USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN :FLIP amide:sc= 0.372 F(o=-0.051,f=0.73) USER MOD Set 1.2: A 38 THR OG1 : rot 90:sc= 0.355 USER MOD Set 2.1: A 20 ASN : amide:sc= 0.464 K(o=0.78,f=-6.3!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.317 K(o=0.78,f=-6.7) USER MOD Set 3.1: A 9 THR OG1 : rot 77:sc= 0.92 USER MOD Set 3.2: A 49 SER OG : rot -60:sc= 1.96 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.148 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.914 K(o=0.91,f=-0.49) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 156:sc= 0.893 USER MOD Single : A 18 TYR OH : rot -146:sc= 0.84 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00673) USER MOD Single : A 23 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.87) USER MOD Single : A 25 LYS NZ :NH3+ -107:sc= 1.24 (180deg=-0.404) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 29 ASN : amide:sc= 0.0257 K(o=0.026,f=-0.64) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.49 K(o=-1.5,f=-4.2!) USER MOD Single : A 35 THR OG1 : rot 22:sc= 0.117 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0716 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= 1.18 (180deg=-0.109) USER MOD Single : A 57 MET CE :methyl -177:sc= -0.0321 (180deg=-0.0418) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 65 SER OG : rot -45:sc= 0.00281 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.528 K(o=0.53,f=-4.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.0613 (180deg=-0.346) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.27) USER MOD Single : A 94 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.084) USER MOD Single : A 99 GLN : amide:sc= 0.641 K(o=0.64,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.892 30.073 -2.995 1.00 24.42 N ATOM 2 CA GLY A 1 0.451 29.482 -2.923 1.00 31.12 C ATOM 3 C GLY A 1 0.438 28.112 -3.576 1.00 2.24 C ATOM 4 O GLY A 1 -0.631 27.548 -3.810 1.00 43.13 O ATOM 0 H1 GLY A 1 -0.866 30.921 -3.597 1.00 24.42 H new ATOM 0 H2 GLY A 1 -1.555 29.381 -3.400 1.00 24.42 H new ATOM 0 H3 GLY A 1 -1.207 30.336 -2.039 1.00 24.42 H new ATOM 0 HA2 GLY A 1 1.171 30.128 -3.424 1.00 31.12 H new ATOM 0 HA3 GLY A 1 0.767 29.398 -1.883 1.00 31.12 H new ATOM 8 N ALA A 2 1.615 27.576 -3.900 1.00 72.32 N ATOM 9 CA ALA A 2 1.731 26.272 -4.525 1.00 31.51 C ATOM 10 C ALA A 2 1.121 25.218 -3.605 1.00 54.32 C ATOM 11 O ALA A 2 1.326 25.252 -2.386 1.00 31.40 O ATOM 12 CB ALA A 2 3.197 25.962 -4.820 1.00 24.44 C ATOM 0 H ALA A 2 2.509 28.038 -3.734 1.00 72.32 H new ATOM 0 HA ALA A 2 1.190 26.266 -5.471 1.00 31.51 H new ATOM 0 HB1 ALA A 2 3.274 24.981 -5.289 1.00 24.44 H new ATOM 0 HB2 ALA A 2 3.601 26.719 -5.493 1.00 24.44 H new ATOM 0 HB3 ALA A 2 3.764 25.965 -3.889 1.00 24.44 H new ATOM 18 N GLN A 3 0.415 24.262 -4.198 1.00 12.32 N ATOM 19 CA GLN A 3 -0.229 23.138 -3.523 1.00 24.14 C ATOM 20 C GLN A 3 0.783 22.040 -3.161 1.00 60.44 C ATOM 21 O GLN A 3 0.410 20.962 -2.693 1.00 32.52 O ATOM 22 CB GLN A 3 -1.381 22.647 -4.411 1.00 64.12 C ATOM 23 CG GLN A 3 -2.581 23.608 -4.354 1.00 52.53 C ATOM 24 CD GLN A 3 -3.500 23.227 -3.203 1.00 61.22 C ATOM 25 OE1 GLN A 3 -4.391 22.398 -3.366 1.00 33.32 O ATOM 26 NE2 GLN A 3 -3.300 23.790 -2.019 1.00 75.32 N ATOM 0 H GLN A 3 0.269 24.247 -5.207 1.00 12.32 H new ATOM 0 HA GLN A 3 -0.644 23.453 -2.566 1.00 24.14 H new ATOM 0 HB2 GLN A 3 -1.035 22.555 -5.441 1.00 64.12 H new ATOM 0 HB3 GLN A 3 -1.693 21.653 -4.089 1.00 64.12 H new ATOM 0 HG2 GLN A 3 -2.231 24.632 -4.227 1.00 52.53 H new ATOM 0 HG3 GLN A 3 -3.130 23.573 -5.295 1.00 52.53 H new ATOM 0 HE21 GLN A 3 -2.555 24.477 -1.900 1.00 75.32 H new ATOM 0 HE22 GLN A 3 -3.891 23.536 -1.227 1.00 75.32 H new ATOM 33 N ASP A 4 2.075 22.336 -3.279 1.00 22.43 N ATOM 34 CA ASP A 4 3.200 21.451 -3.013 1.00 1.02 C ATOM 35 C ASP A 4 4.018 22.083 -1.887 1.00 54.13 C ATOM 36 O ASP A 4 5.245 22.001 -1.850 1.00 13.10 O ATOM 37 CB ASP A 4 3.968 21.181 -4.316 1.00 11.34 C ATOM 38 CG ASP A 4 3.218 20.152 -5.155 1.00 44.45 C ATOM 39 OD1 ASP A 4 3.102 18.997 -4.684 1.00 0.12 O ATOM 40 OD2 ASP A 4 2.677 20.510 -6.228 1.00 61.34 O ATOM 0 H ASP A 4 2.381 23.260 -3.583 1.00 22.43 H new ATOM 0 HA ASP A 4 2.894 20.463 -2.669 1.00 1.02 H new ATOM 0 HB2 ASP A 4 4.084 22.107 -4.879 1.00 11.34 H new ATOM 0 HB3 ASP A 4 4.970 20.818 -4.089 1.00 11.34 H new ATOM 44 N GLY A 5 3.311 22.768 -0.982 1.00 13.32 N ATOM 45 CA GLY A 5 3.848 23.496 0.144 1.00 34.35 C ATOM 46 C GLY A 5 3.971 22.567 1.346 1.00 53.23 C ATOM 47 O GLY A 5 5.023 21.957 1.560 1.00 40.02 O ATOM 0 H GLY A 5 2.294 22.825 -1.029 1.00 13.32 H new ATOM 0 HA2 GLY A 5 4.824 23.909 -0.110 1.00 34.35 H new ATOM 0 HA3 GLY A 5 3.200 24.338 0.388 1.00 34.35 H new ATOM 51 N LYS A 6 2.895 22.406 2.119 1.00 32.42 N ATOM 52 CA LYS A 6 2.786 21.368 3.142 1.00 41.54 C ATOM 53 C LYS A 6 1.305 21.010 3.284 1.00 1.12 C ATOM 54 O LYS A 6 0.687 21.319 4.303 1.00 62.11 O ATOM 55 CB LYS A 6 3.429 21.836 4.469 1.00 44.24 C ATOM 56 CG LYS A 6 3.720 20.651 5.404 1.00 4.40 C ATOM 57 CD LYS A 6 4.045 21.059 6.847 1.00 14.22 C ATOM 58 CE LYS A 6 2.803 21.571 7.577 1.00 34.40 C ATOM 59 NZ LYS A 6 2.965 21.609 9.048 1.00 20.34 N ATOM 0 H LYS A 6 2.068 22.999 2.051 1.00 32.42 H new ATOM 0 HA LYS A 6 3.336 20.472 2.854 1.00 41.54 H new ATOM 0 HB2 LYS A 6 4.356 22.369 4.257 1.00 44.24 H new ATOM 0 HB3 LYS A 6 2.763 22.540 4.969 1.00 44.24 H new ATOM 0 HG2 LYS A 6 2.856 19.987 5.411 1.00 4.40 H new ATOM 0 HG3 LYS A 6 4.557 20.081 5.001 1.00 4.40 H new ATOM 0 HD2 LYS A 6 4.458 20.205 7.384 1.00 14.22 H new ATOM 0 HD3 LYS A 6 4.812 21.834 6.843 1.00 14.22 H new ATOM 0 HE2 LYS A 6 2.566 22.573 7.218 1.00 34.40 H new ATOM 0 HE3 LYS A 6 1.955 20.934 7.328 1.00 34.40 H new ATOM 0 HZ1 LYS A 6 2.090 21.964 9.484 1.00 20.34 H new ATOM 0 HZ2 LYS A 6 3.163 20.651 9.400 1.00 20.34 H new ATOM 0 HZ3 LYS A 6 3.755 22.239 9.294 1.00 20.34 H new ATOM 69 N GLU A 7 0.718 20.387 2.266 1.00 0.24 N ATOM 70 CA GLU A 7 -0.716 20.133 2.177 1.00 44.22 C ATOM 71 C GLU A 7 -1.007 18.764 1.529 1.00 42.04 C ATOM 72 O GLU A 7 -2.018 18.597 0.855 1.00 60.31 O ATOM 73 CB GLU A 7 -1.375 21.337 1.449 1.00 52.11 C ATOM 74 CG GLU A 7 -2.718 21.758 2.069 1.00 31.42 C ATOM 75 CD GLU A 7 -3.430 22.855 1.266 1.00 22.41 C ATOM 76 OE1 GLU A 7 -4.200 22.523 0.333 1.00 75.54 O ATOM 77 OE2 GLU A 7 -3.216 24.054 1.572 1.00 5.33 O ATOM 0 H GLU A 7 1.239 20.037 1.462 1.00 0.24 H new ATOM 0 HA GLU A 7 -1.160 20.059 3.170 1.00 44.22 H new ATOM 0 HB2 GLU A 7 -0.691 22.185 1.470 1.00 52.11 H new ATOM 0 HB3 GLU A 7 -1.531 21.079 0.401 1.00 52.11 H new ATOM 0 HG2 GLU A 7 -3.369 20.886 2.140 1.00 31.42 H new ATOM 0 HG3 GLU A 7 -2.548 22.112 3.086 1.00 31.42 H new ATOM 82 N THR A 8 -0.149 17.767 1.733 1.00 71.11 N ATOM 83 CA THR A 8 -0.105 16.518 0.948 1.00 53.12 C ATOM 84 C THR A 8 -0.058 15.250 1.820 1.00 43.05 C ATOM 85 O THR A 8 0.406 15.308 2.962 1.00 23.40 O ATOM 86 CB THR A 8 1.098 16.569 -0.019 1.00 74.43 C ATOM 87 OG1 THR A 8 2.165 17.346 0.515 1.00 43.45 O ATOM 88 CG2 THR A 8 0.705 17.204 -1.351 1.00 11.14 C ATOM 0 H THR A 8 0.558 17.799 2.468 1.00 71.11 H new ATOM 0 HA THR A 8 -1.036 16.451 0.384 1.00 53.12 H new ATOM 0 HB THR A 8 1.417 15.537 -0.162 1.00 74.43 H new ATOM 0 HG1 THR A 8 2.911 17.357 -0.120 1.00 43.45 H new ATOM 0 HG21 THR A 8 1.571 17.227 -2.013 1.00 11.14 H new ATOM 0 HG22 THR A 8 -0.089 16.618 -1.813 1.00 11.14 H new ATOM 0 HG23 THR A 8 0.352 18.221 -1.179 1.00 11.14 H new ATOM 96 N THR A 9 -0.509 14.114 1.268 1.00 3.23 N ATOM 97 CA THR A 9 -0.490 12.803 1.917 1.00 14.20 C ATOM 98 C THR A 9 0.785 12.002 1.602 1.00 34.21 C ATOM 99 O THR A 9 1.165 11.839 0.439 1.00 62.21 O ATOM 100 CB THR A 9 -1.733 11.967 1.515 1.00 23.40 C ATOM 101 OG1 THR A 9 -2.414 12.465 0.381 1.00 61.33 O ATOM 102 CG2 THR A 9 -2.754 11.899 2.652 1.00 15.44 C ATOM 0 H THR A 9 -0.908 14.086 0.330 1.00 3.23 H new ATOM 0 HA THR A 9 -0.507 12.996 2.990 1.00 14.20 H new ATOM 0 HB THR A 9 -1.328 10.982 1.282 1.00 23.40 H new ATOM 0 HG1 THR A 9 -1.920 12.223 -0.430 1.00 61.33 H new ATOM 0 HG21 THR A 9 -3.612 11.306 2.336 1.00 15.44 H new ATOM 0 HG22 THR A 9 -2.295 11.436 3.526 1.00 15.44 H new ATOM 0 HG23 THR A 9 -3.084 12.907 2.906 1.00 15.44 H new ATOM 110 N THR A 10 1.366 11.399 2.637 1.00 0.41 N ATOM 111 CA THR A 10 2.348 10.340 2.510 1.00 32.40 C ATOM 112 C THR A 10 1.620 9.018 2.255 1.00 43.22 C ATOM 113 O THR A 10 0.553 8.767 2.819 1.00 52.21 O ATOM 114 CB THR A 10 3.207 10.336 3.792 1.00 71.23 C ATOM 115 OG1 THR A 10 3.718 11.630 4.051 1.00 60.42 O ATOM 116 CG2 THR A 10 4.401 9.393 3.724 1.00 44.13 C ATOM 0 H THR A 10 1.158 11.643 3.605 1.00 0.41 H new ATOM 0 HA THR A 10 3.019 10.493 1.664 1.00 32.40 H new ATOM 0 HB THR A 10 2.536 9.997 4.581 1.00 71.23 H new ATOM 0 HG1 THR