USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 6 ASN : amide:sc= -1.57! C(o=-1.5!,f=-3.4!) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.12 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00721 X(o=-0.0072,f=0) USER MOD Single : A 7 SER OG : rot 76:sc= 0.952 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.191) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -39:sc= -0.0581! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.111 USER MOD Single : A 29 GLN : amide:sc= -4.87 K(o=-4.9,f=-10!) USER MOD Single : A 33 SER OG : rot 93:sc= 0.894 USER MOD Single : A 34 GLN : amide:sc= -2.31 K(o=-2.3,f=-0.088) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -31:sc= 0.845 USER MOD Single : A 51 ASN : amide:sc= -0.405 K(o=-0.4,f=-2.9!) USER MOD Single : A 52 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.14) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 54 ASN : amide:sc= -0.751 K(o=-0.75,f=-5.1!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-4.7e-05) USER MOD Single : A 61 GLN : amide:sc= -3.61! C(o=-3.6!,f=-10!) USER MOD Single : A 62 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.26) USER MOD Single : A 64 THR OG1 : rot -130:sc= -0.444! USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.32! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00306 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -4.09! C(o=-4.1!,f=-3.1!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 121:sc= 1.13 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0198 K(o=-0.02,f=-1.7!) USER MOD Single : A 105 GLN : amide:sc= -0.0812 K(o=-0.081,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.812 45.740 5.055 1.00 1.24 N ATOM 2 CA ALA A 1 16.840 44.693 4.819 1.00 0.72 C ATOM 3 C ALA A 1 16.289 43.677 3.816 1.00 0.79 C ATOM 4 O ALA A 1 15.788 42.634 4.182 1.00 1.72 O ATOM 5 CB ALA A 1 17.179 44.002 6.150 1.00 0.33 C ATOM 0 H1 ALA A 1 16.176 46.437 5.736 1.00 1.24 H new ATOM 0 H2 ALA A 1 15.589 46.216 4.158 1.00 1.24 H new ATOM 0 H3 ALA A 1 14.950 45.301 5.437 1.00 1.24 H new ATOM 0 HA ALA A 1 17.749 45.140 4.416 1.00 0.72 H new ATOM 0 HB1 ALA A 1 17.933 43.234 5.979 1.00 0.33 H new ATOM 0 HB2 ALA A 1 17.565 44.739 6.855 1.00 0.33 H new ATOM 0 HB3 ALA A 1 16.280 43.543 6.561 1.00 0.33 H new ATOM 13 N GLN A 2 16.376 43.983 2.547 1.00 0.58 N ATOM 14 CA GLN A 2 15.857 43.046 1.510 1.00 0.48 C ATOM 15 C GLN A 2 17.031 42.391 0.786 1.00 0.33 C ATOM 16 O GLN A 2 17.344 41.238 1.006 1.00 0.35 O ATOM 17 CB GLN A 2 15.002 43.815 0.497 1.00 0.76 C ATOM 18 CG GLN A 2 14.047 44.758 1.231 1.00 1.48 C ATOM 19 CD GLN A 2 13.343 45.660 0.218 1.00 1.80 C ATOM 20 OE1 GLN A 2 12.146 45.581 0.053 1.00 2.12 O ATOM 21 NE2 GLN A 2 14.043 46.513 -0.473 1.00 2.48 N ATOM 0 H GLN A 2 16.786 44.844 2.185 1.00 0.58 H new ATOM 0 HA GLN A 2 15.247 42.281 1.990 1.00 0.48 H new ATOM 0 HB2 GLN A 2 15.644 44.384 -0.176 1.00 0.76 H new ATOM 0 HB3 GLN A 2 14.435 43.116 -0.118 1.00 0.76 H new ATOM 0 HG2 GLN A 2 13.312 44.183 1.794 1.00 1.48 H new ATOM 0 HG3 GLN A 2 14.598 45.363 1.951 1.00 1.48 H new ATOM 0 HE21 GLN A 2 15.051 46.578 -0.332 1.00 2.48 H new ATOM 0 HE22 GLN A 2 13.583 47.116 -1.155 1.00 2.48 H new ATOM 30 N GLU A 3 17.689 43.114 -0.077 1.00 0.28 N ATOM 31 CA GLU A 3 18.841 42.516 -0.807 1.00 0.27 C ATOM 32 C GLU A 3 19.851 41.983 0.215 1.00 0.23 C ATOM 33 O GLU A 3 20.785 41.282 -0.128 1.00 0.25 O ATOM 34 CB GLU A 3 19.508 43.568 -1.711 1.00 0.37 C ATOM 35 CG GLU A 3 19.229 44.974 -1.177 1.00 1.32 C ATOM 36 CD GLU A 3 19.941 46.005 -2.054 1.00 1.65 C ATOM 37 OE1 GLU A 3 20.213 45.691 -3.201 1.00 2.18 O ATOM 38 OE2 GLU A 3 20.194 47.092 -1.565 1.00 2.01 O ATOM 0 H GLU A 3 17.481 44.086 -0.307 1.00 0.28 H new ATOM 0 HA GLU A 3 18.488 41.700 -1.438 1.00 0.27 H new ATOM 0 HB2 GLU A 3 20.583 43.393 -1.753 1.00 0.37 H new ATOM 0 HB3 GLU A 3 19.130 43.476 -2.729 1.00 0.37 H new ATOM 0 HG2 GLU A 3 18.156 45.166 -1.171 1.00 1.32 H new ATOM 0 HG3 GLU A 3 19.574 45.058 -0.146 1.00 1.32 H new ATOM 45 N PHE A 4 19.661 42.301 1.467 1.00 0.22 N ATOM 46 CA PHE A 4 20.594 41.808 2.518 1.00 0.25 C ATOM 47 C PHE A 4 20.560 40.280 2.565 1.00 0.21 C ATOM 48 O PHE A 4 21.497 39.619 2.171 1.00 0.21 O ATOM 49 CB PHE A 4 20.161 42.374 3.881 1.00 0.30 C ATOM 50 CG PHE A 4 21.064 43.518 4.281 1.00 0.35 C ATOM 51 CD1 PHE A 4 21.159 44.650 3.467 1.00 0.44 C ATOM 52 CD2 PHE A 4 21.804 43.444 5.469 1.00 0.37 C ATOM 53 CE1 PHE A 4 21.995 45.710 3.837 1.00 0.50 C ATOM 54 CE2 PHE A 4 22.640 44.504 5.839 1.00 0.43 C ATOM 55 CZ PHE A 4 22.736 45.637 5.023 1.00 0.48 C ATOM 0 H PHE A 4 18.896 42.884 1.807 1.00 0.22 H new ATOM 0 HA PHE A 4 21.608 42.135 2.288 1.00 0.25 H new ATOM 0 HB2 PHE A 4 19.128 42.718 3.829 1.00 0.30 H new ATOM 0 HB3 PHE A 4 20.198 41.590 4.637 1.00 0.30 H new ATOM 0 HD1 PHE A 4 20.587 44.707 2.552 1.00 0.44 H new ATOM 0 HD2 PHE A 4 21.729 42.570 6.099 1.00 0.37 H new ATOM 0 HE1 PHE A 4 22.069 46.585 3.208 1.00 0.50 H new ATOM 0 HE2 PHE A 4 23.211 44.448 6.754 1.00 0.43 H new ATOM 0 HZ PHE A 4 23.381 46.455 5.308 1.00 0.48 H new ATOM 65 N VAL A 5 19.494 39.716 3.060 1.00 0.21 N ATOM 66 CA VAL A 5 19.410 38.232 3.153 1.00 0.18 C ATOM 67 C VAL A 5 19.167 37.624 1.765 1.00 0.17 C ATOM 68 O VAL A 5 19.677 36.568 1.449 1.00 0.16 O ATOM 69 CB VAL A 5 18.270 37.848 4.109 1.00 0.21 C ATOM 70 CG1 VAL A 5 18.346 38.711 5.383 1.00 0.23 C ATOM 71 CG2 VAL A 5 16.917 38.066 3.415 1.00 0.27 C ATOM 0 H VAL A 5 18.676 40.219 3.405 1.00 0.21 H new ATOM 0 HA VAL A 5 20.352 37.841 3.538 1.00 0.18 H new ATOM 0 HB VAL A 5 18.369 36.797 4.382 1.00 0.21 H new ATOM 0 HG11 VAL A 5 17.536 38.435 6.058 1.00 0.23 H new ATOM 0 HG12 VAL A 5 19.303 38.546 5.878 1.00 0.23 H new ATOM 0 HG13 VAL A 5 18.253 39.764 5.116 1.00 0.23 H new ATOM 0 HG21 VAL A 5 16.111 37.793 4.096 1.00 0.27 H new ATOM 0 HG22 VAL A 5 16.816 39.115 3.136 1.00 0.27 H new ATOM 0 HG23 VAL A 5 16.863 37.445 2.521 1.00 0.27 H new ATOM 81 N ASN A 6 18.397 38.272 0.930 1.00 0.19 N ATOM 82 CA ASN A 6 18.143 37.710 -0.425 1.00 0.22 C ATOM 83 C ASN A 6 19.473 37.525 -1.164 1.00 0.22 C ATOM 84 O ASN A 6 19.655 36.576 -1.901 1.00 0.25 O ATOM 85 CB ASN A 6 17.241 38.656 -1.215 1.00 0.26 C ATOM 86 CG ASN A 6 15.923 38.858 -0.465 1.00 0.38 C ATOM 87 OD1 ASN A 6 15.908 39.385 0.629 1.00 1.15 O ATOM 88 ND2 ASN A 6 14.807 38.458 -1.011 1.00 1.22 N ATOM 0 H ASN A 6 17.937 39.160 1.128 1.00 0.19 H new ATOM 0 HA ASN A 6 17.649 36.743 -0.327 1.00 0.22 H new ATOM 0 HB2 ASN A 6 17.740 39.615 -1.358 1.00 0.26 H new ATOM 0 HB3 ASN A 6 17.047 38.246 -2.206 1.00 0.26 H new ATOM 0 HD21 ASN A 6 13.923 38.588 -0.519 1.00 1.22 H new ATOM 0 HD22 ASN A 6 14.819 38.015 -1.930 1.00 1.22 H new ATOM 95 N SER A 7 20.405 38.422 -0.975 1.00 0.23 N ATOM 96 CA SER A 7 21.718 38.283 -1.668 1.00 0.26 C ATOM 97 C SER A 7 22.523 37.164 -1.006 1.00 0.25 C ATOM 98 O SER A 7 23.522 36.709 -1.528 1.00 0.29 O ATOM 99 CB SER A 7 22.495 39.597 -1.557 1.00 0.30 C ATOM 100 OG SER A 7 21.762 40.634 -2.196 1.00 0.37 O ATOM 0 H SER A 7 20.314 39.241 -0.374 1.00 0.23 H new ATOM 0 HA SER A 7 21.552 38.045 -2.719 1.00 0.26 H new ATOM 0 HB2 SER A 7 22.661 39.847 -0.509 1.00 0.30 H new ATOM 0 HB3 SER A 7 23.477 39.492 -2.019 1.00 0.30 H new ATOM 0 HG SER A 7 21.014 40.907 -1.624 1.00 0.37 H new ATOM 106 N LYS A 8 22.100 36.726 0.150 1.00 0.22 N ATOM 107 CA LYS A 8 22.843 35.647 0.863 1.00 0.24 C ATOM 108 C LYS A 8 22.196 34.284 0.589 1.00 0.21 C ATOM 109 O LYS A 8 22.868 33.334 0.241 1.00 0.23 O ATOM 110 CB LYS A 8 22.832 35.948 2.362 1.00 0.29 C ATOM 111 CG LYS A 8 23.565 37.271 2.603 1.00 0.40 C ATOM 112 CD LYS A 8 23.564 37.596 4.096 1.00 0.52 C ATOM 113 CE LYS A 8 23.932 39.066 4.309 1.00 0.72 C ATOM 114 NZ LYS A 8 25.292 39.319 3.759 1.00 1.30 N ATOM 0 H LYS A 8 21.270 37.070 0.632 1.00 0.22 H new ATOM 0 HA LYS A 8 23.872 35.612 0.504 1.00 0.24 H new ATOM 0 HB2 LYS A 8 21.807 36.012 2.727 1.00 0.29 H new ATOM 0 HB3 LYS A 8 23.317 35.142 2.913 1.00 0.29 H new ATOM 0 HG2 LYS A 8 24.589 37.202 2.237 1.00 0.40 H new ATOM 0 HG3 LYS A 8 23.080 38.073 2.046 1.00 0.40 H new ATOM 0 HD2 LYS A 8 22.581 37.393 4.521 1.00 0.52 H new ATOM 0 HD3 LYS A 8 24.275 36.955 4.617 1.00 0.52 H new ATOM 0 HE2 LYS A 8 23.203 39.710 3.817 1.00 0.72 H new ATOM 0 HE3 LYS A 8 23.906 39.309 5.371 1.00 0.72 H new ATOM 0 HZ1 LYS A 8 25.628 40.250 4.078 1.00 1.30 H new ATOM 0 HZ2 LYS A 8 25.945 38.582 4.095 1.00 1.30 H new ATOM 0 HZ3 LYS A 8 25.255 39.301 2.720 1.00 1.30 H new ATOM 128 N ILE A 9 20.902 34.172 0.729 1.00 0.18 N ATOM 129 CA ILE A 9 20.246 32.861 0.459 1.00 0.17 C ATOM 130 C ILE A 9 20.093 32.682 -1.053 1.00 0.22 C ATOM 131 O ILE A 9 19.530 33.515 -1.737 1.00 0.32 O ATOM 132 CB ILE A 9 18.867 32.825 1.115 1.00 0.16 C ATOM 133 CG1 ILE A 9 18.018 33.938 0.508 1.00 0.19 C ATOM 134 CG2 ILE A 9 19.008 33.024 2.629 1.00 0.16 C ATOM 135 CD1 ILE A 9 16.891 34.340 1.465 1.00 0.21 C ATOM 0 H ILE A 9 20.276 34.925 1.016 1.00 0.18 H new ATOM 0 HA ILE A 9 20.858 32.058 0.869 1.00 0.17 H new ATOM 0 HB ILE A 9 18.389 31.861 0.940 1.00 0.16 H new ATOM 0 HG12 ILE A 9 18.644 34.803 0.291 1.00 0.19 H new ATOM 0 HG13 ILE A 9 17.596 33.605 -0.440 1.00 0.19 H new ATOM 0 HG21 ILE A 9 18.022 32.998 3.093 1.00 0.16 H new ATOM 0 HG22 ILE A 9 19.626 32.228 3.045 1.00 0.16 H new ATOM 0 HG23 ILE A 9 19.477 33.988 2.827 1.00 0.16 H new ATOM 0 HD11 ILE A 9 16.297 35.135 1.014 1.00 0.21 H new ATOM 0 HD12 ILE A 9 16.254 33.477 1.660 1.00 0.21 H new ATOM 0 HD13 ILE A 9 17.319 34.694 2.403 1.00 0.21 H new ATOM 147 N GLN A 10 20.591 31.598 -1.575 1.00 0.20 N ATOM 148 CA GLN A 10 20.487 31.343 -3.036 1.00 0.27 C ATOM 149 C GLN A 10 20.363 29.822 -3.255 1.00 0.20 C ATOM 150 O GLN A 10 20.887 29.051 -2.477 1.00 0.22 O ATOM 151 CB GLN A 10 21.734 31.925 -3.731 1.00 0.43 C ATOM 152 CG GLN A 10 22.427 30.881 -4.610 1.00 1.06 C ATOM 153 CD GLN A 10 23.661 31.514 -5.246 1.00 1.44 C ATOM 154 OE1 GLN A 10 24.477 32.101 -4.563 1.00 1.96 O ATOM 155 NE2 GLN A 10 23.828 31.425 -6.535 1.00 2.09 N ATOM 0 H GLN A 10 21.071 30.870 -1.045 1.00 0.20 H new ATOM 0 HA GLN A 10 19.608 31.825 -3.465 1.00 0.27 H new ATOM 0 HB2 GLN A 10 21.445 32.781 -4.341 1.00 0.43 H new ATOM 0 HB3 GLN A 10 22.433 32.291 -2.979 1.00 0.43 H new ATOM 0 HG2 GLN A 10 22.712 30.015 -4.013 1.00 1.06 H new ATOM 0 HG3 GLN A 10 21.745 30.525 -5.382 1.00 1.06 H new ATOM 0 HE21 GLN A 10 23.141 30.932 -7.105 1.00 2.09 H new ATOM 0 HE22 GLN A 10 24.646 31.849 -6.974 1.00 2.09 H new ATOM 164 N PRO A 11 19.654 29.432 -4.291 1.00 0.18 N ATOM 165 CA PRO A 11 19.425 28.004 -4.596 1.00 0.19 C ATOM 166 C PRO A 11 20.731 27.202 -4.573 1.00 0.20 C ATOM 167 O PRO A 11 21.739 27.613 -5.110 1.00 0.23 O ATOM 168 CB PRO A 11 18.800 28.002 -6.000 1.00 0.24 C ATOM 169 CG PRO A 11 18.517 29.478 -6.388 1.00 0.27 C ATOM 170 CD PRO A 11 19.033 30.368 -5.248 1.00 0.22 C ATOM 0 HA PRO A 11 18.782 27.531 -3.854 1.00 0.19 H new ATOM 0 HB2 PRO A 11 19.476 27.539 -6.720 1.00 0.24 H new ATOM 0 HB3 PRO A 11 17.878 27.420 -6.008 1.00 0.24 H new ATOM 0 HG2 PRO A 11 19.015 29.729 -7.325 1.00 0.27 H new ATOM 0 HG3 PRO A 11 17.449 29.635 -6.542 1.00 0.27 H new ATOM 0 HD2 PRO A 11 19.755 31.098 -5.612 1.00 0.22 H new ATOM 0 HD3 PRO A 11 18.221 30.927 -4.784 1.00 0.22 H new ATOM 178 N GLY A 12 20.702 26.046 -3.966 1.00 0.22 N ATOM 179 CA GLY A 12 21.920 25.194 -3.913 1.00 0.24 C ATOM 180 C GLY A 12 22.934 25.774 -2.923 1.00 0.21 C ATOM 181 O GLY A 12 24.120 25.538 -3.036 1.00 0.23 O ATOM 0 H GLY A 12 19.882 25.655 -3.503 1.00 0.22 H new ATOM 0 HA2 GLY A 12 21.650 24.181 -3.615 1.00 0.24 H new ATOM 0 HA3 GLY A 12 22.368 25.126 -4.904 1.00 0.24 H new ATOM 185 N LYS A 13 22.486 26.528 -1.952 1.00 0.18 N ATOM 186 CA LYS A 13 23.444 27.109 -0.964 1.00 0.17 C ATOM 187 C LYS A 13 22.809 27.148 0.430 1.00 0.14 C ATOM 188 O LYS A 13 21.644 27.460 0.583 1.00 0.16 O ATOM 189 CB LYS A 13 23.810 28.527 -1.389 1.00 0.21 C ATOM 190 CG LYS A 13 24.958 29.035 -0.521 1.00 0.27 C ATOM 191 CD LYS A 13 25.257 30.494 -0.874 1.00 0.35 C ATOM 192 CE LYS