8.370 2.963 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.509 8.528 4.436 1.00 0.22 O ATOM 0 H ASP A 88 80.215 5.493 2.571 1.00 0.14 H new ATOM 0 HA ASP A 88 79.564 7.651 0.782 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.861 7.140 2.744 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.684 8.655 1.880 1.00 0.17 H new ATOM 1310 N ASP A 89 81.891 5.700 -0.266 1.00 0.16 N ATOM 1311 CA ASP A 89 82.887 5.507 -1.367 1.00 0.17 C ATOM 1312 C ASP A 89 82.314 5.840 -2.752 1.00 0.16 C ATOM 1313 O ASP A 89 83.020 6.358 -3.595 1.00 0.16 O ATOM 1314 CB ASP A 89 83.334 4.044 -1.394 1.00 0.20 C ATOM 1315 CG ASP A 89 84.181 3.738 -0.154 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.689 4.676 0.439 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.306 2.571 0.180 1.00 0.26 O ATOM 0 H ASP A 89 81.650 4.855 0.252 1.00 0.16 H new ATOM 0 HA ASP A 89 83.716 6.185 -1.162 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.464 3.389 -1.422 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.911 3.847 -2.298 1.00 0.20 H new ATOM 1322 N HIS A 90 81.080 5.480 -3.036 1.00 0.16 N ATOM 1323 CA HIS A 90 80.536 5.727 -4.419 1.00 0.17 C ATOM 1324 C HIS A 90 79.082 6.218 -4.404 1.00 0.16 C ATOM 1325 O HIS A 90 78.572 6.660 -5.415 1.00 0.17 O ATOM 1326 CB HIS A 90 80.623 4.411 -5.193 1.00 0.21 C ATOM 1327 CG HIS A 90 82.068 3.996 -5.268 1.00 0.22 C ATOM 1328 ND1 HIS A 90 82.798 3.050 -4.583 1.00 0.26 N flip ATOM 1329 CD2 HIS A 90 82.965 4.619 -6.124 1.00 0.25 C flip ATOM 1330 CE1 HIS A 90 84.123 3.093 -5.010 1.00 0.29 C flip ATOM 1331 NE2 HIS A 90 84.170 4.054 -5.936 1.00 0.28 N flip ATOM 0 H HIS A 90 80.435 5.034 -2.384 1.00 0.16 H new ATOM 0 HA HIS A 90 81.127 6.513 -4.889 1.00 0.17 H new ATOM 0 HB2 HIS A 90 80.033 3.640 -4.697 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.211 4.533 -6.195 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.427 2.417 -3.874 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.736 5.415 -6.817 1.00 0.25 H new ATOM 0 HE1 HIS A 90 84.941 2.478 -4.665 1.00 0.29 H new ATOM 1339 N ILE A 91 78.401 6.155 -3.293 1.00 0.15 N ATOM 1340 CA ILE A 91 76.982 6.633 -3.279 1.00 0.14 C ATOM 1341 C ILE A 91 76.970 8.148 -3.084 1.00 0.14 C ATOM 1342 O ILE A 91 77.319 8.649 -2.034 1.00 0.15 O ATOM 1343 CB ILE A 91 76.214 5.961 -2.132 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.092 4.438 -2.379 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.819 6.590 -2.022 1.00 0.17 C ATOM 1346 CD1 ILE A 91 74.932 4.134 -3.349 1.00 0.17 C ATOM 0 H ILE A 91 78.755 5.800 -2.405 1.00 0.15 H new ATOM 0 HA ILE A 91 76.502 6.377 -4.224 1.00 0.14 H new ATOM 0 HB ILE A 91 76.758 6.113 -1.200 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.026 4.055 -2.790 1.00 0.16 H new ATOM 0 HG13 ILE A 91 75.926 3.923 -1.433 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.269 6.116 -1.209 1.00 0.17 H new ATOM 0 HG22 ILE A 91 74.916 7.657 -1.821 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.279 6.444 -2.958 1.00 0.17 H new ATOM 0 HD11 ILE A 91 74.864 3.058 -3.509 1.00 0.17 H new ATOM 0 HD12 ILE A 91 73.997 4.497 -2.923 1.00 0.17 H