USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 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 : no HE2:sc= -0.793 K(o=-0.79,f=-1.5) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -2.66! C(o=-2.7!,f=-5.1!) USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 139:sc= 0.872 (180deg=0) USER MOD Set 3.2: A 78 GLN : amide:sc= -1.25! C(o=-0.38!,f=-14!) USER MOD Set 4.1: A 67 SER OG : rot 167:sc= 1.24 USER MOD Set 4.2: A 86 ASN : amide:sc= 0.0199 K(o=1.3,f=-6.5!) USER MOD Set 5.1: A 42 ASN : amide:sc= -1.01 K(o=-0.98,f=-2.4!) USER MOD Set 5.2: A 57 THR OG1 : rot -170:sc= 0.0267 USER MOD Set 6.1: A 37 ASN : amide:sc= -3.24 K(o=-3.5,f=-8.2!) USER MOD Set 6.2: A 53 ASN : amide:sc= -0.259 K(o=-3.5,f=-12!) 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 180:sc= 0.694 USER MOD Set 8.2: A 33 SER OG : rot -101:sc= 0.773 USER MOD Set 9.1: A 11 SER OG : rot 180:sc= 0.183 USER MOD Set 9.2: A 20 SER OG : rot 128:sc= 0.185 USER MOD Set10.1: A 7 THR OG1 : rot -160:sc= 0.0472 USER MOD Set10.2: A 93 ASN : amide:sc= -0.801 K(o=-0.75,f=-5.6!) USER MOD Set11.1: A 1 LEU N :NH3+ -159:sc= -0.0845 (180deg=-0.525) USER MOD Set11.2: A 3 LYS NZ :NH3+ 167:sc=-0.00491 (180deg=-0.136) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.5!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -2.65! C(o=-2.6!,f=-3!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 16 SER OG : rot 106:sc= 1.08 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= 0.151 F(o=-1.4!,f=0.15) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170: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 F(o=-0.58,f=0) USER MOD Single : A 52 SER OG : rot -11:sc= -2.97! USER MOD Single : A 60 ASN : amide:sc= -0.712 K(o=-0.71,f=-3.2!) USER MOD Single : A 61 THR OG1 : rot 162:sc= 1.12 USER MOD Single : A 62 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -90:sc= -0.35 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= -0.225 (180deg=-0.973) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.351 11.611 -3.820 1.00 0.30 N ATOM 2 CA LEU A 1 83.387 10.620 -4.381 1.00 0.28 C ATOM 3 C LEU A 1 82.360 10.234 -3.317 1.00 0.26 C ATOM 4 O LEU A 1 82.690 10.005 -2.171 1.00 0.27 O ATOM 5 CB LEU A 1 84.132 9.356 -4.819 1.00 0.29 C ATOM 6 CG LEU A 1 85.110 9.677 -5.957 1.00 0.33 C ATOM 7 CD1 LEU A 1 85.946 8.429 -6.259 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.339 10.100 -7.223 1.00 0.42 C ATOM 0 H1 LEU A 1 84.807 12.130 -4.597 1.00 0.30 H new ATOM 0 H2 LEU A 1 83.843 12.281 -3.207 1.00 0.30 H new ATOM 0 H3 LEU A 1 85.076 11.114 -3.264 1.00 0.30 H new ATOM 0 HA LEU A 1 82.885 11.071 -5.237 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.675 8.935 -3.973 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.418 8.601 -5.147 1.00 0.29 H new ATOM 0 HG LEU A 1 85.759 10.499 -5.654 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.645 8.646 -7.067 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.501 8.138 -5.367 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.287 7.614 -6.558 1.00 0.34 H new ATOM 0 HD21 LEU A 1 85.046 10.325 -8.022 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.682 9.289 -7.537 1.00 0.42 H new ATOM 0 HD23 LEU A 1 83.743 10.986 -7.007 1.00 0.42 H new ATOM 22 N GLY A 2 81.114 10.169 -3.690 1.00 0.24 N ATOM 23 CA GLY A 2 80.054 9.798 -2.713 1.00 0.24 C ATOM 24 C GLY A 2 79.921 10.878 -1.639 1.00 0.25 C ATOM 25 O GLY A 2 79.983 12.050 -1.940 1.00 0.33 O ATOM 0 H GLY A 2 80.782 10.358 -4.636 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.103 9.670 -3.229 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.296 8.842 -2.249 1.00 0.24 H new ATOM 29 N LYS A 3 79.722 10.473 -0.394 1.00 0.23 N ATOM 30 CA LYS A 3 79.556 11.414 0.768 1.00 0.23 C ATOM 31 C LYS A 3 78.125 11.961 0.788 1.00 0.19 C ATOM 32 O LYS A 3 77.833 12.956 1.422 1.00 0.20 O ATOM 33 CB LYS A 3 80.562 12.577 0.720 1.00 0.28 C ATOM 34 CG LYS A 3 81.987 12.019 0.749 1.00 0.34 C ATOM 35 CD LYS A 3 82.987 13.174 0.701 1.00 1.04 C ATOM 36 CE LYS A 3 84.412 12.618 0.727 1.00 1.30 C ATOM 37 NZ LYS A 3 84.717 11.991 -0.590 1.00 1.98 N ATOM 0 H LYS A 3 79.667 9.489 -0.132 1.00 0.23 H new ATOM 0 HA LYS A 3 79.752 10.851 1.681 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.409 13.167 -0.184 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.404 13.244 1.567 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.140 11.429 1.653 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.145 11.351 -0.098 1.00 0.34 H new ATOM 0 HD2 LYS A 3 82.833 13.765 -0.202 1.00 1.04 H new ATOM 0 HD3 LYS A 3 82.830 13.840 1.549 1.00 1.04 H new ATOM 0 HE2 LYS A 3 85.123 13.417 0.936 1.00 1.30 H new ATOM 0 HE3 LYS A 3 84.514 11.883 1.526 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 85.739 11.810 -0.660 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 84.200 11.093 -0.675 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 84.426 12.632 -1.355 1.00 1.98 H new ATOM 51 N PHE A 4 77.232 11.310 0.096 1.00 0.17 N ATOM 52 CA PHE A 4 75.811 11.768 0.056 1.00 0.17 C ATOM 53 C PHE A 4 75.309 12.098 1.470 1.00 0.16 C ATOM 54 O PHE A 4 74.345 12.821 1.629 1.00 0.15 O ATOM 55 CB PHE A 4 74.941 10.653 -0.546 1.00 0.18 C ATOM 56 CG PHE A 4 74.693 9.569 0.485 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.628 8.545 0.676 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.527 9.603 1.258 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.392 7.553 1.638 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.293 8.613 2.218 1.00 0.23 C ATOM 61 CZ PHE A 4 74.224 7.587 2.408 1.00 0.25 C ATOM 0 H PHE A 4 77.426 10.471 -0.450 1.00 0.17 H new ATOM 0 HA PHE A 4 75.746 12.668 -0.556 1.00 0.17 H new ATOM 0 HB2 PHE A 4 73.991 11.066 -0.886 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.435 10.228 -1.420 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.530 8.519 0.083 1.00 0.21 H new ATOM 0 HD2 PHE A 4 72.807 10.395 1.113 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.112 6.762 1.785 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.392 8.641 2.813 1.00 0.23 H new ATOM 0 HZ PHE A 4 74.042 6.822 3.148 1.00 0.25 H new ATOM 71 N SER A 5 75.918 11.575 2.494 1.00 0.15 N ATOM 72 CA SER A 5 75.424 11.866 3.869 1.00 0.15 C ATOM 73 C SER A 5 75.716 13.322 4.252 1.00 0.14 C ATOM 74 O SER A 5 75.228 13.814 5.251 1.00 0.14 O ATOM 75 CB SER A 5 76.119 10.924 4.852 1.00 0.18 C ATOM 76 OG SER A 5 77.502 11.249 4.915 1.00 0.21 O ATOM 0 H SER A 5 76.732 10.962 2.441 1.00 0.15 H new ATOM 0 HA SER A 5 74.345 11.714 3.902 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.667 11.013 5.840 1.00 0.18 H new ATOM 0 HB3 SER A 5 75.991 9.889 4.535 1.00 0.18 H new ATOM 0 HG SER A 5 77.951 10.648 5.546 1.00 0.21 H new ATOM 82 N GLN A 6 76.496 14.022 3.470 1.00 0.15 N ATOM 83 CA GLN A 6 76.804 15.445 3.799 1.00 0.16 C ATOM 84 C GLN A 6 75.577 16.332 3.565 1.00 0.14 C ATOM 85 O GLN A 6 75.439 17.365 4.191 1.00 0.15 O ATOM 86 CB GLN A 6 77.955 15.939 2.920 1.00 0.20 C ATOM 87 CG GLN A 6 79.252 15.253 3.347 1.00 0.25 C ATOM 88 CD GLN A 6 80.389 15.694 2.424 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.152 16.236 1.362 1.00 0.93 O ATOM 90 NE2 GLN A 6 81.624 15.484 2.791 1.00 1.12 N ATOM 0 H GLN A 6 76.933 13.670 2.618 1.00 0.15 H new ATOM 0 HA GLN A 6 77.087 15.502 4.850 1.00 0.16 H new ATOM 0 HB2 GLN A 6 77.745 15.724 1.872 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.057 17.021 3.009 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.488 15.508 4.380 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.134 14.170 3.305 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.821 15.029 3.682 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.392 15.775 2.186 1.00 1.12 H new ATOM 99 N THR A 7 74.693 15.957 2.667 1.00 0.13 N ATOM 100 CA THR A 7 73.482 16.809 2.399 1.00 0.14 C ATOM 101 C THR A 7 72.201 15.978 2.496 1.00 0.13 C ATOM 102 O THR A 7 71.171 16.375 1.986 1.00 0.14 O ATOM 103 CB THR A 7 73.585 17.423 1.000 1.00 0.16 C ATOM 104 OG1 THR A 7 73.815 16.395 0.047 1.00 0.17 O ATOM 105 CG2 THR A 7 74.739 18.424 0.966 1.00 0.20 C ATOM 0 H THR A 7 74.755 15.104 2.111 1.00 0.13 H new ATOM 0 HA THR A 7 73.443 17.599 3.149 1.00 0.14 H new ATOM 0 HB THR A 7 72.655 17.937 0.759 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.190 16.785 -0.770 1.00 0.17 H new ATOM 0 HG21 THR A 7 74.812 18.861 -0.030 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.558 19.213 1.696 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.671 17.913 1.208 1.00 0.20 H new ATOM 113 N CYS A 8 72.237 14.839 3.154 1.00 0.13 N ATOM 114 CA CYS A 8 70.994 14.003 3.290 1.00 0.13 C ATOM 115 C CYS A 8 70.840 13.580 4.753 1.00 0.13 C ATOM 116 O CYS A 8 71.807 13.521 5.487 1.00 0.14 O ATOM 117 CB CYS A 8 71.100 12.765 2.396 1.00 0.12 C ATOM 118 SG CYS A 8 71.411 13.282 0.689 1.00 0.12 S ATOM 0 H CYS A 8 73.069 14.453 3.601 1.00 0.13 H new ATOM 0 HA CYS A 8 70.124 14.582 2.982 1.00 0.13 H new ATOM 0 HB2 CYS A 8 71.906 12.119 2.745 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.179 12.184 2.450 1.00 0.12 H new ATOM 123 N TYR A 9 69.642 13.278 5.190 1.00 0.13 N ATOM 124 CA TYR A 9 69.454 12.849 6.611 1.00 0.14 C ATOM 125 C TYR A 9 68.293 11.853 6.702 1.00 0.14 C ATOM 126 O TYR A 9 67.659 11.542 5.713 1.00 0.14 O ATOM 127 CB TYR A 9 69.206 14.071 7.504 1.00 0.16 C ATOM 128 CG TYR A 9 67.858 14.692 7.230 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.689 15.543 6.132 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.786 14.444 8.093 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.445 16.140 5.894 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.544 15.046 7.859 1.00 0.26 C ATOM 133 CZ TYR A 9 65.373 15.893 6.758 1.00 0.27 C ATOM 134 OH TYR A 9 64.148 16.486 6.529 1.00 0.33 O ATOM 0 H TYR A 9 68.791 13.310 4.628 1.00 0.13 H new ATOM 0 HA TYR A 9 70.359 12.354 6.963 1.00 0.14 H new ATOM 0 HB2 TYR A 9 69.265 13.776 8.551 1.00 0.16 H new ATOM 0 HB3 TYR A 9 69.989 14.810 7.336 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.518 15.739 5.468 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.916 13.788 8.941 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.313 16.792 5.043 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.718 14.857 8.528 1.00 0.26 H new ATOM 0 HH TYR A 9 63.515 16.207 7.223 1.00 0.33 H new ATOM 144 N ASN A 10 68.046 11.313 7.867 1.00 0.15 N ATOM 145 CA ASN A 10 66.955 10.288 8.020 1.00 0.16 C ATOM 146 C ASN A 10 67.236 9.122 7.064 1.00 0.15 C ATOM 147 O ASN A 10 66.333 8.530 6.503 1.00 0.16 O ATOM 148 CB ASN A 10 65.568 10.882 7.698 1.00 0.18 C ATOM 149 CG ASN A 10 65.023 11.676 8.887 1.00 0.21 C ATOM 150 OD1 ASN A 10 64.325 12.646 8.700 1.00 0.81 O ATOM 151 ND2 ASN A 10 65.268 11.289 10.108 1.00 0.67 N ATOM 0 H ASN A 10 68.551 11.534 8.725 1.00 0.15 H new ATOM 0 HA ASN A 10 66.945 9.949 9.056 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.640 11.531 6.825 1.00 0.18 H new ATOM 0 HB3 ASN A 10 64.875 10.080 7.443 1.00 0.18 H new ATOM 0 HD21 ASN A 10 64.872 11.803 10.895 1.00 0.67 H new ATOM 0 HD22 ASN A 10 65.855 10.472 10.276 1.00 0.67 H new ATOM 158 N SER A 11 68.481 8.787 6.868 1.00 0.14 N ATOM 159 CA SER A 11 68.812 7.661 5.950 1.00 0.14 C ATOM 160 C SER A 11 68.309 6.346 6.547 1.00 0.13 C ATOM 161 O SER A 11 68.338 6.138 7.744 1.00 0.14 O ATOM 162 CB SER A 11 70.328 7.580 