A 10 4.259 11.611 4.868 1.00 60.42 H new ATOM 0 HG21 THR A 10 4.958 9.443 4.660 1.00 44.13 H new ATOM 0 HG22 THR A 10 4.051 8.373 3.565 1.00 44.13 H new ATOM 0 HG23 THR A 10 5.050 9.687 2.899 1.00 44.13 H new ATOM 124 N ILE A 11 2.199 8.137 1.444 1.00 20.44 N ATOM 125 CA ILE A 11 1.865 6.716 1.415 1.00 62.34 C ATOM 126 C ILE A 11 3.082 6.015 2.049 1.00 11.04 C ATOM 127 O ILE A 11 4.153 6.608 2.222 1.00 41.04 O ATOM 128 CB ILE A 11 1.467 6.260 -0.023 1.00 41.01 C ATOM 129 CG1 ILE A 11 0.251 7.074 -0.517 1.00 33.14 C ATOM 130 CG2 ILE A 11 1.153 4.750 -0.142 1.00 54.42 C ATOM 131 CD1 ILE A 11 -0.090 6.873 -1.995 1.00 74.33 C ATOM 0 H ILE A 11 2.926 8.395 0.777 1.00 20.44 H new ATOM 0 HA ILE A 11 0.975 6.452 1.987 1.00 62.34 H new ATOM 0 HB ILE A 11 2.341 6.446 -0.647 1.00 41.01 H new ATOM 0 HG12 ILE A 11 -0.618 6.805 0.083 1.00 33.14 H new ATOM 0 HG13 ILE A 11 0.443 8.133 -0.342 1.00 33.14 H new ATOM 0 HG21 ILE A 11 0.885 4.514 -1.172 1.00 54.42 H new ATOM 0 HG22 ILE A 11 2.031 4.172 0.146 1.00 54.42 H new ATOM 0 HG23 ILE A 11 0.321 4.498 0.516 1.00 54.42 H new ATOM 0 HD11 ILE A 11 -0.956 7.482 -2.255 1.00 74.33 H new ATOM 0 HD12 ILE A 11 0.760 7.171 -2.608 1.00 74.33 H new ATOM 0 HD13 ILE A 11 -0.318 5.823 -2.176 1.00 74.33 H new ATOM 142 N ARG A 12 2.973 4.748 2.422 1.00 60.44 N ATOM 143 CA ARG A 12 4.117 3.929 2.795 1.00 44.11 C ATOM 144 C ARG A 12 3.744 2.486 2.470 1.00 42.03 C ATOM 145 O ARG A 12 2.636 2.059 2.785 1.00 63.33 O ATOM 146 CB ARG A 12 4.452 4.224 4.280 1.00 20.32 C ATOM 147 CG ARG A 12 5.165 3.108 5.039 1.00 52.11 C ATOM 148 CD ARG A 12 6.661 3.027 4.921 1.00 22.40 C ATOM 149 NE ARG A 12 7.392 3.939 5.806 1.00 14.00 N ATOM 150 CZ ARG A 12 8.724 4.089 5.825 1.00 72.33 C ATOM 151 NH1 ARG A 12 9.517 3.305 5.102 1.00 65.44 N ATOM 152 NH2 ARG A 12 9.239 5.063 6.560 1.00 52.24 N ATOM 0 H ARG A 12 2.081 4.256 2.475 1.00 60.44 H new ATOM 0 HA ARG A 12 5.033 4.146 2.246 1.00 44.11 H new ATOM 0 HB2 ARG A 12 5.073 5.119 4.321 1.00 20.32 H new ATOM 0 HB3 ARG A 12 3.524 4.456 4.802 1.00 20.32 H new ATOM 0 HG2 ARG A 12 4.917 3.210 6.096 1.00 52.11 H new ATOM 0 HG3 ARG A 12 4.750 2.157 4.704 1.00 52.11 H new ATOM 0 HD2 ARG A 12 6.975 2.005 5.134 1.00 22.40 H new ATOM 0 HD3 ARG A 12 6.943 3.238 3.890 1.00 22.40 H new ATOM 0 HE ARG A 12 6.845 4.503 6.457 1.00 14.00 H new ATOM 0 HH11 ARG A 12 9.115 2.572 4.518 1.00 65.44 H new ATOM 0 HH12 ARG A 12 10.528 3.436 5.131 1.00 65.44 H new ATOM 0 HH21 ARG A 12 8.625 5.678 7.095 1.00 52.24 H new ATOM 0 HH22 ARG A 12 10.249 5.198 6.592 1.00 52.24 H new ATOM 163 N LEU A 13 4.684 1.706 1.946 1.00 51.02 N ATOM 164 CA LEU A 13 4.585 0.260 1.819 1.00 65.12 C ATOM 165 C LEU A 13 5.519 -0.385 2.838 1.00 22.14 C ATOM 166 O LEU A 13 6.630 0.110 3.046 1.00 64.33 O ATOM 167 CB LEU A 13 4.956 -0.150 0.382 1.00 25.22 C ATOM 168 CG LEU A 13 3.770 -0.188 -0.598 1.00 23.30 C ATOM 169 CD1 LEU A 13 2.922 -1.432 -0.333 1.00 63.21 C ATOM 170 CD2 LEU A 13 2.899 1.074 -0.588 1.00 20.14 C ATOM 0 H LEU A 13 5.564 2.077 1.587 1.00 51.02 H new ATOM 0 HA LEU A 13 3.567 -0.077 2.016 1.00 65.12 H new ATOM 0 HB2 LEU A 13 5.704 0.546 0.001 1.00 25.22 H new ATOM 0 HB3 LEU A 13 5.421 -1.135 0.408 1.00 25.22 H new ATOM 0 HG LEU A 13 4.201 -0.230 -1.598 1.00 23.30 H new ATOM 0 HD11 LEU A 13 2.083 -1.456 -1.029 1.00 63.21 H new ATOM 0 HD12 LEU A 13 3.532 -2.325 -0.470 1.00 63.21 H new ATOM 0 HD13 LEU A 13 2.545 -1.404 0.689 1.00 63.21 H new ATOM 0 HD21 LEU A 13 2.088 0.962 -1.307 1.00 20.14 H new ATOM 0 HD22 LEU A 13 2.483 1.221 0.409 1.00 20.14 H new ATOM 0 HD23 LEU A 13 3.507 1.938 -0.858 1.00 20.14 H new ATOM 181 N ILE A 14 5.083 -1.486 3.456 1.00 55.55 N ATOM 182 CA ILE A 14 5.832 -2.309 4.388 1.00 0.05 C ATOM 183 C ILE A 14 5.598 -3.772 3.983 1.00 25.30 C ATOM 184 O ILE A 14 4.454 -4.180 3.758 1.00 20.34 O ATOM 185 CB ILE A 14 5.363 -2.051 5.839 1.00 24.41 C ATOM 186 CG1 ILE A 14 5.218 -0.566 6.241 1.00 15.43 C ATOM 187 CG2 ILE A 14 6.373 -2.683 6.811 1.00 32.45 C ATOM 188 CD1 ILE A 14 3.900 0.127 5.883 1.00 2.02 C ATOM 0 H ILE A 14 4.139 -1.842 3.304 1.00 55.55 H new ATOM 0 HA ILE A 14 6.895 -2.070 4.353 1.00 0.05 H new ATOM 0 HB ILE A 14 4.367 -2.491 5.892 1.00 24.41 H new ATOM 0 HG12 ILE A 14 5.357 -0.492 7.320 1.00 15.43 H new ATOM 0 HG13 ILE A 14 6.031 -0.008 5.776 1.00 15.43 H new ATOM 0 HG21 ILE A 14 6.050 -2.506 7.837 1.00 32.45 H new ATOM 0 HG22 ILE A 14 6.431 -3.756 6.629 1.00 32.45 H new ATOM 0 HG23 ILE A 14 7.355 -2.236 6.657 1.00 32.45 H new ATOM 0 HD11 ILE A 14 3.930 1.163 6.221 1.00 2.02 H new ATOM 0 HD12 ILE A 14 3.757 0.102 4.803 1.00 2.02 H new ATOM 0 HD13 ILE A 14 3.073 -0.390 6.370 1.00 2.02 H new ATOM 199 N ASN A 15 6.668 -4.563 3.894 1.00 40.34 N ATOM 200 CA ASN A 15 6.668 -5.907 3.324 1.00 3.04 C ATOM 201 C ASN A 15 6.898 -6.959 4.414 1.00 31.22 C ATOM 202 O ASN A 15 7.931 -7.630 4.436 1.00 32.24 O ATOM 203 CB ASN A 15 7.740 -5.972 2.224 1.00 45.05 C ATOM 204 CG ASN A 15 7.473 -7.155 1.299 1.00 20.41 C ATOM 205 OD1 ASN A 15 6.403 -7.276 0.715 1.00 43.11 O ATOM 206 ND2 ASN A 15 8.445 -8.026 1.130 1.00 34.11 N ATOM 0 H ASN A 15 7.588 -4.275 4.228 1.00 40.34 H new ATOM 0 HA ASN A 15 5.697 -6.127 2.881 1.00 3.04 H new ATOM 0 HB2 ASN A 15 7.740 -5.045 1.650 1.00 45.05 H new ATOM 0 HB3 ASN A 15 8.728 -6.068 2.674 1.00 45.05 H new ATOM 0 HD21 ASN A 15 8.315 -8.820 0.503 1.00 34.11 H new ATOM 0 HD22 ASN A 15 9.328 -7.907 1.626 1.00 34.11 H new ATOM 212 N GLN A 16 5.988 -7.055 5.387 1.00 61.24 N ATOM 213 CA GLN A 16 6.153 -7.830 6.621 1.00 20.12 C ATOM 214 C GLN A 16 5.828 -9.304 6.351 1.00 1.23 C ATOM 215 O GLN A 16 4.875 -9.869 6.892 1.00 0.21 O ATOM 216 CB GLN A 16 5.303 -7.232 7.764 1.00 60.35 C ATOM 217 CG GLN A 16 5.423 -5.706 7.858 1.00 20.33 C ATOM 218 CD GLN A 16 4.785 -5.112 9.108 1.00 21.22 C ATOM 219 OE1 GLN A 16 5.460 -4.431 9.880 1.00 24.21 O ATOM 220 NE2 GLN A 16 3.494 -5.293 9.320 1.00 44.45 N ATOM 0 H GLN A 16 5.087 -6.580 5.336 1.00 61.24 H new ATOM 0 HA GLN A 16 7.191 -7.776 6.950 1.00 20.12 H new ATOM 0 HB2 GLN A 16 4.258 -7.501 7.612 1.00 60.35 H new ATOM 0 HB3 GLN A 16 5.612 -7.675 8.711 1.00 60.35 H new ATOM 0 HG2 GLN A 16 6.478 -5.432 7.835 1.00 20.33 H new ATOM 0 HG3 GLN A 16 4.959 -5.260 6.978 1.00 20.33 H new ATOM 0 HE21 GLN A 16 2.945 -5.859 8.673 1.00 44.45 H new ATOM 0 HE22 GLN A 16 3.046 -4.866 10.131 1.00 44.45 H new ATOM 227 N THR A 17 6.627 -9.917 5.487 1.00 15.31 N ATOM 228 CA THR A 17 6.398 -11.236 4.927 1.00 20.21 C ATOM 229 C THR A 17 7.706 -12.024 4.800 1.00 4.21 C ATOM 230 O THR A 17 8.808 -11.503 5.011 1.00 42.24 O ATOM 231 CB THR A 17 5.697 -11.080 3.567 1.00 21.24 C ATOM 232 OG1 THR A 17 6.226 -10.009 2.800 1.00 54.11 O ATOM 233 CG2 THR A 17 4.207 -10.815 3.753 1.00 1.03 C ATOM 0 H THR A 17 7.487 -9.488 5.145 1.00 15.31 H new ATOM 0 HA THR A 17 5.757 -11.808 5.598 1.00 20.21 H new ATOM 0 HB THR A 17 5.866 -12.018 3.038 1.00 21.24 H new ATOM 0 HG1 THR A 17 6.049 -10.169 1.849 1.00 54.11 H new ATOM 0 HG21 THR A 17 3.732 -10.708 2.778 1.00 1.03 H new ATOM 0 HG22 THR A 17 3.753 -11.649 4.288 1.00 1.03 H new ATOM 0 HG23 THR A 17 4.069 -9.898 4.326 1.00 1.03 H new ATOM 241 N TYR A 18 7.573 -13.285 4.398 1.00 2.40 N ATOM 242 CA TYR A 18 8.656 -14.243 4.175 1.00 1.05 C ATOM 243 C TYR A 18 9.142 -14.300 2.713 1.00 20.55 C ATOM 244 O TYR A 18 9.836 -15.247 2.323 1.00 40.12 O ATOM 245 CB TYR A 18 8.225 -15.616 4.705 1.00 60.41 C ATOM 246 CG TYR A 18 6.949 -16.205 4.123 1.00 12.15 C ATOM 247 CD1 TYR A 18 6.902 -16.670 2.795 1.00 14.31 C ATOM 248 CD2 TYR A 18 5.780 -16.245 4.906 1.00 1.33 C ATOM 249 CE1 TYR A 18 5.720 -17.217 2.273 1.00 40.12 C ATOM 250 CE2 TYR A 18 4.592 -16.798 4.392 1.00 54.15 C ATOM 251 CZ TYR A 18 4.555 -17.296 3.067 1.00 52.31 C ATOM 252 OH TYR A 18 3.430 -17.840 2.519 1.00 23.24 O ATOM 0 H TYR A 18 6.656 -13.690 4.208 1.00 2.40 H new ATOM 0 HA TYR A 18 9.528 -13.900 4.731 1.00 1.05 H new ATOM 0 HB2 TYR A 18 9.037 -16.320 4.525 1.00 60.41 H new ATOM 0 HB3 TYR A 18 8.102 -15.540 5.785 1.00 60.41 H new ATOM 0 HD1 TYR A 18 7.783 -16.605 2.173 1.00 14.31 H new ATOM 0 HD2 TYR A 18 5.795 -15.848 5.910 1.00 1.33 H new ATOM 0 HE1 TYR A 18 5.701 -17.580 1.256 1.00 40.12 H new ATOM 0 HE2 TYR A 18 3.707 -16.843 5.009 1.00 54.15 H new ATOM 0 HH TYR A 18 2.639 -17.391 2.883 1.00 23.24 H new ATOM 261 N PHE A 19 8.777 -13.317 1.887 1.00 52.33 N ATOM 262 CA PHE A 19 9.208 -13.219 0.496 1.00 42.22 C ATOM 263 C PHE A 19 9.640 -11.791 0.173 1.00 3.50 C ATOM 264 O PHE A 19 9.371 -10.851 0.922 1.00 73.12 O ATOM 265 CB PHE A 19 8.084 -13.701 -0.444 1.00 63.24 C ATOM 266 CG PHE A 19 6.743 -13.017 -0.260 1.00 24.44 C ATOM 267 CD1 PHE A 19 6.604 -11.630 -0.457 1.00 54.43 C ATOM 268 CD2 PHE A 19 5.632 -13.764 0.169 1.00 64.23 C ATOM 269 CE1 PHE A 19 5.401 -10.983 -0.151 1.00 71.32 C ATOM 270 CE2 PHE A 19 4.425 -13.114 0.464 1.00 54.51 C ATOM 271 CZ PHE A 19 4.310 -11.726 0.311 1.00 20.32 C ATOM 0 H PHE A 19 8.163 -12.555 2.174 1.00 52.33 H new ATOM 0 HA PHE A 19 10.071 -13.867 0.342 1.00 42.22 H new ATOM 0 HB2 PHE A 19 8.408 -13.556 -1.474 1.00 63.24 H new ATOM 0 HB3 PHE A 19 7.949 -14.773 -0.301 1.00 63.24 H new ATOM 0 HD1 PHE A 19 7.434 -11.060 -0.848 1.00 54.43 H new ATOM 0 HD2 PHE A 19 5.708 -14.836 0.271 1.00 64.23 H new ATOM 0 HE1 PHE A 19 5.316 -9.913 -0.271 1.00 71.32 H new ATOM 0 HE2 PHE A 19 3.578 -13.687 0.812 1.00 54.51 H new ATOM 0 HZ PHE A 19 3.380 -11.231 0.549 1.00 20.32 H new ATOM 280 N ASN A 20 10.241 -11.629 -1.003 1.00 20.10 N ATOM 281 CA ASN A 20 10.483 -10.359 -1.682 1.00 21.50 C ATOM 282 C ASN A 20 9.323 -10.064 -2.641 1.00 13.02 C ATOM 283 O ASN A 20 8.658 -10.995 -3.109 1.00 24.13 O ATOM 284 CB ASN A 20 11.783 -10.509 -2.479 1.00 24.20 C ATOM 285 CG ASN A 20 12.080 -9.313 -3.374 1.00 32.50 C ATOM 286 OD1 ASN A 20 12.547 -8.286 -2.903 1.00 63.42 O ATOM 287 ND2 ASN A 20 11.869 -9.419 -4.675 1.00 1.44 N ATOM 0 H ASN A 20 10.591 -12.424 -1.537 1.00 20.10 H new ATOM 0 HA ASN A 20 10.561 -9.542 -0.965 1.00 21.50 H new ATOM 0 HB2 ASN A 20 12.612 -10.651 -1.786 1.00 24.20 H new ATOM 0 HB3 ASN A 20 11.724 -11.408 -3.093 1.00 24.20 H new ATOM 0 HD21 ASN A 20 12.096 -8.640 -5.294 1.00 1.44 H new ATOM 0 HD22 ASN A 20 11.479 -10.279 -5.060 1.00 1.44 H new ATOM 293 N VAL A 21 9.113 -8.796 -2.991 1.00 65.12 N ATOM 294 CA VAL A 21 8.210 -8.349 -4.051 1.00 11.51 C ATOM 295 C VAL A 21 8.962 -7.358 -4.944 1.00 12.12 C ATOM 296 O VAL A 21 9.923 -6.736 -4.502 1.00 32.25 O ATOM 297 CB VAL A 21 6.937 -7.713 -3.461 1.00 4.44 C ATOM 298 CG1 VAL A 21 6.157 -8.682 -2.576 1.00 31.14 C ATOM 299 CG2 VAL A 21 7.232 -6.483 -2.597 1.00 74.45 C ATOM 0 H VAL A 21 9.586 -8.021 -2.526 1.00 65.12 H new ATOM 0 HA VAL A 21 7.890 -9.204 -4.646 1.00 11.51 H new ATOM 0 HB VAL A 21 6.352 -7.431 -4.337 1.00 4.44 H new ATOM 0 HG11 VAL A 21 5.269 -8.184 -2.186 1.00 31.14 H new ATOM 0 HG12 VAL A 21 5.857 -9.550 -3.163 1.00 31.14 H new ATOM 0 HG13 VAL A 21 6.786 -9.004 -1.747 1.00 31.14 H new ATOM 0 HG21 VAL A 21 6.297 -6.078 -2.209 1.00 74.45 H new ATOM 0 HG22 VAL A 21 7.877 -6.768 -1.766 1.00 74.45 H new ATOM 0 HG23 VAL A 21 7.732 -5.726 -3.201 1.00 74.45 H new ATOM 309 N LYS A 22 8.532 -7.192 -6.197 1.00 54.34 N ATOM 310 CA LYS A 22 9.313 -6.499 -7.237 1.00 3.21 C ATOM 311 C LYS A 22 8.449 -5.775 -8.265 1.00 43.22 C ATOM 312 O LYS A 22 8.840 -5.623 -9.424 1.00 63.14 O ATOM 313 CB LYS A 22 10.261 -7.503 -7.914 1.00 65.21 C ATOM 314 CG LYS A 22 9.503 -8.640 -8.623 1.00 43.44 C ATOM 315 CD LYS A 22 9.424 -9.931 -7.795 1.00 42.41 C ATOM 316 CE LYS A 22 8.437 -10.896 -8.448 1.00 5.11 C ATOM 317 NZ LYS A 22 8.901 -11.382 -9.762 1.00 72.44 N ATOM 0 H LYS A 22 7.629 -7.534 -6.525 1.00 54.34 H new ATOM 0 HA LYS A 22 9.891 -5.717 -6.745 1.00 3.21 H new ATOM 0 HB2 LYS A 22 10.884 -6.978 -8.638 1.00 65.21 H new ATOM 0 HB3 LYS A 22 10.930 -7.928 -7.166 1.00 65.21 H new ATOM 0 HG2 LYS A 22 8.492 -8.304 -8.855 1.00 43.44 H new ATOM 0 HG3 LYS A 22 9.993 -8.856 -9.573 1.00 43.44 H new ATOM 0 HD2 LYS A 22 10.409 -10.393 -7.727 1.00 42.41 H new ATOM 0 HD3 LYS A 22 9.107 -9.704 -6.777 1.00 42.41 H new ATOM 0 HE2 LYS A 22 8.276 -11.747 -7.787 1.00 5.11 H new ATOM 0 HE3 LYS A 22 7.474 -10.399 -8.568 1.00 5.11 H new ATOM 0 HZ1 LYS A 22 8.219 -12.072 -10.138 1.00 72.44 H new ATOM 0 HZ2 LYS A 22 8.981 -10.581 -10.420 1.00 72.44 H new ATOM 0 HZ3 LYS A 22 9.830 -11.837 -9.656 1.00 72.44 H new ATOM 327 N ASN A 23 7.219 -5.442 -7.877 1.00 5.30 N ATOM 328 CA ASN A 23 6.183 -5.007 -8.803 1.00 51.33 C ATOM 329 C ASN A 23 4.918 -4.707 -8.006 1.00 54.01 C ATOM 330 O ASN A 23 3.896 -5.375 -8.166 1.00 0.00 O ATOM 331 CB ASN A 23 5.895 -6.069 -9.911 1.00 73.11 C ATOM 332 CG ASN A 23 5.820 -7.521 -9.432 1.00 1.14 C ATOM 333 OD1 ASN A 23 6.303 -8.444 -10.073 1.00 52.22 O ATOM 334 ND2 ASN A 23 5.259 -7.756 -8.261 1.00 52.25 N ATOM 0 H ASN A 23 6.915 -5.468 -6.904 1.00 5.30 H new ATOM 0 HA ASN A 23 6.530 -4.111 -9.318 1.00 51.33 H new ATOM 0 HB2 ASN A 23 4.952 -5.816 -10.395 1.00 73.11 H new ATOM 0 HB3 ASN A 23 6.673 -5.996 -10.671 1.00 73.11 H new ATOM 0 HD21 ASN A 23 5.229 -8.706 -7.892 1.00 52.25 H new ATOM 0 HD22 ASN A 23 4.856 -6.987 -7.725 1.00 52.25 H new ATOM 340 N ILE A 24 4.980 -3.785 -7.052 1.00 22.41 N ATOM 341 CA ILE A 24 3.787 -3.426 -6.280 1.00 62.52 C ATOM 342 C ILE A 24 3.140 -2.272 -7.035 1.00 54.41 C ATOM 343 O ILE A 24 3.743 -1.205 -7.105 1.00 0.11 O ATOM 344 CB ILE A 24 4.107 -3.050 -4.816 1.00 55.04 C ATOM 345 CG1 ILE A 24 5.256 -3.890 -4.221 1.00 2.23 C ATOM 346 CG2 ILE A 24 2.827 -3.200 -3.973 1.00 31.33 C ATOM 347 CD1 ILE A 24 5.668 -3.422 -2.828 1.00 54.23 C ATOM 0 H ILE A 24 5.826 -3.278 -6.794 1.00 22.41 H new ATOM 0 HA ILE A 24 3.114 -4.279 -6.196 1.00 62.52 H new ATOM 0 HB ILE A 24 4.450 -2.015 -4.799 1.00 55.04 H new ATOM 0 HG12 ILE A 24 4.949 -4.935 -4.173 1.00 2.23 H new ATOM 0 HG13 ILE A 24 6.118 -3.841 -4.886 1.00 2.23 H new ATOM 0 HG21 ILE A 24 3.041 -2.937 -2.937 1.00 31.33 H new ATOM 0 HG22 ILE A 24 2.054 -2.538 -4.363 1.00 31.33 H new ATOM 0 HG23 ILE A 24 2.479 -4.232 -4.021 1.00 31.33 H new ATOM 0 HD11 ILE A 24 6.480 -4.049 -2.459 1.00 54.23 H new ATOM 0 HD12 ILE A 24 6.003 -2.386 -2.877 1.00 54.23 H new ATOM 0 HD13 ILE A 24 4.816 -3.497 -2.152 1.00 54.23 H new ATOM 358 N LYS A 25 1.978 -2.472 -7.661 1.00 44.41 N ATOM 359 CA LYS A 25 1.147 -1.353 -8.094 1.00 11.32 C ATOM 360 C LYS A 25 0.493 -0.775 -6.838 1.00 42.31 C ATOM 361 O LYS A 25 0.037 -1.516 -5.960 1.00 71.21 O ATOM 362 CB LYS A 25 0.090 -1.818 -9.118 1.00 24.22 C ATOM 363 CG LYS A 25 0.203 -1.116 -10.483 1.00 65.33 C ATOM 364 CD LYS A 25 -0.257 0.350 -10.477 1.00 34.34 C ATOM 365 CE LYS A 25 -1.783 0.473 -10.405 1.00 33.50 C ATOM 366 NZ LYS A 25 -2.459 0.096 -11.663 1.00 21.24 N ATOM 0 H LYS A 25 1.596 -3.393 -7.877 1.00 44.41 H new ATOM 0 HA LYS A 25 1.746 -0.592 -8.595 1.00 11.32 H new ATOM 0 HB2 LYS A 25 0.186 -2.894 -9.263 1.00 24.22 H new ATOM 0 HB3 LYS A 25 -0.904 -1.639 -8.708 1.00 24.22 H new ATOM 0 HG2 LYS A 25 1.240 -1.158 -10.816 1.00 65.33 H new ATOM 0 HG3 LYS A 25 -0.389 -1.668 -11.213 1.00 65.33 H new ATOM 0 HD2 LYS A 25 0.189 0.866 -9.627 1.00 34.34 H new ATOM 0 HD3 LYS A 25 0.105 0.847 -11.377 1.00 34.34 H new ATOM 0 HE2 LYS A 25 -2.154 -0.159 -9.598 1.00 33.50 H new ATOM 0 HE3 LYS A 25 -2.046 1.500 -10.153 1.00 33.50 H new ATOM 0 HZ1 LYS A 25 -2.815 0.951 -12.136 1.00 21.24 H new ATOM 0 HZ2 LYS A 25 -1.784 -0.390 -12.288 1.00 21.24 H new ATOM 0 HZ3 LYS A 25 -3.255 -0.539 -11.452 1.00 21.24 H new ATOM 376 N VAL A 26 0.447 0.547 -6.758 1.00 22.12 N ATOM 377 CA VAL A 26 -0.092 1.288 -5.632 1.00 24.41 C ATOM 378 C VAL A 26 -1.050 2.299 -6.222 1.00 4.40 C ATOM 379 O VAL A 26 -0.768 2.848 -7.284 1.00 51.44 O ATOM 380 CB VAL A 26 1.071 1.951 -4.873 1.00 35.50 C ATOM 381 CG1 VAL A 26 0.571 2.720 -3.643 1.00 1.11 C ATOM 382 CG2 VAL A 26 2.116 0.880 -4.530 1.00 2.05 C ATOM 0 H VAL A 26 0.796 1.152 -7.502 1.00 22.12 H new ATOM 0 HA VAL A 26 -0.619 0.659 -4.914 1.00 24.41 H new ATOM 0 HB VAL A 26 1.549 2.698 -5.507 1.00 35.50 H new ATOM 0 HG11 VAL A 26 1.418 3.176 -3.130 1.00 1.11 H new ATOM 0 HG12 VAL A 26 -0.124 3.498 -3.958 1.00 1.11 H new ATOM 0 HG13 VAL A 26 0.064 2.033 -2.966 1.00 1.11 H new ATOM 0 HG21 VAL A 26 2.945 1.340 -3.992 1.00 2.05 H new ATOM 0 HG22 VAL A 26 1.659 0.112 -3.906 1.00 2.05 H new ATOM 0 HG23 VAL A 26 2.487 0.426 -5.449 1.00 2.05 H new ATOM 392 N THR A 27 -2.205 2.509 -5.605 1.00 63.52 N ATOM 393 CA THR A 27 -3.302 3.276 -6.176 1.00 44.11 C ATOM 394 C THR A 27 -4.079 3.870 -4.996 1.00 54.25 C ATOM 395 O THR A 27 -4.270 3.176 -3.994 1.00 15.52 O ATOM 396 CB THR A 27 -4.142 2.296 -7.019 1.00 4.51 C ATOM 397 OG1 THR A 27 -3.326 1.518 -7.884 1.00 33.33 O ATOM 398 CG2 THR A 27 -5.187 2.976 -7.874 1.00 71.25 C ATOM 0 H THR A 27 -2.409 2.143 -4.675 1.00 63.52 H new ATOM 0 HA THR A 27 -2.988 4.093 -6.825 1.00 44.11 H new ATOM 0 HB THR A 27 -4.643 1.666 -6.284 1.00 4.51 H new ATOM 0 HG1 THR A 27 -3.889 0.906 -8.403 1.00 33.33 H new ATOM 0 HG21 THR A 27 -5.739 2.225 -8.439 1.00 71.25 H new ATOM 0 HG22 THR A 27 -5.876 3.529 -7.236 1.00 71.25 H new ATOM 0 HG23 THR A 27 -4.700 3.665 -8.565 1.00 71.25 H new ATOM 406 N TRP A 28 -4.463 5.147 -5.064 1.00 1.25 N ATOM 407 CA TRP A 28 -5.011 5.899 -3.926 1.00 14.30 C ATOM 408 C TRP A 28 -6.117 6.874 -4.359 1.00 21.35 C ATOM 409 O TRP A 28 -6.381 7.875 -3.689 1.00 2.21 O ATOM 410 CB TRP A 28 -3.857 6.601 -3.187 1.00 45.02 C ATOM 411 CG TRP A 28 -3.028 7.553 -3.994 1.00 3.33 C ATOM 412 CD1 TRP A 28 -3.154 8.897 -4.015 1.00 32.51 C ATOM 413 CD2 TRP A 28 -1.896 7.256 -4.856 1.00 1.40 C ATOM 414 NE1 TRP A 28 -2.243 9.441 -4.893 1.00 35.24 N ATOM 415 CE2 TRP A 28 -1.445 8.470 -5.451 1.00 45.31 C ATOM 416 CE3 TRP A 28 -1.194 6.081 -5.178 1.00 14.14 C ATOM 417 CZ2 TRP A 28 -0.408 8.507 -6.392 1.00 34.51 C ATOM 418 CZ3 TRP A 28 -0.100 6.116 -6.056 1.00 15.50 C ATOM 419 CH2 TRP A 28 0.285 7.319 -6.677 1.00 1.33 C ATOM 0 H TRP A 28 -4.402 5.697 -5.921 1.00 1.25 H new ATOM 0 HA TRP A 28 -5.493 5.206 -3.236 1.00 14.30 H new ATOM 0 HB2 TRP A 28 -4.275 7.146 -2.340 1.00 45.02 H new ATOM 0 HB3 TRP A 28 -3.197 5.835 -2.779 1.00 45.02 H new ATOM 0 HD1 TRP A 28 -3.864 9.462 -3.430 1.00 32.51 H new ATOM 0 HE1 TRP A 28 -2.170 10.437 -5.103 1.00 35.24 H new ATOM 0 HE3 TRP A 28 -1.500 5.141 -4.744 1.00 14.14 H new ATOM 0 HZ2 TRP A 28 -0.147 9.430 -6.888 1.00 34.51 H new ATOM 0 HZ3 TRP A 28 0.453 5.210 -6.257 1.00 15.50 H new ATOM 0 HH2 TRP A 28 1.112 7.329 -7.372 1.00 1.33 H new ATOM 429 N ASN A 29 -6.735 6.623 -5.509 1.00 33.15 N ATOM 430 CA ASN A 29 -7.849 7.373 -6.082 1.00 11.00 C ATOM 431 C ASN A 29 -8.432 6.596 -7.266 1.00 41.13 C ATOM 432 O ASN A 29 -8.420 5.362 -7.240 1.00 2.50 O ATOM 433 CB ASN A 29 -7.506 8.846 -6.392 1.00 3.04 C ATOM 434 CG ASN A 29 -8.627 9.704 -5.820 1.00 14.02 C ATOM 435 OD1 ASN A 29 -9.595 10.029 -6.501 1.00 73.24 O ATOM 436 ND2 ASN A 29 -8.563 10.001 -4.535 1.00 52.22 N ATOM 0 H ASN A 29 -6.454 5.842 -6.103 1.00 33.15 H new ATOM 0 HA ASN A 29 -8.632 7.460 -5.329 1.00 11.00 H new ATOM 0 HB2 ASN A 29 -6.549 9.119 -5.948 1.00 3.04 H new ATOM 0 HB3 ASN A 29 -7.414 9.001 -7.467 1.00 3.04 H new ATOM 0 HD21 ASN A 29 -9.327 10.510 -4.090 1.00 52.22 H new ATOM 0 HD22 ASN A 29 -7.749 9.722 -3.987 1.00 52.22 H new ATOM 442 N ASP A 30 -9.050 7.280 -8.233 1.00 33.11 N ATOM 443 CA ASP A 30 -9.592 6.692 -9.462 1.00 24.14 C ATOM 444 C ASP A 30 -8.617 6.759 -10.660 1.00 54.33 C ATOM 445 O ASP A 30 -9.030 6.484 -11.786 1.00 4.44 O ATOM 446 CB ASP A 30 -10.967 7.324 -9.771 1.00 60.52 C ATOM 447 CG ASP A 30 -12.064 6.274 -9.962 1.00 31.22 C ATOM 448 OD1 ASP A 30 -12.184 5.376 -9.095 1.00 51.03 O ATOM 449 OD2 ASP A 30 -12.874 6.382 -10.914 1.00 63.33 O ATOM 0 H ASP A 30 -9.191 8.289 -8.181 1.00 33.11 H new ATOM 0 HA ASP A 30 -9.730 5.624 -9.291 1.00 24.14 H new ATOM 0 HB2 ASP A 30 -11.247 7.993 -8.958 1.00 60.52 H new ATOM 0 HB3 ASP A 30 -10.890 7.932 -10.672 1.00 60.52 H new ATOM 453 N GLY A 31 -7.329 7.095 -10.469 1.00 71.42 N ATOM 454 CA GLY A 31 -6.306 7.012 -11.527 1.00 42.21 C ATOM 455 C GLY A 31 -4.862 7.395 -11.133 1.00 40.32 C ATOM 456 O GLY A 31 -3.925 7.180 -11.915 1.00 34.55 O ATOM 0 H GLY A 31 -6.968 7.432 -9.577 1.00 71.42 H new ATOM 0 HA2 GLY A 31 -6.294 5.991 -11.909 1.00 42.21 H new ATOM 0 HA3 GLY A 31 -6.616 7.656 -12.350 1.00 42.21 H new ATOM 460 N LYS A 32 -4.650 7.997 -9.957 1.00 2.54 N ATOM 461 CA LYS A 32 -3.354 8.231 -9.345 1.00 13.04 C ATOM 462 C LYS A 32 -2.788 6.909 -8.844 1.00 41.32 C ATOM 463 O LYS A 32 -3.310 6.313 -7.895 1.00 32.21 O ATOM 464 CB LYS A 32 -3.517 9.253 -8.207 1.00 62.25 C ATOM 465 CG LYS A 32 -2.617 10.477 -8.399 1.00 23.41 C ATOM 466 CD LYS A 32 -3.047 11.313 -9.606 1.00 23.15 C ATOM 467 CE LYS A 32 -2.306 12.647 -9.695 1.00 63.41 C ATOM 468 NZ LYS A 32 -2.621 13.362 -10.942 1.00 34.55 N ATOM 0 H LYS A 32 -5.419 8.348 -9.386 1.00 2.54 H new ATOM 0 HA LYS A 32 -2.651 8.640 -10.071 1.00 13.04 H new ATOM 0 HB2 LYS A 32 -4.558 9.573 -8.154 1.00 62.25 H new ATOM 0 HB3 LYS A 32 -3.282 8.776 -7.256 1.00 62.25 H new ATOM 0 HG2 LYS A 32 -2.645 11.094 -7.501 1.00 23.41 H new ATOM 0 HG3 LYS A 32 -1.585 10.152 -8.530 1.00 23.41 H new ATOM 0 HD2 LYS A 32 -2.871 10.743 -10.518 1.00 23.15 H new ATOM 0 HD3 LYS A 32 -4.119 11.501 -9.549 1.00 23.15 H new ATOM 0 HE2 LYS A 32 -2.573 13.269 -8.841 1.00 63.41 H new ATOM 0 HE3 LYS A 32 -1.232 12.471 -9.638 1.00 63.41 H new ATOM 0 HZ1 LYS A 32 -2.100 14.262 -10.967 1.00 34.55 H new ATOM 0 HZ2 LYS A 32 -2.343 12.778 -11.757 1.00 34.55 H new ATOM 0 HZ3 LYS A 32 -3.643 13.552 -10.985 1.00 34.55 H new ATOM 478 N GLU A 33 -1.757 6.423 -9.514 1.00 63.55 N ATOM 479 CA GLU A 33 -1.087 5.180 -9.194 1.00 53.23 C ATOM 480 C GLU A 33 0.372 5.274 -9.597 1.00 41.43 C ATOM 481 O GLU A 33 0.746 6.105 -10.433 1.00 22.22 O ATOM 482 CB GLU A 33 -1.796 3.977 -9.835 1.00 53.14 C ATOM 483 CG GLU A 33 -2.230 4.082 -11.301 1.00 51.12 C ATOM 484 CD GLU A 33 -3.641 3.525 -11.530 1.00 73.21 C ATOM 485 OE1 GLU A 33 -4.614 4.134 -11.036 1.00 60.53 O ATOM 486 OE2 GLU A 33 -3.742 2.474 -12.209 1.00 43.53 O ATOM 0 H GLU A 33 -1.353 6.900 -10.320 1.00 63.55 H new ATOM 0 HA GLU A 33 -1.132 5.016 -8.117 1.00 53.23 H new ATOM 0 HB2 GLU A 33 -1.134 3.116 -9.746 1.00 53.14 H new ATOM 0 HB3 GLU A 33 -2.684 3.760 -9.241 1.00 53.14 H new ATOM 0 HG2 GLU A 33 -2.198 5.126 -11.613 1.00 51.12 H new ATOM 0 HG3 GLU A 33 -1.521 3.540 -11.927 1.00 51.12 H new ATOM 491 N GLN A 34 1.190 4.427 -8.985 1.00 20.53 N ATOM 492 CA GLN A 34 2.627 4.321 -9.214 1.00 74.51 C ATOM 493 C GLN A 34 3.054 2.872 -8.963 1.00 52.12 C ATOM 494 O GLN A 34 2.209 2.038 -8.610 1.00 2.44 O ATOM 495 CB GLN A 34 3.380 5.361 -8.352 1.00 25.35 C ATOM 496 CG GLN A 34 3.441 5.080 -6.837 1.00 15.44 C ATOM 497 CD GLN A 34 4.486 4.031 -6.469 1.00 14.05 C ATOM 498 OE1 GLN A 34 4.163 2.943 -6.011 1.00 1.31 O ATOM 499 NE2 GLN A 34 5.746 4.298 -6.745 1.00 52.02 N ATOM 0 H GLN A 34 0.856 3.765 -8.284 1.00 20.53 H new ATOM 0 HA GLN A 34 2.885 4.557 -10.246 1.00 74.51 H new ATOM 0 HB2 GLN A 34 4.401 5.440 -8.726 1.00 25.35 H new ATOM 0 HB3 GLN A 34 2.910 6.333 -8.501 1.00 25.35 H new ATOM 0 HG2 GLN A 34 3.663 6.007 -6.309 1.00 15.44 H new ATOM 0 HG3 GLN A 34 2.462 4.745 -6.495 1.00 15.44 H new ATOM 0 HE21 GLN A 34 6.003 5.209 -7.126 1.00 52.02 H new ATOM 0 HE22 GLN A 34 6.465 3.594 -6.577 1.00 52.02 H new ATOM 506 N THR A 35 4.342 2.567 -9.131 1.00 61.13 N ATOM 507 CA THR A 35 4.870 1.238 -8.871 1.00 32.53 C ATOM 508 C THR A 35 6.089 1.297 -7.958 1.00 3.04 C ATOM 509 O THR A 35 7.028 2.055 -8.226 1.00 2.52 O ATOM 510 CB THR A 35 5.183 0.533 -10.195 1.00 32.43 C ATOM 511 OG1 THR A 35 6.145 1.260 -10.935 1.00 53.14 O ATOM 512 CG2 THR A 35 3.917 0.426 -11.040 1.00 53.03 C ATOM 0 H THR A 35 5.042 3.236 -9.450 1.00 61.13 H new ATOM 0 HA THR A 35 4.113 0.655 -8.346 1.00 32.53 H new ATOM 0 HB THR A 35 5.571 -0.458 -9.962 1.00 32.43 H new ATOM 0 HG1 THR A 35 6.649 1.844 -10.331 1.00 53.14 H new ATOM 0 HG21 THR A 35 4.148 -0.076 -11.979 1.00 53.03 H new ATOM 0 HG22 THR A 35 3.165 -0.147 -10.498 1.00 53.03 H new ATOM 0 HG23 THR A 35 3.533 1.425 -11.247 1.00 53.03 H new ATOM 520 N VAL A 36 6.111 0.474 -6.913 1.00 11.03 N ATOM 521 CA VAL A 36 7.317 0.235 -6.139 1.00 3.23 C ATOM 522 C VAL A 36 8.205 -0.662 -6.987 1.00 54.41 C ATOM 523 O VAL A 36 7.710 -1.649 -7.545 1.00 75.15 O ATOM 524 CB VAL A 36 6.981 -0.429 -4.794 1.00 3.11 C ATOM 525 CG1 VAL A 36 8.228 -0.631 -3.921 1.00 54.33 C ATOM 526 CG2 VAL A 36 5.977 0.422 -4.013 1.00 41.52 C ATOM 0 H VAL A 36 5.295 -0.042 -6.583 1.00 11.03 H new ATOM 0 HA VAL A 36 7.824 1.171 -5.904 1.00 3.23 H new ATOM 0 HB VAL A 36 6.554 -1.405 -5.026 1.00 3.11 H new ATOM 0 HG11 VAL A 36 7.942 -1.103 -2.981 1.00 54.33 H new ATOM 0 HG12 VAL A 36 8.940 -1.269 -4.445 1.00 54.33 H new ATOM 0 HG13 VAL A 36 8.689 0.335 -3.716 1.00 54.33 H new ATOM 0 HG21 VAL A 36 5.750 -0.063 -3.063 1.00 41.52 H new ATOM 0 HG22 VAL A 36 6.404 1.407 -3.825 1.00 41.52 H new ATOM 0 HG23 VAL A 36 5.061 0.529 -4.594 1.00 41.52 H new ATOM 536 N ASN A 37 9.497 -0.326 -7.036 1.00 32.52 N ATOM 537 CA ASN A 37 10.542 -1.132 -7.643 1.00 32.11 C ATOM 538 C ASN A 37 10.563 -2.495 -6.967 1.00 2.11 C ATOM 539 O ASN A 37 9.962 -3.432 -7.484 1.00 4.13 O ATOM 540 CB ASN A 37 11.899 -0.418 -7.555 1.00 5.02 C ATOM 541 CG ASN A 37 13.005 -1.249 -8.199 1.00 4.00 C ATOM 542 OD1 ASN A 37 13.890 -1.851 -7.420 1.00 52.24 O flip ATOM 543 ND2 ASN A 37 13.063 -1.343 -9.417 1.00 61.23 N flip ATOM 0 H ASN A 37 9.849 0.545 -6.639 1.00 32.52 H new ATOM 0 HA ASN A 37 10.337 -1.275 -8.704 1.00 32.11 H new ATOM 0 HB2 ASN A 37 11.835 0.552 -8.049 1.00 5.02 H new ATOM 0 HB3 ASN A 37 12.145 -0.228 -6.510 1.00 5.02 H new ATOM 0 HD21 ASN A 37 12.371 -0.871 -9.998 1.00 61.23 H new ATOM 0 HD22 ASN A 37 13.804 -1.894 -9.851 1.00 61.23 H new ATOM 549 N THR A 38 11.210 -2.621 -5.811 1.00 4.04 N ATOM 550 CA THR A 38 11.382 -3.888 -5.123 1.00 40.04 C ATOM 551 C THR A 38 11.329 -3.623 -3.616 1.00 0.10 C ATOM 552 O THR A 38 11.579 -2.500 -3.162 1.00 12.20 O ATOM 553 CB THR A 38 12.692 -4.540 -5.627 1.00 20.35 C ATOM 554 OG1 THR A 38 12.747 -4.589 -7.038 1.00 1.44 O ATOM 555 CG2 THR A 38 12.912 -5.979 -5.177 1.00 11.23 C ATOM 0 H THR A 38 11.634 -1.832 -5.323 1.00 4.04 H new ATOM 0 HA THR A 38 10.587 -4.604 -5.335 1.00 40.04 H new ATOM 0 HB THR A 38 