new ATOM 0 HD13 ILE A 91 75.114 4.631 -4.302 1.00 0.17 H new ATOM 1358 N ALA A 92 76.577 8.876 -4.105 1.00 0.15 N ATOM 1359 CA ALA A 92 76.552 10.375 -4.004 1.00 0.16 C ATOM 1360 C ALA A 92 75.132 10.924 -4.193 1.00 0.16 C ATOM 1361 O ALA A 92 74.230 10.239 -4.632 1.00 0.15 O ATOM 1362 CB ALA A 92 77.439 11.002 -5.092 1.00 0.17 C ATOM 0 H ALA A 92 76.273 8.499 -5.003 1.00 0.15 H new ATOM 0 HA ALA A 92 76.919 10.632 -3.010 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.409 12.088 -5.004 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.465 10.656 -4.969 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.072 10.707 -6.075 1.00 0.17 H new ATOM 1368 N ASN A 93 74.962 12.186 -3.891 1.00 0.17 N ATOM 1369 CA ASN A 93 73.643 12.866 -4.067 1.00 0.18 C ATOM 1370 C ASN A 93 73.785 13.856 -5.229 1.00 0.18 C ATOM 1371 O ASN A 93 74.515 14.824 -5.136 1.00 0.19 O ATOM 1372 CB ASN A 93 73.285 13.621 -2.781 1.00 0.20 C ATOM 1373 CG ASN A 93 72.084 14.535 -3.032 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.150 14.160 -3.713 1.00 0.34 O ATOM 1375 ND2 ASN A 93 72.075 15.731 -2.511 1.00 0.34 N ATOM 0 H ASN A 93 75.699 12.787 -3.522 1.00 0.17 H new ATOM 0 HA ASN A 93 72.856 12.142 -4.277 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.054 12.913 -1.985 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.138 14.211 -2.445 1.00 0.20 H new ATOM 0 HD21 ASN A 93 71.283 16.353 -2.675 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.860 16.044 -1.940 1.00 0.34 H new ATOM 1382 N ILE A 94 73.096 13.620 -6.322 1.00 0.18 N ATOM 1383 CA ILE A 94 73.185 14.546 -7.502 1.00 0.18 C ATOM 1384 C ILE A 94 71.816 15.196 -7.707 1.00 0.18 C ATOM 1385 O ILE A 94 70.881 14.585 -8.183 1.00 0.17 O ATOM 1386 CB ILE A 94 73.571 13.720 -8.737 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.018 13.223 -8.579 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.471 14.561 -10.014 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.361 12.136 -9.615 1.00 0.23 C ATOM 0 H ILE A 94 72.473 12.823 -6.449 1.00 0.18 H new ATOM 0 HA ILE A 94 73.933 15.322 -7.339 1.00 0.18 H new ATOM 0 HB ILE A 94 72.883 12.878 -8.818 1.00 0.19 H new ATOM 0 HG12 ILE A 94 75.705 14.062 -8.690 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.159 12.826 -7.574 1.00 0.26 H new ATOM 0 HG21 ILE A 94 73.750 13.952 -10.874 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.448 14.915 -10.137 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.144 15.415 -9.941 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.391 11.809 -9.472 1.00 0.23 H new ATOM 0 HD12 ILE A 94 74.690 11.287 -9.487 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.245 12.542 -10.620 1.00 0.23 H new ATOM 1401 N ASP A 95 71.720 16.448 -7.362 1.00 0.18 N ATOM 1402 CA ASP A 95 70.447 17.204 -7.546 1.00 0.18 C ATOM 1403 C ASP A 95 69.319 16.649 -6.665 1.00 0.18 C ATOM 1404 O ASP A 95 68.162 16.714 -7.031 1.00 0.18 O ATOM 1405 CB ASP A 95 70.030 17.136 -9.022 1.00 0.18 C ATOM 1406 CG ASP A 95 69.051 18.273 -9.332 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.532 18.854 -8.392 1.00 0.22 O ATOM 1408 OD2 ASP A 95 