5.760 1.00 0.15 C ATOM 163 OG SER A 11 70.811 8.837 5.303 1.00 0.18 O ATOM 0 H SER A 11 69.283 9.243 7.303 1.00 0.14 H new ATOM 0 HA SER A 11 68.332 7.833 4.987 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.810 7.312 6.700 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.575 6.799 5.041 1.00 0.15 H new ATOM 0 HG SER A 11 71.782 8.790 5.181 1.00 0.18 H new ATOM 169 N ALA A 12 67.844 5.460 5.707 1.00 0.13 N ATOM 170 CA ALA A 12 67.320 4.151 6.209 1.00 0.13 C ATOM 171 C ALA A 12 67.631 3.045 5.201 1.00 0.13 C ATOM 172 O ALA A 12 67.811 3.293 4.025 1.00 0.13 O ATOM 173 CB ALA A 12 65.805 4.263 6.382 1.00 0.13 C ATOM 0 H ALA A 12 67.803 5.584 4.695 1.00 0.13 H new ATOM 0 HA ALA A 12 67.792 3.909 7.161 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.410 3.315 6.748 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.578 5.052 7.099 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.346 4.502 5.423 1.00 0.13 H new ATOM 179 N ILE A 13 67.691 1.820 5.663 1.00 0.13 N ATOM 180 CA ILE A 13 67.980 0.671 4.750 1.00 0.14 C ATOM 181 C ILE A 13 67.037 -0.493 5.055 1.00 0.14 C ATOM 182 O ILE A 13 66.827 -0.869 6.190 1.00 0.16 O ATOM 183 CB ILE A 13 69.448 0.229 4.904 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.352 1.277 4.249 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.664 -1.124 4.217 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.808 1.065 4.663 1.00 0.17 C ATOM 0 H ILE A 13 67.551 1.565 6.641 1.00 0.13 H new ATOM 0 HA ILE A 13 67.818 0.988 3.720 1.00 0.14 H new ATOM 0 HB ILE A 13 69.688 0.133 5.963 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.264 1.215 3.164 1.00 0.15 H new ATOM 0 HG13 ILE A 13 70.028 2.277 4.538 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.704 -1.428 4.331 1.00 0.16 H new ATOM 0 HG22 ILE A 13 69.015 -1.872 4.674 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.426 -1.036 3.157 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.435 1.819 4.188 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.895 1.151 5.746 1.00 0.17 H new ATOM 0 HD13 ILE A 13 72.134 0.073 4.351 1.00 0.17 H new ATOM 198 N GLN A 14 66.490 -1.074 4.022 1.00 0.14 N ATOM 199 CA GLN A 14 65.575 -2.238 4.180 1.00 0.16 C ATOM 200 C GLN A 14 65.976 -3.261 3.126 1.00 0.15 C ATOM 201 O GLN A 14 65.742 -3.075 1.949 1.00 0.15 O ATOM 202 CB GLN A 14 64.127 -1.796 3.949 1.00 0.18 C ATOM 203 CG GLN A 14 63.189 -2.997 4.113 1.00 0.23 C ATOM 204 CD GLN A 14 61.741 -2.547 3.912 1.00 1.00 C ATOM 205 OE1 GLN A 14 61.464 -1.367 3.846 1.00 1.65 O ATOM 206 NE2 GLN A 14 60.798 -3.444 3.821 1.00 1.56 N ATOM 0 H GLN A 14 66.643 -0.784 3.056 1.00 0.14 H new ATOM 0 HA GLN A 14 65.646 -2.659 5.183 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.858 -1.013 4.658 1.00 0.18 H new ATOM 0 HB3 GLN A 14 64.021 -1.373 2.950 1.00 0.18 H new ATOM 0 HG2 GLN A 14 63.444 -3.772 3.390 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.311 -3.434 5.104 1.00 0.23 H new ATOM 0 HE21 GLN A 14 61.030 -4.436 3.876 1.00 1.56 H new ATOM 0 HE22 GLN A 14 59.828 -3.154 3.694 1.00 1.56 H new ATOM 215 N GLY A 15 66.606 -4.321 3.528 1.00 0.17 N ATOM 216 CA GLY A 15 67.053 -5.318 2.524 1.00 0.16 C ATOM 217 C GLY A 15 68.277 -4.743 1.806 1.00 0.14 C ATOM 218 O GLY A 15 69.282 -4.456 2.424 1.00 0.14 O ATOM 0 H GLY A 15 66.830 -4.541 4.499 1.00 0.17 H new ATOM 0 HA2 GLY A 15 67.303 -6.262 3.008 1.00 0.16 H new ATOM 0 HA3 GLY A 15 66.255 -5.527 1.811 1.00 0.16 H new ATOM 222 N SER A 16 68.189 -4.540 0.513 1.00 0.12 N ATOM 223 CA SER A 16 69.338 -3.951 -0.253 1.00 0.12 C ATOM 224 C SER A 16 68.968 -2.545 -0.755 1.00 0.11 C ATOM 225 O SER A 16 69.710 -1.933 -1.498 1.00 0.12 O ATOM 226 CB SER A 16 69.639 -4.840 -1.461 1.00 0.14 C ATOM 227 OG SER A 16 68.552 -4.775 -2.374 1.00 0.20 O ATOM 0 H SER A 16 67.366 -4.758 -0.050 1.00 0.12 H new ATOM 0 HA SER A 16 70.209 -3.887 0.399 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.558 -4.513 -1.948 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.798 -5.869 -1.139 1.00 0.14 H new ATOM 0 HG SER A 16 68.810 -4.238 -3.152 1.00 0.20 H new ATOM 233 N VAL A 17 67.808 -2.039 -0.398 1.00 0.11 N ATOM 234 CA VAL A 17 67.382 -0.691 -0.911 1.00 0.11 C ATOM 235 C VAL A 17 67.737 0.449 0.059 1.00 0.11 C ATOM 236 O VAL A 17 67.316 0.472 1.198 1.00 0.13 O ATOM 237 CB VAL A 17 65.865 -0.706 -1.130 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.380 0.690 -1.534 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.528 -1.700 -2.240 1.00 0.19 C ATOM 0 H VAL A 17 67.141 -2.497 0.223 1.00 0.11 H new ATOM 0 HA VAL A 17 67.917 -0.505 -1.843 1.00 0.11 H new ATOM 0 HB VAL A 17 65.371 -1.001 -0.204 1.00 0.14 H new ATOM 0 HG11 VAL A 17 64.301 0.670 -1.688 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.621 1.402 -0.744 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.872 0.993 -2.458 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.450 -1.715 -2.400 1.00 0.19 H new ATOM 0 HG22 VAL A 17 66.028 -1.400 -3.161 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.866 -2.695 -1.952 1.00 0.19 H new ATOM 249 N LEU A 18 68.471 1.415 -0.420 1.00 0.11 N ATOM 250 CA LEU A 18 68.813 2.603 0.424 1.00 0.12 C ATOM 251 C LEU A 18 67.762 3.679 0.147 1.00 0.12 C ATOM 252 O LEU A 18 67.500 4.026 -0.985 1.00 0.13 O ATOM 253 CB LEU A 18 70.211 3.128 0.052 1.00 0.14 C ATOM 254 CG LEU A 18 70.503 4.467 0.758 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.445 4.286 2.280 1.00 0.24 C ATOM 256 CD2 LEU A 18 71.904 4.948 0.359 1.00 0.20 C ATOM 0 H LEU A 18 68.853 1.436 -1.366 1.00 0.11 H new ATOM 0 HA LEU A 18 68.821 2.334 1.480 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.966 2.393 0.332 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.279 3.260 -1.028 1.00 0.14 H new ATOM 0 HG LEU A 18 69.755 5.201 0.459 1.00 0.17 H new ATOM 0 HD11 LEU A 18 70.653 5.238 2.768 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.452 3.940 2.568 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.189 3.551 2.588 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.118 5.895 0.854 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.643 4.206 0.660 1.00 0.20 H new ATOM 0 HD23 LEU A 18 71.947 5.086 -0.721 1.00 0.20 H new ATOM 268 N THR A 19 67.163 4.214 1.185 1.00 0.13 N ATOM 269 CA THR A 19 66.115 5.272 1.016 1.00 0.14 C ATOM 270 C THR A 19 66.485 6.486 1.876 1.00 0.14 C ATOM 271 O THR A 19 66.814 6.348 3.037 1.00 0.14 O ATOM 272 CB THR A 19 64.777 4.690 1.478 1.00 0.16 C ATOM 273 OG1 THR A 19 64.432 3.593 0.644 1.00 0.20 O ATOM 274 CG2 THR A 19 63.668 5.743 1.418 1.00 0.19 C ATOM 0 H THR A 19 67.358 3.960 2.153 1.00 0.13 H new ATOM 0 HA THR A 19 66.044 5.586 -0.025 1.00 0.14 H new ATOM 0 HB THR A 19 64.881 4.360 2.512 1.00 0.16 H new ATOM 0 HG1 THR A 19 63.576 3.216 0.937 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.729 5.302 1.752 1.00 0.19 H new ATOM 0 HG22 THR A 19 63.926 6.580 2.066 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.558 6.098 0.393 1.00 0.19 H new ATOM 282 N SER A 20 66.453 7.669 1.333 1.00 0.14 N ATOM 283 CA SER A 20 66.834 8.845 2.180 1.00 0.15 C ATOM 284 C SER A 20 66.276 10.153 1.608 1.00 0.14 C ATOM 285 O SER A 20 65.954 10.256 0.441 1.00 0.14 O ATOM 286 CB SER A 20 68.360 8.935 2.236 1.00 0.16 C ATOM 287 OG SER A 20 68.736 9.903 3.206 1.00 0.22 O ATOM 0 H SER A 20 66.189 7.876 0.370 1.00 0.14 H new ATOM 0 HA SER A 20 66.415 8.704 3.176 1.00 0.15 H new ATOM 0 HB2 SER A 20 68.784 7.964 2.491 1.00 0.16 H new ATOM 0 HB3 SER A 20 68.756 9.210 1.258 1.00 0.16 H new ATOM 0 HG SER A 20 69.381 9.508 3.829 1.00 0.22 H new ATOM 293 N THR A 21 66.190 11.163 2.441 1.00 0.16 N ATOM 294 CA THR A 21 65.687 12.496 1.976 1.00 0.16 C ATOM 295 C THR A 21 66.906 13.387 1.711 1.00 0.15 C ATOM 296 O THR A 21 67.729 13.582 2.582 1.00 0.17 O ATOM 297 CB THR A 21 64.810 13.122 3.066 1.00 0.19 C ATOM 298 OG1 THR A 21 63.662 12.308 3.271 1.00 0.22 O ATOM 299 CG2 THR A 21 64.371 14.523 2.637 1.00 0.25 C ATOM 0 H THR A 21 66.448 11.122 3.427 1.00 0.16 H new ATOM 0 HA THR A 21 65.091 12.389 1.070 1.00 0.16 H new ATOM 0 HB THR A 21 65.380 13.193 3.992 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.100 12.705 3.969 1.00 0.22 H new ATOM 0 HG21 THR A 21 63.748 14.963 3.415 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.250 15.148 2.479 1.00 0.25 H new ATOM 0 HG23 THR A 21 63.801 14.458 1.710 1.00 0.25 H new ATOM 307 N CYS A 22 67.040 13.917 0.513 1.00 0.14 N ATOM 308 CA CYS A 22 68.227 14.780 0.186 1.00 0.15 C ATOM 309 C CYS A 22 67.791 16.186 -0.240 1.00 0.15 C ATOM 310 O CYS A 22 66.679 16.403 -0.684 1.00 0.16 O ATOM 311 CB CYS A 22 69.011 14.127 -0.954 1.00 0.14 C ATOM 312 SG CYS A 22 69.805 12.617 -0.342 1.00 0.14 S ATOM 0 H CYS A 22 66.378 13.789 -0.252 1.00 0.14 H new ATOM 0 HA CYS A 22 68.848 14.872 1.077 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.343 13.891 -1.782 1.00 0.14 H new ATOM 0 HB3 CYS A 22 69.762 14.818 -1.337 1.00 0.14 H new ATOM 317 N GLU A 23 68.676 17.140 -0.106 1.00 0.18 N ATOM 318 CA GLU A 23 68.356 18.545 -0.491 1.00 0.19 C ATOM 319 C GLU A 23 68.658 18.794 -1.973 1.00 0.19 C ATOM 320 O GLU A 23 69.648 18.348 -2.514 1.00 0.22 O ATOM 321 CB GLU A 23 69.182 19.514 0.355 1.00 0.24 C ATOM 322 CG GLU A 23 68.731 20.943 0.052 1.00 0.27 C ATOM 323 CD GLU A 23 69.394 21.911 1.033 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.146 21.450 1.876 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.137 23.099 0.926 1.00 0.35 O ATOM 0 H GLU A 23 69.619 17.002 0.259 1.00 0.18 H new ATOM 0 HA GLU A 23 67.292 18.708 -0.317 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.052 19.294 1.415 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.243 19.398 0.133 1.00 0.24 H new ATOM 0 HG2 GLU A 23 68.996 21.209 -0.971 1.00 0.27 H new ATOM 0 HG3 GLU A 23 67.646 21.017 0.130 1.00 0.27 H new ATOM 332 N ARG A 24 67.793 19.536 -2.611 1.00 0.20 N ATOM 333 CA ARG A 24 67.966 19.885 -4.053 1.00 0.23 C ATOM 334 C ARG A 24 68.926 21.069 -4.190 1.00 0.25 C ATOM 335 O ARG A 24 69.114 21.847 -3.276 1.00 0.24 O ATOM 336 CB ARG A 24 66.615 20.305 -4.634 1.00 0.24 C ATOM 337 CG ARG A 24 65.681 19.097 -4.724 1.00 0.34 C ATOM 338 CD ARG A 24 64.343 19.545 -5.318 1.00 0.51 C ATOM 339 NE ARG A 24 63.354 18.435 -5.215 1.00 0.97 N ATOM 340 CZ ARG A 24 62.087 18.669 -5.423 1.00 1.52 C ATOM 341 NH1 ARG A 24 61.688 19.872 -5.736 1.00 1.87 N ATOM 342 NH2 ARG A 24 61.220 17.698 -5.328 1.00 2.24 N ATOM 0 H ARG A 24 66.953 19.925 -2.183 1.00 0.20 H new ATOM 0 HA ARG A 24 68.362 19.018 -4.581 1.00 0.23 H new ATOM 0 HB2 ARG A 24 66.165 21.076 -4.008 1.00 0.24 H new ATOM 0 HB3 ARG A 24 66.756 20.740 -5.624 1.00 0.24 H new ATOM 0 HG2 ARG A 24 66.128 18.321 -5.345 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.528 18.665 -3.735 1.00 0.34 H new ATOM 0 HD2 ARG A 24 63.975 20.424 -4.789 1.00 0.51 H new ATOM 0 HD3 ARG A 24 64.475 19.833 -6.361 1.00 0.51 H new ATOM 0 HE ARG A 24 63.667 17.493 -4.982 1.00 0.97 H new ATOM 0 HH11 ARG A 24 62.367 20.629 -5.818 1.00 1.87 H new ATOM 0 HH12 ARG A 24 60.698 20.055 -5.899 1.00 1.87 H new ATOM 0 HH21 ARG A 24 61.533 16.756 -5.091 1.00 2.24 H new ATOM 0 HH22 ARG A 24 60.230 17.881 -5.491 1.00 2.24 H new ATOM 356 N THR A 25 69.538 21.193 -5.336 1.00 0.32 N ATOM 357 CA THR A 25 70.499 22.305 -5.582 1.00 0.37 C ATOM 358 C THR A 25 69.796 23.656 -5.421 1.00 0.34 C ATOM 359 O THR A 25 70.363 24.599 -4.906 1.00 0.35 O ATOM 360 CB THR A 25 71.052 22.188 -7.004 1.00 0.45 C ATOM 361 OG1 THR A 25 71.716 20.940 -7.150 1.00 1.12 O ATOM 362 CG2 THR A 25 72.040 23.327 -7.279 1.00 1.23 C ATOM 0 H THR A 25 69.410 20.560 -6.125 1.00 0.32 H new ATOM 0 HA THR A 25 71.313 22.240 -4.860 1.00 0.37 H new ATOM 0 HB THR A 25 70.228 22.252 -7.715 1.00 0.45 H new ATOM 0 HG1 THR A 25 72.070 20.862 -8.061 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.428 23.235 -8.293 1.00 1.23 H new ATOM 0 HG22 THR A 25 71.531 24.285 -7.171 1.00 1.23 H new ATOM 0 HG23 THR A 25 72.865 23.273 -6.569 1.00 1.23 H new ATOM 370 N ASN A 26 68.581 23.771 -5.888 1.00 0.32 N ATOM 371 CA ASN A 26 67.864 25.084 -5.782 1.00 0.30 C ATOM 372 C ASN A 26 67.022 25.129 -4.504 1.00 0.27 C ATOM 373 O ASN A 26 66.014 25.805 -4.439 1.00 0.25 O ATOM 374 CB ASN A 26 66.965 25.281 -7.005 1.00 0.31 C ATOM 375 CG ASN A 26 65.931 24.155 -7.074 1.00 1.30 C ATOM 376 OD1 ASN A 26 66.286 22.992 -7.545 1.00 1.98 O flip ATOM 377 ND2 ASN A 26 64.790 24.335 -6.698 1.00 2.23 N flip ATOM 0 H ASN A 26 68.054 23.021 -6.336 1.00 0.32 H new ATOM 0 HA ASN A 26 68.601 25.886 -5.743 1.00 0.30 H new ATOM 0 HB2 ASN A 26 66.462 26.246 -6.946 1.00 0.31 H new ATOM 0 HB3 ASN A 26 67.568 25.290 -7.913 1.00 0.31 H new ATOM 0 HD21 ASN A 26 64.512 25.245 -6.330 1.00 2.23 H new ATOM 0 HD22 ASN A 26 64.110 23.577 -6.751 1.00 2.23 H new ATOM 384 N GLY A 27 67.432 24.435 -3.478 1.00 0.27 N ATOM 385 CA GLY A 27 66.656 24.460 -2.206 1.00 0.26 C ATOM 386 C GLY A 27 65.435 23.543 -2.312 1.00 0.23 C ATOM 387 O GLY A 27 64.971 23.235 -3.390 1.00 0.22 O ATOM 0 H GLY A 27 68.269 23.853 -3.465 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.290 24.140 -1.379 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.337 25.479 -1.987 1.00 0.26 H new ATOM 391 N GLY A 28 64.961 23.053 -1.192 1.00 0.23 N ATOM 392 CA GLY A 28 63.810 22.088 -1.206 1.00 0.23 C ATOM 393 C GLY A 28 64.368 20.700 -0.865 1.00 0.23 C ATOM 394 O GLY A 28 65.554 20.470 -0.989 1.00 0.24 O ATOM 0 H GLY A 28 65.321 23.279 -0.265 1.00 0.23 H new ATOM 0 HA2 GLY A 28 63.052 22.385 -0.481 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.330 22.078 -2.184 1.00 0.23 H new ATOM 398 N TYR A 29 63.538 19.762 -0.464 1.00 0.22 N ATOM 399 CA TYR A 29 64.051 18.382 -0.148 1.00 0.21 C ATOM 400 C TYR A 29 63.504 17.377 -1.162 1.00 0.20 C ATOM 401 O TYR A 29 62.394 17.496 -1.639 1.00 0.21 O ATOM 402 CB TYR A 29 63.631 17.967 1.272 1.00 0.24 C ATOM 403 CG TYR A 29 64.563 18.604 2.284 1.00 0.27 C ATOM 404 CD1 TYR A 29 65.887 18.139 2.416 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.111 19.659 3.087 1.00 0.31 C ATOM 406 CE1 TYR A 29 66.743 18.734 3.351 1.00 0.32 C ATOM 407 CE2 TYR A 29 64.972 20.251 4.019 1.00 0.35 C ATOM 408 CZ TYR A 29 66.287 19.789 4.152 1.00 0.36 C ATOM 409 OH TYR A 29 67.134 20.373 5.071 1.00 0.42 O ATOM 0 H TYR A 29 62.533 19.889 -0.342 1.00 0.22 H new ATOM 0 HA TYR A 29 65.139 18.394 -0.204 1.00 0.21 H new ATOM 0 HB2 TYR A 29 62.604 18.277 1.463 1.00 0.24 H new ATOM 0 HB3 TYR A 29 63.660 16.882 1.368 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.240 17.327 1.798 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.097 20.016 2.987 1.00 0.31 H new ATOM 0 HE1 TYR A 29 67.758 18.379 3.455 1.00 0.32 H new ATOM 0 HE2 TYR A 29 64.621 21.065 4.636 1.00 0.35 H new ATOM 0 HH TYR A 29 66.661 21.090 5.543 1.00 0.42 H new ATOM 419 N ASN A 30 64.297 16.386 -1.490 1.00 0.19 N ATOM 420 CA ASN A 30 63.876 15.342 -2.480 1.00 0.20 C ATOM 421 C ASN A 30 63.969 13.964 -1.821 1.00 0.19 C ATOM 422 O ASN A 30 64.795 13.742 -0.959 1.00 0.21 O ATOM 423 CB ASN A 30 64.821 15.397 -3.686 1.00 0.23 C ATOM 424 CG ASN A 30 64.439 14.312 -4.698 1.00 0.27 C ATOM 425 OD1 ASN A 30 63.308 13.872 -4.737 1.00 0.42 O ATOM 426 ND2 ASN A 30 65.345 13.863 -5.529 1.00 0.35 N ATOM 0 H ASN A 30 65.233 16.253 -1.108 1.00 0.19 H new ATOM 0 HA ASN A 30 62.851 15.522 -2.806 1.00 0.20 H new ATOM 0 HB2 ASN A 30 64.768 16.379 -4.156 1.00 0.23 H new ATOM 0 HB3 ASN A 30 65.851 15.255 -3.359 1.00 0.23 H new ATOM 0 HD21 ASN A 30 65.101 13.143 -6.209 1.00 0.35 H new ATOM 0 HD22 ASN A 30 66.295 14.233 -5.496 1.00 0.35 H new ATOM 433 N THR A 31 63.122 13.038 -2.215 1.00 0.18 N ATOM 434 CA THR A 31 63.139 11.665 -1.607 1.00 0.17 C ATOM 435 C THR A 31 63.415 10.655 -2.725 1.00 0.15 C ATOM 436 O THR A 31 62.779 10.693 -3.759 1.00 0.17 O ATOM 437 CB THR A 31 61.753 11.425 -0.997 1.00 0.21 C ATOM 438 OG1 THR A 31 61.507 12.412 -0.006 1.00 0.28 O ATOM 439 CG2 THR A 31 61.633 10.039 -0.359 1.00 0.23 C ATOM 0 H THR A 31 62.415 13.176 -2.937 1.00 0.18 H new ATOM 0 HA THR A 31 63.905 11.562 -0.839 1.00 0.17 H new ATOM 0 HB THR A 31 61.020 11.486 -1.802 1.00 0.21 H new ATOM 0 HG1 THR A 31 60.622 12.266 0.388 1.00 0.28 H new ATOM 0 HG21 THR A 31 60.634 9.916 0.059 1.00 0.23 H new ATOM 0 HG22 THR A 31 61.806 9.274 -1.116 1.00 0.23 H new ATOM 0 HG23 THR A 31 62.373 9.938 0.435 1.00 0.23 H new ATOM 447 N SER A 32 64.355 9.762 -2.554 1.00 0.15 N ATOM 448 CA SER A 32 64.642 8.791 -3.654 1.00 0.16 C ATOM 449 C SER A 32 65.226 7.489 -3.097 1.00 0.16 C ATOM 450 O SER A 32 65.673 7.413 -1.970 1.00 0.17 O ATOM 451 CB SER A 32 65.639 9.417 -4.629 1.00 0.20 C ATOM 452 OG SER A 32 66.913 9.510 -4.004 1.00 0.27 O ATOM 0 H SER A 32 64.928 9.662 -1.716 1.00 0.15 H new ATOM 0 HA SER A 32 63.708 8.559 -4.166 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.708 8.813 -5.534 1.00 0.20 H new ATOM 0 HB3 SER A 32 65.297 10.407 -4.932 1.00 0.20 H new ATOM 0 HG SER A 32 67.512 10.050 -4.561 1.00 0.27 H new ATOM 458 N SER A 33 65.211 6.461 -3.907 1.00 0.16 N ATOM 459 CA SER A 33 65.746 5.133 -3.482 1.00 0.16 C ATOM 460 C SER A 33 66.520 4.483 -4.634 1.00 0.14 C ATOM 461 O SER A 33 66.210 4.672 -5.793 1.00 0.15 O ATOM 462 CB SER A 33 64.577 4.225 -3.089 1.00 0.18 C ATOM 463 OG SER A 33 63.941 4.754 -1.931 1.00 0.24 O ATOM 0 H SER A 33 64.845 6.487 -4.859 1.00 0.16 H new ATOM 0 HA SER A 33 66.417 5.272 -2.634 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.864 4.155 -3.910 1.00 0.18 H new ATOM 0 HB3 SER A 33 64.936 3.215 -2.892 1.00 0.18 H new ATOM 0 HG SER A 33 64.230 4.252 -1.141 1.00 0.24 H new ATOM 469 N ILE A 34 67.521 3.702 -4.313 1.00 0.14 N ATOM 470 CA ILE A 34 68.327 3.014 -5.371 1.00 0.14 C ATOM 471 C ILE A 34 68.699 1.609 -4.890 1.00 0.13 C ATOM 472 O ILE A 34 68.966 1.392 -3.724 1.00 0.16 O ATOM 473 CB ILE A 34 69.604 3.814 -5.638 1.00 0.17 C ATOM 474 CG1 ILE A 34 70.373 3.170 -6.795 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.478 3.817 -4.382 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.442 4.139 -7.302 1.00 0.28 C ATOM 0 H ILE A 34 67.817 3.509 -3.356 1.00 0.14 H new ATOM 0 HA ILE A 34 67.743 2.944 -6.288 1.00 0.14 H new ATOM 0 HB ILE A 34 69.344 4.840 -5.899 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.837 2.241 -6.464 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.687 2.914 -7.603 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.387 4.387 -4.573 1.00 0.17 H new ATOM 0 HG22 ILE A 34 69.930 4.274 -3.558 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.741 2.792 -4.119 1.00 0.17 H new ATOM 0 HD11 ILE A 34 71.989 3.679 -8.125 1.00 0.28 H new ATOM 0 HD12 ILE A 34 70.966 5.056 -7.649 1.00 0.28 H new ATOM 0 HD13 ILE A 34 72.134 4.373 -6.493 1.00 0.28 H new ATOM 488 N ASP A 35 68.714 0.648 -5.776 1.00 0.14 N ATOM 489 CA ASP A 35 69.058 -0.747 -5.366 1.00 0.14 C ATOM 490 C ASP A 35 70.584 -0.908 -5.312 1.00 0.13 C ATOM 491 O ASP A 35 71.261 -0.806 -6.314 1.00 0.14 O ATOM 492 CB ASP A 35 68.474 -1.730 -6.385 1.00 0.15 C ATOM 493 CG ASP A 35 68.480 -3.143 -5.794 1.00 0.16 C ATOM 494 OD1 ASP A 35 69.003 -3.305 -4.704 1.00 0.18 O ATOM 495 OD2 ASP A 35 67.964 -4.037 -6.444 1.00 0.20 O ATOM 0 H ASP A 35 68.503 0.768 -6.767 1.00 0.14 H new ATOM 0 HA ASP A 35 68.641 -0.951 -4.380 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.457 -1.438 -6.646 1.00 0.15 H new ATOM 0 HB3 ASP A 35 69.058 -1.707 -7.305 1.00 0.15 H new ATOM 500 N LEU A 36 71.129 -1.179 -4.154 1.00 0.13 N ATOM 501 CA LEU A 36 72.611 -1.360 -4.042 1.00 0.14 C ATOM 502 C LEU A 36 72.982 -2.770 -4.505 1.00 0.13 C ATOM 503 O LEU A 36 74.139 -3.107 -4.665 1.00 0.13 O ATOM 504 CB LEU A 36 73.045 -1.203 -2.581 1.00 0.16 C ATOM 505 CG LEU A 36 72.678 0.191 -2.057 1.00 0.17 C ATOM 506 CD1 LEU A 36 72.907 0.232 -0.543 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.552 1.258 -2.734 1.00 0.24 C ATOM 0 H LEU A 36 70.613 -1.283 -3.280 1.00 0.13 H new ATOM 0 HA LEU A 36 73.108 -0.612 -4.659 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.564 -1.966 -1.969 1.00 0.16 H new ATOM 0 HB3 LEU A 36 74.121 -1.358 -2.497 1.00 0.16 H new ATOM 0 HG LEU A 36 71.631 0.396 -2.282 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.648 1.220 -0.163 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.281 -0.518 -0.060 1.00 0.22 H new ATOM 0 HD13 LEU A 36 73.955 0.023 -0.328 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.283 2.244 -2.354 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.602 1.060 -2.517 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.393 1.229 -3.812 1.00 0.24 H new ATOM 519 N ASN A 37 72.004 -3.600 -4.710 1.00 0.13 N ATOM 520 CA ASN A 37 72.282 -4.997 -5.142 1.00 0.12 C ATOM 521 C ASN A 37 73.033 -5.010 -6.477 1.00 0.11 C ATOM 522 O ASN A 37 73.877 -5.852 -6.712 1.00 0.11 O ATOM 523 CB ASN A 37 70.963 -5.758 -5.289 1.00 0.14 C ATOM 524 CG ASN A 37 71.256 -7.193 -5.724 1.00 0.15 C ATOM 525 OD1 ASN A 37 71.847 -7.419 -6.762 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.871 -8.180 -4.962 1.00 0.22 N ATOM 0 H ASN A 37 71.016 -3.372 -4.597 1.00 0.13 H new ATOM 0 HA ASN A 37 72.904 -5.479 -4.388 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.421 -5.756 -4.343 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.325 -5.266 -6.023 1.00 0.14 H new ATOM 0 HD21 ASN A 37 71.066 -9.143 -5.237 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.375 -7.989 -4.091 1.00 0.22 H new ATOM 533 N SER A 38 72.713 -4.117 -7.371 1.00 0.12 N ATOM 534 CA SER A 38 73.381 -4.106 -8.705 1.00 0.12 C ATOM 535 C SER A 38 74.830 -3.596 -8.638 1.00 0.12 C ATOM 536 O SER A 38 75.471 -3.469 -9.662 1.00 0.13 O ATOM 537 CB SER A 38 72.583 -3.200 -9.642 1.00 0.12 C ATOM 538 OG SER A 38 72.728 -1.849 -9.226 1.00 1.29 O ATOM 0 H SER A 38 72.012 -3.388 -7.235 1.00 0.12 H new ATOM 0 HA SER A 38 73.412 -5.133 -9.069 1.00 0.12 H new ATOM 0 HB2 SER A 38 72.936 -3.317 -10.667 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.531 -3.484 -9.633 1.00 0.12 H new ATOM 0 HG SER A 38 72.219 -1.265 -9.826 1.00 1.29 H new ATOM 544 N VAL A 39 75.358 -3.258 -7.478 1.00 0.12 N ATOM 545 CA VAL A 39 76.771 -2.728 -7.435 1.00 0.13 C ATOM 546 C VAL A 39 77.605 -3.385 -6.319 1.00 0.14 C ATOM 547 O VAL A 39 78.793 -3.145 -6.233 1.00 0.16 O ATOM 548 CB VAL A 39 76.728 -1.207 -7.207 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.391 -0.493 -8.521 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.655 -0.877 -6.170 1.00 0.17 C ATOM 0 H VAL A 39 74.885 -3.323 -6.576 1.00 0.12 H new ATOM 0 HA VAL A 39 77.247 -2.966 -8.386 1.00 0.13 H new ATOM 0 HB VAL A 39 77.702 -0.873 -6.851 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.362 0.584 -8.353 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.152 -0.724 -9.266 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.419 -0.831 -8.880 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.624 0.201 -6.008 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.684 -1.218 -6.530 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.890 -1.378 -5.231 1.00 0.17 H new ATOM 560 N ILE A 40 77.015 -4.194 -5.462 1.00 0.14 N ATOM 561 CA ILE A 40 77.814 -4.828 -4.342 1.00 0.15 C ATOM 562 C ILE A 40 77.787 -6.363 -4.411 1.00 0.13 C ATOM 563 O ILE A 40 76.770 -6.980 -4.653 1.00 0.13 O ATOM 564 CB ILE A 40 77.268 -4.320 -3.001 1.00 0.17 C ATOM 565 CG1 ILE A 40 77.590 -2.820 -2.900 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.946 -5.045 -1.835 1.00 0.17 C ATOM 567 CD1 ILE A 40 76.797 -2.140 -1.776 1.00 0.27 C ATOM 0 H ILE A 40 76.026 -4.444 -5.484 1.00 0.14 H new ATOM 0 HA ILE A 40 78.860 -4.539 -4.446 1.00 0.15 H new ATOM 0 HB ILE A 40 76.194 -4.502 -2.951 1.00 0.17 H new ATOM 0 HG12 ILE A 40 78.657 -2.689 -2.722 1.00 0.24 H new ATOM 0 HG13 ILE A 40 77.363 -2.335 -3.849 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.546 -4.671 -0.892 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.755 -6.115 -1.912 1.00 0.17 H new ATOM 0 HG23 ILE A 40 79.020 -4.865 -1.870 1.00 0.17 H new ATOM 0 HD11 ILE A 40 77.054 -1.081 -1.739 1.00 0.27 H new ATOM 0 HD12 ILE A 40 75.729 -2.248 -1.967 1.00 0.27 H new ATOM 0 HD13 ILE A 40 77.044 -2.607 -0.823 1.00 0.27 H new ATOM 579 N GLU A 41 78.943 -6.966 -4.202 1.00 0.14 N ATOM 580 CA GLU A 41 79.084 -8.464 -4.247 1.00 0.13 C ATOM 581 C GLU A 41 79.657 -8.969 -2.916 1.00 0.12 C ATOM 582 O GLU A 41 80.265 -8.232 -2.170 1.00 0.12 O ATOM 583 CB GLU A 41 80.059 -8.835 -5.382 1.00 0.16 C ATOM 584 CG GLU A 41 80.631 -10.251 -5.195 1.00 0.19 C ATOM 585 CD GLU A 41 81.279 -10.713 -6.501 1.00 0.24 C ATOM 586 OE1 GLU A 41 81.581 -9.861 -7.321 1.00 0.33 O ATOM 587 OE2 GLU A 41 81.458 -11.909 -6.661 1.00 0.30 O ATOM 0 H GLU A 41 79.811 -6.471 -3.998 1.00 0.14 H new ATOM 0 HA GLU A 41 78.109 -8.919 -4.419 1.00 0.13 H new ATOM 0 HB2 GLU A 41 79.543 -8.774 -6.340 1.00 0.16 H new ATOM 0 HB3 GLU A 41 80.875 -8.113 -5.412 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.366 -10.255 -4.390 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.838 -10.940 -4.906 1.00 0.19 H new ATOM 594 N ASN A 42 79.498 -10.242 -2.647 1.00 0.12 N ATOM 595 CA ASN A 42 80.053 -10.862 -1.409 1.00 0.12 C ATOM 596 C ASN A 42 81.343 -11.591 -1.791 1.00 0.12 C ATOM 597 O ASN A 42 81.320 -12.506 -2.591 1.00 0.12 O ATOM 598 CB ASN A 42 79.037 -11.871 -0.868 1.00 0.14 C ATOM 599 CG ASN A 42 79.538 -12.454 0.456 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.499 -11.973 1.022 1.00 0.19 O ATOM 601 ND2 ASN A 42 78.919 -13.478 0.975 1.00 0.27 N ATOM 0 H ASN A 42 78.994 -10.891 -3.251 1.00 0.12 H new ATOM 0 HA ASN A 42 80.255 -10.108 -0.648 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.072 -11.386 -0.720 1.00 0.14 H new ATOM 0 HB3 ASN A 42 78.884 -12.670 -1.593 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.242 -13.876 1.857 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.112 -13.881 0.499 1.00 0.27 H new ATOM 608 N VAL A 43 82.472 -11.206 -1.231 1.00 0.12 N ATOM 609 CA VAL A 43 83.763 -11.896 -1.580 1.00 0.14 C ATOM 610 C VAL A 43 84.313 -12.648 -0.366 1.00 0.13 C ATOM 611 O VAL A 43 84.907 -12.088 0.533 1.00 0.13 O ATOM 612 CB VAL A 43 84.791 -10.861 -2.047 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.125 -11.563 -2.323 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.290 -10.188 -3.335 1.00 0.22 C ATOM 0 H VAL A 43 82.555 -10.449 -0.552 1.00 0.12 H new ATOM 0 HA VAL A 43 83.571 -12.610 -2.381 1.00 0.14 H new ATOM 0 HB VAL A 43 84.928 -10.106 -1.273 1.00 0.16 H new ATOM 0 HG11 VAL A 43 86.860 -10.830 -2.656 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.479 -12.043 -1.411 1.00 0.21 H new ATOM 0 HG13 VAL A 43 85.986 -12.316 -3.099 1.00 0.21 H new ATOM 0 HG21 VAL A 43 85.021 -9.451 -3.668 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.155 -10.942 -4.111 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.338 -9.693 -3.141 1.00 0.22 H new ATOM 624 N ASP A 44 84.128 -13.934 -0.376 1.00 0.13 N ATOM 625 CA ASP A 44 84.632 -14.815 0.712 1.00 0.14 C ATOM 626 C ASP A 44 84.402 -14.210 2.104 1.00 0.13 C ATOM 627 O ASP A 44 85.238 -14.346 2.974 1.00 0.14 O ATOM 628 CB ASP A 44 86.127 -15.074 0.500 1.00 0.16 C ATOM 629 CG ASP A 44 86.600 -16.173 1.456 1.00 0.17 C ATOM 630 OD1 ASP A 44 85.839 -16.533 2.340 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.716 -16.636 1.288 1.00 0.23 O ATOM 0 H ASP A 44 83.632 -14.428 -1.118 1.00 0.13 H new ATOM 0 HA ASP A 44 84.074 -15.750 0.669 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.312 -15.372 -0.532 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.693 -14.159 0.674 1.00 0.16 H new ATOM 636 N GLY A 45 83.265 -13.586 2.347 1.00 0.14 N ATOM 637 CA GLY A 45 82.992 -13.031 3.722 1.00 0.16 C ATOM 638 C GLY A 45 82.744 -11.515 3.737 1.00 0.14 C ATOM 639 O GLY A 45 82.114 -11.027 4.655 1.00 0.13 O ATOM 0 H GLY A 45 82.523 -13.438 1.663 1.00 0.14 H new ATOM 0 HA2 GLY A 45 82.123 -13.537 4.142 1.00 0.16 H new ATOM 0 HA3 GLY A 45 83.838 -13.258 4.371 1.00 0.16 H new ATOM 643 N SER A 46 83.256 -10.742 2.799 1.00 0.14 N ATOM 644 CA SER A 46 83.068 -9.246 2.866 1.00 0.14 C ATOM 645 C SER A 46 82.347 -8.684 1.641 1.00 0.13 C ATOM 646 O SER A 46 82.527 -9.128 0.525 1.00 0.15 O ATOM 647 CB SER A 46 84.444 -8.586 2.953 1.00 0.16 C ATOM 648 OG SER A 46 85.085 -8.996 4.155 1.00 1.34 O ATOM 0 H SER A 46 83.791 -11.076 1.997 1.00 0.14 H new ATOM 0 HA SER A 46 82.454 -9.033 3.741 1.00 0.14 H new ATOM 0 HB2 SER A 46 85.049 -8.865 2.091 1.00 0.16 H new ATOM 0 HB3 SER A 46 84.342 -7.501 2.933 1.00 0.16 H new ATOM 0 HG SER A 46 85.969 -8.576 4.214 1.00 1.34 H new ATOM 654 N LEU A 47 81.571 -7.657 1.861 1.00 0.12 N ATOM 655 CA LEU A 47 80.852 -6.977 0.748 1.00 0.12 C ATOM 656 C LEU A 47 81.837 -6.087 -0.017 1.00 0.13 C ATOM 657 O LEU A 47 82.553 -5.296 0.565 1.00 0.15 O ATOM 658 CB LEU A 47 79.737 -6.099 1.330 1.00 0.14 C ATOM 659 CG LEU A 47 78.791 -6.951 2.183 1.00 0.15 C ATOM 660 CD1 LEU A 47 77.736 -6.046 2.827 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.098 -8.004 1.302 1.00 0.25 C ATOM 0 H LEU A 47 81.403 -7.254 2.783 1.00 0.12 H new ATOM 0 HA LEU A 47 80.425 -7.722 0.077 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.169 -5.303 1.936 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.181 -5.620 0.524 1.00 0.14 H new ATOM 0 HG LEU A 47 79.363 -7.457 2.960 1.00 0.15 H new ATOM 0 HD11 LEU A 47 77.061 -6.649 3.435 1.00 0.25 H new ATOM 0 HD12 LEU A 47 78.228 -5.305 3.457 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.167 -5.539 2.048 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.427 -8.606 1.914 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.526 -7.505 0.520 1.00 0.25 H new ATOM 0 HD23 LEU A 47 78.850 -8.648 0.846 1.00 0.25 H new ATOM 673 N LYS A 48 81.866 -6.211 -1.328 1.00 0.13 N ATOM 674 CA LYS A 48 82.793 -5.376 -2.166 1.00 0.16 C ATOM 675 C LYS A 48 81.973 -4.631 -3.220 1.00 0.15 C ATOM 676 O LYS A 48 80.859 -4.998 -3.505 1.00 0.14 O ATOM 677 CB LYS A 48 83.821 -6.270 -2.874 1.00 0.21 C ATOM 678 CG LYS A 48 84.745 -6.941 -1.839 1.00 0.28 C ATOM 679 CD LYS A 48 86.097 -7.307 -2.490 1.00 0.87 C ATOM 680 CE LYS A 48 87.051 -6.106 -2.442 1.00 1.19 C ATOM 681 NZ LYS A 48 88.393 -6.524 -2.937 1.00 1.84 N ATOM 0 H LYS A 48 81.283 -6.860 -1.856 1.00 0.13 H new ATOM 0 HA LYS A 48 83.318 -4.670 -1.523 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.308 -7.031 -3.462 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.413 -5.675 -3.570 1.00 0.21 H new ATOM 0 HG2 LYS A 48 84.909 -6.269 -0.997 1.00 0.28 H new ATOM 0 HG3 LYS A 48 84.269 -7.838 -1.443 1.00 0.28 H new ATOM 0 HD2 LYS A 48 86.542 -8.155 -1.969 1.00 0.87 H new ATOM 0 HD3 LYS A 48 85.940 -7.615 -3.524 1.00 0.87 H new ATOM 0 HE2 LYS A 48 86.662 -5.293 -3.055 1.00 1.19 H new ATOM 0 HE3 LYS A 48 87.128 -5.728 -1.422 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 89.043 -5.712 -2.906 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 88.763 -7.287 -2.335 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 88.311 -6.865 -3.916 1.00 1.84 H new ATOM 695 N TRP A 49 82.516 -3.594 -3.796 1.00 0.14 N ATOM 696 CA TRP A 49 81.750 -2.818 -4.827 1.00 0.13 C ATOM 697 C TRP A 49 81.734 -3.549 -6.183 1.00 0.13 C ATOM 698 O TRP A 49 82.504 -3.233 -7.068 1.00 0.13 O ATOM 699 CB TRP A 49 82.408 -1.444 -5.016 1.00 0.13 C ATOM 700 CG TRP A 49 82.078 -0.561 -3.856 1.00 0.13 C ATOM 701 CD1 TRP A 49 82.954 -0.168 -2.903 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.797 0.045 -3.513 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.293 0.641 -1.996 1.00 0.14 N ATOM 704 CE2 TRP A 49 80.963 0.803 -2.330 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.521 0.011 -4.107 1.00 0.18 C ATOM 706 CZ2 TRP A 49 79.906 1.504 -1.758 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.450 0.717 -3.530 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.644 1.465 -2.360 1.00 0.20 C ATOM 0 H TRP A 49 83.455 -3.247 -3.602 1.00 0.14 H new ATOM 0 HA TRP A 49 80.723 -2.711 -4.477 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.489 -1.557 -5.103 1.00 0.13 H new ATOM 0 HB3 TRP A 49 82.060 -0.988 -5.943 1.00 0.13 H new ATOM 0 HD1 TRP A 49 83.998 -0.441 -2.858 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.734 1.066 -1.180 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.364 -0.560 -5.010 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 80.059 2.075 -0.854 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.474 0.683 -3.990 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.820 2.010 -1.924 1.00 0.20 H new ATOM 719 N GLN A 50 80.862 -4.509 -6.360 1.00 0.12 N ATOM 720 CA GLN A 50 80.796 -5.243 -7.666 1.00 0.13 C ATOM 721 C GLN A 50 79.466 -6.033 -7.701 1.00 0.12 C ATOM 722 O GLN A 50 79.074 -6.596 -6.704 1.00 0.13 O ATOM 723 CB GLN A 50 81.995 -6.204 -7.753 1.00 0.16 C ATOM 724 CG GLN A 50 82.265 -6.613 -9.202 1.00 0.26 C ATOM 725 CD GLN A 50 83.584 -7.387 -9.264 1.00 1.10 C ATOM 726 OE1 GLN A 50 83.928 -8.146 -8.261 1.00 1.88 O flip ATOM 727 NE2 GLN A 50 84.309 -7.301 -10.236 1.00 1.92 N flip ATOM 0 H GLN A 50 80.191 -4.819 -5.657 1.00 0.12 H new ATOM 0 HA GLN A 50 80.835 -4.555 -8.510 1.00 0.13 H new ATOM 0 HB2 GLN A 50 82.881 -5.725 -7.335 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.799 -7.091 -7.151 1.00 0.16 H new ATOM 0 HG2 GLN A 50 81.449 -7.230 -9.577 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.316 -5.730 -9.839 1.00 0.26 H new ATOM 0 HE21 GLN A 50 84.041 -6.708 -11.021 1.00 1.92 H new ATOM 0 HE22 GLN A 50 85.185 -7.822 -10.266 1.00 1.92 H new ATOM 736 N PRO A 51 78.749 -6.057 -8.814 1.00 0.11 N ATOM 737 CA PRO A 51 77.432 -6.784 -8.902 1.00 0.11 C ATOM 738 C PRO A 51 77.548 -8.316 -8.780 1.00 0.12 C ATOM 739 O PRO A 51 78.392 -8.932 -9.397 1.00 0.14 O ATOM 740 CB PRO A 51 76.894 -6.403 -10.296 1.00 0.13 C ATOM 741 CG PRO A 51 78.103 -6.024 -11.090 1.00 0.15 C ATOM 742 CD PRO A 51 79.085 -5.401 -10.098 1.00 0.14 C ATOM 0 HA PRO A 51 76.783 -6.498 -8.074 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.366 -7.238 -10.756 1.00 0.13 H new ATOM 0 HB3 PRO A 51 76.188 -5.575 -10.233 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.540 -6.897 -11.575 