A 13 25.939 31.190 0.317 1.00 0.48 C ATOM 193 NZ LYS A 13 27.080 32.020 -0.182 1.00 1.59 N ATOM 0 H LYS A 13 21.506 26.765 -1.801 1.00 0.18 H new ATOM 0 HA LYS A 13 24.339 26.488 -0.931 1.00 0.17 H new ATOM 0 HB2 LYS A 13 24.100 28.540 -2.440 1.00 0.21 H new ATOM 0 HB3 LYS A 13 22.945 29.183 -1.289 1.00 0.21 H new ATOM 0 HG2 LYS A 13 24.695 28.951 0.534 1.00 0.27 H new ATOM 0 HG3 LYS A 13 25.846 28.422 -0.678 1.00 0.27 H new ATOM 0 HD2 LYS A 13 25.902 30.540 -1.752 1.00 0.35 H new ATOM 0 HD3 LYS A 13 24.333 31.013 -1.129 1.00 0.35 H new ATOM 0 HE2 LYS A 13 25.222 31.818 0.846 1.00 0.48 H new ATOM 0 HE3 LYS A 13 26.299 30.448 1.029 1.00 0.48 H new ATOM 0 HZ1 LYS A 13 27.543 32.492 0.621 1.00 1.59 H new ATOM 0 HZ2 LYS A 13 27.767 31.409 -0.668 1.00 1.59 H new ATOM 0 HZ3 LYS A 13 26.724 32.737 -0.846 1.00 1.59 H new ATOM 207 N VAL A 14 23.573 26.842 1.450 1.00 0.12 N ATOM 208 CA VAL A 14 23.028 26.868 2.837 1.00 0.11 C ATOM 209 C VAL A 14 23.566 28.097 3.575 1.00 0.10 C ATOM 210 O VAL A 14 24.734 28.420 3.489 1.00 0.12 O ATOM 211 CB VAL A 14 23.461 25.605 3.590 1.00 0.10 C ATOM 212 CG1 VAL A 14 22.897 25.638 5.012 1.00 0.11 C ATOM 213 CG2 VAL A 14 22.932 24.363 2.869 1.00 0.11 C ATOM 0 H VAL A 14 24.555 26.575 1.378 1.00 0.12 H new ATOM 0 HA VAL A 14 21.940 26.910 2.791 1.00 0.11 H new ATOM 0 HB VAL A 14 24.550 25.568 3.626 1.00 0.10 H new ATOM 0 HG11 VAL A 14 23.205 24.740 5.547 1.00 0.11 H new ATOM 0 HG12 VAL A 14 23.275 26.518 5.533 1.00 0.11 H new ATOM 0 HG13 VAL A 14 21.809 25.680 4.971 1.00 0.11 H new ATOM 0 HG21 VAL A 14 23.243 23.469 3.409 1.00 0.11 H new ATOM 0 HG22 VAL A 14 21.843 24.402 2.828 1.00 0.11 H new ATOM 0 HG23 VAL A 14 23.332 24.332 1.856 1.00 0.11 H new ATOM 223 N VAL A 15 22.728 28.778 4.310 1.00 0.10 N ATOM 224 CA VAL A 15 23.193 29.979 5.065 1.00 0.11 C ATOM 225 C VAL A 15 22.456 30.025 6.407 1.00 0.10 C ATOM 226 O VAL A 15 21.302 29.656 6.504 1.00 0.13 O ATOM 227 CB VAL A 15 22.918 31.250 4.232 1.00 0.12 C ATOM 228 CG1 VAL A 15 21.867 32.137 4.910 1.00 0.13 C ATOM 229 CG2 VAL A 15 24.215 32.049 4.071 1.00 0.15 C ATOM 0 H VAL A 15 21.739 28.554 4.421 1.00 0.10 H new ATOM 0 HA VAL A 15 24.266 29.925 5.252 1.00 0.11 H new ATOM 0 HB VAL A 15 22.541 30.942 3.257 1.00 0.12 H new ATOM 0 HG11 VAL A 15 21.693 33.025 4.302 1.00 0.13 H new ATOM 0 HG12 VAL A 15 20.935 31.581 5.016 1.00 0.13 H new ATOM 0 HG13 VAL A 15 22.225 32.437 5.895 1.00 0.13 H new ATOM 0 HG21 VAL A 15 24.019 32.946 3.483 1.00 0.15 H new ATOM 0 HG22 VAL A 15 24.591 32.334 5.054 1.00 0.15 H new ATOM 0 HG23 VAL A 15 24.959 31.436 3.562 1.00 0.15 H new ATOM 239 N VAL A 16 23.125 30.449 7.448 1.00 0.09 N ATOM 240 CA VAL A 16 22.486 30.491 8.793 1.00 0.09 C ATOM 241 C VAL A 16 22.583 31.896 9.391 1.00 0.09 C ATOM 242 O VAL A 16 23.658 32.436 9.566 1.00 0.12 O ATOM 243 CB VAL A 16 23.215 29.505 9.717 1.00 0.11 C ATOM 244 CG1 VAL A 16 22.551 29.487 11.105 1.00 0.12 C ATOM 245 CG2 VAL A 16 23.179 28.093 9.103 1.00 0.12 C ATOM 0 H VAL A 16 24.093 30.770 7.422 1.00 0.09 H new ATOM 0 HA VAL A 16 21.434 30.221 8.695 1.00 0.09 H new ATOM 0 HB VAL A 16 24.251 29.824 9.827 1.00 0.11 H new ATOM 0 HG11 VAL A 16 23.077 28.784 11.751 1.00 0.12 H new ATOM 0 HG12 VAL A 16 22.595 30.484 11.542 1.00 0.12 H new ATOM 0 HG13 VAL A 16 21.510 29.180 11.006 1.00 0.12 H new ATOM 0 HG21 VAL A 16 23.697 27.396 9.762 1.00 0.12 H new ATOM 0 HG22 VAL A 16 22.143 27.775 8.982 1.00 0.12 H new ATOM 0 HG23 VAL A 16 23.671 28.107 8.130 1.00 0.12 H new ATOM 255 N PHE A 17 21.467 32.474 9.745 1.00 0.09 N ATOM 256 CA PHE A 17 21.488 33.819 10.377 1.00 0.11 C ATOM 257 C PHE A 17 21.553 33.605 11.888 1.00 0.13 C ATOM 258 O PHE A 17 20.703 32.957 12.464 1.00 0.14 O ATOM 259 CB PHE A 17 20.217 34.578 10.000 1.00 0.13 C ATOM 260 CG PHE A 17 20.265 34.934 8.534 1.00 0.12 C ATOM 261 CD1 PHE A 17 19.940 33.973 7.570 1.00 0.12 C ATOM 262 CD2 PHE A 17 20.639 36.223 8.139 1.00 0.15 C ATOM 263 CE1 PHE A 17 19.988 34.301 6.210 1.00 0.13 C ATOM 264 CE2 PHE A 17 20.688 36.552 6.779 1.00 0.16 C ATOM 265 CZ PHE A 17 20.363 35.591 5.815 1.00 0.15 C ATOM 0 H PHE A 17 20.539 32.069 9.622 1.00 0.09 H new ATOM 0 HA PHE A 17 22.344 34.403 10.039 1.00 0.11 H new ATOM 0 HB2 PHE A 17 19.339 33.967 10.209 1.00 0.13 H new ATOM 0 HB3 PHE A 17 20.127 35.482 10.603 1.00 0.13 H new ATOM 0 HD1 PHE A 17 19.652 32.978 7.875 1.00 0.12 H new ATOM 0 HD2 PHE A 17 20.890 36.964 8.883 1.00 0.15 H new ATOM 0 HE1 PHE A 17 19.736 33.560 5.466 1.00 0.13 H new ATOM 0 HE2 PHE A 17 20.977 37.547 6.474 1.00 0.16 H new ATOM 0 HZ PHE A 17 20.401 35.844 4.766 1.00 0.15 H new ATOM 275 N ILE A 18 22.580 34.096 12.529 1.00 0.14 N ATOM 276 CA ILE A 18 22.720 33.860 13.997 1.00 0.16 C ATOM 277 C ILE A 18 23.021 35.152 14.749 1.00 0.17 C ATOM 278 O ILE A 18 23.019 36.236 14.203 1.00 0.18 O ATOM 279 CB ILE A 18 23.878 32.884 14.219 1.00 0.17 C ATOM 280 CG1 ILE A 18 25.161 33.440 13.594 1.00 0.19 C ATOM 281 CG2 ILE A 18 23.545 31.552 13.557 1.00 0.18 C ATOM 282 CD1 ILE A 18 26.359 32.624 14.086 1.00 0.17 C ATOM 0 H ILE A 18 23.325 34.648 12.103 1.00 0.14 H new ATOM 0 HA ILE A 18 21.780 33.458 14.374 1.00 0.16 H new ATOM 0 HB ILE A 18 24.027 32.746 15.290 1.00 0.17 H new ATOM 0 HG12 ILE A 18 25.098 33.396 12.507 1.00 0.19 H new ATOM 0 HG13 ILE A 18 25.285 34.489 13.864 1.00 0.19 H new ATOM 0 HG21 ILE A 18 24.367 30.853 13.712 1.00 0.18 H new ATOM 0 HG22 ILE A 18 22.634 31.145 13.997 1.00 0.18 H new ATOM 0 HG23 ILE A 18 23.395 31.704 12.488 1.00 0.18 H new ATOM 0 HD11 ILE A 18 27.274 33.017 13.643 1.00 0.17 H new ATOM 0 HD12 ILE A 18 26.424 32.691 15.172 1.00 0.17 H new ATOM 0 HD13 ILE A 18 26.234 31.581 13.794 1.00 0.17 H new ATOM 294 N LYS A 19 23.294 35.011 16.012 1.00 0.17 N ATOM 295 CA LYS A 19 23.622 36.174 16.872 1.00 0.18 C ATOM 296 C LYS A 19 24.629 35.684 17.921 1.00 0.19 C ATOM 297 O LYS A 19 24.223 35.198 18.956 1.00 0.17 O ATOM 298 CB LYS A 19 22.349 36.666 17.585 1.00 0.19 C ATOM 299 CG LYS A 19 21.544 37.607 16.667 1.00 0.23 C ATOM 300 CD LYS A 19 20.852 38.694 17.500 1.00 0.31 C ATOM 301 CE LYS A 19 19.710 38.072 18.305 1.00 0.52 C ATOM 302 NZ LYS A 19 19.018 39.133 19.092 1.00 1.24 N ATOM 0 H LYS A 19 23.303 34.113 16.496 1.00 0.17 H new ATOM 0 HA LYS A 19 24.031 36.993 16.280 1.00 0.18 H new ATOM 0 HB2 LYS A 19 21.733 35.813 17.871 1.00 0.19 H new ATOM 0 HB3 LYS A 19 22.618 37.187 18.504 1.00 0.19 H new ATOM 0 HG2 LYS A 19 22.207 38.067 15.934 1.00 0.23 H new ATOM 0 HG3 LYS A 19 20.801 37.036 16.111 1.00 0.23 H new ATOM 0 HD2 LYS A 19 21.570 39.164 18.172 1.00 0.31 H new ATOM 0 HD3 LYS A 19 20.466 39.477 16.847 1.00 0.31 H new ATOM 0 HE2 LYS A 19 19.003 37.583 17.635 1.00 0.52 H new ATOM 0 HE3 LYS A 19 20.099 37.304 18.974 1.00 0.52 H new ATOM 0 HZ1 LYS A 19 18.242 38.709 19.639 1.00 1.24 H new ATOM 0 HZ2 LYS A 19 19.695 39.581 19.742 1.00 1.24 H new ATOM 0 HZ3 LYS A 19 18.634 39.850 18.445 1.00 1.24 H new ATOM 316 N PRO A 20 25.911 35.789 17.626 1.00 0.25 N ATOM 317 CA PRO A 20 26.955 35.318 18.552 1.00 0.27 C ATOM 318 C PRO A 20 26.655 35.788 19.977 1.00 0.26 C ATOM 319 O PRO A 20 27.264 36.705 20.493 1.00 0.30 O ATOM 320 CB PRO A 20 28.262 35.906 18.002 1.00 0.33 C ATOM 321 CG PRO A 20 27.954 36.469 16.590 1.00 0.37 C ATOM 322 CD PRO A 20 26.428 36.388 16.379 1.00 0.32 C ATOM 0 HA PRO A 20 27.013 34.231 18.612 1.00 0.27 H new ATOM 0 HB2 PRO A 20 28.635 36.693 18.657 1.00 0.33 H new ATOM 0 HB3 PRO A 20 29.036 35.141 17.950 1.00 0.33 H new ATOM 0 HG2 PRO A 20 28.298 37.500 16.505 1.00 0.37 H new ATOM 0 HG3 PRO A 20 28.477 35.894 15.826 1.00 0.37 H new ATOM 0 HD2 PRO A 20 25.999 37.375 16.206 1.00 0.32 H new ATOM 0 HD3 PRO A 20 26.180 35.776 15.512 1.00 0.32 H new ATOM 330 N THR A 21 25.711 35.148 20.607 1.00 0.23 N ATOM 331 CA THR A 21 25.337 35.518 21.995 1.00 0.24 C ATOM 332 C THR A 21 24.410 34.443 22.562 1.00 0.22 C ATOM 333 O THR A 21 24.475 34.107 23.726 1.00 0.23 O ATOM 334 CB THR A 21 24.605 36.865 21.993 1.00 0.26 C ATOM 335 OG1 THR A 21 25.306 37.784 21.171 1.00 1.15 O ATOM 336 CG2 THR A 21 24.528 37.414 23.419 1.00 1.18 C ATOM 0 H THR A 21 25.177 34.374 20.212 1.00 0.23 H new ATOM 0 HA THR A 21 26.236 35.598 22.606 1.00 0.24 H new ATOM 0 HB THR A 21 23.596 36.725 21.606 1.00 0.26 H new ATOM 0 HG1 THR A 21 26.271 37.666 21.297 1.00 1.15 H new ATOM 0 HG21 THR A 21 24.007 38.371 23.413 1.00 1.18 H new ATOM 0 HG22 THR A 21 23.986 36.710 24.051 1.00 1.18 H new ATOM 0 HG23 THR A 21 25.536 37.552 23.811 1.00 1.18 H new ATOM 344 N CYS A 22 23.535 33.906 21.747 1.00 0.20 N ATOM 345 CA CYS A 22 22.594 32.861 22.247 1.00 0.20 C ATOM 346 C CYS A 22 23.116 31.453 21.884 1.00 0.19 C ATOM 347 O CYS A 22 23.479 31.215 20.749 1.00 0.19 O ATOM 348 CB CYS A 22 21.220 33.091 21.612 1.00 0.20 C ATOM 349 SG CYS A 22 19.934 32.713 22.826 1.00 0.23 S ATOM 0 H CYS A 22 23.433 34.146 20.761 1.00 0.20 H new ATOM 0 HA CYS A 22 22.516 32.928 23.332 1.00 0.20 H new ATOM 0 HB2 CYS A 22 21.129 34.124 21.278 1.00 0.20 H new ATOM 0 HB3 CYS A 22 21.103 32.460 20.731 1.00 0.20 H new ATOM 354 N PRO A 23 23.138 30.554 22.854 1.00 0.22 N ATOM 355 CA PRO A 23 23.613 29.166 22.636 1.00 0.24 C ATOM 356 C PRO A 23 22.780 28.431 21.573 1.00 0.20 C ATOM 357 O PRO A 23 23.215 27.444 21.016 1.00 0.23 O ATOM 358 CB PRO A 23 23.459 28.476 23.997 1.00 0.29 C ATOM 359 CG PRO A 23 22.982 29.535 25.010 1.00 0.32 C ATOM 360 CD PRO A 23 22.713 30.838 24.239 1.00 0.27 C ATOM 0 HA PRO A 23 24.640 29.158 22.270 1.00 0.24 H new ATOM 0 HB2 PRO A 23 22.741 27.659 23.932 1.00 0.29 H new ATOM 0 HB3 PRO A 23 24.407 28.043 24.315 1.00 0.29 H new ATOM 0 HG2 PRO A 23 22.078 29.198 25.517 1.00 0.32 H new ATOM 0 HG3 PRO A 23 23.738 29.696 25.779 1.00 0.32 H new ATOM 0 HD2 PRO A 23 21.659 31.111 24.281 1.00 0.27 H new ATOM 0 HD3 PRO A 23 23.275 31.671 24.662 1.00 0.27 H new ATOM 368 N TYR A 24 21.592 28.890 21.287 1.00 0.19 N ATOM 369 CA TYR A 24 20.764 28.189 20.262 1.00 0.18 C ATOM 370 C TYR A 24 21.380 28.413 18.889 1.00 0.18 C ATOM 371 O TYR A 24 21.463 27.511 18.079 1.00 0.25 O ATOM 372 CB TYR A 24 19.337 28.736 20.284 1.00 0.18 C ATOM 373 CG TYR A 24 18.544 28.013 21.340 1.00 0.19 C ATOM 374 CD1 TYR A 24 18.618 28.421 22.673 1.00 0.21 C ATOM 375 CD2 TYR A 24 17.735 26.930 20.978 1.00 0.20 C ATOM 376 CE1 TYR A 24 17.881 27.745 23.652 1.00 0.24 C ATOM 377 CE2 TYR A 24 16.998 26.254 21.954 1.00 0.23 C ATOM 378 CZ TYR A 24 17.071 26.662 23.293 1.00 0.25 C ATOM 379 OH TYR A 24 16.341 25.996 24.256 1.00 0.30 O ATOM 0 H TYR A 24 21.162 29.711 21.713 1.00 0.19 H new ATOM 0 HA TYR A 24 20.736 27.122 20.482 1.00 0.18 H new ATOM 0 HB2 TYR A 24 19.349 29.806 20.490 1.00 0.18 H new ATOM 0 HB3 TYR A 24 18.870 28.605 19.308 1.00 0.18 H new ATOM 0 HD1 TYR A 24 19.243 29.257 22.948 1.00 0.21 H new ATOM 0 HD2 TYR A 24 17.680 26.617 19.946 1.00 0.20 H new ATOM 0 HE1 TYR A 24 17.937 28.059 24.684 1.00 0.24 H new ATOM 0 HE2 TYR A 24 16.373 25.418 21.677 1.00 0.23 H new ATOM 0 HH TYR A 24 15.832 25.271 23.837 1.00 0.30 H new ATOM 389 N SER A 25 21.825 29.600 18.625 1.00 0.18 N ATOM 390 CA SER A 25 22.449 29.866 17.306 1.00 0.24 C ATOM 391 C SER A 25 23.731 29.043 17.199 1.00 0.23 C ATOM 392 O SER A 25 24.097 28.580 16.138 1.00 0.25 O ATOM 393 CB SER A 25 22.781 31.355 17.189 1.00 0.31 C ATOM 394 OG SER A 25 22.147 32.065 18.244 1.00 1.10 O ATOM 0 H SER A 25 21.785 30.397 19.261 1.00 0.18 H new ATOM 0 HA SER A 25 21.763 29.591 16.505 1.00 0.24 H new ATOM 0 HB2 SER A 25 23.860 31.503 17.234 1.00 0.31 H new ATOM 0 HB3 SER A 25 22.446 31.739 16.225 1.00 0.31 H new ATOM 0 HG SER A 25 22.360 33.019 18.171 1.00 1.10 H new ATOM 400 N ARG A 26 24.415 28.848 18.297 1.00 0.21 N ATOM 401 CA ARG A 26 25.669 28.042 18.254 1.00 0.22 C ATOM 402 C ARG A 26 25.323 26.612 17.810 1.00 0.22 C ATOM 403 O ARG A 26 25.987 26.030 16.976 1.00 0.27 O ATOM 404 CB ARG A 26 26.320 27.996 19.654 1.00 0.24 C ATOM 405 CG ARG A 26 27.500 28.991 19.754 1.00 0.80 C ATOM 406 CD ARG A 26 28.535 28.714 18.640 1.00 0.82 C ATOM 407 NE ARG A 26 29.918 28.613 19.194 1.00 1.34 N ATOM 408 