68.836 18.541 -10.503 1.00 0.22 O ATOM 0 H ASP A 95 72.481 16.990 -6.953 1.00 0.18 H new ATOM 0 HA ASP A 95 70.620 18.238 -7.247 1.00 0.18 H new ATOM 0 HB2 ASP A 95 70.908 17.214 -9.663 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.565 16.174 -9.235 1.00 0.18 H new ATOM 1413 N GLY A 96 69.624 16.130 -5.503 1.00 0.18 N ATOM 1414 CA GLY A 96 68.537 15.609 -4.614 1.00 0.18 C ATOM 1415 C GLY A 96 68.206 14.152 -4.954 1.00 0.18 C ATOM 1416 O GLY A 96 67.378 13.535 -4.311 1.00 0.19 O ATOM 0 H GLY A 96 70.570 16.044 -5.132 1.00 0.18 H new ATOM 0 HA2 GLY A 96 68.847 15.682 -3.572 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.644 16.225 -4.725 1.00 0.18 H new ATOM 1420 N THR A 97 68.853 13.593 -5.947 1.00 0.17 N ATOM 1421 CA THR A 97 68.588 12.165 -6.331 1.00 0.18 C ATOM 1422 C THR A 97 69.872 11.352 -6.133 1.00 0.17 C ATOM 1423 O THR A 97 70.955 11.801 -6.454 1.00 0.18 O ATOM 1424 CB THR A 97 68.149 12.112 -7.801 1.00 0.21 C ATOM 1425 OG1 THR A 97 66.859 12.700 -7.924 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.097 10.661 -8.285 1.00 0.23 C ATOM 0 H THR A 97 69.558 14.065 -6.513 1.00 0.17 H new ATOM 0 HA THR A 97 67.797 11.746 -5.709 1.00 0.18 H new ATOM 0 HB THR A 97 68.867 12.661 -8.410 1.00 0.21 H new ATOM 0 HG1 THR A 97 66.574 12.670 -8.861 1.00 0.24 H new ATOM 0 HG21 THR A 97 67.784 10.637 -9.329 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.085 10.211 -8.192 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.384 10.101 -7.680 1.00 0.23 H new ATOM 1434 N LEU A 98 69.766 10.165 -5.589 1.00 0.17 N ATOM 1435 CA LEU A 98 70.988 9.340 -5.359 1.00 0.17 C ATOM 1436 C LEU A 98 71.441 8.694 -6.668 1.00 0.16 C ATOM 1437 O LEU A 98 70.642 8.196 -7.435 1.00 0.17 O ATOM 1438 CB LEU A 98 70.685 8.226 -4.353 1.00 0.18 C ATOM 1439 CG LEU A 98 70.173 8.801 -3.026 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.026 7.645 -2.035 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.168 9.835 -2.474 1.00 0.26 C ATOM 0 H LEU A 98 68.889 9.734 -5.296 1.00 0.17 H new ATOM 0 HA LEU A 98 71.773 9.991 -4.974 1.00 0.17 H new ATOM 0 HB2 LEU A 98 69.940 7.548 -4.770 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.586 7.639 -4.174 1.00 0.18 H new ATOM 0 HG LEU A 98 69.215 9.297 -3.180 1.00 0.18 H new ATOM 0 HD11 LEU A 98 69.663 8.027 -1.081 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.317 6.917 -2.428 1.00 0.22 H new ATOM 0 HD13 LEU A 98 70.994 7.166 -1.889 1.00 0.22 H new ATOM 0 HD21 LEU A 98 70.792 10.235 -1.532 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.133 9.357 -2.306 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.285 10.647 -3.192 1.00 0.26 H new ATOM 1453 N LYS A 99 72.727 8.686 -6.914 1.00 0.16 N ATOM 1454 CA LYS A 99 73.268 8.058 -8.159 1.00 0.16 C ATOM 1455 C LYS A 99 74.665 7.486 -7.879 1.00 0.16 C ATOM 1456 O LYS A 99 75.538 8.172 -7.381 1.00 0.18 O ATOM 1457 CB LYS A 99 73.362 9.118 -9.270 1.00 0.17 C ATOM 1458 CG LYS A 99 71.982 9.334 -9.907 1.00 0.19 C ATOM 1459 CD LYS A 99 72.078 10.403 -11.000 1.00 0.23 C ATOM 1460 CE LYS A 99 70.769 10.450 -11.794 1.00 0.66 C ATOM 1461 NZ LYS A 99 70.820 11.575 -12.773 