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.845 -5.317 -11.879 1.00 0.15 H new ATOM 0 HD2 PRO A 51 80.119 -5.590 -10.386 1.00 0.14 H new ATOM 0 HD3 PRO A 51 78.963 -4.319 -10.039 1.00 0.14 H new ATOM 750 N SER A 52 76.665 -8.921 -8.013 1.00 0.11 N ATOM 751 CA SER A 52 76.660 -10.413 -7.850 1.00 0.12 C ATOM 752 C SER A 52 75.474 -10.818 -6.970 1.00 0.15 C ATOM 753 O SER A 52 75.412 -11.929 -6.484 1.00 0.32 O ATOM 754 CB SER A 52 77.934 -10.892 -7.155 1.00 0.12 C ATOM 755 OG SER A 52 79.080 -10.495 -7.892 1.00 0.29 O ATOM 0 H SER A 52 75.938 -8.436 -7.487 1.00 0.11 H new ATOM 0 HA SER A 52 76.593 -10.861 -8.841 1.00 0.12 H new ATOM 0 HB2 SER A 52 77.982 -10.481 -6.147 1.00 0.12 H new ATOM 0 HB3 SER A 52 77.916 -11.977 -7.056 1.00 0.12 H new ATOM 0 HG SER A 52 78.804 -10.157 -8.769 1.00 0.29 H new ATOM 761 N ASN A 53 74.550 -9.923 -6.736 1.00 0.16 N ATOM 762 CA ASN A 53 73.388 -10.261 -5.866 1.00 0.16 C ATOM 763 C ASN A 53 73.904 -10.646 -4.473 1.00 0.10 C ATOM 764 O ASN A 53 73.706 -11.749 -4.005 1.00 0.12 O ATOM 765 CB ASN A 53 72.600 -11.426 -6.479 1.00 0.23 C ATOM 766 CG ASN A 53 71.213 -11.496 -5.840 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.921 -10.768 -4.912 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.337 -12.347 -6.302 1.00 0.48 N ATOM 0 H ASN A 53 74.551 -8.974 -7.110 1.00 0.16 H new ATOM 0 HA ASN A 53 72.726 -9.399 -5.783 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.509 -11.290 -7.557 1.00 0.23 H new ATOM 0 HB3 ASN A 53 73.133 -12.363 -6.320 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.408 -12.400 -5.884 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.582 -12.958 -7.081 1.00 0.48 H new ATOM 775 N PHE A 54 74.592 -9.744 -3.824 1.00 0.09 N ATOM 776 CA PHE A 54 75.161 -10.043 -2.472 1.00 0.09 C ATOM 777 C PHE A 54 74.056 -10.404 -1.466 1.00 0.09 C ATOM 778 O PHE A 54 74.223 -11.273 -0.630 1.00 0.14 O ATOM 779 CB PHE A 54 75.946 -8.816 -1.962 1.00 0.11 C ATOM 780 CG PHE A 54 75.011 -7.782 -1.352 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.672 -7.870 0.008 1.00 0.11 C ATOM 782 CD2 PHE A 54 74.492 -6.739 -2.134 1.00 0.12 C ATOM 783 CE1 PHE A 54 73.816 -6.921 0.584 1.00 0.12 C ATOM 784 CE2 PHE A 54 73.634 -5.788 -1.554 1.00 0.13 C ATOM 785 CZ PHE A 54 73.297 -5.881 -0.197 1.00 0.12 C ATOM 0 H PHE A 54 74.787 -8.806 -4.173 1.00 0.09 H new ATOM 0 HA PHE A 54 75.827 -10.901 -2.564 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.678 -9.132 -1.219 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.501 -8.368 -2.786 1.00 0.11 H new ATOM 0 HD1 PHE A 54 75.072 -8.671 0.612 1.00 0.11 H new ATOM 0 HD2 PHE A 54 74.751 -6.667 -3.180 1.00 0.12 H new ATOM 0 HE1 PHE A 54 73.557 -6.992 1.630 1.00 0.12 H new ATOM 0 HE2 PHE A 54 73.234 -4.985 -2.155 1.00 0.13 H new ATOM 0 HZ PHE A 54 72.637 -5.150 0.247 1.00 0.12 H new ATOM 795 N ILE A 55 72.947 -9.722 -1.513 1.00 11.77 N ATOM 796 CA ILE A 55 71.869 -10.004 -0.528 1.00 13.68 C ATOM 797 C ILE A 55 71.426 -11.465 -0.633 1.00 0.11 C ATOM 798 O ILE A 55 70.918 -12.035 0.311 1.00 0.12 O ATOM 799 CB ILE A 55 70.688 -9.045 -0.763 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.808 -8.952 0.507 1.00 16.46 C ATOM 801 CG2 ILE A 55 69.827 -9.493 -1.949 1.00 20.33 C ATOM 802 CD1 ILE A 55 70.396 -7.930 1.494 1.00 19.63 C ATOM 0 H ILE A 55 72.741 -8.985 -2.188 1.00 11.77 H new ATOM 0 HA ILE A 55 72.248 -9.842 0.481 1.00 13.68 H new ATOM 0 HB ILE A 55 71.105 -8.064 -0.992 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.794 -8.661 0.234 1.00 16.46 H new ATOM 0 HG13 ILE A 55 69.741 -9.930 0.983 1.00 16.46 H new ATOM 0 HG21 ILE A 55 69.003 -8.793 -2.085 1.00 20.33 H new ATOM 0 HG22 ILE A 55 70.436 -9.517 -2.852 1.00 20.33 H new ATOM 0 HG23 ILE A 55 69.429 -10.489 -1.754 1.00 20.33 H new ATOM 0 HD11 ILE A 55 69.765 -7.877 2.381 1.00 19.63 H new ATOM 0 HD12 ILE A 55 71.401 -8.238 1.781 1.00 19.63 H new ATOM 0 HD13 ILE A 55 70.439 -6.949 1.020 1.00 19.63 H new ATOM 814 N GLU A 56 71.628 -12.080 -1.761 1.00 0.13 N ATOM 815 CA GLU A 56 71.228 -13.508 -1.896 1.00 0.15 C ATOM 816 C GLU A 56 72.023 -14.338 -0.879 1.00 0.13 C ATOM 817 O GLU A 56 71.550 -15.354 -0.407 1.00 0.14 O ATOM 818 CB GLU A 56 71.526 -14.008 -3.310 1.00 0.19 C ATOM 819 CG GLU A 56 71.017 -15.443 -3.458 1.00 0.23 C ATOM 820 CD GLU A 56 71.238 -15.918 -4.896 1.00 1.10 C ATOM 821 OE1 GLU A 56 71.581 -15.091 -5.725 1.00 1.62 O ATOM 822 OE2 GLU A 56 71.068 -17.101 -5.142 1.00 1.40 O ATOM 0 H GLU A 56 72.049 -11.662 -2.590 1.00 0.13 H new ATOM 0 HA GLU A 56 70.159 -13.607 -1.709 1.00 0.15 H new ATOM 0 HB2 GLU A 56 71.046 -13.362 -4.045 1.00 0.19 H new ATOM 0 HB3 GLU A 56 72.598 -13.969 -3.503 1.00 0.19 H new ATOM 0 HG2 GLU A 56 71.540 -16.099 -2.763 1.00 0.23 H new ATOM 0 HG3 GLU A 56 69.958 -15.492 -3.206 1.00 0.23 H new ATOM 829 N THR A 57 73.226 -13.919 -0.551 1.00 0.12 N ATOM 830 CA THR A 57 74.055 -14.707 0.438 1.00 0.11 C ATOM 831 C THR A 57 74.330 -13.880 1.702 1.00 0.11 C ATOM 832 O THR A 57 75.207 -14.204 2.476 1.00 0.11 O ATOM 833 CB THR A 57 75.384 -15.121 -0.202 1.00 0.13 C ATOM 834 OG1 THR A 57 76.091 -13.961 -0.615 1.00 0.14 O ATOM 835 CG2 THR A 57 75.118 -16.020 -1.411 1.00 0.18 C ATOM 0 H THR A 57 73.670 -13.077 -0.917 1.00 0.12 H new ATOM 0 HA THR A 57 73.493 -15.598 0.718 1.00 0.11 H new ATOM 0 HB THR A 57 75.981 -15.670 0.527 1.00 0.13 H new ATOM 0 HG1 THR A 57 76.860 -14.224 -1.162 1.00 0.14 H new ATOM 0 HG21 THR A 57 76.066 -16.312 -1.863 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.579 -16.912 -1.090 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.519 -15.478 -2.143 1.00 0.18 H new ATOM 843 N CYS A 58 73.581 -12.829 1.933 1.00 0.10 N ATOM 844 CA CYS A 58 73.791 -11.998 3.166 1.00 0.11 C ATOM 845 C CYS A 58 72.439 -11.737 3.834 1.00 0.10 C ATOM 846 O CYS A 58 71.403 -11.769 3.198 1.00 0.10 O ATOM 847 CB CYS A 58 74.462 -10.673 2.800 1.00 0.11 C ATOM 848 SG CYS A 58 76.113 -11.002 2.128 1.00 0.12 S ATOM 0 H CYS A 58 72.831 -12.508 1.321 1.00 0.10 H new ATOM 0 HA CYS A 58 74.440 -12.534 3.858 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.859 -10.137 2.067 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.536 -10.034 3.680 1.00 0.11 H new ATOM 853 N ARG A 59 72.439 -11.518 5.125 1.00 0.11 N ATOM 854 CA ARG A 59 71.154 -11.294 5.860 1.00 0.11 C ATOM 855 C ARG A 59 71.330 -10.212 6.929 1.00 0.12 C ATOM 856 O ARG A 59 72.410 -9.696 7.141 1.00 0.12 O ATOM 857 CB ARG A 59 70.748 -12.603 6.546 1.00 0.12 C ATOM 858 CG ARG A 59 71.820 -13.002 7.564 1.00 0.15 C ATOM 859 CD ARG A 59 71.543 -14.420 8.067 1.00 0.17 C ATOM 860 NE ARG A 59 72.544 -14.779 9.112 1.00 0.25 N ATOM 861 CZ ARG A 59 72.352 -15.823 9.874 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.298 -16.573 9.698 1.00 0.31 N ATOM 863 NH2 ARG A 59 73.218 -16.120 10.804 1.00 0.39 N ATOM 0 H ARG A 59 73.277 -11.484 5.705 1.00 0.11 H new ATOM 0 HA ARG A 59 70.389 -10.973 5.153 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.786 -12.481 7.044 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.625 -13.392 5.804 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.808 -12.954 7.106 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.822 -12.302 8.400 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.535 -14.482 8.477 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.595 -15.128 7.240 1.00 0.17 H new ATOM 0 HE ARG A 59 73.381 -14.208 9.232 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.625 -16.344 8.966 1.00 0.31 H new ATOM 0 HH12 ARG A 59 71.147 -17.388 10.292 1.00 0.31 H new ATOM 0 HH21 ARG A 59 74.045 -15.537 10.936 1.00 0.39 H new ATOM 0 HH22 ARG A 59 73.068 -16.935 11.399 1.00 0.39 H new ATOM 877 N ASN A 60 70.273 -9.899 7.628 1.00 0.12 N ATOM 878 CA ASN A 60 70.347 -8.886 8.724 1.00 0.13 C ATOM 879 C ASN A 60 71.077 -7.619 8.265 1.00 0.12 C ATOM 880 O ASN A 60 71.941 -7.114 8.955 1.00 0.13 O ATOM 881 CB ASN A 60 71.071 -9.500 9.926 1.00 0.13 C ATOM 882 CG ASN A 60 70.984 -8.562 11.131 1.00 0.18 C ATOM 883 OD1 ASN A 60 70.340 -7.533 11.072 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.617 -8.876 12.229 1.00 1.14 N ATOM 0 H ASN A 60 69.349 -10.306 7.486 1.00 0.12 H new ATOM 0 HA ASN A 60 69.333 -8.602 9.004 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.627 -10.464 10.174 1.00 0.13 H new ATOM 0 HB3 ASN A 60 72.115 -9.685 9.675 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.571 -8.257 13.039 1.00 1.14 H new ATOM 0 HD22 ASN A 60 72.157 -9.740 12.277 1.00 1.14 H new ATOM 891 N THR A 61 70.713 -7.074 7.133 1.00 0.12 N ATOM 892 CA THR A 61 71.370 -5.809 6.689 1.00 0.12 C ATOM 893 C THR A 61 70.745 -4.642 7.459 1.00 0.11 C ATOM 894 O THR A 61 69.539 -4.551 7.588 1.00 0.11 O ATOM 895 CB THR A 61 71.144 -5.577 5.194 1.00 0.14 C ATOM 896 OG1 THR A 61 69.755 -5.633 4.909 1.00 0.22 O ATOM 897 CG2 THR A 61 71.882 -6.624 4.358 1.00 0.24 C ATOM 0 H THR A 61 70.000 -7.444 6.505 1.00 0.12 H new ATOM 0 HA THR A 61 72.441 -5.880 6.879 1.00 0.12 H new ATOM 0 HB THR A 61 71.536 -4.593 4.936 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.581 -5.205 4.045 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.704 -6.436 3.299 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.951 -6.565 4.562 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.517 -7.618 4.616 1.00 0.24 H new ATOM 905 N GLN A 62 71.547 -3.746 7.976 1.00 9.83 N ATOM 906 CA GLN A 62 70.982 -2.588 8.741 1.00 11.89 C ATOM 907 C GLN A 62 71.887 -1.364 8.576 1.00 11.16 C ATOM 908 O GLN A 62 73.042 -1.481 8.216 1.00 9.58 O ATOM 909 CB GLN A 62 70.884 -2.971 10.223 1.00 13.81 C ATOM 910 CG GLN A 62 70.309 -1.804 11.032 1.00 19.41 C ATOM 911 CD GLN A 62 70.040 -2.262 12.467 1.00 22.33 C ATOM 912 OE1 GLN A 62 70.107 -3.437 12.767 1.00 28.20 O ATOM 913 NE2 GLN A 62 69.733 -1.375 13.376 1.00 24.17 N ATOM 0 H GLN A 62 72.564 -3.764 7.903 1.00 9.83 H new ATOM 0 HA GLN A 62 69.991 -2.343 8.360 1.00 11.89 H new ATOM 0 HB2 GLN A 62 70.250 -3.850 10.338 1.00 13.81 H new ATOM 0 HB3 GLN A 62 71.870 -3.237 10.604 1.00 13.81 H new ATOM 0 HG2 GLN A 62 71.008 -0.967 11.031 1.00 19.41 H new ATOM 0 HG3 GLN A 62 69.386 -1.449 10.573 1.00 19.41 H new ATOM 0 HE21 GLN A 62 69.676 -0.388 13.126 1.00 24.17 H new ATOM 0 HE22 GLN A 62 69.550 -1.670 14.335 1.00 24.17 H new ATOM 922 N LEU A 63 71.369 -0.192 8.832 1.00 0.12 N ATOM 923 CA LEU A 63 72.197 1.037 8.693 1.00 0.13 C ATOM 924 C LEU A 63 73.048 1.190 9.954 1.00 0.13 C ATOM 925 O LEU A 63 72.551 1.135 11.062 1.00 0.14 O ATOM 926 CB LEU A 63 71.267 2.252 8.527 1.00 0.15 C ATOM 927 CG LEU A 63 72.076 3.546 8.312 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.679 3.577 6.901 1.00 0.18 C ATOM 929 CD2 LEU A 63 71.144 4.748 8.483 1.00 0.21 C ATOM 0 H LEU A 63 70.407 -0.035 9.132 1.00 0.12 H new ATOM 0 HA LEU A 63 72.847 0.968 7.821 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.601 2.091 7.679 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.638 2.356 9.411 1.00 0.15 H new ATOM 0 HG LEU A 63 72.885 3.583 9.042 1.00 0.18 H new ATOM 0 HD11 LEU A 63 73.246 4.498 6.768 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.341 2.721 6.769 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.879 3.534 6.162 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.707 5.669 8.333 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.339 4.691 7.750 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.721 