CZ ARG A 26 30.351 29.459 20.085 1.00 1.97 C ATOM 409 NH1 ARG A 26 29.602 30.455 20.482 1.00 2.50 N ATOM 410 NH2 ARG A 26 31.561 29.326 20.557 1.00 2.71 N ATOM 0 H ARG A 26 24.160 29.210 19.216 1.00 0.21 H new ATOM 0 HA ARG A 26 26.368 28.497 17.553 1.00 0.22 H new ATOM 0 HB2 ARG A 26 25.575 28.234 20.413 1.00 0.24 H new ATOM 0 HB3 ARG A 26 26.674 26.986 19.861 1.00 0.24 H new ATOM 0 HG2 ARG A 26 27.130 30.013 19.670 1.00 0.80 H new ATOM 0 HG3 ARG A 26 27.976 28.904 20.731 1.00 0.80 H new ATOM 0 HD2 ARG A 26 28.279 27.788 18.126 1.00 0.82 H new ATOM 0 HD3 ARG A 26 28.496 29.512 17.898 1.00 0.82 H new ATOM 0 HE ARG A 26 30.535 27.868 18.869 1.00 1.34 H new ATOM 0 HH11 ARG A 26 28.667 30.576 20.093 1.00 2.50 H new ATOM 0 HH12 ARG A 26 29.953 31.110 21.180 1.00 2.50 H new ATOM 0 HH21 ARG A 26 32.156 28.566 20.228 1.00 2.71 H new ATOM 0 HH22 ARG A 26 31.911 29.982 21.255 1.00 2.71 H new ATOM 424 N ARG A 27 24.289 26.037 18.368 1.00 0.22 N ATOM 425 CA ARG A 27 23.913 24.643 17.986 1.00 0.26 C ATOM 426 C ARG A 27 23.863 24.525 16.465 1.00 0.22 C ATOM 427 O ARG A 27 24.395 23.596 15.891 1.00 0.24 O ATOM 428 CB ARG A 27 22.532 24.307 18.570 1.00 0.34 C ATOM 429 CG ARG A 27 22.681 23.562 19.912 1.00 0.58 C ATOM 430 CD ARG A 27 21.814 24.244 20.967 1.00 1.11 C ATOM 431 NE ARG A 27 22.123 23.691 22.322 1.00 1.43 N ATOM 432 CZ ARG A 27 22.087 22.407 22.570 1.00 1.85 C ATOM 433 NH1 ARG A 27 21.683 21.562 21.658 1.00 2.44 N ATOM 434 NH2 ARG A 27 22.422 21.974 23.754 1.00 2.29 N ATOM 0 H ARG A 27 23.690 26.471 19.070 1.00 0.22 H new ATOM 0 HA ARG A 27 24.655 23.948 18.379 1.00 0.26 H new ATOM 0 HB2 ARG A 27 21.960 25.223 18.717 1.00 0.34 H new ATOM 0 HB3 ARG A 27 21.972 23.692 17.866 1.00 0.34 H new ATOM 0 HG2 ARG A 27 22.382 22.520 19.798 1.00 0.58 H new ATOM 0 HG3 ARG A 27 23.724 23.562 20.227 1.00 0.58 H new ATOM 0 HD2 ARG A 27 21.992 25.319 20.955 1.00 1.11 H new ATOM 0 HD3 ARG A 27 20.760 24.093 20.736 1.00 1.11 H new ATOM 0 HE ARG A 27 22.369 24.334 23.075 1.00 1.43 H new ATOM 0 HH11 ARG A 27 21.392 21.902 20.741 1.00 2.44 H new ATOM 0 HH12 ARG A 27 21.659 20.563 21.863 1.00 2.44 H new ATOM 0 HH21 ARG A 27 22.709 22.635 24.476 1.00 2.29 H new ATOM 0 HH22 ARG A 27 22.397 20.975 23.957 1.00 2.29 H new ATOM 448 N ALA A 28 23.235 25.453 15.806 1.00 0.21 N ATOM 449 CA ALA A 28 23.173 25.372 14.327 1.00 0.20 C ATOM 450 C ALA A 28 24.601 25.375 13.779 1.00 0.18 C ATOM 451 O ALA A 28 24.919 24.671 12.843 1.00 0.18 O ATOM 452 CB ALA A 28 22.398 26.574 13.783 1.00 0.22 C ATOM 0 H ALA A 28 22.766 26.257 16.224 1.00 0.21 H new ATOM 0 HA ALA A 28 22.664 24.458 14.019 1.00 0.20 H new ATOM 0 HB1 ALA A 28 22.352 26.515 12.696 1.00 0.22 H new ATOM 0 HB2 ALA A 28 21.387 26.569 14.190 1.00 0.22 H new ATOM 0 HB3 ALA A 28 22.902 27.495 14.076 1.00 0.22 H new ATOM 458 N GLN A 29 25.465 26.152 14.367 1.00 0.17 N ATOM 459 CA GLN A 29 26.878 26.198 13.900 1.00 0.17 C ATOM 460 C GLN A 29 27.575 24.877 14.223 1.00 0.18 C ATOM 461 O GLN A 29 28.272 24.310 13.407 1.00 0.19 O ATOM 462 CB GLN A 29 27.611 27.331 14.628 1.00 0.17 C ATOM 463 CG GLN A 29 27.059 28.694 14.189 1.00 0.16 C ATOM 464 CD GLN A 29 28.218 29.676 13.986 1.00 0.42 C ATOM 465 OE1 GLN A 29 28.107 30.616 13.233 1.00 1.26 O ATOM 466 NE2 GLN A 29 29.337 29.493 14.632 1.00 1.16 N ATOM 0 H GLN A 29 25.252 26.762 15.157 1.00 0.17 H new ATOM 0 HA GLN A 29 26.894 26.366 12.823 1.00 0.17 H new ATOM 0 HB2 GLN A 29 27.495 27.214 15.706 1.00 0.17 H new ATOM 0 HB3 GLN A 29 28.679 27.278 14.415 1.00 0.17 H new ATOM 0 HG2 GLN A 29 26.493 28.588 13.264 1.00 0.16 H new ATOM 0 HG3 GLN A 29 26.371 29.079 14.942 1.00 0.16 H new ATOM 0 HE21 GLN A 29 29.435 28.702 15.268 1.00 1.16 H new ATOM 0 HE22 GLN A 29 30.113 30.141 14.501 1.00 1.16 H new ATOM 475 N GLU A 30 27.407 24.404 15.420 1.00 0.22 N ATOM 476 CA GLU A 30 28.071 23.139 15.832 1.00 0.25 C ATOM 477 C GLU A 30 27.508 21.940 15.061 1.00 0.22 C ATOM 478 O GLU A 30 28.232 21.026 14.721 1.00 0.23 O ATOM 479 CB GLU A 30 27.842 22.926 17.328 1.00 0.33 C ATOM 480 CG GLU A 30 28.480 24.081 18.121 1.00 0.41 C ATOM 481 CD GLU A 30 29.614 23.545 19.000 1.00 1.13 C ATOM 482 OE1 GLU A 30 29.376 22.597 19.730 1.00 1.87 O ATOM 483 OE2 GLU A 30 30.703 24.093 18.929 1.00 1.85 O ATOM 0 H GLU A 30 26.832 24.843 16.140 1.00 0.22 H new ATOM 0 HA GLU A 30 29.136 23.217 15.612 1.00 0.25 H new ATOM 0 HB2 GLU A 30 26.774 22.874 17.538 1.00 0.33 H new ATOM 0 HB3 GLU A 30 28.275 21.975 17.640 1.00 0.33 H new ATOM 0 HG2 GLU A 30 28.865 24.836 17.435 1.00 0.41 H new ATOM 0 HG3 GLU A 30 27.727 24.568 18.740 1.00 0.41 H new ATOM 490 N ILE A 31 26.228 21.912 14.801 1.00 0.22 N ATOM 491 CA ILE A 31 25.653 20.737 14.079 1.00 0.22 C ATOM 492 C ILE A 31 25.959 20.815 12.578 1.00 0.18 C ATOM 493 O ILE A 31 26.513 19.896 12.009 1.00 0.19 O ATOM 494 CB ILE A 31 24.136 20.672 14.319 1.00 0.28 C ATOM 495 CG1 ILE A 31 23.620 19.258 13.992 1.00 0.53 C ATOM 496 CG2 ILE A 31 23.402 21.714 13.466 1.00 0.28 C ATOM 497 CD1 ILE A 31 23.809 18.926 12.504 1.00 0.45 C ATOM 0 H ILE A 31 25.562 22.642 15.053 1.00 0.22 H new ATOM 0 HA ILE A 31 26.113 19.828 14.467 1.00 0.22 H new ATOM 0 HB ILE A 31 23.939 20.895 15.368 1.00 0.28 H new ATOM 0 HG12 ILE A 31 24.150 18.525 14.601 1.00 0.53 H new ATOM 0 HG13 ILE A 31 22.564 19.185 14.252 1.00 0.53 H new ATOM 0 HG21 ILE A 31 22.330 21.648 13.654 1.00 0.28 H new ATOM 0 HG22 ILE A 31 23.755 22.712 13.727 1.00 0.28 H new ATOM 0 HG23 ILE A 31 23.598 21.524 12.411 1.00 0.28 H new ATOM 0 HD11 ILE A 31 23.435 17.922 12.305 1.00 0.45 H new ATOM 0 HD12 ILE A 31 23.258 19.645 11.898 1.00 0.45 H new ATOM 0 HD13 ILE A 31 24.868 18.975 12.252 1.00 0.45 H new ATOM 509 N LEU A 32 25.610 21.890 11.924 1.00 0.15 N ATOM 510 CA LEU A 32 25.892 21.990 10.469 1.00 0.13 C ATOM 511 C LEU A 32 27.396 21.835 10.242 1.00 0.14 C ATOM 512 O LEU A 32 27.843 21.502 9.162 1.00 0.18 O ATOM 513 CB LEU A 32 25.416 23.357 9.957 1.00 0.12 C ATOM 514 CG LEU A 32 23.961 23.264 9.453 1.00 0.12 C ATOM 515 CD1 LEU A 32 23.287 24.638 9.550 1.00 0.14 C ATOM 516 CD2 LEU A 32 23.940 22.803 7.986 1.00 0.15 C ATOM 0 H LEU A 32 25.144 22.699 12.335 1.00 0.15 H new ATOM 0 HA LEU A 32 25.365 21.204 9.927 1.00 0.13 H new ATOM 0 HB2 LEU A 32 25.485 24.096 10.755 1.00 0.12 H new ATOM 0 HB3 LEU A 32 26.066 23.697 9.151 1.00 0.12 H new ATOM 0 HG LEU A 32 23.424 22.544 10.071 1.00 0.12 H new ATOM 0 HD11 LEU A 32 22.260 24.565 9.193 1.00 0.14 H new ATOM 0 HD12 LEU A 32 23.287 24.971 10.588 1.00 0.14 H new ATOM 0 HD13 LEU A 32 23.834 25.356 8.939 1.00 0.14 H new ATOM 0 HD21 LEU A 32 22.909 22.740 7.639 1.00 0.15 H new ATOM 0 HD22 LEU A 32 24.487 23.519 7.372 1.00 0.15 H new ATOM 0 HD23 LEU A 32 24.410 21.823 7.906 1.00 0.15 H new ATOM 528 N SER A 33 28.179 22.067 11.259 1.00 0.14 N ATOM 529 CA SER A 33 29.653 21.928 11.117 1.00 0.17 C ATOM 530 C SER A 33 30.005 20.456 10.882 1.00 0.19 C ATOM 531 O SER A 33 31.003 20.137 10.266 1.00 0.23 O ATOM 532 CB SER A 33 30.331 22.427 12.396 1.00 0.19 C ATOM 533 OG SER A 33 30.679 23.795 12.235 1.00 1.31 O ATOM 0 H SER A 33 27.859 22.348 12.186 1.00 0.14 H new ATOM 0 HA SER A 33 30.000 22.519 10.269 1.00 0.17 H new ATOM 0 HB2 SER A 33 29.661 22.307 13.248 1.00 0.19 H new ATOM 0 HB3 SER A 33 31.222 21.835 12.605 1.00 0.19 H new ATOM 0 HG SER A 33 29.959 24.359 12.586 1.00 1.31 H new ATOM 539 N GLN A 34 29.197 19.558 11.376 1.00 0.19 N ATOM 540 CA GLN A 34 29.485 18.109 11.190 1.00 0.24 C ATOM 541 C GLN A 34 28.803 17.601 9.914 1.00 0.20 C ATOM 542 O GLN A 34 28.859 16.430 9.598 1.00 0.22 O ATOM 543 CB GLN A 34 28.951 17.340 12.400 1.00 0.32 C ATOM 544 CG GLN A 34 29.369 18.057 13.685 1.00 0.56 C ATOM 545 CD GLN A 34 30.893 18.194 13.723 1.00 0.79 C ATOM 546 OE1 GLN A 34 31.591 17.261 14.069 1.00 1.58 O ATOM 547 NE2 GLN A 34 31.443 19.325 13.376 1.00 0.97 N ATOM 0 H GLN A 34 28.348 19.767 11.901 1.00 0.19 H new ATOM 0 HA GLN A 34 30.561 17.957 11.099 1.00 0.24 H new ATOM 0 HB2 GLN A 34 27.865 17.268 12.348 1.00 0.32 H new ATOM 0 HB3 GLN A 34 29.339 16.321 12.397 1.00 0.32 H new ATOM 0 HG2 GLN A 34 28.904 19.042 13.732 1.00 0.56 H new ATOM 0 HG3 GLN A 34 29.022 17.499 14.554 1.00 0.56 H new ATOM 0 HE21 GLN A 34 30.858 20.109 13.085 1.00 0.97 H new ATOM 0 HE22 GLN A 34 32.458 19.426 13.395 1.00 0.97 H new ATOM 556 N LEU A 35 28.158 18.470 9.177 1.00 0.18 N ATOM 557 CA LEU A 35 27.475 18.029 7.928 1.00 0.17 C ATOM 558 C LEU A 35 28.440 18.172 6.734 1.00 0.16 C ATOM 559 O LEU A 35 28.998 19.232 6.528 1.00 0.17 O ATOM 560 CB LEU A 35 26.234 18.909 7.700 1.00 0.17 C ATOM 561 CG LEU A 35 25.045 18.393 8.532 1.00 0.21 C ATOM 562 CD1 LEU A 35 23.810 19.250 8.245 1.00 0.22 C ATOM 563 CD2 LEU A 35 24.727 16.934 8.172 1.00 0.29 C ATOM 0 H LEU A 35 28.076 19.465 9.388 1.00 0.18 H new ATOM 0 HA LEU A 35 27.174 16.986 8.020 1.00 0.17 H new ATOM 0 HB2 LEU A 35 26.457 19.940 7.974 1.00 0.17 H new ATOM 0 HB3 LEU A 35 25.972 18.910 6.642 1.00 0.17 H new ATOM 0 HG LEU A 35 25.311 18.453 9.587 1.00 0.21 H new ATOM 0 HD11 LEU A 35 22.969 18.885 8.834 1.00 0.22 H new ATOM 0 HD12 LEU A 35 24.016 20.287 8.512 1.00 0.22 H new ATOM 0 HD13 LEU A 35 23.564 19.190 7.185 1.00 0.22 H new ATOM 0 HD21 LEU A 35 23.884 16.587 8.770 1.00 0.29 H new ATOM 0 HD22 LEU A 35 24.473 16.867 7.114 1.00 0.29 H new ATOM 0 HD23 LEU A 35 25.598 16.311 8.376 1.00 0.29 H new ATOM 575 N PRO A 36 28.618 17.104 5.978 1.00 0.19 N ATOM 576 CA PRO A 36 29.521 17.116 4.810 1.00 0.22 C ATOM 577 C PRO A 36 28.982 18.076 3.743 1.00 0.19 C ATOM 578 O PRO A 36 28.611 17.682 2.656 1.00 0.21 O ATOM 579 CB PRO A 36 29.528 15.664 4.305 1.00 0.27 C ATOM 580 CG PRO A 36 28.406 14.914 5.056 1.00 0.27 C ATOM 581 CD PRO A 36 27.947 15.810 6.214 1.00 0.22 C ATOM 0 HA PRO A 36 30.526 17.458 5.055 1.00 0.22 H new ATOM 0 HB2 PRO A 36 29.360 15.630 3.229 1.00 0.27 H new ATOM 0 HB3 PRO A 36 30.495 15.196 4.491 1.00 0.27 H new ATOM 0 HG2 PRO A 36 27.574 14.698 4.386 1.00 0.27 H new ATOM 0 HG3 PRO A 36 28.769 13.958 5.432 1.00 0.27 H new ATOM 0 HD2 PRO A 36 26.863 15.922 6.222 1.00 0.22 H new ATOM 0 HD3 PRO A 36 28.231 15.387 7.178 1.00 0.22 H new ATOM 589 N ILE A 37 28.948 19.337 4.057 1.00 0.18 N ATOM 590 CA ILE A 37 28.448 20.346 3.081 1.00 0.16 C ATOM 591 C ILE A 37 29.550 20.626 2.064 1.00 0.19 C ATOM 592 O ILE A 37 30.721 20.601 2.386 1.00 0.25 O ATOM 593 CB ILE A 37 28.105 21.642 3.819 1.00 0.17 C ATOM 594 CG1 ILE A 37 26.950 21.357 4.802 1.00 0.16 C ATOM 595 CG2 ILE A 37 27.729 22.741 2.802 1.00 0.18 C ATOM 596 CD1 ILE A 37 25.607 21.240 4.071 1.00 0.17 C ATOM 0 H ILE A 37 29.247 19.718 4.955 1.00 0.18 H new ATOM 0 HA ILE A 37 27.557 19.969 2.578 1.00 0.16 H new ATOM 0 HB ILE A 37 28.966 22.000 4.384 1.00 0.17 H new ATOM 0 HG12 ILE A 37 27.152 20.433 5.345 1.00 0.16 H new ATOM 0 HG13 ILE A 37 26.895 22.156 5.542 1.00 0.16 H new ATOM 0 HG21 ILE A 37 27.486 23.661 3.334 1.00 0.18 H new ATOM 0 HG22 ILE A 37 28.570 22.920 2.132 1.00 0.18 H new ATOM 0 HG23 ILE A 37 26.865 22.419 2.221 1.00 0.18 H new ATOM 0 HD11 ILE A 37 24.816 21.039 4.793 1.00 0.17 H new ATOM 0 HD12 ILE A 37 25.394 22.173 3.550 1.00 0.17 H new ATOM 0 HD13 ILE A 37 25.655 20.424 3.350 1.00 0.17 H new ATOM 608 N LYS A 38 29.194 20.897 0.842 1.00 0.18 N ATOM 609 CA LYS A 38 30.238 21.180 -0.175 1.00 0.21 C ATOM 610 C LYS A 38 31.168 22.285 0.362 1.00 0.25 C ATOM 611 O LYS A 38 31.009 22.746 1.473 1.00 0.43 O ATOM 612 CB LYS A 38 29.574 21.612 -1.488 1.00 0.21 C ATOM 613 CG LYS A 38 28.705 20.461 -2.045 1.00 0.29 C ATOM 614 CD LYS A 38 29.169 20.053 -3.460 1.00 0.71 C ATOM 615 CE LYS A 38 27.979 20.048 -4.423 1.00 1.10 C ATOM 616 NZ LYS A 38 28.482 20.034 -5.828 1.00 1.79 N ATOM 0 H LYS A 38 28.232 20.935 0.506 1.00 0.18 H new ATOM 0 HA LYS A 38 30.828 20.285 -0.371 1.00 0.21 H new ATOM 0 HB2 LYS A 38 28.958 22.495 -1.320 1.00 0.21 H new ATOM 0 HB3 LYS A 38 30.336 21.889 -2.217 1.00 0.21 H new ATOM 0 HG2 LYS A 38 28.762 19.601 -1.377 1.00 0.29 H new ATOM 0 HG3 LYS A 38 27.661 20.771 -2.076 1.00 0.29 H new ATOM 0 HD2 LYS A 38 29.931 20.746 -3.815 