1.00 1.38 N ATOM 0 H LYS A 99 73.433 9.092 -6.299 1.00 0.16 H new ATOM 0 HA LYS A 99 72.604 7.255 -8.478 1.00 0.16 H new ATOM 0 HB2 LYS A 99 73.733 10.057 -8.858 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.076 8.799 -10.029 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.616 8.399 -10.331 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.264 9.641 -9.147 1.00 0.19 H new ATOM 0 HD2 LYS A 99 72.278 11.377 -10.553 1.00 0.23 H new ATOM 0 HD3 LYS A 99 72.911 10.181 -11.667 1.00 0.23 H new ATOM 0 HE2 LYS A 99 70.614 9.506 -12.317 1.00 0.66 H new ATOM 0 HE3 LYS A 99 69.925 10.581 -11.117 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 69.931 11.607 -13.312 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 70.948 12.473 -12.264 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 71.616 11.431 -13.426 1.00 1.38 H new ATOM 1475 N TYR A 100 74.892 6.244 -8.214 1.00 0.16 N ATOM 1476 CA TYR A 100 76.234 5.624 -7.996 1.00 0.17 C ATOM 1477 C TYR A 100 77.227 6.237 -8.989 1.00 0.21 C ATOM 1478 O TYR A 100 76.904 6.460 -10.138 1.00 0.22 O ATOM 1479 CB TYR A 100 76.134 4.118 -8.273 1.00 0.17 C ATOM 1480 CG TYR A 100 77.506 3.491 -8.174 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.379 3.549 -9.268 1.00 0.25 C ATOM 1482 CD2 TYR A 100 77.909 2.856 -6.991 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.652 2.973 -9.181 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.184 2.279 -6.906 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.055 2.338 -8.001 1.00 0.28 C ATOM 1486 OH TYR A 100 81.309 1.769 -7.917 1.00 0.33 O ATOM 0 H TYR A 100 74.198 5.625 -8.634 1.00 0.16 H new ATOM 0 HA TYR A 100 76.565 5.799 -6.972 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.457 3.651 -7.558 1.00 0.17 H new ATOM 0 HB3 TYR A 100 75.716 3.948 -9.265 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.070 4.039 -10.180 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.238 2.811 -6.146 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.324 3.019 -10.025 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.495 1.789 -5.995 1.00 0.24 H new ATOM 0 HH TYR A 100 81.429 1.371 -7.030 1.00 0.33 H new ATOM 1496 N GLU A 101 78.441 6.498 -8.567 1.00 0.26 N ATOM 1497 CA GLU A 101 79.454 7.084 -9.502 1.00 0.33 C ATOM 1498 C GLU A 101 80.835 6.506 -9.184 1.00 0.40 C ATOM 1499 O GLU A 101 81.814 7.189 -9.436 1.00 1.14 O ATOM 1500 CB GLU A 101 79.481 8.614 -9.354 1.00 0.41 C ATOM 1501 CG GLU A 101 79.952 9.013 -7.949 1.00 0.45 C ATOM 1502 CD GLU A 101 79.967 10.540 -7.836 1.00 1.09 C ATOM 1503 OE1 GLU A 101 79.921 11.190 -8.867 1.00 1.69 O ATOM 1504 OE2 GLU A 101 80.032 11.031 -6.721 1.00 1.44 O ATOM 1505 OXT GLU A 101 80.890 5.389 -8.696 1.00 1.12 O ATOM 0 H GLU A 101 78.774 6.331 -7.617 1.00 0.26 H new ATOM 0 HA GLU A 101 79.185 6.834 -10.528 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.146 9.045 -10.102 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.487 9.020 -9.539 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.289 8.587 -7.196 1.00 0.45 H new ATOM 0 HG3 GLU A 101 80.948 8.613 -7.759 1.00 0.45 H new TER 1512 GLU A 101