4.741 9.488 1.00 0.21 H new ATOM 941 N ALA A 64 74.334 1.376 9.786 1.00 0.12 N ATOM 942 CA ALA A 64 75.253 1.527 10.959 1.00 0.14 C ATOM 943 C ALA A 64 75.938 2.892 10.896 1.00 0.14 C ATOM 944 O ALA A 64 76.495 3.273 9.887 1.00 0.15 O ATOM 945 CB ALA A 64 76.328 0.439 10.898 1.00 0.14 C ATOM 0 H ALA A 64 74.792 1.430 8.876 1.00 0.12 H new ATOM 0 HA ALA A 64 74.680 1.440 11.882 1.00 0.14 H new ATOM 0 HB1 ALA A 64 77.000 0.544 11.750 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.855 -0.542 10.928 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.896 0.540 9.973 1.00 0.14 H new ATOM 951 N GLY A 65 75.910 3.630 11.971 1.00 0.16 N ATOM 952 CA GLY A 65 76.580 4.963 11.983 1.00 0.17 C ATOM 953 C GLY A 65 75.890 5.922 11.011 1.00 0.17 C ATOM 954 O GLY A 65 74.714 5.810 10.731 1.00 0.17 O ATOM 0 H GLY A 65 75.452 3.368 12.844 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.557 5.379 12.990 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.629 4.851 11.709 1.00 0.17 H new ATOM 958 N SER A 66 76.625 6.877 10.511 1.00 0.18 N ATOM 959 CA SER A 66 76.041 7.875 9.569 1.00 0.18 C ATOM 960 C SER A 66 76.108 7.377 8.121 1.00 0.17 C ATOM 961 O SER A 66 75.208 7.624 7.344 1.00 0.16 O ATOM 962 CB SER A 66 76.832 9.181 9.679 1.00 0.21 C ATOM 963 OG SER A 66 76.757 9.668 11.012 1.00 1.19 O ATOM 0 H SER A 66 77.615 7.010 10.717 1.00 0.18 H new ATOM 0 HA SER A 66 74.995 8.030 9.834 1.00 0.18 H new ATOM 0 HB2 SER A 66 77.872 9.014 9.399 1.00 0.21 H new ATOM 0 HB3 SER A 66 76.431 9.921 8.987 1.00 0.21 H new ATOM 0 HG SER A 66 77.264 10.503 11.084 1.00 1.19 H new ATOM 969 N SER A 67 77.183 6.723 7.735 1.00 0.17 N ATOM 970 CA SER A 67 77.311 6.270 6.307 1.00 0.17 C ATOM 971 C SER A 67 77.776 4.813 6.195 1.00 0.16 C ATOM 972 O SER A 67 78.135 4.371 5.123 1.00 0.17 O ATOM 973 CB SER A 67 78.357 7.150 5.625 1.00 0.19 C ATOM 974 OG SER A 67 79.649 6.799 6.103 1.00 0.20 O ATOM 0 H SER A 67 77.969 6.485 8.339 1.00 0.17 H new ATOM 0 HA SER A 67 76.330 6.349 5.839 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.309 7.021 4.544 1.00 0.19 H new ATOM 0 HB3 SER A 67 78.154 8.201 5.830 1.00 0.19 H new ATOM 0 HG SER A 67 80.332 7.205 5.529 1.00 0.20 H new ATOM 980 N GLU A 68 77.816 4.063 7.272 1.00 0.15 N ATOM 981 CA GLU A 68 78.309 2.648 7.175 1.00 0.15 C ATOM 982 C GLU A 68 77.153 1.641 7.136 1.00 0.13 C ATOM 983 O GLU A 68 76.178 1.750 7.854 1.00 0.13 O ATOM 984 CB GLU A 68 79.191 2.345 8.386 1.00 0.16 C ATOM 985 CG GLU A 68 80.502 3.126 8.274 1.00 0.22 C ATOM 986 CD GLU A 68 81.353 2.548 7.140 1.00 1.15 C ATOM 987 OE1 GLU A 68 81.031 1.466 6.675 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.313 3.197 6.758 1.00 1.37 O ATOM 0 H GLU A 68 77.532 4.364 8.205 1.00 0.15 H new ATOM 0 HA GLU A 68 78.873 2.550 6.247 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.671 2.617 9.305 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.396 1.276 8.441 1.00 0.16 H new ATOM 0 HG2 GLU A 68 80.294 4.179 8.085 1.00 0.22 H new ATOM 0 HG3 GLU A 68 81.049 3.073 9.215 1.00 0.22 H new ATOM 995 N LEU A 69 77.298 0.632 6.313 1.00 0.13 N ATOM 996 CA LEU A 69 76.268 -0.449 6.201 1.00 0.12 C ATOM 997 C LEU A 69 76.848 -1.717 6.838 1.00 0.13 C ATOM 998 O LEU A 69 77.877 -2.216 6.429 1.00 0.14 O ATOM 999 CB LEU A 69 75.938 -0.676 4.706 1.00 0.14 C ATOM 1000 CG LEU A 69 75.333 -2.070 4.455 1.00 0.14 C ATOM 1001 CD1 LEU A 69 74.137 -2.331 5.388 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.865 -2.141 2.996 1.00 0.18 C ATOM 0 H LEU A 69 78.104 0.509 5.701 1.00 0.13 H new ATOM 0 HA LEU A 69 75.346 -0.177 6.715 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.239 0.089 4.369 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.845 -0.562 4.113 1.00 0.14 H new ATOM 0 HG LEU A 69 76.091 -2.828 4.655 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.730 -3.322 5.189 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.466 -2.276 6.426 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.367 -1.580 5.211 1.00 0.15 H new ATOM 0 HD21 LEU A 69 74.433 -3.122 2.800 1.00 0.18 H new ATOM 0 HD22 LEU A 69 74.114 -1.372 2.817 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.715 -1.979 2.333 1.00 0.18 H new ATOM 1014 N ALA A 70 76.196 -2.225 7.857 1.00 0.12 N ATOM 1015 CA ALA A 70 76.693 -3.451 8.553 1.00 0.12 C ATOM 1016 C ALA A 70 75.805 -4.629 8.155 1.00 0.12 C ATOM 1017 O ALA A 70 74.602 -4.505 8.033 1.00 0.13 O ATOM 1018 CB ALA A 70 76.613 -3.221 10.064 1.00 0.15 C ATOM 0 H ALA A 70 75.333 -1.838 8.238 1.00 0.12 H new ATOM 0 HA ALA A 70 77.725 -3.664 8.274 1.00 0.12 H new ATOM 0 HB1 ALA A 70 76.972 -4.107 10.587 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.231 -2.365 10.335 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.579 -3.027 10.348 1.00 0.15 H new ATOM 1024 N ALA A 71 76.393 -5.770 7.943 1.00 0.12 N ATOM 1025 CA ALA A 71 75.596 -6.962 7.543 1.00 0.13 C ATOM 1026 C ALA A 71 76.365 -8.227 7.908 1.00 0.13 C ATOM 1027 O ALA A 71 77.524 -8.183 8.273 1.00 0.14 O ATOM 1028 CB ALA A 71 75.398 -6.987 6.027 1.00 0.15 C ATOM 0 H ALA A 71 77.397 -5.930 8.030 1.00 0.12 H new ATOM 0 HA ALA A 71 74.634 -6.914 8.054 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.813 -7.865 5.751 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.870 -6.086 5.714 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.369 -7.028 5.534 1.00 0.15 H new ATOM 1034 N GLU A 72 75.728 -9.364 7.767 1.00 0.13 N ATOM 1035 CA GLU A 72 76.399 -10.667 8.045 1.00 0.12 C ATOM 1036 C GLU A 72 76.410 -11.428 6.718 1.00 0.12 C ATOM 1037 O GLU A 72 75.411 -11.460 6.026 1.00 0.11 O ATOM 1038 CB GLU A 72 75.596 -11.445 9.093 1.00 0.14 C ATOM 1039 CG GLU A 72 75.719 -10.750 10.452 1.00 0.18 C ATOM 1040 CD GLU A 72 74.741 -11.387 11.441 1.00 0.20 C ATOM 1041 OE1 GLU A 72 74.154 -12.400 11.095 1.00 0.29 O ATOM 1042 OE2 GLU A 72 74.586 -10.846 12.525 1.00 0.36 O ATOM 0 H GLU A 72 74.757 -9.442 7.466 1.00 0.13 H new ATOM 0 HA GLU A 72 77.409 -10.529 8.431 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.549 -11.502 8.795 1.00 0.14 H new ATOM 0 HB3 GLU A 72 75.964 -12.469 9.162 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.739 -10.837 10.826 1.00 0.18 H new ATOM 0 HG3 GLU A 72 75.507 -9.686 10.349 1.00 0.18 H new ATOM 1049 N CYS A 73 77.524 -12.007 6.323 1.00 0.12 N ATOM 1050 CA CYS A 73 77.565 -12.716 4.997 1.00 0.12 C ATOM 1051 C CYS A 73 78.229 -14.088 5.105 1.00 0.12 C ATOM 1052 O CYS A 73 79.093 -14.323 5.927 1.00 0.13 O ATOM 1053 CB CYS A 73 78.349 -11.858 4.003 1.00 0.13 C ATOM 1054 SG CYS A 73 77.378 -10.386 3.581 1.00 0.14 S ATOM 0 H CYS A 73 78.396 -12.020 6.853 1.00 0.12 H new ATOM 0 HA CYS A 73 76.539 -12.866 4.660 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.306 -11.564 4.435 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.568 -12.433 3.103 1.00 0.13 H new ATOM 1059 N LYS A 74 77.801 -14.997 4.272 1.00 0.13 N ATOM 1060 CA LYS A 74 78.374 -16.371 4.303 1.00 0.13 C ATOM 1061 C LYS A 74 79.796 -16.396 3.759 1.00 0.13 C ATOM 1062 O LYS A 74 80.097 -15.871 2.707 1.00 0.13 O ATOM 1063 CB LYS A 74 77.524 -17.324 3.456 1.00 0.16 C ATOM 1064 CG LYS A 74 76.190 -17.562 4.150 1.00 0.20 C ATOM 1065 CD LYS A 74 75.358 -18.590 3.368 1.00 0.22 C ATOM 1066 CE LYS A 74 75.838 -20.015 3.685 1.00 0.30 C ATOM 1067 NZ LYS A 74 74.820 -20.994 3.213 1.00 0.38 N ATOM 0 H LYS A 74 77.077 -14.846 3.570 1.00 0.13 H new ATOM 0 HA LYS A 74 78.380 -16.690 5.345 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.361 -16.900 2.465 1.00 0.16 H new ATOM 0 HB3 LYS A 74 78.048 -18.270 3.316 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.359 -17.918 5.166 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.641 -16.624 4.229 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.304 -18.488 3.627 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.444 -18.399 2.298 1.00 0.22 H new ATOM 0 HE2 LYS A 74 76.795 -20.205 3.199 1.00 0.30 H new ATOM 0 HE3 LYS A 74 75.997 -20.127 4.757 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 75.298 -21.807 2.775 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 74.251 -21.320 4.020 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.199 -20.539 2.514 1.00 0.38 H new ATOM 1081 N THR A 75 80.651 -17.061 4.474 1.00 0.13 N ATOM 1082 CA THR A 75 82.063 -17.208 4.038 1.00 0.14 C ATOM 1083 C THR A 75 82.164 -18.481 3.214 1.00 0.15 C ATOM 1084 O THR A 75 81.224 -19.246 3.114 1.00 0.15 O ATOM 1085 CB THR A 75 82.985 -17.342 5.252 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.775 -18.609 5.859 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.695 -16.240 6.270 1.00 0.23 C ATOM 0 H THR A 75 80.428 -17.518 5.358 1.00 0.13 H new ATOM 0 HA THR A 75 82.362 -16.333 3.461 1.00 0.14 H new ATOM 0 HB THR A 75 84.020 -17.250 4.922 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.364 -18.701 6.636 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.360 -16.351 7.126 1.00 0.23 H new ATOM 0 HG22 THR A 75 82.858 -15.266 5.808 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.660 -16.315 6.603 1.00 0.23 H new ATOM 1095 N ARG A 76 83.292 -18.729 2.628 1.00 0.17 N ATOM 1096 CA ARG A 76 83.433 -19.969 1.826 1.00 0.19 C ATOM 1097 C ARG A 76 83.120 -21.166 2.721 1.00 0.18 C ATOM 1098 O ARG A 76 82.778 -22.228 2.239 1.00 0.19 O ATOM 1099 CB ARG A 76 84.864 -20.095 1.291 1.00 0.22 C ATOM 1100 CG ARG A 76 85.111 -19.035 0.217 1.00 0.25 C ATOM 1101 CD ARG A 76 86.542 -19.171 -0.313 1.00 0.35 C ATOM 1102 NE ARG A 76 86.863 -18.018 -1.221 1.00 1.36 N ATOM 1103 CZ ARG A 76 86.155 -17.770 -2.292 1.00 1.94 C ATOM 1104 NH1 ARG A 76 85.246 -18.611 -2.699 1.00 2.11 N ATOM 1105 NH2 ARG A 76 86.393 -16.692 -2.989 1.00 2.94 N ATOM 0 H ARG A 76 84.119 -18.133 2.667 1.00 0.17 H new ATOM 0 HA ARG A 76 82.745 -19.936 0.981 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.578 -19.974 2.105 1.00 0.22 H new ATOM 0 HB3 ARG A 76 85.020 -21.090 0.875 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.397 -19.154 -0.598 1.00 0.25 H new ATOM 0 HG3 ARG A 76 84.958 -18.039 0.632 1.00 0.25 H new ATOM 0 HD2 ARG A 76 87.246 -19.197 0.519 1.00 0.35 H new ATOM 0 HD3 ARG A 76 86.651 -20.112 -0.853 1.00 0.35 H new ATOM 0 HE ARG A 76 87.653 -17.413 -0.996 1.00 1.36 H new ATOM 0 HH11 ARG A 76 85.081 -19.474 -2.180 1.00 2.11 H new ATOM 0 HH12 ARG A 76 84.700 -18.406 -3.536 1.00 2.11 H new ATOM 0 HH21 ARG A 76 87.128 -16.048 -2.697 1.00 2.94 H new ATOM 0 HH22 ARG A 76 85.844 -16.494 -3.825 1.00 2.94 H new ATOM 1119 N ALA A 77 83.261 -21.027 4.021 1.00 0.17 N ATOM 1120 CA ALA A 77 83.000 -22.200 4.916 1.00 0.17 C ATOM 1121 C ALA A 77 81.516 -22.290 5.306 1.00 0.17 C ATOM 1122 O ALA A 77 81.165 -23.047 6.185 1.00 0.17 O ATOM 1123 CB ALA A 77 83.865 -22.098 6.173 1.00 0.17 C ATOM 0 H ALA A 77 83.541 -20.167 4.493 1.00 0.17 H new ATOM 0 HA ALA A 77 83.259 -23.106 4.368 1.00 0.17 H new ATOM 0 HB1 ALA A 77 83.670 -22.954 6.819 1.00 0.17 H new ATOM 0 HB2 ALA A 77 84.918 -22.089 5.890 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.624 -21.178 6.707 1.00 0.17 H new ATOM 1129 N GLN A 78 80.644 -21.524 4.682 1.00 0.17 N ATOM 1130 CA GLN A 78 79.175 -21.557 5.011 1.00 0.18 C ATOM 1131 C GLN A 78 78.890 -21.067 6.437 1.00 0.18 C ATOM 1132 O GLN A 78 77.980 -21.542 7.087 1.00 0.20 O ATOM 1133 CB GLN A 78 78.611 -22.972 4.829 1.00 0.20 C ATOM 1134 CG GLN A 78 78.805 -23.409 3.375 1.00 0.31 C ATOM 1135 CD GLN