1.00 0.71 H new ATOM 0 HD3 LYS A 38 29.627 19.064 -3.430 1.00 0.71 H new ATOM 0 HE2 LYS A 38 27.352 19.175 -4.240 1.00 1.10 H new ATOM 0 HE3 LYS A 38 27.357 20.928 -4.256 1.00 1.10 H new ATOM 0 HZ1 LYS A 38 27.676 20.031 -6.485 1.00 1.79 H new ATOM 0 HZ2 LYS A 38 29.063 20.880 -5.997 1.00 1.79 H new ATOM 0 HZ3 LYS A 38 29.058 19.182 -5.982 1.00 1.79 H new ATOM 630 N GLN A 39 32.146 22.693 -0.402 1.00 0.32 N ATOM 631 CA GLN A 39 33.102 23.747 0.075 1.00 0.33 C ATOM 632 C GLN A 39 32.368 24.998 0.593 1.00 0.33 C ATOM 633 O GLN A 39 31.571 24.935 1.507 1.00 0.98 O ATOM 634 CB GLN A 39 34.017 24.144 -1.080 1.00 0.60 C ATOM 635 CG GLN A 39 34.676 22.895 -1.659 1.00 0.94 C ATOM 636 CD GLN A 39 35.593 23.304 -2.811 1.00 1.76 C ATOM 637 OE1 GLN A 39 36.697 23.770 -2.596 1.00 2.45 O ATOM 638 NE2 GLN A 39 35.170 23.151 -4.033 1.00 2.55 N ATOM 0 H GLN A 39 32.329 22.342 -1.342 1.00 0.32 H new ATOM 0 HA GLN A 39 33.678 23.332 0.902 1.00 0.33 H new ATOM 0 HB2 GLN A 39 33.444 24.657 -1.852 1.00 0.60 H new ATOM 0 HB3 GLN A 39 34.778 24.842 -0.732 1.00 0.60 H new ATOM 0 HG2 GLN A 39 35.248 22.379 -0.888 1.00 0.94 H new ATOM 0 HG3 GLN A 39 33.916 22.198 -2.012 1.00 0.94 H new ATOM 0 HE21 GLN A 39 34.244 22.760 -4.207 1.00 2.55 H new ATOM 0 HE22 GLN A 39 35.765 23.422 -4.816 1.00 2.55 H new ATOM 647 N GLY A 40 32.672 26.142 0.028 1.00 0.37 N ATOM 648 CA GLY A 40 32.042 27.423 0.481 1.00 0.28 C ATOM 649 C GLY A 40 30.527 27.409 0.270 1.00 0.24 C ATOM 650 O GLY A 40 29.963 28.340 -0.269 1.00 0.26 O ATOM 0 H GLY A 40 33.338 26.244 -0.738 1.00 0.37 H new ATOM 0 HA2 GLY A 40 32.262 27.584 1.536 1.00 0.28 H new ATOM 0 HA3 GLY A 40 32.479 28.258 -0.067 1.00 0.28 H new ATOM 654 N LEU A 41 29.860 26.378 0.699 1.00 0.20 N ATOM 655 CA LEU A 41 28.373 26.329 0.532 1.00 0.18 C ATOM 656 C LEU A 41 27.702 26.595 1.879 1.00 0.18 C ATOM 657 O LEU A 41 26.573 27.041 1.948 1.00 0.28 O ATOM 658 CB LEU A 41 27.955 24.948 0.006 1.00 0.17 C ATOM 659 CG LEU A 41 27.110 25.100 -1.273 1.00 0.16 C ATOM 660 CD1 LEU A 41 28.034 25.314 -2.476 1.00 0.18 C ATOM 661 CD2 LEU A 41 26.252 23.841 -1.500 1.00 0.18 C ATOM 0 H LEU A 41 30.273 25.566 1.158 1.00 0.20 H new ATOM 0 HA LEU A 41 28.063 27.091 -0.183 1.00 0.18 H new ATOM 0 HB2 LEU A 41 28.840 24.347 -0.203 1.00 0.17 H new ATOM 0 HB3 LEU A 41 27.383 24.418 0.768 1.00 0.17 H new ATOM 0 HG LEU A 41 26.451 25.961 -1.160 1.00 0.16 H new ATOM 0 HD11 LEU A 41 27.435 25.421 -3.380 1.00 0.18 H new ATOM 0 HD12 LEU A 41 28.626 26.216 -2.324 1.00 0.18 H new ATOM 0 HD13 LEU A 41 28.699 24.457 -2.581 1.00 0.18 H new ATOM 0 HD21 LEU A 41 25.660 23.963 -2.407 1.00 0.18 H new ATOM 0 HD22 LEU A 41 26.902 22.972 -1.604 1.00 0.18 H new ATOM 0 HD23 LEU A 41 25.586 23.696 -0.649 1.00 0.18 H new ATOM 673 N LEU A 42 28.391 26.324 2.950 1.00 0.14 N ATOM 674 CA LEU A 42 27.809 26.554 4.301 1.00 0.13 C ATOM 675 C LEU A 42 28.396 27.838 4.886 1.00 0.13 C ATOM 676 O LEU A 42 29.593 28.049 4.871 1.00 0.16 O ATOM 677 CB LEU A 42 28.147 25.352 5.195 1.00 0.13 C ATOM 678 CG LEU A 42 27.863 25.660 6.670 1.00 0.11 C ATOM 679 CD1 LEU A 42 26.350 25.686 6.920 1.00 0.10 C ATOM 680 CD2 LEU A 42 28.497 24.566 7.535 1.00 0.14 C ATOM 0 H LEU A 42 29.340 25.950 2.948 1.00 0.14 H new ATOM 0 HA LEU A 42 26.726 26.660 4.238 1.00 0.13 H new ATOM 0 HB2 LEU A 42 27.562 24.487 4.882 1.00 0.13 H new ATOM 0 HB3 LEU A 42 29.197 25.088 5.072 1.00 0.13 H new ATOM 0 HG LEU A 42 28.283 26.633 6.924 1.00 0.11 H new ATOM 0 HD11 LEU A 42 26.158 25.905 7.970 1.00 0.10 H new ATOM 0 HD12 LEU A 42 25.892 26.456 6.299 1.00 0.10 H new ATOM 0 HD13 LEU A 42 25.923 24.715 6.669 1.00 0.10 H new ATOM 0 HD21 LEU A 42 28.301 24.775 8.587 1.00 0.14 H new ATOM 0 HD22 LEU A 42 28.068 23.599 7.271 1.00 0.14 H new ATOM 0 HD23 LEU A 42 29.573 24.545 7.363 1.00 0.14 H new ATOM 692 N GLU A 43 27.560 28.702 5.393 1.00 0.10 N ATOM 693 CA GLU A 43 28.063 29.980 5.973 1.00 0.11 C ATOM 694 C GLU A 43 27.243 30.348 7.213 1.00 0.10 C ATOM 695 O GLU A 43 26.145 29.865 7.413 1.00 0.16 O ATOM 696 CB GLU A 43 27.927 31.092 4.923 1.00 0.13 C ATOM 697 CG GLU A 43 28.796 32.303 5.311 1.00 0.38 C ATOM 698 CD GLU A 43 29.863 32.542 4.237 1.00 1.21 C ATOM 699 OE1 GLU A 43 30.395 31.568 3.730 1.00 1.79 O ATOM 700 OE2 GLU A 43 30.129 33.695 3.942 1.00 2.01 O ATOM 0 H GLU A 43 26.548 28.578 5.431 1.00 0.10 H new ATOM 0 HA GLU A 43 29.108 29.863 6.259 1.00 0.11 H new ATOM 0 HB2 GLU A 43 28.229 30.717 3.945 1.00 0.13 H new ATOM 0 HB3 GLU A 43 26.884 31.396 4.839 1.00 0.13 H new ATOM 0 HG2 GLU A 43 28.172 33.190 5.420 1.00 0.38 H new ATOM 0 HG3 GLU A 43 29.271 32.127 6.276 1.00 0.38 H new ATOM 707 N PHE A 44 27.767 31.217 8.034 1.00 0.10 N ATOM 708 CA PHE A 44 27.035 31.656 9.258 1.00 0.10 C ATOM 709 C PHE A 44 26.946 33.177 9.216 1.00 0.11 C ATOM 710 O PHE A 44 27.945 33.869 9.202 1.00 0.11 O ATOM 711 CB PHE A 44 27.795 31.207 10.505 1.00 0.12 C ATOM 712 CG PHE A 44 28.207 29.764 10.338 1.00 0.12 C ATOM 713 CD1 PHE A 44 27.278 28.740 10.559 1.00 0.14 C ATOM 714 CD2 PHE A 44 29.515 29.449 9.951 1.00 0.15 C ATOM 715 CE1 PHE A 44 27.658 27.402 10.395 1.00 0.15 C ATOM 716 CE2 PHE A 44 29.895 28.112 9.788 1.00 0.16 C ATOM 717 CZ PHE A 44 28.966 27.089 10.010 1.00 0.15 C ATOM 0 H PHE A 44 28.683 31.647 7.907 1.00 0.10 H new ATOM 0 HA PHE A 44 26.038 31.216 9.292 1.00 0.10 H new ATOM 0 HB2 PHE A 44 28.674 31.834 10.656 1.00 0.12 H new ATOM 0 HB3 PHE A 44 27.167 31.319 11.389 1.00 0.12 H new ATOM 0 HD1 PHE A 44 26.268 28.982 10.856 1.00 0.14 H new ATOM 0 HD2 PHE A 44 30.231 30.238 9.778 1.00 0.15 H new ATOM 0 HE1 PHE A 44 26.941 26.612 10.566 1.00 0.15 H new ATOM 0 HE2 PHE A 44 30.905 27.870 9.491 1.00 0.16 H new ATOM 0 HZ PHE A 44 29.259 26.057 9.884 1.00 0.15 H new ATOM 727 N VAL A 45 25.756 33.700 9.135 1.00 0.11 N ATOM 728 CA VAL A 45 25.593 35.175 9.023 1.00 0.12 C ATOM 729 C VAL A 45 25.242 35.816 10.366 1.00 0.11 C ATOM 730 O VAL A 45 24.121 35.743 10.831 1.00 0.13 O ATOM 731 CB VAL A 45 24.476 35.447 8.017 1.00 0.13 C ATOM 732 CG1 VAL A 45 24.233 36.960 7.901 1.00 0.17 C ATOM 733 CG2 VAL A 45 24.878 34.857 6.653 1.00 0.13 C ATOM 0 H VAL A 45 24.886 33.168 9.142 1.00 0.11 H new ATOM 0 HA VAL A 45 26.537 35.612 8.696 1.00 0.12 H new ATOM 0 HB VAL A 45 23.551 34.978 8.353 1.00 0.13 H new ATOM 0 HG11 VAL A 45 23.435 37.146 7.182 1.00 0.17 H new ATOM 0 HG12 VAL A 45 23.945 37.358 8.874 1.00 0.17 H new ATOM 0 HG13 VAL A 45 25.146 37.450 7.565 1.00 0.17 H new ATOM 0 HG21 VAL A 45 24.087 35.046 5.927 1.00 0.13 H new ATOM 0 HG22 VAL A 45 25.802 35.324 6.312 1.00 0.13 H new ATOM 0 HG23 VAL A 45 25.030 33.782 6.752 1.00 0.13 H new ATOM 743 N ASP A 46 26.190 36.478 10.972 1.00 0.11 N ATOM 744 CA ASP A 46 25.922 37.169 12.261 1.00 0.11 C ATOM 745 C ASP A 46 25.240 38.507 11.949 1.00 0.13 C ATOM 746 O ASP A 46 25.879 39.460 11.551 1.00 0.16 O ATOM 747 CB ASP A 46 27.248 37.414 12.981 1.00 0.12 C ATOM 748 CG ASP A 46 28.061 36.118 13.012 1.00 0.17 C ATOM 749 OD1 ASP A 46 27.481 35.085 13.304 1.00 1.07 O ATOM 750 OD2 ASP A 46 29.249 36.180 12.741 1.00 1.12 O ATOM 0 H ASP A 46 27.145 36.569 10.625 1.00 0.11 H new ATOM 0 HA ASP A 46 25.279 36.564 12.900 1.00 0.11 H new ATOM 0 HB2 ASP A 46 27.811 38.196 12.472 1.00 0.12 H new ATOM 0 HB3 ASP A 46 27.063 37.764 13.997 1.00 0.12 H new ATOM 755 N ILE A 47 23.944 38.572 12.090 1.00 0.13 N ATOM 756 CA ILE A 47 23.211 39.832 11.762 1.00 0.16 C ATOM 757 C ILE A 47 23.662 40.996 12.654 1.00 0.21 C ATOM 758 O ILE A 47 23.214 42.113 12.484 1.00 0.25 O ATOM 759 CB ILE A 47 21.710 39.606 11.931 1.00 0.16 C ATOM 760 CG1 ILE A 47 21.440 38.965 13.293 1.00 0.17 C ATOM 761 CG2 ILE A 47 21.215 38.675 10.823 1.00 0.15 C ATOM 762 CD1 ILE A 47 19.933 38.930 13.565 1.00 0.23 C ATOM 0 H ILE A 47 23.358 37.805 12.419 1.00 0.13 H new ATOM 0 HA ILE A 47 23.436 40.096 10.729 1.00 0.16 H new ATOM 0 HB ILE A 47 21.187 40.560 11.871 1.00 0.16 H new ATOM 0 HG12 ILE A 47 21.846 37.954 13.315 1.00 0.17 H new ATOM 0 HG13 ILE A 47 21.946 39.529 14.076 1.00 0.17 H new ATOM 0 HG21 ILE A 47 20.144 38.510 10.938 1.00 0.15 H new ATOM 0 HG22 ILE A 47 21.410 39.130 9.852 1.00 0.15 H new ATOM 0 HG23 ILE A 47 21.738 37.721 10.888 1.00 0.15 H new ATOM 0 HD11 ILE A 47 19.749 38.472 14.537 1.00 0.23 H new ATOM 0 HD12 ILE A 47 19.539 39.946 13.562 1.00 0.23 H new ATOM 0 HD13 ILE A 47 19.437 38.347 12.789 1.00 0.23 H new ATOM 774 N THR A 48 24.542 40.766 13.591 1.00 0.25 N ATOM 775 CA THR A 48 24.999 41.895 14.462 1.00 0.32 C ATOM 776 C THR A 48 26.283 42.485 13.887 1.00 0.40 C ATOM 777 O THR A 48 26.627 43.621 14.147 1.00 0.76 O ATOM 778 CB THR A 48 25.260 41.394 15.887 1.00 0.37 C ATOM 779 OG1 THR A 48 26.345 42.117 16.448 1.00 1.24 O ATOM 780 CG2 THR A 48 25.604 39.906 15.860 1.00 1.17 C ATOM 0 H THR A 48 24.962 39.858 13.792 1.00 0.25 H new ATOM 0 HA THR A 48 24.222 42.658 14.494 1.00 0.32 H new ATOM 0 HB THR A 48 24.365 41.545 16.490 1.00 0.37 H new ATOM 0 HG1 THR A 48 26.513 41.800 17.360 1.00 1.24 H new ATOM 0 HG21 THR A 48 25.788 39.557 16.876 1.00 1.17 H new ATOM 0 HG22 THR A 48 24.772 39.348 15.430 1.00 1.17 H new ATOM 0 HG23 THR A 48 26.497 39.750 15.255 1.00 1.17 H new ATOM 788 N ALA A 49 26.990 41.728 13.099 1.00 0.40 N ATOM 789 CA ALA A 49 28.247 42.250 12.497 1.00 0.42 C ATOM 790 C ALA A 49 27.903 43.155 11.308 1.00 0.34 C ATOM 791 O ALA A 49 28.748 43.457 10.489 1.00 0.40 O ATOM 792 CB ALA A 49 29.100 41.072 12.014 1.00 0.57 C ATOM 0 H ALA A 49 26.752 40.769 12.845 1.00 0.40 H new ATOM 0 HA ALA A 49 28.802 42.823 13.240 1.00 0.42 H new ATOM 0 HB1 ALA A 49 30.023 41.448 11.572 1.00 0.57 H new ATOM 0 HB2 ALA A 49 29.339 40.426 12.858 1.00 0.57 H new ATOM 0 HB3 ALA A 49 28.545 40.503 11.268 1.00 0.57 H new ATOM 798 N THR A 50 26.669 43.581 11.195 1.00 0.30 N ATOM 799 CA THR A 50 26.283 44.455 10.044 1.00 0.37 C ATOM 800 C THR A 50 25.272 45.505 10.502 1.00 0.41 C ATOM 801 O THR A 50 24.764 46.273 9.710 1.00 0.56 O ATOM 802 CB THR A 50 25.658 43.595 8.933 1.00 0.45 C ATOM 803 OG1 THR A 50 25.343 44.421 7.820 1.00 0.60 O ATOM 804 CG2 THR A 50 24.378 42.916 9.442 1.00 0.36 C ATOM 0 H THR A 50 25.915 43.363 11.847 1.00 0.30 H new ATOM 0 HA THR A 50 27.173 44.956 9.663 1.00 0.37 H new ATOM 0 HB THR A 50 26.372 42.827 8.635 1.00 0.45 H new ATOM 0 HG1 THR A 50 25.111 45.320 8.135 1.00 0.60 H new ATOM 0 HG21 THR A 50 23.946 42.310 8.645 1.00 0.36 H new ATOM 0 HG22 THR A 50 24.618 42.279 10.293 1.00 0.36 H new ATOM 0 HG23 THR A 50 23.660 43.677 9.749 1.00 0.36 H new ATOM 812 N ASN A 51 24.973 45.544 11.770 1.00 0.39 N ATOM 813 CA ASN A 51 23.993 46.548 12.276 1.00 0.52 C ATOM 814 C ASN A 51 22.607 46.243 11.697 1.00 0.44 C ATOM 815 O ASN A 51 22.412 45.262 11.007 1.00 0.44 O ATOM 816 CB ASN A 51 24.436 47.960 11.855 1.00 0.69 C ATOM 817 CG ASN A 51 24.845 48.776 13.082 1.00 1.57 C ATOM 818 OD1 ASN A 51 24.986 48.248 14.168 1.00 2.41 O ATOM 819 ND2 ASN A 51 25.051 50.055 12.948 1.00 2.18 N ATOM 0 H ASN A 51 25.364 44.924 12.479 1.00 0.39 H new ATOM 0 HA ASN A 51 23.948 46.498 13.364 1.00 0.52 H new ATOM 0 HB2 ASN A 51 25.272 47.894 11.159 1.00 0.69 H new ATOM 0 HB3 ASN A 51 23.623 48.462 11.330 1.00 0.69 H new ATOM 0 HD21 ASN A 51 25.331 50.614 13.754 1.00 2.18 H new ATOM 0 HD22 ASN A 51 24.933 50.498 12.037 1.00 2.18 H new ATOM 826 N HIS A 52 21.644 47.085 11.972 1.00 0.44 N ATOM 827 CA HIS A 52 20.270 46.857 11.439 1.00 0.42 C ATOM 828 C HIS A 52 19.738 45.513 11.939 1.00 0.32 C ATOM 829 O HIS A 52 18.815 44.958 11.380 1.00 0.28 O ATOM 830 CB HIS A 52 20.306 46.847 9.911 1.00 0.50 C ATOM 831 CG HIS A 52 21.152 47.980 9.417 1.00 0.91 C ATOM 832 ND1 HIS A 52 21.872 47.892 8.240 1.00 1.59 N ATOM 833 CD2 HIS A 52 21.396 49.235 9.916 1.00 1.33 C ATOM 834 CE1 HIS A 52 22.509 49.062 8.067 1.00 2.21 C ATOM 835 NE2 HIS A 52 22.255 49.918 9.061 1.00 2.05 N ATOM 0 H HIS A 52 21.752 47.922 12.544 1.00 0.44 H new ATOM 0 HA HIS A 52 19.617 47.658 11.784 1.00 0.42 H new ATOM 0 HB2 HIS A 52 20.707 45.899 9.554 1.00 0.50 H new ATOM 0 HB3 HIS A 52 19.295 46.936 9.513 1.00 0.50 H new ATOM 0 HD2 HIS A 52 20.984 49.632 10.832 1.00 1.33 H new ATOM 0 HE1 HIS A 52 23.149 49.284 7.226 1.00 2.21 H new ATOM 0 HE2 HIS A 52 22.613 50.867 9.169 1.00 2.05 H new ATOM 843 N THR A 53 20.320 44.987 12.985 1.00 0.34 N ATOM 844 CA THR A 53 19.866 43.672 13.534 1.00 0.32 C ATOM 845 C THR A 53 18.349 43.521 13.372 1.00 0.29 C ATOM 846 O THR A 53 17.872 42.657 12.665 1.00 0.30 O ATOM 847 CB THR A 53 20.222 43.598 15.031 1.00 0.41 C ATOM 848 OG1 THR A 53 20.719 44.858 15.457 1.00 0.89 O ATOM 849 CG2 THR A 53 21.287 42.524 15.279 1.00 0.41 C ATOM 0 H THR A 53 21.097 45.415 13.488 1.00 0.34 H new ATOM 0 HA THR A 53 20.364 42.870 12.988 1.00 0.32 H new ATOM 0 HB THR A 53 19.325 43.339 15.593 1.00 0.41 H new ATOM 0 HG1 THR A 53 20.945 44.815 16.410 1.00 0.89 H new ATOM 0 HG21 THR A 53 21.525 42.487 16.342 1.00 0.41 H new ATOM 0 HG22 THR A 53 20.907 41.554 14.958 1.00 0.41 H new ATOM 0 HG23 THR A 53 22.187 42.766 14.714 1.00 0.41 H new ATOM 857 N ASN A 54 17.595 44.343 14.040 1.00 0.30 N ATOM 858 CA ASN A 54 16.109 44.243 13.961 1.00 0.30 C ATOM 859 C ASN A 54 15.622 44.302 12.510 1.00 0.26 C ATOM 860 O ASN A 54 14.666 43.646 12.151 1.00 0.26 O ATOM 861 CB ASN A 54 15.488 45.397 14.742 1.00 0.34 C ATOM 862 CG ASN A 54 16.073 45.432 16.153 1.00 0.43 C ATOM 863 OD1 ASN A 54 16.938 44.647 16.485 1.00 1.12 O ATOM 864 ND2 ASN A 54 15.634 46.317 17.002 1.00 1.21 N ATOM 0 H ASN A 54 17.944 45.087 14.643 1.00 0.30 H new ATOM 0 HA ASN A 54 15.808 43.285 14.386 1.00 0.30 H new ATOM 0 HB2 ASN A 54 15.683 46.341 14.233 1.00 0.34 H new ATOM 0 HB3 ASN A 54 14.406 45.277 14.789 1.00 0.34 H new ATOM 0 HD21 ASN A 54 16.017 46.351 17.947 1.00 1.21 H new ATOM 0 HD22 ASN A 54 14.907 46.976 16.722 1.00 1.21 H new ATOM 871 N GLU A 55 16.243 45.086 11.672 1.00 0.25 N ATOM 872 CA GLU A 55 15.760 45.172 10.262 1.00 0.24 C ATOM 873 C GLU A 55 15.826 43.793 9.610 1.00 0.21 C ATOM 874 O GLU A 55 14.898 43.364 8.953 1.00 0.21 O ATOM 875 CB GLU A 55 16.631 46.141 9.472 1.00 0.26 C ATOM 876 CG GLU A 55 16.544 47.528 10.105 1.00 0.38 C ATOM 877 CD GLU A 55 15.156 48.117 9.846 1.00 1.34 C ATOM 878 OE1 GLU A 55 14.861 48.405 8.698 1.00 2.08 O ATOM 879 OE2 GLU A 55 14.412 48.270 10.801 1.00 2.12 O ATOM 0 H GLU A 55 17.053 45.664 11.896 1.00 0.25 H new ATOM 0 HA GLU A 55 14.730 45.529 10.263 1.00 0.24 H new ATOM 0 HB2 GLU A 55 17.665 45.796 9.465 1.00 0.26 H new ATOM 0 HB3 GLU A 55 16.301 46.181 8.434 1.00 0.26 H new ATOM 0 HG2 GLU A 55 16.730 47.463 11.177 1.00 0.38 H new ATOM 0 HG3 GLU A 55 17.312 48.180 9.687 1.00 0.38 H new ATOM 886 N ILE A 56 16.907 43.088 9.784 1.00 0.19 N ATOM 887 CA ILE A 56 17.005 41.739 9.169 1.00 0.18 C ATOM 888 C ILE A 56 15.974 40.815 9.826 1.00 0.17 C ATOM 889 O ILE A 56 15.183 40.187 9.154 1.00 0.18 O ATOM 890 CB ILE A 56 18.419 41.181 9.363 1.00 0.17 C ATOM 891 CG1 ILE A 56 19.391 41.881 8.393 1.00 0.19 C ATOM 892 CG2 ILE A 56 18.413 39.675 9.084 1.00 0.17 C ATOM 893 CD1 ILE A 56 20.023 43.105 9.066 1.00 0.22 C ATOM 0 H ILE A 56 17.721 43.385 10.322 1.00 0.19 H new ATOM 0 HA ILE A 56 16.802 41.804 8.100 1.00 0.18 H new ATOM 0 HB ILE A 56 18.742 41.361 10.388 1.00 0.17 H new ATOM 0 HG12 ILE A 56 20.170 41.185 8.083 1.00 0.19 H new ATOM 0 HG13 ILE A 56 18.859 42.187 7.492 1.00 0.19 H new ATOM 0 HG21 ILE A 56 19.418 39.276 9.221 1.00 0.17 H new ATOM 0 HG22 ILE A 56 17.728 39.180 9.773 1.00 0.17 H new ATOM 0 HG23 ILE A 56 18.088 39.496 8.059 1.00 0.17 H new ATOM 0 HD11 ILE A 56 20.707 43.590 8.370 1.00 0.22 H new ATOM 0 HD12 ILE A 56 19.240 43.807 9.354 1.00 0.22 H new ATOM 0 HD13 ILE A 56 20.571 42.790 9.954 1.00 0.22 H new ATOM 905 N GLN A 57 15.955 40.735 11.134 1.00 0.17 N ATOM 906 CA GLN A 57 14.949 39.851 11.795 1.00 0.17 C ATOM 907 C GLN A 57 13.569 40.309 11.355 1.00 0.17 C ATOM 908 O GLN A 57 12.715 39.516 11.014 1.00 0.18 O ATOM 909 CB GLN A 57 15.057 39.964 13.315 1.00 0.20 C ATOM 910 CG GLN A 57 16.529 40.099 13.718 1.00 0.22 C ATOM 911 CD GLN A 57 16.791 39.311 15.005 1.00 0.27 C ATOM 912 OE1 GLN A 57 17.101 38.136 14.960 1.00 0.32 O ATOM 913 NE2 GLN A 57 16.677 39.910 16.158 1.00 0.46 N ATOM 0 H GLN A 57 16.583 41.236 11.763 1.00 0.17 H new ATOM 0 HA GLN A 57 15.125 38.813 11.513 1.00 0.17 H new ATOM 0 HB2 GLN A 57 14.493 40.828 13.666 1.00 0.20 H new ATOM 0 HB3 GLN A 57 14.620 39.084 13.787 1.00 0.20 H new ATOM 0 HG2 GLN A 57 17.170 39.729 12.918 1.00 0.22 H new ATOM 0 HG3 GLN A 57 16.780 41.149 13.867 1.00 0.22 H new ATOM 0 HE21 GLN A 57 16.417 40.896 16.197 1.00 0.46 H new ATOM 0 HE22 GLN A 57 16.848 39.393 17.020 1.00 0.46 H new ATOM 922 N ASP A 58 13.357 41.593 11.326 1.00 0.19 N ATOM 923 CA ASP A 58 12.046 42.102 10.866 1.00 0.20 C ATOM 924 C ASP A 58 11.811 41.542 9.466 1.00 0.20 C ATOM 925 O ASP A 58 10.698 41.247 9.076 1.00 0.22 O ATOM 926 CB ASP A 58 12.076 43.635 10.823 1.00 0.24 C ATOM 927 CG ASP A 58 11.768 44.201 12.213 1.00 0.26 C ATOM 928 OD1 ASP A 58 12.587 44.029 13.100 1.00 1.12 O ATOM 929 OD2 ASP A 58 10.715 44.799 12.365 1.00 1.10 O ATOM 0 H ASP A 58 14.033 42.306 11.600 1.00 0.19 H new ATOM 0 HA ASP A 58 11.247 41.795 11.541 1.00 0.20 H new ATOM 0 HB2 ASP A 58 13.055 43.979 10.489 1.00 0.24 H new ATOM 0 HB3 ASP A 58 11.346 44.002 10.101 1.00 0.24 H new ATOM 934 N TYR A 59 12.866 41.369 8.717 1.00 0.21 N ATOM 935 CA TYR A 59 12.722 40.796 7.350 1.00 0.23 C ATOM 936 C TYR A 59 12.564 39.277 7.460 1.00 0.22 C ATOM 937 O TYR A 59 11.648 38.699 6.908 1.00 0.25 O ATOM 938 CB TYR A 59 13.953 41.126 6.504 1.00 0.26 C ATOM 939 CG TYR A 59 13.676 40.739 5.073 1.00 0.43 C ATOM 940 CD1 TYR A 59 13.896 39.424 4.655 1.00 0.23 C ATOM 941 CD2 TYR A 59 13.191 41.691 4.167 1.00 1.00 C ATOM 942 CE1 TYR A 59 13.634 39.057 3.332 1.00 0.32 C ATOM 943 CE2 TYR A 59 12.925 41.323 2.843 1.00 1.21 C ATOM 944 CZ TYR A 59 13.149 40.005 2.425 1.00 0.84 C ATOM 945 OH TYR A 59 12.886 39.641 1.121 1.00 1.05 O ATOM 0 H TYR A 59 13.820 41.600 8.993 1.00 0.21 H new ATOM 0 HA TYR A 59 11.844 41.227 6.869 1.00 0.23 H new ATOM 0 HB2 TYR A 59 14.182 42.190 6.570 1.00 0.26 H new ATOM 0 HB3 TYR A 59 14.824 40.588 6.879 1.00 0.26 H new ATOM 0 HD1 TYR A 59 14.269 38.691 5.355 1.00 0.23 H new ATOM 0 HD2 TYR A 59 13.023 42.708 4.490 1.00 1.00 H new ATOM 0 HE1 TYR A 59 13.806 38.041 3.010 1.00 0.32 H new ATOM 0 HE2 TYR A 59 12.547 42.055 2.144 1.00 1.21 H new ATOM 0 HH TYR A 59 12.555 40.418 0.625 1.00 1.05 H new ATOM 955 N LEU A 60 13.442 38.620 8.178 1.00 0.21 N ATOM 956 CA LEU A 60 13.317 37.141 8.321 1.00 0.22 C ATOM 957 C LEU A 60 11.919 36.829 8.845 1.00 0.21 C ATOM 958 O LEU A 60 11.362 35.780 8.594 1.00 0.25 O ATOM 959 CB LEU A 60 14.357 36.608 9.317 1.00 0.22 C ATOM 960 CG LEU A 60 15.774 37.020 8.896 1.00 0.22 C ATOM 961 CD1 LEU A 60 16.749 36.691 10.029 1.00 0.25 C ATOM 962 CD2 LEU A 60 16.194 36.250 7.642 1.00 0.23 C ATOM 0 H LEU A 60 14.232 39.042 8.666 1.00 0.21 H new ATOM 0 HA LEU A 60 13.485 36.666 7.354 1.00 0.22 H new ATOM 0 HB2 LEU A 60 14.143 36.992 10.314 1.00 0.22 H new ATOM 0 HB3 LEU A 60 14.291 35.521 9.373 1.00 0.22 H new ATOM 0 HG LEU A 60 15.787 38.089 8.685 1.00 0.22 H new ATOM 0 HD11 LEU A 60 17.758 36.981 9.736 1.00 0.25 H new ATOM 0 HD12 LEU A 60 16.460 37.237 10.927 1.00 0.25 H new ATOM 0 HD13 LEU A 60 16.724 35.620 10.231 1.00 0.25 H new ATOM 0 HD21 LEU A 60 17.201 36.550 7.351 1.00 0.23 H new ATOM 0 HD22 LEU A 60 16.179 35.180 7.850 1.00 0.23 H new ATOM 0 HD23 LEU A 60 15.501 36.471 6.830 1.00 0.23 H new ATOM 974 N GLN A 61 11.350 37.745 9.572 1.00 0.19 N ATOM 975 CA GLN A 61 9.986 37.532 10.121 1.00 0.20 C ATOM 976 C GLN A 61 8.980 37.394 8.967 1.00 0.23 C ATOM 977 O GLN A 61 8.260 36.421 8.870 1.00 0.29 O ATOM 978 CB GLN A 61 9.624 38.746 10.983 1.00 0.19 C ATOM 979 CG GLN A 61 8.179 38.642 11.477 1.00 0.32 C ATOM 980 CD GLN A 61 8.065 37.569 12.562 1.00 0.59 C ATOM 981 OE1 GLN A 61 8.805 36.608 12.571 1.00 1.36 O ATOM 982 NE2 GLN A 61 7.158 37.700 13.488 1.00 1.25 N ATOM 0 H GLN A 61 11.776 38.641 9.812 1.00 0.19 H new ATOM 0 HA GLN A 61 9.957 36.622 10.721 1.00 0.20 H new ATOM 0 HB2 GLN A 61 10.302 38.810 11.834 1.00 0.19 H new ATOM 0 HB3 GLN A 61 9.752 39.661 10.405 1.00 0.19 H new ATOM 0 HG2 GLN A 61 7.852 39.604 11.872 1.00 0.32 H new ATOM 0 HG3 GLN A 61 7.519 38.398 10.644 1.00 0.32 H new ATOM 0 HE21 GLN A 61 6.535 38.508 13.481 1.00 1.25 H new ATOM 0 HE22 GLN A 61 7.071 36.995 14.220 1.00 1.25 H new ATOM 991 N GLN A 62 8.920 38.377 8.104 1.00 0.22 N ATOM 992 CA GLN A 62 7.955 38.337 6.958 1.00 0.28 C ATOM 993 C GLN A 62 8.368 37.270 5.937 1.00 0.31 C ATOM 994 O GLN A 62 7.535 36.600 5.360 1.00 0.43 O ATOM 995 CB GLN A 62 7.934 39.715 6.289 1.00 0.28 C ATOM 996 CG GLN A 62 6.765 39.803 5.301 1.00 0.80 C ATOM 997 CD GLN A 62 6.506 41.267 4.935 1.00 1.50 C ATOM 998 OE1 GLN A 62 6.356 42.108 5.802 1.00 2.26 O ATOM 999 NE2 GLN A 62 6.453 41.610 3.677 1.00 2.20 N ATOM 0 H GLN A 62 9.503 39.213 8.143 1.00 0.22 H new ATOM 0 HA GLN A 62 6.963 38.083 7.331 1.00 0.28 H new ATOM 0 HB2 GLN A 62 7.840 40.494 7.046 1.00 0.28 H new ATOM 0 HB3 GLN A 62 8.875 39.889 5.767 1.00 0.28 H new ATOM 0 HG2 GLN A 62 6.992 39.228 4.403 1.00 0.80 H new ATOM 0 HG3 GLN A 62 5.870 39.365 5.742 1.00 0.80 H new ATOM 0 HE21 GLN A 62 6.579 40.905 2.950 1.00 2.20 H new ATOM 0 HE22 GLN A 62 6.286 42.583 3.420 1.00 2.20 H new ATOM 1008 N LEU A 63 9.640 37.115 5.699 1.00 0.31 N ATOM 1009 CA LEU A 63 10.095 36.100 4.703 1.00 0.38 C ATOM 1010 C LEU A 63 9.742 34.690 5.187 1.00 0.31 C ATOM 1011 O LEU A 63 9.328 33.849 4.414 1.00 0.34 O ATOM 1012 CB LEU A 63 11.609 36.219 4.513 1.00 0.48 C ATOM 1013 CG LEU A 63 12.072 35.241 3.418 1.00 0.58 C ATOM 1014 CD1 LEU A 63 12.043 35.929 2.046 1.00 0.75 C ATOM 1015 CD2 LEU A 63 13.498 34.764 3.716 1.00 0.93 C ATOM 0 H LEU A 63 10.385 37.646 6.150 1.00 0.31 H new ATOM 0 HA LEU A 63 9.593 36.280 3.753 1.00 0.38 H new ATOM 0 HB2 LEU A 63 11.872 37.240 4.237 1.00 0.48 H new ATOM 0 HB3 LEU A 63 12.121 36.000 5.450 1.00 0.48 H new ATOM 0 HG LEU A 63 11.396 34.386 3.405 1.00 0.58 H new ATOM 0 HD11 LEU A 63 12.373 35.227 1.280 1.00 0.75 H new ATOM 0 HD12 LEU A 63 11.027 36.257 1.825 1.00 0.75 H new ATOM 0 HD13 LEU A 63 12.709 36.792 2.058 1.00 0.75 H new ATOM 0 HD21 LEU A 63 13.820 34.072 2.938 1.00 0.93 H new ATOM 0 HD22 LEU A 63 14.171 35.621 3.741 1.00 0.93 H new ATOM 0 HD23 LEU A 63 13.518 34.259 4.682 1.00 0.93 H new ATOM 1027 N THR A 64 9.905 34.425 6.452 1.00 0.32 N ATOM 1028 CA THR A 64 9.582 33.065 6.987 1.00 0.36 C ATOM 1029 C THR A 64 8.384 33.165 7.926 1.00 0.34 C ATOM 1030 O THR A 64 7.297 32.717 7.618 1.00 0.39 O ATOM 1031 CB THR A 64 10.787 32.513 7.760 1.00 0.47 C ATOM 1032 OG1 THR A 64 10.749 32.986 9.101 1.00 0.71 O ATOM 1033 CG2 THR A 64 12.084 32.975 7.093 1.00 0.36 C ATOM 0 H THR A 64 10.249 35.091 7.144 1.00 0.32 H new ATOM 0 HA THR A 64 9.347 32.397 6.158 1.00 0.36 H new ATOM 0 HB THR A 64 10.748 31.424 7.757 1.00 0.47 H new ATOM 0 HG1 THR A 64 11.622 33.363 9.340 1.00 0.71 H new ATOM 0 HG21 THR A 64 12.937 32.581 7.645 1.00 0.36 H new ATOM 0 HG22 THR A 64 12.116 32.609 6.067 1.00 0.36 H new ATOM 0 HG23 THR A 64 12.124 34.064 7.092 1.00 0.36 H new ATOM 1041 N GLY A 65 8.576 33.751 9.073 1.00 0.32 N ATOM 1042 CA GLY A 65 7.457 33.887 10.042 1.00 0.33 C ATOM 1043 C GLY A 65 8.022 34.005 11.457 1.00 0.29 C ATOM 1044 O GLY A 65 7.494 34.717 12.286 1.00 0.33 O ATOM 0 H GLY A 65 9.465 34.144 9.382 1.00 0.32 H new ATOM 0 HA2 GLY A 65 6.859 34.766 9.803 1.00 0.33 H new ATOM 0 HA3 GLY A 65 6.795 33.024 9.974 1.00 0.33 H new ATOM 1048 N ALA A 66 9.090 33.305 11.743 1.00 0.28 N ATOM 1049 CA ALA A 66 9.690 33.373 13.106 1.00 0.27 C ATOM 1050 C ALA A 66 10.928 34.269 13.096 1.00 0.24 C ATOM 1051 O ALA A 66 11.824 34.096 12.293 1.00 0.28 O ATOM 1052 CB ALA A 66 10.081 31.962 13.559 1.00 0.36 C ATOM 0 H ALA A 66 9.572 32.689 11.089 1.00 0.28 H new ATOM 0 HA ALA A 66 8.958 33.793 13.796 1.00 0.27 H new ATOM 0 HB1 ALA A 66 10.520 32.008 14.556 1.00 0.36 H new ATOM 0 HB2 ALA A 66 9.194 31.329 13.582 1.00 0.36 H new ATOM 0 HB3 ALA A 66 10.807 31.544 12.862 1.00 0.36 