A 78 77.936 -22.552 2.448 1.00 0.59 C ATOM 1136 OE1 GLN A 78 76.737 -22.455 2.632 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.496 -21.913 1.454 1.00 0.41 N ATOM 0 H GLN A 78 80.894 -20.865 3.945 1.00 0.17 H new ATOM 0 HA GLN A 78 78.681 -20.877 4.318 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.116 -23.667 5.500 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.553 -22.990 5.089 1.00 0.20 H new ATOM 0 HG2 GLN A 78 79.854 -23.313 3.095 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.541 -24.461 3.265 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.501 -21.993 1.298 1.00 0.41 H new ATOM 0 HE22 GLN A 78 77.928 -21.335 0.835 1.00 0.41 H new ATOM 1146 N GLN A 79 79.636 -20.098 6.913 1.00 0.17 N ATOM 1147 CA GLN A 79 79.399 -19.536 8.288 1.00 0.19 C ATOM 1148 C GLN A 79 79.128 -18.029 8.170 1.00 0.17 C ATOM 1149 O GLN A 79 79.738 -17.350 7.370 1.00 0.21 O ATOM 1150 CB GLN A 79 80.641 -19.773 9.150 1.00 0.22 C ATOM 1151 CG GLN A 79 80.713 -21.251 9.545 1.00 1.18 C ATOM 1152 CD GLN A 79 81.984 -21.503 10.358 1.00 1.51 C ATOM 1153 OE1 GLN A 79 82.592 -20.498 10.924 1.00 1.87 O flip ATOM 1154 NE2 GLN A 79 82.431 -22.626 10.477 1.00 2.23 N flip ATOM 0 H GLN A 79 80.408 -19.666 6.405 1.00 0.17 H new ATOM 0 HA GLN A 79 78.542 -20.026 8.750 1.00 0.19 H new ATOM 0 HB2 GLN A 79 81.538 -19.488 8.600 1.00 0.22 H new ATOM 0 HB3 GLN A 79 80.602 -19.148 10.042 1.00 0.22 H new ATOM 0 HG2 GLN A 79 79.835 -21.525 10.130 1.00 1.18 H new ATOM 0 HG3 GLN A 79 80.710 -21.877 8.653 1.00 1.18 H new ATOM 0 HE21 GLN A 79 81.957 -23.413 10.035 1.00 2.23 H new ATOM 0 HE22 GLN A 79 83.281 -22.782 11.019 1.00 2.23 H new ATOM 1163 N PHE A 80 78.215 -17.492 8.951 1.00 0.15 N ATOM 1164 CA PHE A 80 77.914 -16.021 8.851 1.00 0.14 C ATOM 1165 C PHE A 80 78.865 -15.221 9.760 1.00 0.13 C ATOM 1166 O PHE A 80 78.963 -15.489 10.941 1.00 0.14 O ATOM 1167 CB PHE A 80 76.470 -15.749 9.324 1.00 0.16 C ATOM 1168 CG PHE A 80 75.461 -16.088 8.248 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.273 -15.218 7.168 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.690 -17.252 8.349 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.319 -15.516 6.187 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.732 -17.547 7.370 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.548 -16.679 6.289 1.00 0.31 C ATOM 0 H PHE A 80 77.670 -18.001 9.647 1.00 0.15 H new ATOM 0 HA PHE A 80 78.041 -15.717 7.812 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.262 -16.337 10.218 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.369 -14.700 9.602 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.864 -14.317 7.091 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.834 -17.923 9.183 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.178 -14.847 5.351 1.00 0.28 H new ATOM 0 HE2 PHE A 80 73.136 -18.444 7.450 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.811 -16.906 5.533 1.00 0.31 H new ATOM 1183 N VAL A 81 79.549 -14.227 9.223 1.00 0.12 N ATOM 1184 CA VAL A 81 80.480 -13.393 10.065 1.00 0.12 C ATOM 1185 C VAL A 81 80.134 -11.912 9.882 1.00 0.12 C ATOM 1186 O VAL A 81 79.440 -11.539 8.956 1.00 0.12 O ATOM 1187 CB VAL A 81 81.937 -13.663 9.664 1.00 0.14 C ATOM 1188 CG1 VAL A 81 82.113 -15.162 9.442 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.303 -12.992 8.335 1.00 0.16 C ATOM 0 H VAL A 81 79.502 -13.959 8.240 1.00 0.12 H new ATOM 0 HA VAL A 81 80.362 -13.659 11.116 1.00 0.12 H new ATOM 0 HB VAL A 81 82.569 -13.271 10.461 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.144 -15.369 9.156 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.877 -15.696 10.362 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.443 -15.493 8.648 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.343 -13.210 8.091 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.657 -13.374 7.544 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.170 -11.914 8.423 1.00 0.16 H new ATOM 1199 N SER A 82 80.587 -11.067 10.767 1.00 0.15 N ATOM 1200 CA SER A 82 80.256 -9.617 10.653 1.00 0.15 C ATOM 1201 C SER A 82 81.020 -8.956 9.495 1.00 0.16 C ATOM 1202 O SER A 82 82.224 -9.078 9.380 1.00 0.25 O ATOM 1203 CB SER A 82 80.617 -8.912 11.962 1.00 0.23 C ATOM 1204 OG SER A 82 80.155 -7.569 11.913 1.00 0.26 O ATOM 0 H SER A 82 81.172 -11.317 11.564 1.00 0.15 H new ATOM 0 HA SER A 82 79.188 -9.526 10.453 1.00 0.15 H new ATOM 0 HB2 SER A 82 80.166 -9.434 12.806 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.696 -8.933 12.114 1.00 0.23 H new ATOM 0 HG SER A 82 80.383 -7.114 12.751 1.00 0.26 H new ATOM 1210 N THR A 83 80.323 -8.236 8.651 1.00 0.12 N ATOM 1211 CA THR A 83 80.985 -7.537 7.499 1.00 0.17 C ATOM 1212 C THR A 83 80.462 -6.098 7.417 1.00 0.12 C ATOM 1213 O THR A 83 79.371 -5.797 7.858 1.00 0.11 O ATOM 1214 CB THR A 83 80.675 -8.285 6.195 1.00 0.27 C ATOM 1215 OG1 THR A 83 81.196 -7.550 5.097 1.00 0.31 O ATOM 1216 CG2 THR A 83 79.162 -8.465 6.026 1.00 0.29 C ATOM 0 H THR A 83 79.314 -8.100 8.709 1.00 0.12 H new ATOM 0 HA THR A 83 82.065 -7.521 7.648 1.00 0.17 H new ATOM 0 HB THR A 83 81.139 -9.270 6.232 1.00 0.27 H new ATOM 0 HG1 THR A 83 80.516 -6.924 4.770 1.00 0.31 H new ATOM 0 HG21 THR A 83 78.960 -8.997 5.096 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.768 -9.038 6.865 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.680 -7.488 5.996 1.00 0.29 H new ATOM 1224 N LYS A 84 81.231 -5.209 6.838 1.00 0.12 N ATOM 1225 CA LYS A 84 80.777 -3.792 6.713 1.00 0.14 C ATOM 1226 C LYS A 84 81.454 -3.143 5.501 1.00 0.13 C ATOM 1227 O LYS A 84 82.496 -3.568 5.042 1.00 0.15 O ATOM 1228 CB LYS A 84 81.116 -3.016 7.991 1.00 0.25 C ATOM 1229 CG LYS A 84 82.619 -3.074 8.267 1.00 0.34 C ATOM 1230 CD LYS A 84 82.914 -2.314 9.562 1.00 0.48 C ATOM 1231 CE LYS A 84 84.402 -2.417 9.890 1.00 1.17 C ATOM 1232 NZ LYS A 84 84.754 -1.420 10.941 1.00 1.98 N ATOM 0 H LYS A 84 82.153 -5.405 6.447 1.00 0.12 H new ATOM 0 HA LYS A 84 79.696 -3.770 6.572 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.798 -1.978 7.889 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.568 -3.436 8.835 1.00 0.25 H new ATOM 0 HG2 LYS A 84 82.947 -4.110 8.355 1.00 0.34 H new ATOM 0 HG3 LYS A 84 83.172 -2.634 7.437 1.00 0.34 H new ATOM 0 HD2 LYS A 84 82.627 -1.268 9.455 1.00 0.48 H new ATOM 0 HD3 LYS A 84 82.322 -2.725 10.380 1.00 0.48 H new ATOM 0 HE2 LYS A 84 84.640 -3.423 10.235 1.00 1.17 H new ATOM 0 HE3 LYS A 84 84.995 -2.239 8.993 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 85.768 -1.492 11.162 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 84.542 -0.462 10.596 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 84.198 -1.609 11.799 1.00 1.98 H new ATOM 1246 N ILE A 85 80.836 -2.121 4.975 1.00 0.13 N ATOM 1247 CA ILE A 85 81.371 -1.414 3.775 1.00 0.13 C ATOM 1248 C ILE A 85 81.034 0.080 3.875 1.00 0.13 C ATOM 1249 O ILE A 85 80.046 0.467 4.466 1.00 0.13 O ATOM 1250 CB ILE A 85 80.724 -2.016 2.524 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.359 -1.423 1.263 1.00 0.17 C ATOM 1252 CG2 ILE A 85 79.226 -1.717 2.528 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.941 -2.262 0.052 1.00 0.20 C ATOM 0 H ILE A 85 79.962 -1.737 5.335 1.00 0.13 H new ATOM 0 HA ILE A 85 82.453 -1.529 3.718 1.00 0.13 H new ATOM 0 HB ILE A 85 80.883 -3.094 2.529 1.00 0.14 H new ATOM 0 HG12 ILE A 85 81.041 -0.389 1.132 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.445 -1.413 1.357 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.767 -2.146 1.637 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.770 -2.153 3.417 1.00 0.16 H new ATOM 0 HG23 ILE A 85 79.070 -0.638 2.533 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.389 -1.846 -0.851 1.00 0.20 H new ATOM 0 HD12 ILE A 85 81.281 -3.289 0.186 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.855 -2.249 -0.043 1.00 0.20 H new ATOM 1265 N ASN A 86 81.862 0.917 3.306 1.00 0.13 N ATOM 1266 CA ASN A 86 81.611 2.392 3.369 1.00 0.14 C ATOM 1267 C ASN A 86 80.728 2.831 2.194 1.00 0.13 C ATOM 1268 O ASN A 86 81.150 2.817 1.058 1.00 0.13 O ATOM 1269 CB ASN A 86 82.951 3.131 3.298 1.00 0.15 C ATOM 1270 CG ASN A 86 82.760 4.595 3.712 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.648 5.080 3.782 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.808 5.322 3.992 1.00 0.23 N ATOM 0 H ASN A 86 82.704 0.644 2.799 1.00 0.13 H new ATOM 0 HA ASN A 86 81.101 2.628 4.303 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.677 2.650 3.953 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.352 3.079 2.286 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.693 6.297 4.269 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.741 4.915 3.933 1.00 0.23 H new ATOM 1279 N LEU A 87 79.516 3.243 2.464 1.00 0.13 N ATOM 1280 CA LEU A 87 78.606 3.717 1.370 1.00 0.13 C ATOM 1281 C LEU A 87 79.141 5.028 0.790 1.00 0.13 C ATOM 1282 O LEU A 87 78.793 5.413 -0.307 1.00 0.13 O ATOM 1283 CB LEU A 87 77.206 3.982 1.930 1.00 0.14 C ATOM 1284 CG LEU A 87 76.724 2.782 2.744 1.00 0.15 C ATOM 1285 CD1 LEU A 87 75.295 3.045 3.235 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.748 1.524 1.869 1.00 0.21 C ATOM 0 H LEU A 87 79.112 3.273 3.400 1.00 0.13 H new ATOM 0 HA LEU A 87 78.561 2.948 0.599 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.221 4.873 2.557 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.511 4.179 1.113 1.00 0.14 H new ATOM 0 HG LEU A 87 77.381 2.633 3.601 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.947 2.191 3.816 1.00 0.18 H new ATOM 0 HD12 LEU A 87 75.284 3.938 3.860 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.637 3.193 2.378 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.404 0.669 2.451 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.092 1.666 1.010 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.765 1.341 1.522 1.00 0.21 H new ATOM 1298 N ASP A 88 79.951 5.731 1.519 1.00 0.14 N ATOM 1299 CA ASP A 88 80.464 7.032 1.006 1.00 0.15 C ATOM 1300 C ASP A 88 81.433 6.828 -0.169 1.00 0.15 C ATOM 1301 O ASP A 88 81.795 7.776 -0.837 1.00 0.15 O ATOM 1302 CB ASP A 88 81.199 7.762 2.132 1.00 0.17 C ATOM 1303 CG ASP A 88 80.190 8.233 3.180 1.00 0.18 C ATOM 1304 OD1 ASP A 88 79.036 8.410 2.825 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.588 8.407 4.320 1.00 0.22 O ATOM 0 H ASP A 88 80.282 5.466 2.447 1.00 0.14 H new ATOM 0 HA ASP A 88 79.614 7.618 0.656 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.933 7.099 2.591 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.746 8.615 1.730 1.00 0.17 H new ATOM 1310 N ASP A 89 81.909 5.630 -0.408 1.00 0.16 N ATOM 1311 CA ASP A 89 82.896 5.416 -1.514 1.00 0.17 C ATOM 1312 C ASP A 89 82.331 5.766 -2.895 1.00 0.16 C ATOM 1313 O ASP A 89 83.050 6.261 -3.741 1.00 0.16 O ATOM 1314 CB ASP A 89 83.294 3.940 -1.554 1.00 0.20 C ATOM 1315 CG ASP A 89 84.100 3.585 -0.302 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.628 4.493 0.319 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.177 2.409 0.012 1.00 0.26 O ATOM 0 H ASP A 89 81.657 4.791 0.115 1.00 0.16 H new ATOM 0 HA ASP A 89 83.742 6.071 -1.306 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.403 3.315 -1.613 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.885 3.737 -2.447 1.00 0.20 H new ATOM 1322 N HIS A 90 81.090 5.433 -3.176 1.00 0.16 N ATOM 1323 CA HIS A 90 80.549 5.691 -4.557 1.00 0.17 C ATOM 1324 C HIS A 90 79.105 6.203 -4.524 1.00 0.16 C ATOM 1325 O HIS A 90 78.580 6.636 -5.533 1.00 0.17 O ATOM 1326 CB HIS A 90 80.606 4.374 -5.340 1.00 0.21 C ATOM 1327 CG HIS A 90 82.037 3.906 -5.405 1.00 0.22 C ATOM 1328 ND1 HIS A 90 82.962 4.486 -6.259 1.00 0.26 N ATOM 1329 CD2 HIS A 90 82.724 2.929 -4.716 1.00 0.25 C ATOM 1330 CE1 HIS A 90 84.141 3.867 -6.065 1.00 0.29 C ATOM 1331 NE2 HIS A 90 84.048 2.911 -5.139 1.00 0.28 N ATOM 0 H HIS A 90 80.437 5.001 -2.523 1.00 0.16 H new ATOM 0 HA HIS A 90 81.154 6.463 -5.032 1.00 0.17 H new ATOM 0 HB2 HIS A 90 79.985 3.621 -4.856 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.210 4.516 -6.345 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.782 5.245 -6.916 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.300 2.279 -3.965 1.00 0.25 H new ATOM 0 HE1 HIS A 90 85.050 4.114 -6.593 1.00 0.29 H new ATOM 1339 N ILE A 91 78.447 6.171 -3.397 1.00 0.15 N ATOM 1340 CA ILE A 91 77.038 6.672 -3.356 1.00 0.14 C ATOM 1341 C ILE A 91 77.049 8.187 -3.153 1.00 0.14 C ATOM 1342 O ILE A 91 77.397 8.674 -2.095 1.00 0.15 O ATOM 1343 CB ILE A 91 76.280 6.009 -2.199 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.192 4.477 -2.413 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.876 6.619 -2.107 1.00 0.17 C ATOM 1346 CD1 ILE A 91 75.055 4.125 -3.391 1.00 0.17 C ATOM 0 H ILE A 91 78.816 5.825 -2.511 1.00 0.15 H new ATOM 0 HA ILE A 91 76.541 6.427 -4.295 1.00 0.14 H new ATOM 0 HB ILE A 91 76.816 6.187 -1.266 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.140 4.105 -2.801 1.00 0.16 H new ATOM 0 HG13 ILE A 91 76.022 3.981 -1.457 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.330 6.153 -1.287 1.00 0.17 H new ATOM 0 HG22 ILE A 91 74.956 7.691 -1.927 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.343 6.447 -3.042 1.00 0.17 H new ATOM 0 HD11 ILE A 91 75.013 3.044 -3.526 1.00 0.17 H new ATOM 0 HD12 ILE A 91 74.106 4.478 -2.988 1.00 0.17 H new ATOM 0 HD13 ILE A 91 75.241 4.603 -4.353 1.00 0.17 H new ATOM 1358 N ALA A 92 76.673 8.934 -4.171 1.00 0.15 N ATOM 1359 CA ALA A 92 76.671 10.437 -4.047 1.00 0.16 C ATOM 1360 C ALA A 92 75.259 11.003 -4.235 1.00 0.16 C ATOM 1361 O ALA A 92 74.354 10.330 -4.684 1.00 0.15 O ATOM 1362 CB ALA A 92 77.579 11.075 -5.118 1.00 0.17 C ATOM 0 H ALA A 92 76.370 8.573 -5.076 1.00 0.15 H new ATOM 0 HA ALA A 92 77.039 10.674 -3.049 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.562 12.160 -5.010 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.600 10.713 -4.992 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.218 10.804 -6.110 1.00 0.17 H new ATOM 1368 N ASN A 93 75.093 12.265 -3.916 1.00 0.17 N ATOM 1369 CA ASN A 93 73.775 12.952 -4.087 1.00 0.18 C ATOM 1370 C ASN A 93 73.926 13.969 -5.217 1.00 0.18 C ATOM 1371 O ASN A 93 74.635 14.947 -5.082 1.00 0.19 O ATOM 1372 CB ASN A 93 73.398 13.682 -2.794 1.00 0.20 C ATOM 1373 CG ASN A 93 72.049 14.383 -2.978 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.176 13.882 -3.659 1.00 0.34 O ATOM 1375 ND2 ASN A 93 71.838 15.527 -2.385 1.00 0.34 N ATOM 0 H ASN A 93 75.831 12.858 -3.537 1.00 0.17 H new ATOM 0 HA ASN A 93 72.996 12.226 -4.319 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.342 12.974 -1.967 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.167 14.411 -2.538 1.00 0.20 H new ATOM 0 HD21 ASN A 93 70.941 16.000 -2.493 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.570 15.948 -1.813 1.00 0.34 H new ATOM 1382 N ILE A 94 73.264 13.754 -6.325 1.00 0.18 N ATOM 1383 CA ILE A 94 73.357 14.715 -7.473 1.00 0.18 C ATOM 1384 C ILE A 94 71.980 15.344 -7.663 1.00 0.18 C ATOM 1385 O ILE A 94 71.055 14.732 -8.156 1.00 0.17 O ATOM 1386 CB ILE A 94 73.774 13.923 -8.721 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.224 13.442 -8.543 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.691 14.787 -9.985 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.597 12.376 -9.586 1.00 0.23 C ATOM 0 H ILE A 94 72.658 12.950 -6.488 1.00 0.18 H new ATOM 0 HA ILE A 94 74.089 15.501 -7.291 1.00 0.18 H new ATOM 0 HB ILE A 94 73.094 13.079 -8.836 1.00 0.19 H new ATOM 0 HG12 ILE A 94 75.903 14.290 -8.630 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.352 13.032 -7.541 1.00 0.26 H new ATOM 0 HG21 ILE A 94 73.993 14.196 -10.850 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.667 15.134 -10.122 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.354 15.646 -9.883 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.628 12.059 -9.430 1.00 0.23 H new ATOM 0 HD12 ILE A 94 74.934 11.517 -9.482 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.494 12.795 -10.587 1.00 0.23 H new ATOM 1401 N ASP A 95 71.859 16.581 -7.276 1.00 0.18 N ATOM 1402 CA ASP A 95 70.572 17.313 -7.429 1.00 0.18 C ATOM 1403 C ASP A 95 69.460 16.690 -6.572 1.00 0.18 C ATOM 1404 O ASP A 95 68.305 16.715 -6.946 1.00 0.18 O ATOM 1405 CB ASP A 95 70.156 17.296 -8.906 1.00 0.18 C ATOM 1406 CG ASP A 95 69.156 18.427 -9.165 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.682 19.005 -8.199 1.00 0.22 O ATOM 1408 OD2 ASP A 95 68.883 18.696 -10.323 1.00 0.22 O ATOM 0 H ASP A 95 72.610 17.126 -6.853 1.00 0.18 H new ATOM 0 HA ASP A 95 70.719 18.338 -7.089 1.00 0.18 H new ATOM 0 HB2 ASP A 95 71.032 17.417 -9.543 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.708 16.335 -9.158 1.00 0.18 H new ATOM 1413 N GLY A 96 69.782 16.141 -5.426 1.00 0.18 N ATOM 1414 CA GLY A 96 68.715 15.541 -4.562 1.00 0.18 C ATOM 1415 C GLY A 96 68.423 14.098 -4.991 1.00 0.18 C ATOM 1416 O GLY A 96 67.537 13.458 -4.457 1.00 0.19 O ATOM 0 H GLY A 96 70.729 16.082 -5.053 1.00 0.18 H new ATOM 0 HA2 GLY A 96 69.031 15.559 -3.519 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.805 16.138 -4.630 1.00 0.18 H new ATOM 1420 N THR A 97 69.158 13.579 -5.945 1.00 0.17 N ATOM 1421 CA THR A 97 68.930 12.168 -6.414 1.00 0.18 C ATOM 1422 C THR A 97 70.212 11.353 -6.217 1.00 0.17 C ATOM 1423 O THR A 97 71.307 11.838 -6.430 1.00 0.18 O ATOM 1424 CB THR A 97 68.539 12.184 -7.895 1.00 0.21 C ATOM 1425 OG1 THR A 97 67.255 12.776 -8.029 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.500 10.753 -8.438 1.00 0.23 C ATOM 0 H THR A 97 69.911 14.072 -6.424 1.00 0.17 H new ATOM 0 HA THR A 97 68.126 11.711 -5.837 1.00 0.18 H new ATOM 0 HB THR A 97 69.273 12.759 -8.459 1.00 0.21 H new ATOM 0 HG1 THR A 97 66.999 12.791 -8.975 1.00 0.24 H new ATOM 0 HG21 THR A 97 68.221 10.771 -9.492 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.484 10.296 -8.331 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.767 10.172 -7.879 1.00 0.23 H new ATOM 1434 N LEU A 98 70.087 10.117 -5.795 1.00 0.17 N ATOM 1435 CA LEU A 98 71.302 9.277 -5.567 1.00 0.17 C ATOM 1436 C LEU A 98 71.720 8.585 -6.866 1.00 0.16 C ATOM 1437 O LEU A 98 70.898 8.086 -7.608 1.00 0.17 O ATOM 1438 CB LEU A 98 71.001 8.186 -4.538 1.00 0.18 C ATOM 1439 CG LEU A 98 70.489 8.785 -3.223 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.343 7.644 -2.216 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.486 9.824 -2.690 1.00 0.26 C ATOM 0 H LEU A 98 69.198 9.656 -5.600 1.00 0.17 H new ATOM 0 HA LEU A 98 72.099 9.930 -5.211 1.00 0.17 H new ATOM 0 HB2 LEU A 98 70.257 7.499 -4.941 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.903 7.604 -4.348 1.00 0.18 H new ATOM 0 HG LEU A 98 69.532 9.281 -3.383 1.00 0.18 H new ATOM 0 HD11 LEU A 98 69.979 8.040 -1.268 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.634 6.910 -2.598 1.00 0.22 H new ATOM 0 HD13 LEU A 98 71.311 7.168 -2.063 1.00 0.22 H new ATOM 0 HD21 LEU A 98 71.111 10.242 -1.756 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.450 9.346 -2.513 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.606 10.622 -3.422 1.00 0.26 H new ATOM 1453 N LYS A 99 73.003 8.529 -7.120 1.00 0.16 N ATOM 1454 CA LYS A 99 73.519 7.843 -8.345 1.00 0.16 C ATOM 1455 C LYS A 99 74.904 7.263 -8.043 1.00 0.16 C ATOM 1456 O LYS A 99 75.755 7.934 -7.486 1.00 0.18 O ATOM 1457 CB LYS A 99 73.629 8.839 -9.509 1.00 0.17 C ATOM 1458 CG LYS A 99 72.227 9.146 -10.056 1.00 0.19 C ATOM 1459 CD LYS A 99 72.321 10.138 -11.219 1.00 0.23 C ATOM 1460 CE LYS A 99 70.917 10.439 -11.756 1.00 0.66 C ATOM 1461 NZ LYS A 99 70.127 9.177 -11.839 1.00 1.38 N ATOM 0 H LYS A 99 73.724 8.934 -6.523 1.00 0.16 H new ATOM 0 HA LYS A 99 72.830 7.047 -8.627 1.00 0.16 H new ATOM 0 HB2 LYS A 99 74.108 9.758 -9.171 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.256 8.424 -10.298 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.749 8.225 -10.391 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.602 9.560 -9.265 1.00 0.19 H new ATOM 0 HD2 LYS A 99 72.799 11.059 -10.886 1.00 0.23 H new ATOM 0 HD3 LYS A 99 72.944 9.725 -12.013 1.00 0.23 H new ATOM 0 HE2 LYS A 99 70.413 11.152 -11.103 1.00 0.66 H new ATOM 0 HE3 LYS A 99 70.986 10.901 -12.741 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 69.312 9.318 -12.470 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 70.728 8.415 -12.214 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 69.789 8.916 -10.891 1.00 1.38 H new ATOM 1475 N TYR A 100 75.150 6.033 -8.405 1.00 0.16 N ATOM 1476 CA TYR A 100 76.487 5.423 -8.144 1.00 0.17 C ATOM 1477 C TYR A 100 77.521 6.085 -9.061 1.00 0.21 C ATOM 1478 O TYR A 100 77.262 6.334 -10.221 1.00 0.22 O ATOM 1479 CB TYR A 100 76.426 3.927 -8.472 1.00 0.17 C ATOM 1480 CG TYR A 100 77.802 3.319 -8.337 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.699 3.383 -9.411 1.00 0.25 C ATOM 1482 CD2 TYR A 100 78.182 2.693 -7.141 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.976 2.821 -9.293 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.461 2.131 -7.025 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.358 2.194 -8.101 1.00 0.28 C ATOM 1486 OH TYR A 100 81.616 1.641 -7.984 1.00 0.33 O ATOM 0 H TYR A 100 74.480 5.421 -8.872 1.00 0.16 H new ATOM 0 HA TYR A 100 76.763 5.566 -7.099 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.729 3.426 -7.800 1.00 0.17 H new ATOM 0 HB3 TYR A 100 76.052 3.782 -9.485 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.405 3.866 -10.331 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.492 2.644 -6.312 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.667 2.871 -10.122 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.756 1.648 -6.105 1.00 0.24 H new ATOM 0 HH TYR A 100 81.719 1.247 -7.093 1.00 0.33 H new ATOM 1496 N GLU A 101 78.695 6.361 -8.554 1.00 0.26 N ATOM 1497 CA GLU A 101 79.750 7.002 -9.399 1.00 0.33 C ATOM 1498 C GLU A 101 81.130 6.528 -8.939 1.00 0.40 C ATOM 1499 O GLU A 101 82.099 7.198 -9.257 1.00 1.14 O ATOM 1500 CB GLU A 101 79.660 8.523 -9.256 1.00 0.41 C ATOM 1501 CG GLU A 101 79.841 8.914 -7.787 1.00 0.45 C ATOM 1502 CD GLU A 101 79.645 10.423 -7.633 1.00 1.09 C ATOM 1503 OE1 GLU A 101 78.753 10.954 -8.276 1.00 1.69 O ATOM 1504 OE2 GLU A 101 80.387 11.022 -6.872 1.00 1.44 O ATOM 1505 OXT GLU A 101 81.195 5.504 -8.280 1.00 1.12 O ATOM 0 H GLU A 101 78.970 6.170 -7.590 1.00 0.26 H new ATOM 0 HA GLU A 101 79.600 6.724 -10.442 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.426 9.001 -9.867 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.695 8.876 -9.620 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.123 8.378 -7.166 1.00 0.45 H new ATOM 0 HG3 GLU A 101 80.835 8.629 -7.444 1.00 0.45 H new TER 1512 GLU A 101