H new ATOM 1058 N ARG A 67 11.007 35.197 14.008 1.00 0.26 N ATOM 1059 CA ARG A 67 12.205 36.070 14.080 1.00 0.26 C ATOM 1060 C ARG A 67 13.133 35.492 15.146 1.00 0.23 C ATOM 1061 O ARG A 67 13.921 36.189 15.753 1.00 0.28 O ATOM 1062 CB ARG A 67 11.789 37.494 14.464 1.00 0.34 C ATOM 1063 CG ARG A 67 10.867 37.471 15.698 1.00 0.48 C ATOM 1064 CD ARG A 67 11.520 38.233 16.858 1.00 0.44 C ATOM 1065 NE ARG A 67 11.725 39.659 16.472 1.00 0.71 N ATOM 1066 CZ ARG A 67 11.962 40.559 17.389 1.00 1.27 C ATOM 1067 NH1 ARG A 67 12.005 40.216 18.647 1.00 1.63 N ATOM 1068 NH2 ARG A 67 12.151 41.804 17.046 1.00 1.57 N ATOM 0 H ARG A 67 10.290 35.387 14.708 1.00 0.26 H new ATOM 0 HA ARG A 67 12.710 36.110 13.115 1.00 0.26 H new ATOM 0 HB2 ARG A 67 12.674 38.094 14.675 1.00 0.34 H new ATOM 0 HB3 ARG A 67 11.275 37.968 13.627 1.00 0.34 H new ATOM 0 HG2 ARG A 67 9.906 37.922 15.452 1.00 0.48 H new ATOM 0 HG3 ARG A 67 10.669 36.441 15.995 1.00 0.48 H new ATOM 0 HD2 ARG A 67 10.890 38.174 17.745 1.00 0.44 H new ATOM 0 HD3 ARG A 67 12.475 37.775 17.115 1.00 0.44 H new ATOM 0 HE ARG A 67 11.680 39.932 15.490 1.00 0.71 H new ATOM 0 HH11 ARG A 67 11.853 39.244 18.916 1.00 1.63 H new ATOM 0 HH12 ARG A 67 12.190 40.920 19.362 1.00 1.63 H new ATOM 0 HH21 ARG A 67 12.114 42.073 16.063 1.00 1.57 H new ATOM 0 HH22 ARG A 67 12.336 42.508 17.761 1.00 1.57 H new ATOM 1082 N THR A 68 13.022 34.213 15.385 1.00 0.21 N ATOM 1083 CA THR A 68 13.869 33.563 16.422 1.00 0.20 C ATOM 1084 C THR A 68 15.267 33.286 15.860 1.00 0.18 C ATOM 1085 O THR A 68 15.504 33.368 14.672 1.00 0.22 O ATOM 1086 CB THR A 68 13.215 32.232 16.843 1.00 0.26 C ATOM 1087 OG1 THR A 68 11.993 32.068 16.137 1.00 0.33 O ATOM 1088 CG2 THR A 68 12.933 32.216 18.352 1.00 0.28 C ATOM 0 H THR A 68 12.376 33.588 14.902 1.00 0.21 H new ATOM 0 HA THR A 68 13.957 34.225 17.283 1.00 0.20 H new ATOM 0 HB THR A 68 13.900 31.417 16.608 1.00 0.26 H new ATOM 0 HG1 THR A 68 11.574 31.222 16.400 1.00 0.33 H new ATOM 0 HG21 THR A 68 12.472 31.267 18.626 1.00 0.28 H new ATOM 0 HG22 THR A 68 13.869 32.336 18.898 1.00 0.28 H new ATOM 0 HG23 THR A 68 12.258 33.034 18.605 1.00 0.28 H new ATOM 1096 N VAL A 69 16.185 32.947 16.723 1.00 0.16 N ATOM 1097 CA VAL A 69 17.579 32.643 16.291 1.00 0.17 C ATOM 1098 C VAL A 69 17.847 31.164 16.608 1.00 0.16 C ATOM 1099 O VAL A 69 17.483 30.713 17.669 1.00 0.16 O ATOM 1100 CB VAL A 69 18.555 33.515 17.104 1.00 0.18 C ATOM 1101 CG1 VAL A 69 19.945 33.471 16.474 1.00 0.23 C ATOM 1102 CG2 VAL A 69 18.062 34.972 17.153 1.00 0.21 C ATOM 0 H VAL A 69 16.025 32.866 17.727 1.00 0.16 H new ATOM 0 HA VAL A 69 17.711 32.843 15.228 1.00 0.17 H new ATOM 0 HB VAL A 69 18.603 33.122 18.119 1.00 0.18 H new ATOM 0 HG11 VAL A 69 20.628 34.090 17.056 1.00 0.23 H new ATOM 0 HG12 VAL A 69 20.307 32.443 16.463 1.00 0.23 H new ATOM 0 HG13 VAL A 69 19.894 33.848 15.453 1.00 0.23 H new ATOM 0 HG21 VAL A 69 18.763 35.574 17.731 1.00 0.21 H new ATOM 0 HG22 VAL A 69 17.994 35.367 16.140 1.00 0.21 H new ATOM 0 HG23 VAL A 69 17.079 35.008 17.623 1.00 0.21 H new ATOM 1112 N PRO A 70 18.471 30.433 15.713 1.00 0.16 N ATOM 1113 CA PRO A 70 18.946 30.917 14.398 1.00 0.18 C ATOM 1114 C PRO A 70 17.806 31.016 13.381 1.00 0.17 C ATOM 1115 O PRO A 70 16.637 30.946 13.701 1.00 0.20 O ATOM 1116 CB PRO A 70 19.916 29.818 13.930 1.00 0.21 C ATOM 1117 CG PRO A 70 19.657 28.570 14.808 1.00 0.22 C ATOM 1118 CD PRO A 70 18.775 29.017 15.983 1.00 0.17 C ATOM 0 HA PRO A 70 19.389 31.910 14.479 1.00 0.18 H new ATOM 0 HB2 PRO A 70 19.755 29.587 12.877 1.00 0.21 H new ATOM 0 HB3 PRO A 70 20.949 30.150 14.029 1.00 0.21 H new ATOM 0 HG2 PRO A 70 19.162 27.789 14.231 1.00 0.22 H new ATOM 0 HG3 PRO A 70 20.597 28.152 15.169 1.00 0.22 H new ATOM 0 HD2 PRO A 70 17.864 28.422 16.042 1.00 0.17 H new ATOM 0 HD3 PRO A 70 19.294 28.899 16.934 1.00 0.17 H new ATOM 1126 N ARG A 71 18.184 31.136 12.142 1.00 0.18 N ATOM 1127 CA ARG A 71 17.213 31.199 11.021 1.00 0.19 C ATOM 1128 C ARG A 71 17.906 30.508 9.841 1.00 0.15 C ATOM 1129 O ARG A 71 18.656 31.114 9.100 1.00 0.17 O ATOM 1130 CB ARG A 71 16.904 32.667 10.682 1.00 0.26 C ATOM 1131 CG ARG A 71 15.498 33.079 11.165 1.00 0.74 C ATOM 1132 CD ARG A 71 14.409 32.128 10.635 1.00 0.60 C ATOM 1133 NE ARG A 71 13.876 31.319 11.769 1.00 0.49 N ATOM 1134 CZ ARG A 71 12.720 30.725 11.677 1.00 1.14 C ATOM 1135 NH1 ARG A 71 11.973 30.909 10.623 1.00 2.18 N ATOM 1136 NH2 ARG A 71 12.297 29.978 12.657 1.00 1.29 N ATOM 0 H ARG A 71 19.160 31.195 11.852 1.00 0.18 H new ATOM 0 HA ARG A 71 16.267 30.717 11.267 1.00 0.19 H new ATOM 0 HB2 ARG A 71 17.651 33.312 11.144 1.00 0.26 H new ATOM 0 HB3 ARG A 71 16.977 32.815 9.605 1.00 0.26 H new ATOM 0 HG2 ARG A 71 15.476 33.086 12.255 1.00 0.74 H new ATOM 0 HG3 ARG A 71 15.284 34.096 10.836 1.00 0.74 H new ATOM 0 HD2 ARG A 71 13.605 32.698 10.169 1.00 0.60 H new ATOM 0 HD3 ARG A 71 14.822 31.474 9.867 1.00 0.60 H new ATOM 0 HE ARG A 71 14.422 31.230 12.626 1.00 0.49 H new ATOM 0 HH11 ARG A 71 12.294 31.518 9.870 1.00 2.18 H new ATOM 0 HH12 ARG A 71 11.068 30.444 10.552 1.00 2.18 H new ATOM 0 HH21 ARG A 71 12.870 29.860 13.492 1.00 1.29 H new ATOM 0 HH22 ARG A 71 11.393 29.511 12.589 1.00 1.29 H new ATOM 1150 N VAL A 72 17.712 29.226 9.710 1.00 0.12 N ATOM 1151 CA VAL A 72 18.408 28.459 8.638 1.00 0.10 C ATOM 1152 C VAL A 72 17.654 28.545 7.312 1.00 0.10 C ATOM 1153 O VAL A 72 16.450 28.709 7.270 1.00 0.12 O ATOM 1154 CB VAL A 72 18.508 27.001 9.096 1.00 0.11 C ATOM 1155 CG1 VAL A 72 19.381 26.186 8.126 1.00 0.12 C ATOM 1156 CG2 VAL A 72 19.127 26.975 10.497 1.00 0.12 C ATOM 0 H VAL A 72 17.096 28.671 10.304 1.00 0.12 H new ATOM 0 HA VAL A 72 19.399 28.881 8.472 1.00 0.10 H new ATOM 0 HB VAL A 72 17.513 26.556 9.112 1.00 0.11 H new ATOM 0 HG11 VAL A 72 19.439 25.153 8.469 1.00 0.12 H new ATOM 0 HG12 VAL A 72 18.940 26.213 7.130 1.00 0.12 H new ATOM 0 HG13 VAL A 72 20.383 26.614 8.091 1.00 0.12 H new ATOM 0 HG21 VAL A 72 19.206 25.944 10.841 1.00 0.12 H new ATOM 0 HG22 VAL A 72 20.120 27.424 10.465 1.00 0.12 H new ATOM 0 HG23 VAL A 72 18.496 27.539 11.184 1.00 0.12 H new ATOM 1166 N PHE A 73 18.374 28.439 6.224 1.00 0.09 N ATOM 1167 CA PHE A 73 17.735 28.515 4.883 1.00 0.10 C ATOM 1168 C PHE A 73 18.395 27.525 3.925 1.00 0.10 C ATOM 1169 O PHE A 73 19.346 27.859 3.247 1.00 0.11 O ATOM 1170 CB PHE A 73 17.925 29.915 4.295 1.00 0.12 C ATOM 1171 CG PHE A 73 17.014 30.905 4.973 1.00 0.13 C ATOM 1172 CD1 PHE A 73 15.696 31.070 4.527 1.00 0.16 C ATOM 1173 CD2 PHE A 73 17.496 31.678 6.032 1.00 0.15 C ATOM 1174 CE1 PHE A 73 14.861 32.008 5.146 1.00 0.20 C ATOM 1175 CE2 PHE A 73 16.663 32.617 6.648 1.00 0.19 C ATOM 1176 CZ PHE A 73 15.346 32.782 6.206 1.00 0.20 C ATOM 0 H PHE A 73 19.385 28.302 6.211 1.00 0.09 H new ATOM 0 HA PHE A 73 16.676 28.283 5.001 1.00 0.10 H new ATOM 0 HB2 PHE A 73 18.963 30.227 4.414 1.00 0.12 H new ATOM 0 HB3 PHE A 73 17.718 29.897 3.225 1.00 0.12 H new ATOM 0 HD1 PHE A 73 15.325 30.474 3.706 1.00 0.16 H new ATOM 0 HD2 PHE A 73 18.512 31.550 6.375 1.00 0.15 H new ATOM 0 HE1 PHE A 73 13.844 32.134 4.806 1.00 0.20 H new ATOM 0 HE2 PHE A 73 17.037 33.215 7.466 1.00 0.19 H new ATOM 0 HZ PHE A 73 14.703 33.507 6.683 1.00 0.20 H new ATOM 1186 N ILE A 74 17.886 26.333 3.814 1.00 0.11 N ATOM 1187 CA ILE A 74 18.495 25.395 2.836 1.00 0.12 C ATOM 1188 C ILE A 74 18.102 25.922 1.466 1.00 0.13 C ATOM 1189 O ILE A 74 16.949 25.872 1.088 1.00 0.19 O ATOM 1190 CB ILE A 74 17.935 23.981 3.012 1.00 0.15 C ATOM 1191 CG1 ILE A 74 18.116 23.489 4.464 1.00 0.53 C ATOM 1192 CG2 ILE A 74 18.650 23.027 2.044 1.00 0.40 C ATOM 1193 CD1 ILE A 74 19.368 24.097 5.107 1.00 0.37 C ATOM 0 H ILE A 74 17.093 25.973 4.345 1.00 0.11 H new ATOM 0 HA ILE A 74 19.575 25.338 2.970 1.00 0.12 H new ATOM 0 HB ILE A 74 16.868 23.999 2.792 1.00 0.15 H new ATOM 0 HG12 ILE A 74 17.237 23.754 5.052 1.00 0.53 H new ATOM 0 HG13 ILE A 74 18.191 22.402 4.475 1.00 0.53 H new ATOM 0 HG21 ILE A 74 18.253 22.019 2.167 1.00 0.40 H new ATOM 0 HG22 ILE A 74 18.486 23.359 1.019 1.00 0.40 H new ATOM 0 HG23 ILE A 74 19.719 23.025 2.258 1.00 0.40 H new ATOM 0 HD11 ILE A 74 19.467 23.731 6.129 1.00 0.37 H new ATOM 0 HD12 ILE A 74 20.248 23.810 4.532 1.00 0.37 H new ATOM 0 HD13 ILE A 74 19.280 25.183 5.118 1.00 0.37 H new ATOM 1205 N GLY A 75 19.019 26.486 0.739 1.00 0.15 N ATOM 1206 CA GLY A 75 18.627 27.068 -0.568 1.00 0.18 C ATOM 1207 C GLY A 75 17.695 28.243 -0.259 1.00 0.14 C ATOM 1208 O GLY A 75 17.832 28.887 0.762 1.00 0.16 O ATOM 0 H GLY A 75 20.005 26.569 0.986 1.00 0.15 H new ATOM 0 HA2 GLY A 75 19.504 27.404 -1.122 1.00 0.18 H new ATOM 0 HA3 GLY A 75 18.123 26.326 -1.188 1.00 0.18 H new ATOM 1212 N LYS A 76 16.738 28.526 -1.097 1.00 0.15 N ATOM 1213 CA LYS A 76 15.812 29.654 -0.784 1.00 0.18 C ATOM 1214 C LYS A 76 14.665 29.141 0.095 1.00 0.19 C ATOM 1215 O LYS A 76 13.825 29.897 0.539 1.00 0.23 O ATOM 1216 CB LYS A 76 15.235 30.242 -2.079 1.00 0.23 C ATOM 1217 CG LYS A 76 16.371 30.725 -2.999 1.00 0.25 C ATOM 1218 CD LYS A 76 16.173 32.209 -3.349 1.00 0.54 C ATOM 1219 CE LYS A 76 15.082 32.338 -4.414 1.00 1.23 C ATOM 1220 NZ LYS A 76 15.002 33.749 -4.880 1.00 1.88 N ATOM 0 H LYS A 76 16.556 28.035 -1.972 1.00 0.15 H new ATOM 0 HA LYS A 76 16.365 30.431 -0.256 1.00 0.18 H new ATOM 0 HB2 LYS A 76 14.637 29.490 -2.593 1.00 0.23 H new ATOM 0 HB3 LYS A 76 14.570 31.073 -1.844 1.00 0.23 H new ATOM 0 HG2 LYS A 76 17.333 30.585 -2.506 1.00 0.25 H new ATOM 0 HG3 LYS A 76 16.390 30.128 -3.911 1.00 0.25 H new ATOM 0 HD2 LYS A 76 15.894 32.770 -2.457 1.00 0.54 H new ATOM 0 HD3 LYS A 76 17.107 32.635 -3.715 1.00 0.54 H new ATOM 0 HE2 LYS A 76 15.301 31.679 -5.254 1.00 1.23 H new ATOM 0 HE3 LYS A 76 14.122 32.025 -4.005 1.00 1.23 H new ATOM 0 HZ1 LYS A 76 14.260 33.834 -5.604 1.00 1.88 H new ATOM 0 HZ2 LYS A 76 14.774 34.368 -4.076 1.00 1.88 H new ATOM 0 HZ3 LYS A 76 15.916 34.033 -5.287 1.00 1.88 H new ATOM 1234 N ASP A 77 14.614 27.856 0.338 1.00 0.19 N ATOM 1235 CA ASP A 77 13.510 27.290 1.173 1.00 0.24 C ATOM 1236 C ASP A 77 13.893 27.298 2.659 1.00 0.19 C ATOM 1237 O ASP A 77 14.831 26.647 3.075 1.00 0.18 O ATOM 1238 CB ASP A 77 13.230 25.857 0.725 1.00 0.33 C ATOM 1239 CG ASP A 77 13.068 25.826 -0.796 1.00 0.50 C ATOM 1240 OD1 ASP A 77 12.005 26.200 -1.265 1.00 1.20 O ATOM 1241 OD2 ASP A 77 14.008 25.431 -1.464 1.00 1.26 O ATOM 0 H ASP A 77 15.289 27.173 -0.006 1.00 0.19 H new ATOM 0 HA ASP A 77 12.619 27.904 1.044 1.00 0.24 H new ATOM 0 HB2 ASP A 77 14.047 25.203 1.029 1.00 0.33 H new ATOM 0 HB3 ASP A 77 12.326 25.483 1.206 1.00 0.33 H new ATOM 1246 N SER A 78 13.163 28.030 3.461 1.00 0.18 N ATOM 1247 CA SER A 78 13.463 28.087 4.922 1.00 0.16 C ATOM 1248 C SER A 78 13.024 26.787 5.600 1.00 0.15 C ATOM 1249 O SER A 78 12.093 26.138 5.167 1.00 0.19 O ATOM 1250 CB SER A 78 12.702 29.253 5.548 1.00 0.18 C ATOM 1251 OG SER A 78 13.049 29.359 6.923 1.00 0.28 O ATOM 0 H SER A 78 12.367 28.594 3.164 1.00 0.18 H new ATOM 0 HA SER A 78 14.536 28.222 5.059 1.00 0.16 H new ATOM 0 HB2 SER A 78 12.943 30.180 5.028 1.00 0.18 H new ATOM 0 HB3 SER A 78 11.628 29.099 5.443 1.00 0.18 H new ATOM 0 HG SER A 78 12.563 30.108 7.326 1.00 0.28 H new ATOM 1257 N ILE A 79 13.673 26.412 6.676 1.00 0.15 N ATOM 1258 CA ILE A 79 13.272 25.163 7.394 1.00 0.15 C ATOM 1259 C ILE A 79 12.833 25.514 8.816 1.00 0.17 C ATOM 1260 O ILE A 79 12.141 24.754 9.464 1.00 0.25 O ATOM 1261 CB ILE A 79 14.446 24.184 7.456 1.00 0.17 C ATOM 1262 CG1 ILE A 79 15.690 24.879 8.045 1.00 0.18 C ATOM 1263 CG2 ILE A 79 14.750 23.673 6.046 1.00 0.25 C ATOM 1264 CD1 ILE A 79 16.273 24.020 9.173 1.00 0.51 C ATOM 0 H ILE A 79 14.460 26.915 7.086 1.00 0.15 H new ATOM 0 HA ILE A 79 12.448 24.695 6.854 1.00 0.15 H new ATOM 0 HB ILE A 79 14.182 23.345 8.099 1.00 0.17 H new ATOM 0 HG12 ILE A 79 16.437 25.030 7.266 1.00 0.18 H new ATOM 0 HG13 ILE A 79 15.422 25.865 8.426 1.00 0.18 H new ATOM 0 HG21 ILE A 79 15.586 22.975 6.084 1.00 0.25 H new ATOM 0 HG22 ILE A 79 13.872 23.166 5.646 1.00 0.25 H new ATOM 0 HG23 ILE A 79 15.009 24.514 5.402 1.00 0.25 H new ATOM 0 HD11 ILE A 79 17.152 24.513 9.588 1.00 0.51 H new ATOM 0 HD12 ILE A 79 15.526 23.891 9.956 1.00 0.51 H new ATOM 0 HD13 ILE A 79 16.556 23.044 8.778 1.00 0.51 H new ATOM 1276 N GLY A 80 13.222 26.663 9.306 1.00 0.15 N ATOM 1277 CA GLY A 80 12.816 27.065 10.686 1.00 0.19 C ATOM 1278 C GLY A 80 14.033 27.561 11.471 1.00 0.19 C ATOM 1279 O GLY A 80 14.968 28.101 10.913 1.00 0.31 O ATOM 0 H GLY A 80 13.803 27.340 8.811 1.00 0.15 H new ATOM 0 HA2 GLY A 80 12.061 27.850 10.637 1.00 0.19 H new ATOM 0 HA3 GLY A 80 12.362 26.218 11.201 1.00 0.19 H new ATOM 1283 N GLY A 81 14.019 27.389 12.768 1.00 0.22 N ATOM 1284 CA GLY A 81 15.162 27.856 13.609 1.00 0.22 C ATOM 1285 C GLY A 81 16.026 26.671 14.036 1.00 0.17 C ATOM 1286 O GLY A 81 16.259 25.750 13.278 1.00 0.18 O ATOM 0 H GLY A 81 13.260 26.943 13.283 1.00 0.22 H new ATOM 0 HA2 GLY A 81 15.765 28.571 13.050 1.00 0.22 H new ATOM 0 HA3 GLY A 81 14.785 28.376 14.490 1.00 0.22 H new ATOM 1290 N SER A 82 16.516 26.701 15.243 1.00 0.15 N ATOM 1291 CA SER A 82 17.385 25.595 15.732 1.00 0.14 C ATOM 1292 C SER A 82 16.554 24.336 15.973 1.00 0.14 C ATOM 1293 O SER A 82 16.777 23.307 15.369 1.00 0.15 O ATOM 1294 CB SER A 82 18.053 26.023 17.039 1.00 0.17 C ATOM 1295 OG SER A 82 18.219 24.888 17.878 1.00 0.68 O ATOM 0 H SER A 82 16.351 27.449 15.916 1.00 0.15 H new ATOM 0 HA SER A 82 18.144 25.377 14.980 1.00 0.14 H new ATOM 0 HB2 SER A 82 19.020 26.481 16.833 1.00 0.17 H new ATOM 0 HB3 SER A 82 17.445 26.775 17.542 1.00 0.17 H new ATOM 0 HG SER A 82 18.648 25.160 18.716 1.00 0.68 H new ATOM 1301 N SER A 83 15.605 24.411 16.858 1.00 0.17 N ATOM 1302 CA SER A 83 14.761 23.217 17.156 1.00 0.19 C ATOM 1303 C SER A 83 14.167 22.673 15.860 1.00 0.18 C ATOM 1304 O SER A 83 13.885 21.498 15.737 1.00 0.20 O ATOM 1305 CB SER A 83 13.636 23.614 18.112 1.00 0.24 C ATOM 1306 OG SER A 83 12.567 22.685 17.992 1.00 0.33 O ATOM 0 H SER A 83 15.374 25.249 17.392 1.00 0.17 H new ATOM 0 HA SER A 83 15.375 22.445 17.621 1.00 0.19 H new ATOM 0 HB2 SER A 83 14.004 23.631 19.138 1.00 0.24 H new ATOM 0 HB3 SER A 83 13.286 24.620 17.882 1.00 0.24 H new ATOM 0 HG SER A 83 11.845 22.936 18.605 1.00 0.33 H new ATOM 1312 N ASP A 84 13.981 23.517 14.890 1.00 0.17 N ATOM 1313 CA ASP A 84 13.413 23.048 13.596 1.00 0.17 C ATOM 1314 C ASP A 84 14.476 22.243 12.846 1.00 0.14 C ATOM 1315 O ASP A 84 14.211 21.182 12.317 1.00 0.16 O ATOM 1316 CB ASP A 84 13.005 24.254 12.750 1.00 0.18 C ATOM 1317 CG ASP A 84 11.768 24.913 13.360 1.00 0.86 C ATOM 1318 OD1 ASP A 84 11.935 25.721 14.258 1.00 1.53 O ATOM 1319 OD2 ASP A 84 10.674 24.597 12.920 1.00 1.60 O ATOM 0 H ASP A 84 14.197 24.513 14.935 1.00 0.17 H new ATOM 0 HA ASP A 84 12.539 22.424 13.785 1.00 0.17 H new ATOM 0 HB2 ASP A 84 13.825 24.971 12.701 1.00 0.18 H new ATOM 0 HB3 ASP A 84 12.795 23.940 11.728 1.00 0.18 H new ATOM 1324 N LEU A 85 15.677 22.751 12.797 1.00 0.12 N ATOM 1325 CA LEU A 85 16.772 22.033 12.083 1.00 0.12 C ATOM 1326 C LEU A 85 16.930 20.628 12.661 1.00 0.13 C ATOM 1327 O LEU A 85 16.731 19.638 11.985 1.00 0.15 O ATOM 1328 CB LEU A 85 18.089 22.796 12.273 1.00 0.12 C ATOM 1329 CG LEU A 85 19.150 22.282 11.285 1.00 0.17 C ATOM 1330 CD1 LEU A 85 20.337 23.252 11.251 1.00 0.19 C ATOM 1331 CD2 LEU A 85 19.650 20.899 11.718 1.00 0.22 C ATOM 0 H LEU A 85 15.949 23.637 13.223 1.00 0.12 H new ATOM 0 HA LEU A 85 16.526 21.969 11.023 1.00 0.12 H new ATOM 0 HB2 LEU A 85 17.925 23.863 12.119 1.00 0.12 H new ATOM 0 HB3 LEU A 85 18.445 22.673 13.296 1.00 0.12 H new ATOM 0 HG LEU A 85 18.700 22.211 10.295 1.00 0.17 H new ATOM 0 HD11 LEU A 85 21.087 22.885 10.550 1.00 0.19 H new ATOM 0 HD12 LEU A 85 19.994 24.236 10.933 1.00 0.19 H new ATOM 0 HD13 LEU A 85 20.776 23.325 12.246 1.00 0.19 H new ATOM 0 HD21 LEU A 85 20.401 20.546 11.011 1.00 0.22 H new ATOM 0 HD22 LEU A 85 20.091 20.967 12.712 1.00 0.22 H new ATOM 0 HD23 LEU A 85 18.814 20.200 11.739 1.00 0.22 H new ATOM 1343 N VAL A 86 17.313 20.540 13.903 1.00 0.14 N ATOM 1344 CA VAL A 86 17.525 19.205 14.535 1.00 0.17 C ATOM 1345 C VAL A 86 16.362 18.273 14.197 1.00 0.18 C ATOM 1346 O VAL A 86 16.560 17.142 13.806 1.00 0.21 O ATOM 1347 CB VAL A 86 17.625 19.361 16.062 1.00 0.21 C ATOM 1348 CG1 VAL A 86 19.099 19.402 16.485 1.00 0.24 C ATOM 1349 CG2 VAL A 86 16.928 20.655 16.503 1.00 0.20 C ATOM 0 H VAL A 86 17.490 21.339 14.512 1.00 0.14 H new ATOM 0 HA VAL A 86 18.451 18.778 14.150 1.00 0.17 H new ATOM 0 HB VAL A 86 17.136 18.511 16.537 1.00 0.21 H new ATOM 0 HG11 VAL A 86 19.164 19.513 17.567 1.00 0.24 H new ATOM 0 HG12 VAL A 86 19.590 18.476 16.185 1.00 0.24 H new ATOM 0 HG13 VAL A 86 19.592 20.247 16.004 1.00 0.24 H new ATOM 0 HG21 VAL A 86 17.003 20.758 17.586 1.00 0.20 H new ATOM 0 HG22 VAL A 86 17.407 21.508 16.023 1.00 0.20 H new ATOM 0 HG23 VAL A 86 15.878 20.619 16.214 1.00 0.20 H new ATOM 1359 N SER A 87 15.154 18.727 14.341 1.00 0.18 N ATOM 1360 CA SER A 87 14.000 17.845 14.026 1.00 0.20 C ATOM 1361 C SER A 87 14.211 17.207 12.643 1.00 0.19 C ATOM 1362 O SER A 87 14.053 16.014 12.471 1.00 0.25 O ATOM 1363 CB SER A 87 12.712 18.681 14.029 1.00 0.22 C ATOM 1364 OG SER A 87 11.867 18.248 15.089 1.00 0.92 O ATOM 0 H SER A 87 14.914 19.665 14.661 1.00 0.18 H new ATOM 0 HA SER A 87 13.918 17.056 14.774 1.00 0.20 H new ATOM 0 HB2 SER A 87 12.952 19.737 14.149 1.00 0.22 H new ATOM 0 HB3 SER A 87 12.197 18.578 13.074 1.00 0.22 H new ATOM 0 HG SER A 87 11.046 18.783 15.092 1.00 0.92 H new ATOM 1370 N LEU A 88 14.554 17.995 11.658 1.00 0.16 N ATOM 1371 CA LEU A 88 14.763 17.446 10.283 1.00 0.15 C ATOM 1372 C LEU A 88 16.078 16.667 10.182 1.00 0.15 C ATOM 1373 O LEU A 88 16.187 15.730 9.415 1.00 0.18 O ATOM 1374 CB LEU A 88 14.792 18.588 9.266 1.00 0.15 C ATOM 1375 CG LEU A 88 13.601 19.527 9.489 1.00 0.17 C ATOM 1376 CD1 LEU A 88 13.880 20.859 8.793 1.00 0.19 C ATOM 1377 CD2 LEU A 88 12.319 18.909 8.906 1.00 0.20 C ATOM 0 H LEU A 88 14.699 19.001 11.746 1.00 0.16 H new ATOM 0 HA LEU A 88 13.936 16.768 10.072 1.00 0.15 H new ATOM 0 HB2 LEU A 88 15.725 19.144 9.359 1.00 0.15 H new ATOM 0 HB3 LEU A 88 14.761 18.184 8.254 1.00 0.15 H new ATOM 0 HG LEU A 88 13.464 19.683 10.559 1.00 0.17 H new ATOM 0 HD11 LEU A 88 13.037 21.533 8.947 1.00 0.19 H new ATOM 0 HD12 LEU A 88 14.783 21.305 9.210 1.00 0.19 H new ATOM 0 HD13 LEU A 88 14.019 20.689 7.725 1.00 0.19 H new ATOM 0 HD21 LEU A 88 11.481 19.586 9.071 1.00 0.20 H new ATOM 0 HD22 LEU A 88 12.448 18.745 7.836 1.00 0.20 H new ATOM 0 HD23 LEU A 88 12.118 17.957 9.397 1.00 0.20 H new ATOM 1389 N GLN A 89 17.086 17.043 10.916 1.00 0.15 N ATOM 1390 CA GLN A 89 18.375 16.305 10.807 1.00 0.17 C ATOM 1391 C GLN A 89 18.160 14.844 11.214 1.00 0.21 C ATOM 1392 O GLN A 89 18.386 13.935 10.439 1.00 0.24 O ATOM 1393 CB GLN A 89 19.426 16.949 11.723 1.00 0.19 C ATOM 1394 CG GLN A 89 20.844 16.563 11.267 1.00 0.30 C ATOM 1395 CD GLN A 89 20.850 15.148 10.678 1.00 1.00 C ATOM 1396 OE1 GLN A 89 21.049 14.184 11.390 1.00 2.06 O ATOM 1397 NE2 GLN A 89 20.637 14.982 9.400 1.00 0.90 N ATOM 0 H GLN A 89 17.076 17.819 11.578 1.00 0.15 H new ATOM 0 HA GLN A 89 18.729 16.348 9.777 1.00 0.17 H new ATOM 0 HB2 GLN A 89 19.315 18.033 11.708 1.00 0.19 H new ATOM 0 HB3 GLN A 89 19.268 16.626 12.752 1.00 0.19 H new ATOM 0 HG2 GLN A 89 21.200 17.275 10.522 1.00 0.30 H new ATOM 0 HG3 GLN A 89 21.531 16.615 12.112 1.00 0.30 H new ATOM 0 HE21 GLN A 89 20.470 15.791 8.802 1.00 0.90 H new ATOM 0 HE22 GLN A 89 20.638 14.043 9.001 1.00 0.90 H new ATOM 1406 N GLN A 90 17.735 14.610 12.426 1.00 0.23 N ATOM 1407 CA GLN A 90 17.518 13.208 12.893 1.00 0.28 C ATOM 1408 C GLN A 90 16.449 12.518 12.041 1.00 0.27 C ATOM 1409 O GLN A 90 16.419 11.309 11.928 1.00 0.30 O ATOM 1410 CB GLN A 90 17.073 13.221 14.364 1.00 0.31 C ATOM 1411 CG GLN A 90 16.365 14.543 14.687 1.00 0.50 C ATOM 1412 CD GLN A 90 15.404 14.348 15.862 1.00 1.67 C ATOM 1413 OE1 GLN A 90 14.304 13.860 15.690 1.00 2.46 O ATOM 1414 NE2 GLN A 90 15.775 14.713 17.058 1.00 2.44 N ATOM 0 H GLN A 90 17.528 15.332 13.116 1.00 0.23 H new ATOM 0 HA GLN A 90 18.453 12.657 12.795 1.00 0.28 H new ATOM 0 HB2 GLN A 90 16.403 12.383 14.557 1.00 0.31 H new ATOM 0 HB3 GLN A 90 17.938 13.094 15.015 1.00 0.31 H new ATOM 0 HG2 GLN A 90 17.101 15.309 14.932 1.00 0.50 H new ATOM 0 HG3 GLN A 90 15.817 14.895 13.813 1.00 0.50 H new ATOM 0 HE21 GLN A 90 16.698 15.123 17.203 1.00 2.44 H new ATOM 0 HE22 GLN A 90 15.142 14.589 17.848 1.00 2.44 H new ATOM 1423 N SER A 91 15.565 13.271 11.459 1.00 0.24 N ATOM 1424 CA SER A 91 14.485 12.652 10.633 1.00 0.24 C ATOM 1425 C SER A 91 15.011 12.277 9.242 1.00 0.28 C ATOM 1426 O SER A 91 14.491 11.388 8.596 1.00 0.58 O ATOM 1427 CB SER A 91 13.333 13.644 10.487 1.00 0.22 C ATOM 1428 OG SER A 91 12.854 14.000 11.777 1.00 0.27 O ATOM 0 H SER A 91 15.539 14.289 11.516 1.00 0.24 H new ATOM 0 HA SER A 91 14.140 11.745 11.130 1.00 0.24 H new ATOM 0 HB2 SER A 91 13.669 14.533 9.953 1.00 0.22 H new ATOM 0 HB3 SER A 91 12.530 13.202 9.897 1.00 0.22 H new ATOM 0 HG SER A 91 12.943 14.968 11.903 1.00 0.27 H new ATOM 1434 N GLY A 92 16.035 12.936 8.775 1.00 0.28 N ATOM 1435 CA GLY A 92 16.587 12.601 7.424 1.00 0.29 C ATOM 1436 C GLY A 92 15.972 13.517 6.362 1.00 0.26 C ATOM 1437 O GLY A 92 16.426 13.567 5.236 1.00 0.25 O ATOM 0 H GLY A 92 16.515 13.690 9.266 1.00 0.28 H new ATOM 0 HA2 GLY A 92 17.671 12.713 7.428 1.00 0.29 H new ATOM 0 HA3 GLY A 92 16.375 11.559 7.184 1.00 0.29 H new ATOM 1441 N GLU A 93 14.949 14.246 6.710 1.00 0.24 N ATOM 1442 CA GLU A 93 14.315 15.161 5.722 1.00 0.23 C ATOM 1443 C GLU A 93 15.301 16.291 5.400 1.00 0.20 C ATOM 1444 O GLU A 93 15.326 16.824 4.308 1.00 0.20 O ATOM 1445 CB GLU A 93 13.030 15.739 6.332 1.00 0.24 C ATOM 1446 CG GLU A 93 12.348 16.696 5.342 1.00 0.34 C ATOM 1447 CD GLU A 93 11.376 15.920 4.447 1.00 1.20 C ATOM 1448 OE1 GLU A 93 10.692 15.049 4.961 1.00 1.82 O ATOM 1449 OE2 GLU A 93 11.330 16.213 3.264 1.00 1.95 O ATOM 0 H GLU A 93 14.524 14.247 7.637 1.00 0.24 H new ATOM 0 HA GLU A 93 14.066 14.625 4.806 1.00 0.23 H new ATOM 0 HB2 GLU A 93 12.348 14.930 6.593 1.00 0.24 H new ATOM 0 HB3 GLU A 93 13.265 16.268 7.256 1.00 0.24 H new ATOM 0 HG2 GLU A 93 11.812 17.474 5.886 1.00 0.34 H new ATOM 0 HG3 GLU A 93 13.099 17.195 4.730 1.00 0.34 H new ATOM 1456 N LEU A 94 16.112 16.655 6.354 1.00 0.18 N ATOM 1457 CA LEU A 94 17.109 17.744 6.134 1.00 0.15 C ATOM 1458 C LEU A 94 18.044 17.392 4.982 1.00 0.14 C ATOM 1459 O LEU A 94 18.094 18.073 3.977 1.00 0.14 O ATOM 1460 CB LEU A 94 17.950 17.914 7.395 1.00 0.16 C ATOM 1461 CG LEU A 94 18.761 19.220 7.309 1.00 0.20 C ATOM 1462 CD1 LEU A 94 17.894 20.399 7.763 1.00 0.30 C ATOM 1463 CD2 LEU A 94 20.009 19.130 8.205 1.00 0.20 C ATOM 0 H LEU A 94 16.128 16.241 7.286 1.00 0.18 H new ATOM 0 HA LEU A 94 16.572 18.662 5.897 1.00 0.15 H new ATOM 0 HB2 LEU A 94 17.305 17.933 8.273 1.00 0.16 H new ATOM 0 HB3 LEU A 94 18.623 17.064 7.512 1.00 0.16 H new ATOM 0 HG LEU A 94 19.072 19.372 6.276 1.00 0.20 H new ATOM 0 HD11 LEU A 94 18.472 21.321 7.700 1.00 0.30 H new ATOM 0 HD12 LEU A 94 17.018 20.476 7.119 1.00 0.30 H new ATOM 0 HD13 LEU A 94 17.574 20.240 8.793 1.00 0.30 H new ATOM 0 HD21 LEU A 94 20.574 20.059 8.136 1.00 0.20 H new ATOM 0 HD22 LEU A 94 19.704 18.967 9.239 1.00 0.20 H new ATOM 0 HD23 LEU A 94 20.634 18.300 7.876 1.00 0.20 H new ATOM 1475 N LEU A 95 18.806 16.345 5.132 1.00 0.15 N ATOM 1476 CA LEU A 95 19.759 15.970 4.055 1.00 0.16 C ATOM 1477 C LEU A 95 18.985 15.820 2.760 1.00 0.17 C ATOM 1478 O LEU A 95 19.489 16.076 1.684 1.00 0.16 O ATOM 1479 CB LEU A 95 20.467 14.656 4.427 1.00 0.18 C ATOM 1480 CG LEU A 95 19.694 13.430 3.904 1.00 0.21 C ATOM 1481 CD1 LEU A 95 20.061 13.148 2.437 1.00 0.21 C ATOM 1482 CD2 LEU A 95 20.060 12.211 4.759 1.00 0.27 C ATOM 0 H LEU A 95 18.809 15.736 5.950 1.00 0.15 H new ATOM 0 HA LEU A 95 20.520 16.741 3.931 1.00 0.16 H new ATOM 0 HB2 LEU A 95 21.475 14.655 4.013 1.00 0.18 H new ATOM 0 HB3 LEU A 95 20.567 14.589 5.510 1.00 0.18 H new ATOM 0 HG LEU A 95 18.624 13.630 3.966 1.00 0.21 H new ATOM 0 HD11 LEU A 95 19.506 12.279 2.084 1.00 0.21 H new ATOM 0 HD12 LEU A 95 19.807 14.014 1.826 1.00 0.21 H new ATOM 0 HD13 LEU A 95 21.130 12.951 2.361 1.00 0.21 H new ATOM 0 HD21 LEU A 95 19.518 11.337 4.397 1.00 0.27 H new ATOM 0 HD22 LEU A 95 21.132 12.027 4.690 1.00 0.27 H new ATOM 0 HD23 LEU A 95 19.790 12.401 5.798 1.00 0.27 H new ATOM 1494 N THR A 96 17.757 15.433 2.862 1.00 0.19 N ATOM 1495 CA THR A 96 16.931 15.294 1.637 1.00 0.21 C ATOM 1496 C THR A 96 16.753 16.687 1.026 1.00 0.20 C ATOM 1497 O THR A 96 16.849 16.863 -0.170 1.00 0.21 O ATOM 1498 CB THR A 96 15.577 14.665 1.997 1.00 0.25 C ATOM 1499 OG1 THR A 96 15.696 13.250 1.947 1.00 0.29 O ATOM 1500 CG2 THR A 96 14.483 15.113 1.017 1.00 0.30 C ATOM 0 H THR A 96 17.285 15.206 3.737 1.00 0.19 H new ATOM 0 HA THR A 96 17.416 14.642 0.911 1.00 0.21 H new ATOM 0 HB THR A 96 15.298 14.990 2.999 1.00 0.25 H new ATOM 0 HG1 THR A 96 14.836 12.841 2.177 1.00 0.29 H new ATOM 0 HG21 THR A 96 13.535 14.653 1.295 1.00 0.30 H new ATOM 0 HG22 THR A 96 14.384 16.198 1.053 1.00 0.30 H new ATOM 0 HG23 THR A 96 14.752 14.807 0.006 1.00 0.30 H new ATOM 1508 N ARG A 97 16.520 17.682 1.846 1.00 0.21 N ATOM 1509 CA ARG A 97 16.359 19.069 1.316 1.00 0.22 C ATOM 1510 C ARG A 97 17.681 19.501 0.695 1.00 0.18 C ATOM 1511 O ARG A 97 17.721 20.213 -0.284 1.00 0.20 O ATOM 1512 CB ARG A 97 16.005 20.024 2.466 1.00 0.25 C ATOM 1513 CG ARG A 97 15.195 21.226 1.939 1.00 0.72 C ATOM 1514 CD ARG A 97 13.744 21.127 2.410 1.00 0.87 C ATOM 1515 NE ARG A 97 13.050 22.414 2.141 1.00 0.86 N ATOM 1516 CZ ARG A 97 11.752 22.459 2.177 1.00 1.69 C ATOM 1517 NH1 ARG A 97 11.083 21.372 2.421 1.00 2.33 N ATOM 1518 NH2 ARG A 97 11.124 23.582 1.966 1.00 2.05 N ATOM 0 H ARG A 97 16.435 17.593 2.858 1.00 0.21 H new ATOM 0 HA ARG A 97 15.562 19.094 0.572 1.00 0.22 H new ATOM 0 HB2 ARG A 97 15.428 19.493 3.223 1.00 0.25 H new ATOM 0 HB3 ARG A 97 16.917 20.376 2.948 1.00 0.25 H new ATOM 0 HG2 ARG A 97 15.638 22.157 2.293 1.00 0.72 H new ATOM 0 HG3 ARG A 97 15.231 21.250 0.850 1.00 0.72 H new ATOM 0 HD2 ARG A 97 13.237 20.312 1.893 1.00 0.87 H new ATOM 0 HD3 ARG A 97 13.710 20.898 3.475 1.00 0.87 H new ATOM 0 HE ARG A 97 13.588 23.254 1.930 1.00 0.86 H new ATOM 0 HH11 ARG A 97 11.577 20.494 2.582 1.00 2.33 H new ATOM 0 HH12 ARG A 97 10.064 21.396 2.452 1.00 2.33 H new ATOM 0 HH21 ARG A 97 11.652 24.433 1.771 1.00 2.05 H new ATOM 0 HH22 ARG A 97 10.105 23.610 1.996 1.00 2.05 H new ATOM 1532 N LEU A 98 18.768 19.072 1.266 1.00 0.15 N ATOM 1533 CA LEU A 98 20.090 19.441 0.716 1.00 0.14 C ATOM 1534 C LEU A 98 20.313 18.684 -0.602 1.00 0.14 C ATOM 1535 O LEU A 98 20.963 19.167 -1.506 1.00 0.14 O ATOM 1536 CB LEU A 98 21.174 19.062 1.732 1.00 0.16 C ATOM 1537 CG LEU A 98 21.286 20.148 2.815 1.00 0.18 C ATOM 1538 CD1 LEU A 98 20.130 20.004 3.809 1.00 0.14 C ATOM 1539 CD2 LEU A 98 22.621 20.004 3.562 1.00 0.25 C ATOM 0 H LEU A 98 18.794 18.478 2.095 1.00 0.15 H new ATOM 0 HA LEU A 98 20.135 20.513 0.525 1.00 0.14 H new ATOM 0 HB2 LEU A 98 20.934 18.103 2.191 1.00 0.16 H new ATOM 0 HB3 LEU A 98 22.132 18.942 1.226 1.00 0.16 H new ATOM 0 HG LEU A 98 21.241 21.129 2.342 1.00 0.18 H new ATOM 0 HD11 LEU A 98 20.211 20.775 4.576 1.00 0.14 H new ATOM 0 HD12 LEU A 98 19.182 20.114 3.283 1.00 0.14 H new ATOM 0 HD13 LEU A 98 20.173 19.021 4.277 1.00 0.14 H new ATOM 0 HD21 LEU A 98 22.695 20.776 4.328 1.00 0.25 H new ATOM 0 HD22 LEU A 98 22.671 19.021 4.031 1.00 0.25 H new ATOM 0 HD23 LEU A 98 23.446 20.112 2.857 1.00 0.25 H new ATOM 1551 N LYS A 99 19.790 17.487 -0.700 1.00 0.15 N ATOM 1552 CA LYS A 99 19.974 16.664 -1.938 1.00 0.15 C ATOM 1553 C LYS A 99 19.190 17.240 -3.130 1.00 0.16 C ATOM 1554 O LYS A 99 19.751 17.507 -4.173 1.00 0.17 O ATOM 1555 CB LYS A 99 19.502 15.235 -1.655 1.00 0.17 C ATOM 1556 CG LYS A 99 19.905 14.305 -2.805 1.00 0.23 C ATOM 1557 CD LYS A 99 19.590 12.859 -2.412 1.00 0.93 C ATOM 1558 CE LYS A 99 20.275 11.886 -3.381 1.00 1.17 C ATOM 1559 NZ LYS A 99 19.370 10.726 -3.640 1.00 1.77 N ATOM 0 H LYS A 99 19.238 17.040 0.032 1.00 0.15 H new ATOM 0 HA LYS A 99 21.031 16.675 -2.204 1.00 0.15 H new ATOM 0 HB2 LYS A 99 19.937 14.879 -0.721 1.00 0.17 H new ATOM 0 HB3 LYS A 99 18.419 15.220 -1.529 1.00 0.17 H new ATOM 0 HG2 LYS A 99 19.366 14.574 -3.713 1.00 0.23 H new ATOM 0 HG3 LYS A 99 20.968 14.413 -3.022 1.00 0.23 H new ATOM 0 HD2 LYS A 99 19.929 12.669 -1.394 1.00 0.93 H new ATOM 0 HD3 LYS A 99 18.512 12.698 -2.424 1.00 0.93 H new ATOM 0 HE2 LYS A 99 20.512 12.393 -4.316 1.00 1.17 H new ATOM 0 HE3 LYS A 99 21.218 11.539 -2.959 1.00 1.17 H new ATOM 0 HZ1 LYS A 99 19.832 10.065 -4.297 1.00 1.77 H new ATOM 0 HZ2 LYS A 99 19.166 10.238 -2.744 1.00 1.77 H new ATOM 0 HZ3 LYS A 99 18.481 11.066 -4.060 1.00 1.77 H new ATOM 1573 N GLN A 100 17.894 17.397 -3.008 1.00 0.19 N ATOM 1574 CA GLN A 100 17.095 17.907 -4.163 1.00 0.21 C ATOM 1575 C GLN A 100 17.802 19.099 -4.817 1.00 0.21 C ATOM 1576 O GLN A 100 17.684 19.316 -6.007 1.00 0.23 O ATOM 1577 CB GLN A 100 15.695 18.322 -3.692 1.00 0.25 C ATOM 1578 CG GLN A 100 15.759 18.831 -2.251 1.00 0.25 C ATOM 1579 CD GLN A 100 14.606 19.804 -1.995 1.00 0.28 C ATOM 1580 OE1 GLN A 100 14.651 20.943 -2.414 1.00 0.35 O ATOM 1581 NE2 GLN A 100 13.566 19.398 -1.318 1.00 0.34 N ATOM 0 H GLN A 100 17.359 17.195 -2.163 1.00 0.19 H new ATOM 0 HA GLN A 100 17.001 17.109 -4.900 1.00 0.21 H new ATOM 0 HB2 GLN A 100 15.298 19.100 -4.344 1.00 0.25 H new ATOM 0 HB3 GLN A 100 15.014 17.474 -3.757 1.00 0.25 H new ATOM 0 HG2 GLN A 100 15.701 17.993 -1.556 1.00 0.25 H new ATOM 0 HG3 GLN A 100 16.713 19.328 -2.073 1.00 0.25 H new ATOM 0 HE21 GLN A 100 13.528 18.441 -0.966 1.00 0.34 H new ATOM 0 HE22 GLN A 100 12.791 20.037 -1.141 1.00 0.34 H new ATOM 1590 N ILE A 101 18.544 19.866 -4.065 1.00 0.20 N ATOM 1591 CA ILE A 101 19.260 21.026 -4.668 1.00 0.20 C ATOM 1592 C ILE A 101 20.745 20.678 -4.799 1.00 0.18 C ATOM 1593 O ILE A 101 21.485 21.317 -5.522 1.00 0.21 O ATOM 1594 CB ILE A 101 19.087 22.253 -3.774 1.00 0.21 C ATOM 1595 CG1 ILE A 101 19.595 21.938 -2.368 1.00 0.19 C ATOM 1596 CG2 ILE A 101 17.605 22.629 -3.704 1.00 0.27 C ATOM 1597 CD1 ILE A 101 19.405 23.164 -1.472 1.00 0.23 C ATOM 0 H ILE A 101 18.685 19.740 -3.063 1.00 0.20 H new ATOM 0 HA ILE A 101 18.850 21.247 -5.653 1.00 0.20 H new ATOM 0 HB ILE A 101 19.656 23.085 -4.189 1.00 0.21 H new ATOM 0 HG12 ILE A 101 19.054 21.086 -1.956 1.00 0.19 H new ATOM 0 HG13 ILE A 101 20.648 21.660 -2.404 1.00 0.19 H new ATOM 0 HG21 ILE A 101 17.481 23.504 -3.066 1.00 0.27 H new ATOM 0 HG22 ILE A 101 17.239 22.855 -4.706 1.00 0.27 H new ATOM 0 HG23 ILE A 101 17.037 21.796 -3.290 1.00 0.27 H new ATOM 0 HD11 ILE A 101 19.767 22.941 -0.468 1.00 0.23 H new ATOM 0 HD12 ILE A 101 19.966 24.004 -1.881 1.00 0.23 H new ATOM 0 HD13 ILE A 101 18.347 23.421 -1.427 1.00 0.23 H new ATOM 1609 N GLY A 102 21.179 19.654 -4.117 1.00 0.16 N ATOM 1610 CA GLY A 102 22.609 19.239 -4.208 1.00 0.15 C ATOM 1611 C GLY A 102 23.479 20.139 -3.336 1.00 0.14 C ATOM 1612 O GLY A 102 24.545 20.563 -3.737 1.00 0.16 O ATOM 0 H GLY A 102 20.603 19.084 -3.498 1.00 0.16 H new ATOM 0 HA2 GLY A 102 22.714 18.202 -3.890 1.00 0.15 H new ATOM 0 HA3 GLY A 102 22.944 19.291 -5.244 1.00 0.15 H new ATOM 1616 N ALA A 103 23.045 20.433 -2.148 1.00 0.14 N ATOM 1617 CA ALA A 103 23.868 21.302 -1.263 1.00 0.15 C ATOM 1618 C ALA A 103 24.888 20.447 -0.511 1.00 0.16 C ATOM 1619 O ALA A 103 25.822 20.954 0.078 1.00 0.18 O ATOM 1620 CB ALA A 103 22.967 22.029 -0.261 1.00 0.17 C ATOM 0 H ALA A 103 22.162 20.113 -1.750 1.00 0.14 H new ATOM 0 HA ALA A 103 24.391 22.039 -1.872 1.00 0.15 H new ATOM 0 HB1 ALA A 103 23.576 22.663 0.383 1.00 0.17 H new ATOM 0 HB2 ALA A 103 22.247 22.645 -0.800 1.00 0.17 H new ATOM 0 HB3 ALA A 103 22.436 21.298 0.348 1.00 0.17 H new ATOM 1626 N LEU A 104 24.721 19.153 -0.529 1.00 0.17 N ATOM 1627 CA LEU A 104 25.686 18.268 0.181 1.00 0.20 C ATOM 1628 C LEU A 104 26.745 17.780 -0.806 1.00 0.22 C ATOM 1629 O LEU A 104 26.764 18.170 -1.955 1.00 0.24 O ATOM 1630 CB LEU A 104 24.942 17.066 0.785 1.00 0.24 C ATOM 1631 CG LEU A 104 24.629 16.008 -0.293 1.00 0.46 C ATOM 1632 CD1 LEU A 104 24.071 14.745 0.369 1.00 0.57 C ATOM 1633 CD2 LEU A 104 23.590 16.551 -1.280 1.00 1.14 C ATOM 0 H LEU A 104 23.958 18.671 -1.005 1.00 0.17 H new ATOM 0 HA LEU A 104 26.168 18.826 0.984 1.00 0.20 H new ATOM 0 HB2 LEU A 104 25.547 16.618 1.573 1.00 0.24 H new ATOM 0 HB3 LEU A 104 24.015 17.403 1.248 1.00 0.24 H new ATOM 0 HG LEU A 104 25.549 15.772 -0.827 1.00 0.46 H new ATOM 0 HD11 LEU A 104 23.851 14.000 -0.396 1.00 0.57 H new ATOM 0 HD12 LEU A 104 24.807 14.344 1.065 1.00 0.57 H new ATOM 0 HD13 LEU A 104 23.157 14.991 0.909 1.00 0.57 H new ATOM 0 HD21 LEU A 104 23.377 15.796 -2.036 1.00 1.14 H new ATOM 0 HD22 LEU A 104 22.673 16.797 -0.744 1.00 1.14 H new ATOM 0 HD23 LEU A 104 23.980 17.447 -1.762 1.00 1.14 H new ATOM 1645 N GLN A 105 27.619 16.916 -0.370 1.00 0.26 N ATOM 1646 CA GLN A 105 28.662 16.393 -1.292 1.00 0.31 C ATOM 1647 C GLN A 105 28.043 15.314 -2.183 1.00 0.35 C ATOM 1648 O GLN A 105 27.484 15.670 -3.208 1.00 1.05 O ATOM 1649 CB GLN A 105 29.811 15.788 -0.479 1.00 0.38 C ATOM 1650 CG GLN A 105 30.632 16.905 0.185 1.00 0.37 C ATOM 1651 CD GLN A 105 32.120 16.563 0.117 1.00 1.08 C ATOM 1652 OE1 GLN A 105 32.489 15.411 -0.014 1.00 1.88 O ATOM 1653 NE2 GLN A 105 32.997 17.523 0.196 1.00 1.73 N ATOM 1654 OXT GLN A 105 28.137 14.151 -1.826 1.00 0.97 O ATOM 0 H GLN A 105 27.655 16.551 0.582 1.00 0.26 H new ATOM 0 HA GLN A 105 29.048 17.205 -1.908 1.00 0.31 H new ATOM 0 HB2 GLN A 105 29.414 15.116 0.282 1.00 0.38 H new ATOM 0 HB3 GLN A 105 30.452 15.192 -1.128 1.00 0.38 H new ATOM 0 HG2 GLN A 105 30.444 17.854 -0.317 1.00 0.37 H new ATOM 0 HG3 GLN A 105 30.324 17.027 1.224 1.00 0.37 H new ATOM 0 HE21 GLN A 105 32.688 18.489 0.306 1.00 1.73 H new ATOM 0 HE22 GLN A 105 33.993 17.309 0.148 1.00 1.73 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.492 27.368 19.480 1.00 0.30 N HETATM 1665 CA1 GSH A 106 14.225 28.599 18.686 1.00 0.21 C HETATM 1666 C1 GSH A 106 13.880 28.211 17.247 1.00 0.28 C HETATM 1667 O11 GSH A 106 13.798 27.023 16.979 1.00 1.14 O HETATM 1668 O12 GSH A 106 13.700 29.106 16.439 1.00 1.07 O HETATM 1669 CB1 GSH A 106 15.472 29.490 18.702 1.00 0.19 C HETATM 1670 CG1 GSH A 106 15.754 29.957 20.140 1.00 0.23 C HETATM 1671 CD1 GSH A 106 16.021 31.465 20.172 1.00 0.17 C HETATM 1672 OE1 GSH A 106 16.570 32.032 19.250 1.00 0.17 O HETATM 1673 N2 GSH A 106 15.675 32.109 21.252 1.00 0.19 N HETATM 1674 CA2 GSH A 106 16.008 33.555 21.401 1.00 0.19 C HETATM 1675 C2 GSH A 106 15.322 34.364 20.299 1.00 0.23 C HETATM 1676 O2 GSH A 106 15.058 33.860 19.226 1.00 0.93 O HETATM 1677 CB2 GSH A 106 17.527 33.737 21.308 1.00 0.19 C HETATM 1678 SG2 GSH A 106 18.344 32.172 21.711 1.00 0.23 S HETATM 1679 N3 GSH A 106 15.258 35.657 20.470 1.00 0.68 N HETATM 1680 CA3 GSH A 106 14.705 36.528 19.396 1.00 0.57 C HETATM 1681 C3 GSH A 106 14.490 37.939 19.947 1.00 0.88 C HETATM 1682 O31 GSH A 106 13.888 38.053 21.003 1.00 1.32 O HETATM 1683 O32 GSH A 106 14.813 38.882 19.244 1.00 1.52 O HETATM 0 HN12 GSH A 106 14.739 27.441 20.467 1.00 0.30 H new HETATM 0 HN11 GSH A 106 14.428 26.451 19.037 1.00 0.30 H new HETATM 0 HG13 GSH A 106 14.904 29.719 20.779 1.00 0.23 H new HETATM 0 HG12 GSH A 106 16.614 29.421 20.541 1.00 0.23 H new HETATM 0 HB23 GSH A 106 17.805 34.058 20.304 1.00 0.19 H new HETATM 0 HB22 GSH A 106 17.854 34.518 21.994 1.00 0.19 H new HETATM 0 HB13 GSH A 106 16.329 28.940 18.313 1.00 0.19 H new HETATM 0 HB12 GSH A 106 15.324 30.352 18.051 1.00 0.19 H new HETATM 0 HA32 GSH A 106 15.389 36.557 18.548 1.00 0.57 H new HETATM 0 HA31 GSH A 106 13.762 36.120 19.031 1.00 0.57 H new HETATM 0 HN3 GSH A 106 15.588 36.072 21.342 1.00 0.68 H new HETATM 0 HN2 GSH A 106 15.175 31.623 21.996 1.00 0.19 H new HETATM 0 HA2 GSH A 106 15.657 33.909 22.370 1.00 0.19 H new HETATM 0 HA1 GSH A 106 13.387 29.144 19.120 1.00 0.21 H new