13.457 -3.897 -5.192 1.00 20.35 H new ATOM 0 HG1 THR A 38 13.168 -3.772 -7.378 1.00 1.44 H new ATOM 0 HG21 THR A 38 13.855 -6.346 -5.581 1.00 11.23 H new ATOM 0 HG22 THR A 38 12.943 -6.019 -4.088 1.00 11.23 H new ATOM 0 HG23 THR A 38 12.095 -6.603 -5.539 1.00 11.23 H new ATOM 563 N LEU A 39 10.962 -4.643 -2.842 1.00 62.24 N ATOM 564 CA LEU A 39 10.837 -4.625 -1.391 1.00 43.44 C ATOM 565 C LEU A 39 11.192 -6.026 -0.917 1.00 11.12 C ATOM 566 O LEU A 39 10.479 -6.989 -1.207 1.00 0.40 O ATOM 567 CB LEU A 39 9.412 -4.205 -0.970 1.00 61.41 C ATOM 568 CG LEU A 39 9.252 -3.057 0.044 1.00 34.33 C ATOM 569 CD1 LEU A 39 10.121 -1.835 -0.273 1.00 34.33 C ATOM 570 CD2 LEU A 39 7.794 -2.592 0.074 1.00 22.24 C ATOM 0 H LEU A 39 10.731 -5.555 -3.236 1.00 62.24 H new ATOM 0 HA LEU A 39 11.505 -3.894 -0.935 1.00 43.44 H new ATOM 0 HB2 LEU A 39 8.868 -3.927 -1.873 1.00 61.41 H new ATOM 0 HB3 LEU A 39 8.916 -5.083 -0.557 1.00 61.41 H new ATOM 0 HG LEU A 39 9.572 -3.461 1.005 1.00 34.33 H new ATOM 0 HD11 LEU A 39 9.957 -1.066 0.482 1.00 34.33 H new ATOM 0 HD12 LEU A 39 11.172 -2.126 -0.273 1.00 34.33 H new ATOM 0 HD13 LEU A 39 9.853 -1.443 -1.254 1.00 34.33 H new ATOM 0 HD21 LEU A 39 7.686 -1.780 0.793 1.00 22.24 H new ATOM 0 HD22 LEU A 39 7.504 -2.241 -0.916 1.00 22.24 H new ATOM 0 HD23 LEU A 39 7.153 -3.423 0.367 1.00 22.24 H new ATOM 581 N GLY A 40 12.330 -6.128 -0.241 1.00 1.41 N ATOM 582 CA GLY A 40 12.803 -7.346 0.392 1.00 22.23 C ATOM 583 C GLY A 40 11.868 -7.773 1.522 1.00 15.50 C ATOM 584 O GLY A 40 10.955 -7.038 1.904 1.00 24.41 O ATOM 0 H GLY A 40 12.966 -5.340 -0.116 1.00 1.41 H new ATOM 0 HA2 GLY A 40 12.871 -8.142 -0.349 1.00 22.23 H new ATOM 0 HA3 GLY A 40 13.807 -7.189 0.785 1.00 22.23 H new ATOM 588 N SER A 41 12.090 -8.952 2.093 1.00 53.12 N ATOM 589 CA SER A 41 11.400 -9.376 3.302 1.00 4.34 C ATOM 590 C SER A 41 11.682 -8.357 4.416 1.00 13.03 C ATOM 591 O SER A 41 12.835 -7.976 4.634 1.00 52.22 O ATOM 592 CB SER A 41 11.833 -10.801 3.677 1.00 0.21 C ATOM 593 OG SER A 41 13.138 -11.113 3.203 1.00 13.20 O ATOM 0 H SER A 41 12.752 -9.638 1.730 1.00 53.12 H new ATOM 0 HA SER A 41 10.322 -9.407 3.143 1.00 4.34 H new ATOM 0 HB2 SER A 41 11.807 -10.913 4.761 1.00 0.21 H new ATOM 0 HB3 SER A 41 11.119 -11.515 3.266 1.00 0.21 H new ATOM 0 HG SER A 41 13.372 -12.028 3.466 1.00 13.20 H new ATOM 598 N HIS A 42 10.619 -7.895 5.081 1.00 41.05 N ATOM 599 CA HIS A 42 10.593 -6.818 6.068 1.00 2.32 C ATOM 600 C HIS A 42 11.215 -5.495 5.575 1.00 21.54 C ATOM 601 O HIS A 42 11.549 -4.634 6.393 1.00 52.41 O ATOM 602 CB HIS A 42 11.120 -7.320 7.424 1.00 33.10 C ATOM 603 CG HIS A 42 10.112 -8.152 8.184 1.00 32.51 C ATOM 604 ND1 HIS A 42 9.403 -7.750 9.299 1.00 43.32 N ATOM 605 CD2 HIS A 42 9.694 -9.417 7.872 1.00 4.15 C ATOM 606 CE1 HIS A 42 8.607 -8.766 9.673 1.00 2.55 C ATOM 607 NE2 HIS A 42 8.774 -9.815 8.847 1.00 44.11 N ATOM 0 H HIS A 42 9.692 -8.293 4.932 1.00 41.05 H new ATOM 0 HA HIS A 42 9.551 -6.537 6.224 1.00 2.32 H new ATOM 0 HB2 HIS A 42 12.020 -7.912 7.260 1.00 33.10 H new ATOM 0 HB3 HIS A 42 11.408 -6.464 8.034 1.00 33.10 H new ATOM 0 HD2 HIS A 42 10.017 -10.003 7.024 1.00 4.15 H new ATOM 0 HE1 HIS A 42 7.931 -8.744 10.515 1.00 2.55 H new ATOM 0 HE2 HIS A 42 8.318 -10.725 8.918 1.00 44.11 H new ATOM 614 N ASP A 43 11.343 -5.301 4.257 1.00 3.13 N ATOM 615 CA ASP A 43 11.638 -3.989 3.685 1.00 45.42 C ATOM 616 C ASP A 43 10.425 -3.079 3.809 1.00 51.34 C ATOM 617 O ASP A 43 9.300 -3.503 4.101 1.00 74.25 O ATOM 618 CB ASP A 43 12.073 -4.100 2.214 1.00 23.20 C ATOM 619 CG ASP A 43 12.939 -2.977 1.641 1.00 63.22 C ATOM 620 OD1 ASP A 43 13.169 -1.950 2.305 1.00 21.13 O ATOM 621 OD2 ASP A 43 13.416 -3.141 0.491 1.00 3.13 O ATOM 0 H ASP A 43 11.245 -6.044 3.565 1.00 3.13 H new ATOM 0 HA ASP A 43 12.468 -3.558 4.245 1.00 45.42 H new ATOM 0 HB2 ASP A 43 12.617 -5.037 2.095 1.00 23.20 H new ATOM 0 HB3 ASP A 43 11.173 -4.174 1.603 1.00 23.20 H new ATOM 625 N SER A 44 10.662 -1.813 3.519 1.00 24.21 N ATOM 626 CA SER A 44 9.644 -0.779 3.480 1.00 2.25 C ATOM 627 C SER A 44 10.105 0.418 2.659 1.00 24.44 C ATOM 628 O SER A 44 11.295 0.618 2.429 1.00 5.52 O ATOM 629 CB SER A 44 9.280 -0.345 4.908 1.00 13.41 C ATOM 630 OG SER A 44 10.401 0.180 5.595 1.00 34.51 O ATOM 0 H SER A 44 11.595 -1.466 3.298 1.00 24.21 H new ATOM 0 HA SER A 44 8.757 -1.191 2.998 1.00 2.25 H new ATOM 0 HB2 SER A 44 8.491 0.406 4.871 1.00 13.41 H new ATOM 0 HB3 SER A 44 8.882 -1.198 5.458 1.00 13.41 H new ATOM 0 HG SER A 44 10.135 0.448 6.499 1.00 34.51 H new ATOM 635 N ILE A 45 9.158 1.266 2.271 1.00 75.15 N ATOM 636 CA ILE A 45 9.446 2.536 1.619 1.00 11.34 C ATOM 637 C ILE A 45 8.267 3.475 1.778 1.00 2.40 C ATOM 638 O ILE A 45 7.118 3.075 1.609 1.00 11.40 O ATOM 639 CB ILE A 45 9.818 2.329 0.137 1.00 20.43 C ATOM 640 CG1 ILE A 45 10.153 3.708 -0.459 1.00 62.41 C ATOM 641 CG2 ILE A 45 8.738 1.576 -0.666 1.00 35.40 C ATOM 642 CD1 ILE A 45 10.713 3.611 -1.862 1.00 34.45 C ATOM 0 H ILE A 45 8.162 1.089 2.402 1.00 75.15 H new ATOM 0 HA ILE A 45 10.311 2.992 2.100 1.00 11.34 H new ATOM 0 HB ILE A 45 10.689 1.677 0.073 1.00 20.43 H new ATOM 0 HG12 ILE A 45 9.253 4.323 -0.472 1.00 62.41 H new ATOM 0 HG13 ILE A 45 10.875 4.212 0.183 1.00 62.41 H new ATOM 0 HG21 ILE A 45 9.065 1.465 -1.700 1.00 35.40 H new ATOM 0 HG22 ILE A 45 8.580 0.591 -0.228 1.00 35.40 H new ATOM 0 HG23 ILE A 45 7.805 2.139 -0.639 1.00 35.40 H new ATOM 0 HD11 ILE A 45 10.932 4.611 -2.236 1.00 34.45 H new ATOM 0 HD12 ILE A 45 11.629 3.020 -1.848 1.00 34.45 H new ATOM 0 HD13 ILE A 45 9.982 3.132 -2.513 1.00 34.45 H new ATOM 653 N ASP A 46 8.570 4.720 2.107 1.00 20.20 N ATOM 654 CA ASP A 46 7.651 5.818 2.273 1.00 72.42 C ATOM 655 C ASP A 46 7.778 6.722 1.073 1.00 73.21 C ATOM 656 O ASP A 46 8.748 7.475 0.940 1.00 61.42 O ATOM 657 CB ASP A 46 7.878 6.592 3.567 1.00 15.01 C ATOM 658 CG ASP A 46 9.283 7.137 3.839 1.00 53.53 C ATOM 659 OD1 ASP A 46 10.290 6.427 3.626 1.00 65.15 O ATOM 660 OD2 ASP A 46 9.359 8.250 4.420 1.00 63.34 O ATOM 0 H ASP A 46 9.535 5.003 2.276 1.00 20.20 H new ATOM 0 HA ASP A 46 6.640 5.417 2.345 1.00 72.42 H new ATOM 0 HB2 ASP A 46 7.185 7.433 3.579 1.00 15.01 H new ATOM 0 HB3 ASP A 46 7.605 5.942 4.398 1.00 15.01 H new ATOM 664 N PHE A 47 6.765 6.644 0.214 1.00 40.33 N ATOM 665 CA PHE A 47 6.677 7.592 -0.922 1.00 41.15 C ATOM 666 C PHE A 47 5.350 8.348 -0.906 1.00 73.33 C ATOM 667 O PHE A 47 4.356 7.871 -0.365 1.00 2.11 O ATOM 668 CB PHE A 47 6.974 6.942 -2.287 1.00 74.13 C ATOM 669 CG PHE A 47 6.082 5.779 -2.623 1.00 4.44 C ATOM 670 CD1 PHE A 47 4.813 5.998 -3.188 1.00 1.42 C ATOM 671 CD2 PHE A 47 6.481 4.488 -2.243 1.00 32.24 C ATOM 672 CE1 PHE A 47 3.916 4.924 -3.313 1.00 13.30 C ATOM 673 CE2 PHE A 47 5.575 3.422 -2.345 1.00 13.00 C ATOM 674 CZ PHE A 47 4.291 3.653 -2.857 1.00 11.15 C ATOM 0 H PHE A 47 6.009 5.961 0.268 1.00 40.33 H new ATOM 0 HA PHE A 47 7.473 8.323 -0.781 1.00 41.15 H new ATOM 0 HB2 PHE A 47 6.875 7.698 -3.066 1.00 74.13 H new ATOM 0 HB3 PHE A 47 8.011 6.606 -2.299 1.00 74.13 H new ATOM 0 HD1 PHE A 47 4.530 6.985 -3.523 1.00 1.42 H new ATOM 0 HD2 PHE A 47 7.481 4.316 -1.874 1.00 32.24 H new ATOM 0 HE1 PHE A 47 2.944 5.077 -3.758 1.00 13.30 H new ATOM 0 HE2 PHE A 47 5.865 2.430 -2.031 1.00 13.00 H new ATOM 0 HZ PHE A 47 3.581 2.840 -2.901 1.00 11.15 H new ATOM 683 N SER A 48 5.336 9.546 -1.486 1.00 42.43 N ATOM 684 CA SER A 48 4.268 10.529 -1.376 1.00 1.10 C ATOM 685 C SER A 48 3.146 10.276 -2.389 1.00 44.43 C ATOM 686 O SER A 48 3.224 9.339 -3.188 1.00 32.34 O ATOM 687 CB SER A 48 4.932 11.893 -1.574 1.00 32.13 C ATOM 688 OG SER A 48 4.135 12.962 -1.113 1.00 21.11 O ATOM 0 H SER A 48 6.106 9.870 -2.072 1.00 42.43 H new ATOM 0 HA SER A 48 3.779 10.472 -0.404 1.00 1.10 H new ATOM 0 HB2 SER A 48 5.888 11.906 -1.050 1.00 32.13 H new ATOM 0 HB3 SER A 48 5.147 12.037 -2.633 1.00 32.13 H new ATOM 0 HG SER A 48 4.606 13.809 -1.261 1.00 21.11 H new ATOM 693 N SER A 49 2.126 11.131 -2.389 1.00 43.14 N ATOM 694 CA SER A 49 1.038 11.142 -3.339 1.00 11.13 C ATOM 695 C SER A 49 0.903 12.551 -3.904 1.00 13.52 C ATOM 696 O SER A 49 1.183 13.538 -3.217 1.00 3.01 O ATOM 697 CB SER A 49 -0.244 10.713 -2.621 1.00 32.44 C ATOM 698 OG SER A 49 -0.547 11.514 -1.493 1.00 22.43 O ATOM 0 H SER A 49 2.040 11.867 -1.688 1.00 43.14 H new ATOM 0 HA SER A 49 1.226 10.450 -4.160 1.00 11.13 H new ATOM 0 HB2 SER A 49 -1.077 10.755 -3.323 1.00 32.44 H new ATOM 0 HB3 SER A 49 -0.146 9.674 -2.305 1.00 32.44 H new ATOM 0 HG SER A 49 0.189 11.463 -0.848 1.00 22.43 H new ATOM 703 N ASP A 50 0.370 12.667 -5.118 1.00 0.04 N ATOM 704 CA ASP A 50 -0.093 13.933 -5.692 1.00 14.21 C ATOM 705 C ASP A 50 -1.426 14.396 -5.088 1.00 51.31 C ATOM 706 O ASP A 50 -2.219 15.045 -5.766 1.00 22.40 O ATOM 707 CB ASP A 50 -0.217 13.791 -7.211 1.00 43.31 C ATOM 708 CG ASP A 50 -0.308 15.167 -7.889 1.00 52.11 C ATOM 709 OD1 ASP A 50 0.554 16.033 -7.590 1.00 31.51 O ATOM 710 OD2 ASP A 50 -1.159 15.356 -8.794 1.00 20.20 O ATOM 0 H ASP A 50 0.244 11.871 -5.743 1.00 0.04 H new ATOM 0 HA ASP A 50 0.646 14.697 -5.450 1.00 14.21 H new ATOM 0 HB2 ASP A 50 0.643 13.247 -7.600 1.00 43.31 H new ATOM 0 HB3 ASP A 50 -1.102 13.203 -7.453 1.00 43.31 H new ATOM 714 N ALA A 51 -1.743 13.990 -3.861 1.00 35.53 N ATOM 715 CA ALA A 51 -3.046 14.158 -3.247 1.00 42.24 C ATOM 716 C ALA A 51 -2.895 14.887 -1.920 1.00 52.24 C ATOM 717 O ALA A 51 -1.854 14.807 -1.259 1.00 65.45 O ATOM 718 CB ALA A 51 -3.686 12.778 -3.065 1.00 54.01 C ATOM 0 H ALA A 51 -1.074 13.520 -3.251 1.00 35.53 H new ATOM 0 HA ALA A 51 -3.696 14.760 -3.883 1.00 42.24 H new ATOM 0 HB1 ALA A 51 -4.667 12.890 -2.604 1.00 54.01 H new ATOM 0 HB2 ALA A 51 -3.795 12.296 -4.037 1.00 54.01 H new ATOM 0 HB3 ALA A 51 -3.052 12.165 -2.425 1.00 54.01 H new ATOM 724 N GLY A 52 -3.964 15.572 -1.527 1.00 22.34 N ATOM 725 CA GLY A 52 -4.088 16.205 -0.229 1.00 1.45 C ATOM 726 C GLY A 52 -4.735 15.277 0.787 1.00 3.30 C ATOM 727 O GLY A 52 -4.408 15.346 1.972 1.00 71.25 O ATOM 0 H GLY A 52 -4.784 15.702 -2.119 1.00 22.34 H new ATOM 0 HA2 GLY A 52 -3.102 16.504 0.126 1.00 1.45 H new ATOM 0 HA3 GLY A 52 -4.682 17.114 -0.322 1.00 1.45 H new ATOM 731 N SER A 53 -5.647 14.412 0.352 1.00 73.22 N ATOM 732 CA SER A 53 -6.248 13.400 1.199 1.00 43.31 C ATOM 733 C SER A 53 -6.650 12.207 0.342 1.00 72.44 C ATOM 734 O SER A 53 -6.987 12.368 -0.835 1.00 64.44 O ATOM 735 CB SER A 53 -7.443 13.970 1.988 1.00 24.14 C ATOM 736 OG SER A 53 -8.268 14.850 1.229 1.00 35.32 O ATOM 0 H SER A 53 -5.989 14.398 -0.609 1.00 73.22 H new ATOM 0 HA SER A 53 -5.520 13.069 1.939 1.00 43.31 H new ATOM 0 HB2 SER A 53 -8.051 13.143 2.355 1.00 24.14 H new ATOM 0 HB3 SER A 53 -7.068 14.502 2.862 1.00 24.14 H new ATOM 0 HG SER A 53 -9.005 15.172 1.789 1.00 35.32 H new ATOM 741 N VAL A 54 -6.666 11.025 0.953 1.00 42.43 N ATOM 742 CA VAL A 54 -6.981 9.749 0.329 1.00 3.25 C ATOM 743 C VAL A 54 -8.126 9.139 1.136 1.00 15.11 C ATOM 744 O VAL A 54 -8.120 9.195 2.369 1.00 31.33 O ATOM 745 CB VAL A 54 -5.721 8.850 0.358 1.00 3.15 C ATOM 746 CG1 VAL A 54 -6.001 7.464 -0.243 1.00 1.40 C ATOM 747 CG2 VAL A 54 -4.533 9.484 -0.382 1.00 4.30 C ATOM 0 H VAL A 54 -6.449 10.930 1.945 1.00 42.43 H new ATOM 0 HA VAL A 54 -7.281 9.859 -0.713 1.00 3.25 H new ATOM 0 HB VAL A 54 -5.458 8.742 1.410 1.00 3.15 H new ATOM 0 HG11 VAL A 54 -5.094 6.861 -0.205 1.00 1.40 H new ATOM 0 HG12 VAL A 54 -6.788 6.972 0.329 1.00 1.40 H new ATOM 0 HG13 VAL A 54 -6.321 7.575 -1.279 1.00 1.40 H new ATOM 0 HG21 VAL A 54 -3.674 8.814 -0.333 1.00 4.30 H new ATOM 0 HG22 VAL A 54 -4.802 9.653 -1.425 1.00 4.30 H new ATOM 0 HG23 VAL A 54 -4.279 10.435 0.086 1.00 4.30 H new ATOM 757 N TYR A 55 -9.103 8.534 0.458 1.00 11.20 N ATOM 758 CA TYR A 55 -10.233 7.853 1.093 1.00 34.42 C ATOM 759 C TYR A 55 -10.510 6.470 0.489 1.00 62.52 C ATOM 760 O TYR A 55 -11.512 5.835 0.823 1.00 34.10 O ATOM 761 CB TYR A 55 -11.451 8.779 1.117 1.00 45.24 C ATOM 762 CG TYR A 55 -11.791 9.447 -0.205 1.00 24.42 C ATOM 763 CD1 TYR A 55 -11.909 8.706 -1.398 1.00 44.42 C ATOM 764 CD2 TYR A 55 -11.963 10.839 -0.233 1.00 35.44 C ATOM 765 CE1 TYR A 55 -12.172 9.359 -2.617 1.00 1.34 C ATOM 766 CE2 TYR A 55 -12.245 11.493 -1.440 1.00 42.54 C ATOM 767 CZ TYR A 55 -12.347 10.760 -2.644 1.00 53.23 C ATOM 768 OH TYR A 55 -12.605 11.398 -3.824 1.00 40.33 O ATOM 0 H TYR A 55 -9.132 8.503 -0.561 1.00 11.20 H new ATOM 0 HA TYR A 55 -9.972 7.637 2.129 1.00 34.42 H new ATOM 0 HB2 TYR A 55 -12.316 8.204 1.447 1.00 45.24 H new ATOM 0 HB3 TYR A 55 -11.281 9.555 1.863 1.00 45.24 H new ATOM 0 HD1 TYR A 55 -11.797 7.632 -1.377 1.00 44.42 H new ATOM 0 HD2 TYR A 55 -11.878 11.409 0.680 1.00 35.44 H new ATOM 0 HE1 TYR A 55 -12.240 8.789 -3.532 1.00 1.34 H new ATOM 0 HE2 TYR A 55 -12.385 12.564 -1.450 1.00 42.54 H new ATOM 0 HH TYR A 55 -12.699 12.360 -3.662 1.00 40.33 H new ATOM 777 N LYS A 56 -9.654 5.998 -0.422 1.00 43.43 N ATOM 778 CA LYS A 56 -9.702 4.694 -1.080 1.00 55.05 C ATOM 779 C LYS A 56 -8.274 4.299 -1.416 1.00 45.24 C ATOM 780 O LYS A 56 -7.437 5.178 -1.617 1.00 21.10 O ATOM 781 CB LYS A 56 -10.593 4.769 -2.336 1.00 34.55 C ATOM 782 CG LYS A 56 -10.148 5.794 -3.405 1.00 25.34 C ATOM 783 CD LYS A 56 -11.213 6.030 -4.489 1.00 3.51 C ATOM 784 CE LYS A 56 -11.475 4.805 -5.376 1.00 71.54 C ATOM 785 NZ LYS A 56 -12.549 5.061 -6.362 1.00 55.24 N ATOM 0 H LYS A 56 -8.859 6.554 -0.738 1.00 43.43 H new ATOM 0 HA LYS A 56 -10.141 3.937 -0.429 1.00 55.05 H new ATOM 0 HB2 LYS A 56 -10.627 3.781 -2.796 1.00 34.55 H new ATOM 0 HB3 LYS A 56 -11.609 5.011 -2.026 1.00 34.55 H new ATOM 0 HG2 LYS A 56 -9.916 6.741 -2.918 1.00 25.34 H new ATOM 0 HG3 LYS A 56 -9.229 5.444 -3.876 1.00 25.34 H new ATOM 0 HD2 LYS A 56 -12.146 6.327 -4.010 1.00 3.51 H new ATOM 0 HD3 LYS A 56 -10.899 6.863 -5.119 1.00 3.51 H new ATOM 0 HE2 LYS A 56 -10.559 4.532 -5.899 1.00 71.54 H new ATOM 0 HE3 LYS A 56 -11.750 3.956 -4.751 1.00 71.54 H new ATOM 0 HZ1 LYS A 56 -13.218 4.264 -6.362 1.00 55.24 H new ATOM 0 HZ2 LYS A 56 -13.052 5.935 -6.108 1.00 55.24 H new ATOM 0 HZ3 LYS A 56 -12.133 5.163 -7.310 1.00 55.24 H new ATOM 795 N MET A 57 -7.981 3.003 -1.425 1.00 25.24 N ATOM 796 CA MET A 57 -6.646 2.514 -1.741 1.00 34.10 C ATOM 797 C MET A 57 -6.776 1.165 -2.424 1.00 72.53 C ATOM 798 O MET A 57 -7.450 0.269 -1.924 1.00 35.31 O ATOM 799 CB MET A 57 -5.779 2.466 -0.472 1.00 4.21 C ATOM 800 CG MET A 57 -4.405 1.832 -0.732 1.00 51.51 C ATOM 801 SD MET A 57 -3.059 2.487 0.284 1.00 53.33 S ATOM 802 CE MET A 57 -2.689 3.983 -0.673 1.00 34.44 C ATOM 0 H MET A 57 -8.657 2.268 -1.215 1.00 25.24 H new ATOM 0 HA MET A 57 -6.138 3.191 -2.427 1.00 34.10 H new ATOM 0 HB2 MET A 57 -5.644 3.477 -0.088 1.00 4.21 H new ATOM 0 HB3 MET A 57 -6.299 1.899 0.300 1.00 4.21 H new ATOM 0 HG2 MET A 57 -4.479 0.758 -0.563 1.00 51.51 H new ATOM 0 HG3 MET A 57 -4.149 1.972 -1.782 1.00 51.51 H new ATOM 0 HE1 MET A 57 -1.839 4.499 -0.227 1.00 34.44 H new ATOM 0 HE2 MET A 57 -2.448 3.708 -1.700 1.00 34.44 H new ATOM 0 HE3 MET A 57 -3.557 4.642 -0.668 1.00 34.44 H new ATOM 810 N ASP A 58 -6.107 0.997 -3.553 1.00 32.10 N ATOM 811 CA ASP A 58 -6.152 -0.199 -4.374 1.00 11.13 C ATOM 812 C ASP A 58 -4.724 -0.719 -4.430 1.00 0.33 C ATOM 813 O ASP A 58 -3.859 -0.140 -5.082 1.00 62.33 O ATOM 814 CB ASP A 58 -6.730 0.115 -5.762 1.00 22.33 C ATOM 815 CG ASP A 58 -8.179 -0.326 -5.920 1.00 21.20 C ATOM 816 OD1 ASP A 58 -9.082 0.321 -5.351 1.00 24.40 O ATOM 817 OD2 ASP A 58 -8.429 -1.257 -6.716 1.00 33.33 O ATOM 0 H ASP A 58 -5.495 1.718 -3.936 1.00 32.10 H new ATOM 0 HA ASP A 58 -6.811 -0.961 -3.958 1.00 11.13 H new ATOM 0 HB2 ASP A 58 -6.661 1.188 -5.943 1.00 22.33 H new ATOM 0 HB3 ASP A 58 -6.122 -0.376 -6.522 1.00 22.33 H new ATOM 821 N VAL A 59 -4.438 -1.777 -3.683 1.00 21.34 N ATOM 822 CA VAL A 59 -3.147 -2.448 -3.753 1.00 74.11 C ATOM 823 C VAL A 59 -3.296 -3.659 -4.659 1.00 40.44 C ATOM 824 O VAL A 59 -4.334 -4.322 -4.625 1.00 32.12 O ATOM 825 CB VAL A 59 -2.659 -2.859 -2.354 1.00 62.41 C ATOM 826 CG1 VAL A 59 -1.212 -3.361 -2.464 1.00 2.10 C ATOM 827 CG2 VAL A 59 -2.809 -1.698 -1.356 1.00 12.43 C ATOM 0 H VAL A 59 -5.089 -2.192 -3.016 1.00 21.34 H new ATOM 0 HA VAL A 59 -2.397 -1.769 -4.160 1.00 74.11 H new ATOM 0 HB VAL A 59 -3.275 -3.670 -1.966 1.00 62.41 H new ATOM 0 HG11 VAL A 59 -0.853 -3.656 -1.478 1.00 2.10 H new ATOM 0 HG12 VAL A 59 -1.175 -4.219 -3.135 1.00 2.10 H new ATOM 0 HG13 VAL A 59 -0.580 -2.565 -2.857 1.00 2.10 H new ATOM 0 HG21 VAL A 59 -2.457 -2.014 -0.374 1.00 12.43 H new ATOM 0 HG22 VAL A 59 -2.219 -0.847 -1.696 1.00 12.43 H new ATOM 0 HG23 VAL A 59 -3.858 -1.409 -1.289 1.00 12.43 H new ATOM 837 N THR A 60 -2.259 -3.955 -5.435 1.00 23.22 N ATOM 838 CA THR A 60 -2.142 -5.175 -6.209 1.00 33.15 C ATOM 839 C THR A 60 -0.649 -5.328 -6.491 1.00 3.31 C ATOM 840 O THR A 60 0.001 -4.398 -6.976 1.00 2.05 O ATOM 841 CB THR A 60 -3.068 -5.147 -7.444 1.00 20.54 C ATOM 842 OG1 THR A 60 -2.633 -6.005 -8.475 1.00 24.14 O ATOM 843 CG2 THR A 60 -3.282 -3.765 -8.031 1.00 34.30 C ATOM 0 H THR A 60 -1.458 -3.333 -5.543 1.00 23.22 H new ATOM 0 HA THR A 60 -2.490 -6.063 -5.682 1.00 33.15 H new ATOM 0 HB THR A 60 -4.020 -5.500 -7.049 1.00 20.54 H new ATOM 0 HG1 THR A 60 -3.255 -5.950 -9.231 1.00 24.14 H new ATOM 0 HG21 THR A 60 -3.944 -3.835 -8.894 1.00 34.30 H new ATOM 0 HG22 THR A 60 -3.733 -3.116 -7.280 1.00 34.30 H new ATOM 0 HG23 THR A 60 -2.323 -3.349 -8.342 1.00 34.30 H new ATOM 851 N GLY A 61 -0.067 -6.450 -6.083 1.00 74.44 N ATOM 852 CA GLY A 61 1.348 -6.732 -6.280 1.00 74.35 C ATOM 853 C GLY A 61 1.579 -8.229 -6.380 1.00 13.24 C ATOM 854 O GLY A 61 0.632 -9.010 -6.322 1.00 1.11 O ATOM 0 H GLY A 61 -0.570 -7.196 -5.602 1.00 74.44 H new ATOM 0 HA2 GLY A 61 1.700 -6.242 -7.187 1.00 74.35 H new ATOM 0 HA3 GLY A 61 1.926 -6.323 -5.451 1.00 74.35 H new ATOM 858 N THR A 62 2.825 -8.656 -6.587 1.00 31.20 N ATOM 859 CA THR A 62 3.147 -10.066 -6.776 1.00 72.15 C ATOM 860 C THR A 62 4.473 -10.402 -6.090 1.00 25.11 C ATOM 861 O THR A 62 5.410 -9.595 -6.112 1.00 40.02 O ATOM 862 CB THR A 62 3.154 -10.395 -8.283 1.00 1.15 C ATOM 863 OG1 THR A 62 2.041 -9.795 -8.924 1.00 53.14 O ATOM 864 CG2 THR A 62 3.075 -11.885 -8.592 1.00 13.04 C ATOM 0 H THR A 62 3.634 -8.036 -6.628 1.00 31.20 H new ATOM 0 HA THR A 62 2.386 -10.691 -6.309 1.00 72.15 H new ATOM 0 HB THR A 62 4.106 -10.009 -8.647 1.00 1.15 H new ATOM 0 HG1 THR A 62 2.059 -10.011 -9.880 1.00 53.14 H new ATOM 0 HG21 THR A 62 3.085 -12.034 -9.672 1.00 13.04 H new ATOM 0 HG22 THR A 62 3.930 -12.395 -8.148 1.00 13.04 H new ATOM 0 HG23 THR A 62 2.153 -12.294 -8.178 1.00 13.04 H new ATOM 872 N THR A 63 4.524 -11.561 -5.441 1.00 32.21 N ATOM 873 CA THR A 63 5.678 -12.078 -4.718 1.00 31.14 C ATOM 874 C THR A 63 6.758 -12.587 -5.667 1.00 51.11 C ATOM 875 O THR A 63 6.540 -12.702 -6.874 1.00 43.24 O ATOM 876 CB THR A 63 5.237 -13.188 -3.748 1.00 73.32 C ATOM 877 OG1 THR A 63 5.002 -14.400 -4.434 1.00 41.32 O ATOM 878 CG2 THR A 63 3.981 -12.839 -2.950 1.00 34.34 C ATOM 0 H THR A 63 3.725 -12.193 -5.404 1.00 32.21 H new ATOM 0 HA THR A 63 6.112 -11.258 -4.146 1.00 31.14 H new ATOM 0 HB THR A 63 6.065 -13.296 -3.047 1.00 73.32 H new ATOM 0 HG1 THR A 63 4.725 -15.089 -3.795 1.00 41.32 H new ATOM 0 HG21 THR A 63 3.729 -13.667 -2.287 1.00 34.34 H new ATOM 0 HG22 THR A 63 4.164 -11.943 -2.357 1.00 34.34 H new ATOM 0 HG23 THR A 63 3.153 -12.658 -3.635 1.00 34.34 H new ATOM 886 N GLN A 64 7.904 -12.960 -5.095 1.00 45.02 N ATOM 887 CA GLN A 64 8.981 -13.684 -5.751 1.00 73.43 C ATOM 888 C GLN A 64 8.462 -14.925 -6.487 1.00 3.33 C ATOM 889 O GLN A 64 8.914 -15.219 -7.591 1.00 23.21 O ATOM 890 CB GLN A 64 9.994 -14.118 -4.679 1.00 20.32 C ATOM 891 CG GLN A 64 11.398 -14.346 -5.245 1.00 60.43 C ATOM 892 CD GLN A 64 12.184 -13.044 -5.204 1.00 60.33 C ATOM 893 OE1 GLN A 64 11.778 -12.037 -5.785 1.00 0.55 O ATOM 894 NE2 GLN A 64 13.277 -13.004 -4.467 1.00 32.22 N ATOM 0 H GLN A 64 8.111 -12.754 -4.118 1.00 45.02 H new ATOM 0 HA GLN A 64 9.445 -13.029 -6.489 1.00 73.43 H new ATOM 0 HB2 GLN A 64 10.041 -13.356 -3.901 1.00 20.32 H new ATOM 0 HB3 GLN A 64 9.645 -15.036 -4.206 1.00 20.32 H new ATOM 0 HG2 GLN A 64 11.914 -15.112 -4.666 1.00 60.43 H new ATOM 0 HG3 GLN A 64 11.333 -14.711 -6.270 1.00 60.43 H new ATOM 0 HE21 GLN A 64 13.602 -13.845 -3.991 1.00 32.22 H new ATOM 0 HE22 GLN A 64 13.797 -12.132 -4.373 1.00 32.22 H new ATOM 901 N SER A 65 7.534 -15.664 -5.872 1.00 4.33 N ATOM 902 CA SER A 65 7.001 -16.902 -6.430 1.00 53.12 C ATOM 903 C SER A 65 5.955 -16.626 -7.520 1.00 75.12 C ATOM 904 O SER A 65 5.445 -17.562 -8.132 1.00 33.22 O ATOM 905 CB SER A 65 6.425 -17.757 -5.291 1.00 23.34 C ATOM 906 OG SER A 65 6.408 -19.127 -5.644 1.00 13.10 O ATOM 0 H SER A 65 7.132 -15.415 -4.968 1.00 4.33 H new ATOM 0 HA SER A 65 7.808 -17.453 -6.914 1.00 53.12 H new ATOM 0 HB2 SER A 65 7.021 -17.618 -4.389 1.00 23.34 H new ATOM 0 HB3 SER A 65 5.413 -17.425 -5.058 1.00 23.34 H new ATOM 0 HG SER A 65 6.069 -19.225 -6.558 1.00 13.10 H new ATOM 911 N GLY A 66 5.596 -15.367 -7.782 1.00 53.25 N ATOM 912 CA GLY A 66 4.544 -15.048 -8.730 1.00 3.12 C ATOM 913 C GLY A 66 3.153 -15.129 -8.102 1.00 33.35 C ATOM 914 O GLY A 66 2.176 -15.065 -8.846 1.00 31.14 O ATOM 0 H GLY A 66 6.026 -14.552 -7.344 1.00 53.25 H new ATOM 0 HA2 GLY A 66 4.705 -14.044 -9.123 1.00 3.12 H new ATOM 0 HA3 GLY A 66 4.599 -15.734 -9.575 1.00 3.12 H new ATOM 918 N GLU A 67 3.015 -15.248 -6.774 1.00 1.00 N ATOM 919 CA GLU A 67 1.704 -15.179 -6.133 1.00 4.14 C ATOM 920 C GLU A 67 1.274 -13.730 -6.131 1.00 35.20 C ATOM 921 O GLU A 67 2.062 -12.847 -5.796 1.00 51.42 O ATOM 922 CB GLU A 67 1.746 -15.691 -4.692 1.00 32.55 C ATOM 923 CG GLU A 67 1.819 -17.212 -4.649 1.00 12.41 C ATOM 924 CD GLU A 67 2.141 -17.685 -3.240 1.00 11.24 C ATOM 925 OE1 GLU A 67 3.326 -17.600 -2.838 1.00 35.51 O ATOM 926 OE2 GLU A 67 1.230 -18.194 -2.557 1.00 51.23 O ATOM 0 H GLU A 67 3.793 -15.392 -6.130 1.00 1.00 H new ATOM 0 HA GLU A 67 1.005 -15.809 -6.684 1.00 4.14 H new ATOM 0 HB2 GLU A 67 2.609 -15.268 -4.178 1.00 32.55 H new ATOM 0 HB3 GLU A 67 0.859 -15.352 -4.157 1.00 32.55 H new ATOM 0 HG2 GLU A 67 0.870 -17.638 -4.975 1.00 12.41 H new ATOM 0 HG3 GLU A 67 2.582 -17.566 -5.342 1.00 12.41 H new ATOM 931 N LYS A 68 0.046 -13.459 -6.544 1.00 73.53 N ATOM 932 CA LYS A 68 -0.507 -12.125 -6.530 1.00 4.02 C ATOM 933 C LYS A 68 -1.174 -11.908 -5.180 1.00 20.50 C ATOM 934 O LYS A 68 -1.672 -12.842 -4.549 1.00 1.44 O ATOM 935 CB LYS A 68 -1.480 -12.000 -7.705 1.00 2.13 C ATOM 936 CG LYS A 68 -1.885 -10.549 -7.952 1.00 11.24 C ATOM 937 CD LYS A 68 -2.459 -10.360 -9.354 1.00 54.22 C ATOM 938 CE LYS A 68 -2.843 -8.894 -9.541 1.00 43.34 C ATOM 939 NZ LYS A 68 -3.011 -8.552 -10.965 1.00 22.12 N ATOM 0 H LYS A 68 -0.595 -14.168 -6.900 1.00 73.53 H new ATOM 0 HA LYS A 68 0.254 -11.355 -6.651 1.00 4.02 H new ATOM 0 HB2 LYS A 68 -1.018 -12.407 -8.605 1.00 2.13 H new ATOM 0 HB3 LYS A 68 -2.370 -12.597 -7.506 1.00 2.13 H new ATOM 0 HG2 LYS A 68 -2.624 -10.245 -7.211 1.00 11.24 H new ATOM 0 HG3 LYS A 68 -1.018 -9.901 -7.822 1.00 11.24 H new ATOM 0 HD2 LYS A 68 -1.725 -10.656 -10.104 1.00 54.22 H new ATOM 0 HD3 LYS A 68 -3.332 -10.998 -9.493 1.00 54.22 H new ATOM 0 HE2 LYS A 68 -3.770 -8.690 -9.006 1.00 43.34 H new ATOM 0 HE3 LYS A 68 -2.075 -8.258 -9.102 1.00 43.34 H new ATOM 0 HZ1 LYS A 68 -3.271 -7.549 -11.053 1.00 22.12 H new ATOM 0 HZ2 LYS A 68 -2.119 -8.724 -11.471 1.00 22.12 H new ATOM 0 HZ3 LYS A 68 -3.762 -9.142 -11.377 1.00 22.12 H new ATOM 949 N PHE A 69 -1.195 -10.659 -4.747 1.00 51.33 N ATOM 950 CA PHE A 69 -1.919 -10.207 -3.575 1.00 12.13 C ATOM 951 C PHE A 69 -2.609 -8.899 -3.918 1.00 25.41 C ATOM 952 O PHE A 69 -2.095 -8.135 -4.744 1.00 12.00 O ATOM 953 CB PHE A 69 -0.935 -10.066 -2.415 1.00 33.30 C ATOM 954 CG PHE A 69 0.307 -9.234 -2.700 1.00 0.11 C ATOM 955 CD1 PHE A 69 0.268 -7.835 -2.561 1.00 4.23 C ATOM 956 CD2 PHE A 69 1.510 -9.859 -3.084 1.00 4.00 C ATOM 957 CE1 PHE A 69 1.424 -7.063 -2.761 1.00 72.14 C ATOM 958 CE2 PHE A 69 2.667 -9.087 -3.282 1.00 15.42 C ATOM 959 CZ PHE A 69 2.629 -7.691 -3.117 1.00 13.03 C ATOM 0 H PHE A 69 -0.691 -9.908 -5.219 1.00 51.33 H new ATOM 0 HA PHE A 69 -2.684 -10.920 -3.270 1.00 12.13 H new ATOM 0 HB2 PHE A 69 -1.460 -9.623 -1.569 1.00 33.30 H new ATOM 0 HB3 PHE A 69 -0.619 -11.063 -2.107 1.00 33.30 H new ATOM 0 HD1 PHE A 69 -0.660 -7.350 -2.298 1.00 4.23 H new ATOM 0 HD2 PHE A 69 1.543 -10.929 -3.226 1.00 4.00 H new ATOM 0 HE1 PHE A 69 1.387 -5.990 -2.642 1.00 72.14 H new ATOM 0 HE2 PHE A 69 3.592 -9.569 -3.563 1.00 15.42 H new ATOM 0 HZ PHE A 69 3.523 -7.104 -3.264 1.00 13.03 H new ATOM 968 N THR A 70 -3.746 -8.623 -3.284 1.00 71.24 N ATOM 969 CA THR A 70 -4.512 -7.415 -3.531 1.00 32.13 C ATOM 970 C THR A 70 -5.031 -6.828 -2.224 1.00 41.04 C ATOM 971 O THR A 70 -5.154 -7.529 -1.225 1.00 62.34 O ATOM 972 CB THR A 70 -5.670 -7.696 -4.498 1.00 32.24 C ATOM 973 OG1 THR A 70 -6.540 -8.701 -4.015 1.00 33.20 O ATOM 974 CG2 THR A 70 -5.194 -8.034 -5.910 1.00 21.20 C ATOM 0 H THR A 70 -4.160 -9.237 -2.582 1.00 71.24 H new ATOM 0 HA THR A 70 -3.852 -6.682 -3.994 1.00 32.13 H new ATOM 0 HB THR A 70 -6.232 -6.764 -4.557 1.00 32.24 H new ATOM 0 HG1 THR A 70 -7.263 -8.846 -4.661 1.00 33.20 H new ATOM 0 HG21 THR A 70 -6.056 -8.223 -6.549 1.00 21.20 H new ATOM 0 HG22 THR A 70 -4.622 -7.198 -6.311 1.00 21.20 H new ATOM 0 HG23 THR A 70 -4.564 -8.923 -5.879 1.00 21.20 H new ATOM 982 N GLY A 71 -5.351 -5.535 -2.257 1.00 64.14 N ATOM 983 CA GLY A 71 -5.924 -4.807 -1.138 1.00 20.14 C ATOM 984 C GLY A 71 -7.395 -4.509 -1.371 1.00 0.52 C ATOM 985 O GLY A 71 -8.255 -5.102 -0.729 1.00 72.31 O ATOM 0 H GLY A 71 -5.214 -4.955 -3.085 1.00 64.14 H new ATOM 0 HA2 GLY A 71 -5.809 -5.390 -0.224 1.00 20.14 H new ATOM 0 HA3 GLY A 71 -5.380 -3.874 -0.991 1.00 20.14 H new ATOM 989 N HIS A 72 -7.677 -3.619 -2.328 1.00 0.10 N ATOM 990 CA HIS A 72 -8.995 -3.062 -2.640 1.00 31.42 C ATOM 991 C HIS A 72 -9.737 -2.607 -1.379 1.00 60.31 C ATOM 992 O HIS A 72 -10.562 -3.327 -0.822 1.00 43.31 O ATOM 993 CB HIS A 72 -9.815 -4.036 -3.498 1.00 72.41 C ATOM 994 CG HIS A 72 -9.068 -4.579 -4.684 1.00 64.34 C ATOM 995 ND1 HIS A 72 -8.641 -3.849 -5.767 1.00 72.51 N ATOM 996 CD2 HIS A 72 -8.720 -5.886 -4.895 1.00 4.45 C ATOM 997 CE1 HIS A 72 -8.065 -4.699 -6.623 1.00 71.42 C ATOM 998 NE2 HIS A 72 -8.080 -5.949 -6.138 1.00 12.24 N ATOM 0 H HIS A 72 -6.950 -3.248 -2.939 1.00 0.10 H new ATOM 0 HA HIS A 72 -8.847 -2.163 -3.238 1.00 31.42 H new ATOM 0 HB2 HIS A 72 -10.141 -4.868 -2.874 1.00 72.41 H new ATOM 0 HB3 HIS A 72 -10.714 -3.528 -3.848 1.00 72.41 H new ATOM 0 HD1 HIS A 72 -8.745 -2.842 -5.895 1.00 72.51 H new ATOM 0 HD2 HIS A 72 -8.905 -6.714 -4.227 1.00 4.45 H new ATOM 0 HE1 HIS A 72 -7.644 -4.417 -7.577 1.00 71.42 H new ATOM 1005 N PHE A 73 -9.422 -1.399 -0.920 1.00 0.20 N ATOM 1006 CA PHE A 73 -9.894 -0.822 0.328 1.00 1.12 C ATOM 1007 C PHE A 73 -10.700 0.434 0.043 1.00 20.43 C ATOM 1008 O PHE A 73 -10.439 1.141 -0.942 1.00 15.24 O ATOM 1009 CB PHE A 73 -8.687 -0.439 1.186 1.00 21.22 C ATOM 1010 CG PHE A 73 -7.716 -1.570 1.454 1.00 61.43 C ATOM 1011 CD1 PHE A 73 -8.133 -2.672 2.221 1.00 25.32 C ATOM 1012 CD2 PHE A 73 -6.398 -1.510 0.963 1.00 2.40 C ATOM 1013 CE1 PHE A 73 -7.220 -3.699 2.523 1.00 33.40 C ATOM 1014 CE2 PHE A 73 -5.478 -2.522 1.292 1.00 21.54 C ATOM 1015 CZ PHE A 73 -5.894 -3.613 2.072 1.00 34.54 C ATOM 0 H PHE A 73 -8.803 -0.771 -1.433 1.00 0.20 H new ATOM 0 HA PHE A 73 -10.518 -1.550 0.847 1.00 1.12 H new ATOM 0 HB2 PHE A 73 -8.151 0.372 0.693 1.00 21.22 H new ATOM 0 HB3 PHE A 73 -9.045 -0.052 2.140 1.00 21.22 H new ATOM 0 HD1 PHE A 73 -9.151 -2.730 2.577 1.00 25.32 H new ATOM 0 HD2 PHE A 73 -6.093 -0.687 0.334 1.00 2.40 H new ATOM 0 HE1 PHE A 73 -7.540 -4.553 3.102 1.00 33.40 H new ATOM 0 HE2 PHE A 73 -4.457 -2.460 0.946 1.00 21.54 H new ATOM 0 HZ PHE A 73 -5.189 -4.391 2.326 1.00 34.54 H new ATOM 1024 N LYS A 74 -11.624 0.750 0.947 1.00 71.34 N ATOM 1025 CA LYS A 74 -12.409 1.976 0.977 1.00 0.22 C ATOM 1026 C LYS A 74 -12.461 2.459 2.429 1.00 55.13 C ATOM 1027 O LYS A 74 -12.101 1.709 3.346 1.00 11.02 O ATOM 1028 CB LYS A 74 -13.825 1.749 0.407 1.00 20.21 C ATOM 1029 CG LYS A 74 -13.883 1.452 -1.103 1.00 20.10 C ATOM 1030 CD LYS A 74 -13.901 -0.054 -1.405 1.00 43.22 C ATOM 1031 CE LYS A 74 -13.686 -0.351 -2.893 1.00 23.43 C ATOM 1032 NZ LYS A 74 -14.883 -0.107 -3.721 1.00 2.05 N ATOM 0 H LYS A 74 -11.856 0.123 1.718 1.00 71.34 H new ATOM 0 HA LYS A 74 -11.944 2.735 0.348 1.00 0.22 H new ATOM 0 HB2 LYS A 74 -14.286 0.919 0.942 1.00 20.21 H new ATOM 0 HB3 LYS A 74 -14.428 2.634 0.611 1.00 20.21 H new ATOM 0 HG2 LYS A 74 -14.774 1.915 -1.527 1.00 20.10 H new ATOM 0 HG3 LYS A 74 -13.023 1.908 -1.593 1.00 20.10 H new ATOM 0 HD2 LYS A 74 -13.124 -0.549 -0.822 1.00 43.22 H new ATOM 0 HD3 LYS A 74 -14.855 -0.475 -1.087 1.00 43.22 H new ATOM 0 HE2 LYS A 74 -12.866 0.264 -3.263 1.00 23.43 H new ATOM 0 HE3 LYS A 74 -13.381 -1.391 -3.007 1.00 23.43 H new ATOM 0 HZ1 LYS A 74 -14.669 -0.327 -4.715 1.00 2.05 H new ATOM 0 HZ2 LYS A 74 -15.662 -0.713 -3.392 1.00 2.05 H new ATOM 0 HZ3 LYS A 74 -15.163 0.891 -3.640 1.00 2.05 H new ATOM 1042 N GLY A 75 -12.871 3.711 2.610 1.00 54.22 N ATOM 1043 CA GLY A 75 -12.952 4.389 3.891 1.00 1.41 C ATOM 1044 C GLY A 75 -11.606 4.552 4.566 1.00 73.44 C ATOM 1045 O GLY A 75 -11.396 4.096 5.687 1.00 61.31 O ATOM 0 H GLY A 75 -13.167 4.302 1.833 1.00 54.22 H new ATOM 0 HA2 GLY A 75 -13.400 5.372 3.747 1.00 1.41 H new ATOM 0 HA3 GLY A 75 -13.616 3.829 4.550 1.00 1.41 H new ATOM 1049 N LEU A 76 -10.693 5.219 3.862 1.00 11.40 N ATOM 1050 CA LEU A 76 -9.383 5.554 4.394 1.00 33.30 C ATOM 1051 C LEU A 76 -9.485 6.948 5.020 1.00 63.41 C ATOM 1052 O LEU A 76 -10.254 7.797 4.556 1.00 12.40 O ATOM 1053 CB LEU A 76 -8.336 5.522 3.273 1.00 13.33 C ATOM 1054 CG LEU A 76 -8.042 4.168 2.593 1.00 51.43 C ATOM 1055 CD1 LEU A 76 -6.936 3.391 3.311 1.00 11.03 C ATOM 1056 CD2 LEU A 76 -9.201 3.207 2.330 1.00 40.03 C ATOM 0 H LEU A 76 -10.846 5.541 2.906 1.00 11.40 H new ATOM 0 HA LEU A 76 -9.070 4.832 5.148 1.00 33.30 H new ATOM 0 HB2 LEU A 76 -8.653 6.222 2.500 1.00 13.33 H new ATOM 0 HB3 LEU A 76 -7.399 5.901 3.681 1.00 13.33 H new ATOM 0 HG LEU A 76 -7.739 4.515 1.605 1.00 51.43 H new ATOM 0 HD11 LEU A 76 -6.763 2.445 2.797 1.00 11.03 H new ATOM 0 HD12 LEU A 76 -6.018 3.978 3.308 1.00 11.03 H new ATOM 0 HD13 LEU A 76 -7.238 3.195 4.340 1.00 11.03 H new ATOM 0 HD21 LEU A 76 -8.824 2.305 1.848 1.00 40.03 H new ATOM 0 HD22 LEU A 76 -9.675 2.942 3.275 1.00 40.03 H new ATOM 0 HD23 LEU A 76 -9.932 3.688 1.679 1.00 40.03 H new ATOM 1067 N VAL A 77 -8.682 7.202 6.048 1.00 45.33 N ATOM 1068 CA VAL A 77 -8.749 8.384 6.903 1.00 15.20 C ATOM 1069 C VAL A 77 -7.352 8.717 7.421 1.00 51.12 C ATOM 1070 O VAL A 77 -6.404 7.954 7.202 1.00 52.02 O ATOM 1071 CB VAL A 77 -9.704 8.129 8.090 1.00 54.21 C ATOM 1072 CG1 VAL A 77 -11.161 8.270 7.658 1.00 3.43 C ATOM 1073 CG2 VAL A 77 -9.444 6.769 8.746 1.00 23.23 C ATOM 0 H VAL A 77 -7.935 6.563 6.320 1.00 45.33 H new ATOM 0 HA VAL A 77 -9.130 9.224 6.323 1.00 15.20 H new ATOM 0 HB VAL A 77 -9.503 8.891 8.843 1.00 54.21 H new ATOM 0 HG11 VAL A 77 -11.813 8.086 8.512 1.00 3.43 H new ATOM 0 HG12 VAL A 77 -11.333 9.278 7.281 1.00 3.43 H new ATOM 0 HG13 VAL A 77 -11.379 7.547 6.872 1.00 3.43 H new ATOM 0 HG21 VAL A 77 -10.136 6.627 9.576 1.00 23.23 H new ATOM 0 HG22 VAL A 77 -9.591 5.977 8.012 1.00 23.23 H new ATOM 0 HG23 VAL A 77 -8.420 6.734 9.117 1.00 23.23 H new ATOM 1083 N GLY A 78 -7.227 9.824 8.154 1.00 0.11 N ATOM 1084 CA GLY A 78 -5.938 10.329 8.583 1.00 32.32 C ATOM 1085 C GLY A 78 -5.265 11.053 7.420 1.00 3.21 C ATOM 1086 O GLY A 78 -5.927 11.384 6.433 1.00 51.34 O ATOM 0 H GLY A 78 -8.018 10.389 8.462 1.00 0.11 H new ATOM 0 HA2 GLY A 78 -6.064 11.009 9.426 1.00 32.32 H new ATOM 0 HA3 GLY A 78 -5.309 9.508 8.927 1.00 32.32 H new ATOM 1090 N LYS A 79 -3.964 11.336 7.521 1.00 51.15 N ATOM 1091 CA LYS A 79 -3.219 12.056 6.486 1.00 51.01 C ATOM 1092 C LYS A 79 -1.902 11.357 6.181 1.00 53.43 C ATOM 1093 O LYS A 79 -0.894 11.986 5.862 1.00 32.21 O ATOM 1094 CB LYS A 79 -3.099 13.546 6.861 1.00 24.10 C ATOM 1095 CG LYS A 79 -3.457 14.458 5.682 1.00 33.54 C ATOM 1096 CD LYS A 79 -2.265 14.898 4.817 1.00 32.20 C ATOM 1097 CE LYS A 79 -1.408 15.998 5.454 1.00 3.52 C ATOM 1098 NZ LYS A 79 -2.180 17.227 5.729 1.00 11.02 N ATOM 0 H LYS A 79 -3.396 11.071 8.326 1.00 51.15 H new ATOM 0 HA LYS A 79 -3.766 12.036 5.543 1.00 51.01 H new ATOM 0 HB2 LYS A 79 -3.757 13.764 7.702 1.00 24.10 H new ATOM 0 HB3 LYS A 79 -2.081 13.758 7.189 1.00 24.10 H new ATOM 0 HG2 LYS A 79 -4.176 13.941 5.047 1.00 33.54 H new ATOM 0 HG3 LYS A 79 -3.955 15.348 6.068 1.00 33.54 H new ATOM 0 HD2 LYS A 79 -1.635 14.031 4.616 1.00 32.20 H new ATOM 0 HD3 LYS A 79 -2.637 15.252 3.856 1.00 32.20 H new ATOM 0 HE2 LYS A 79 -0.978 15.627 6.384 1.00 3.52 H new ATOM 0 HE3 LYS A 79 -0.576 16.236 4.791 1.00 3.52 H new ATOM 0 HZ1 LYS A 79 -1.526 18.017 5.899 1.00 11.02 H new ATOM 0 HZ2 LYS A 79 -2.784 17.448 4.912 1.00 11.02 H new ATOM 0 HZ3 LYS A 79 -2.774 17.083 6.570 1.00 11.02 H new ATOM 1108 N ASP A 80 -1.931 10.035 6.243 1.00 14.13 N ATOM 1109 CA ASP A 80 -0.964 9.133 5.642 1.00 54.12 C ATOM 1110 C ASP A 80 -1.697 7.841 5.282 1.00 25.24 C ATOM 1111 O ASP A 80 -2.841 7.642 5.697 1.00 0.31 O ATOM 1112 CB ASP A 80 0.251 8.876 6.550 1.00 54.03 C ATOM 1113 CG ASP A 80 -0.098 8.261 7.905 1.00 41.02 C ATOM 1114 OD1 ASP A 80 -0.544 7.094 7.971 1.00 2.10 O ATOM 1115 OD2 ASP A 80 0.152 8.908 8.948 1.00 4.41 O ATOM 0 H ASP A 80 -2.669 9.537 6.741 1.00 14.13 H new ATOM 0 HA ASP A 80 -0.549 9.590 4.744 1.00 54.12 H new ATOM 0 HB2 ASP A 80 0.945 8.214 6.031 1.00 54.03 H new ATOM 0 HB3 ASP A 80 0.773 9.819 6.715 1.00 54.03 H new ATOM 1119 N THR A 81 -1.058 6.972 4.500 1.00 42.41 N ATOM 1120 CA THR A 81 -1.667 5.757 3.969 1.00 4.44 C ATOM 1121 C THR A 81 -0.601 4.658 3.955 1.00 41.51 C ATOM 1122 O THR A 81 0.208 4.581 3.036 1.00 2.23 O ATOM 1123 CB THR A 81 -2.294 6.017 2.574 1.00 2.44 C ATOM 1124 OG1 THR A 81 -2.317 7.389 2.199 1.00 53.23 O ATOM 1125 CG2 THR A 81 -3.738 5.518 2.549 1.00 62.14 C ATOM 0 H THR A 81 -0.087 7.096 4.214 1.00 42.41 H new ATOM 0 HA THR A 81 -2.492 5.429 4.602 1.00 4.44 H new ATOM 0 HB THR A 81 -1.659 5.481 1.868 1.00 2.44 H new ATOM 0 HG1 THR A 81 -2.722 7.479 1.311 1.00 53.23 H new ATOM 0 HG21 THR A 81 -4.170 5.705 1.566 1.00 62.14 H new ATOM 0 HG22 THR A 81 -3.757 4.448 2.757 1.00 62.14 H new ATOM 0 HG23 THR A 81 -4.318 6.045 3.307 1.00 62.14 H new ATOM 1133 N ARG A 82 -0.509 3.859 5.014 1.00 12.14 N ATOM 1134 CA ARG A 82 0.526 2.831 5.164 1.00 32.22 C ATOM 1135 C ARG A 82 -0.069 1.494 4.790 1.00 12.53 C ATOM 1136 O ARG A 82 -1.276 1.309 4.956 1.00 42.12 O ATOM 1137 CB ARG A 82 1.002 2.782 6.621 1.00 5.20 C ATOM 1138 CG ARG A 82 1.472 4.142 7.142 1.00 21.54 C ATOM 1139 CD ARG A 82 1.694 4.106 8.650 1.00 51.31 C ATOM 1140 NE ARG A 82 1.440 5.443 9.192 1.00 11.40 N ATOM 1141 CZ ARG A 82 1.727 5.905 10.405 1.00 14.51 C ATOM 1142 NH1 ARG A 82 2.320 5.149 11.315 1.00 24.41 N ATOM 1143 NH2 ARG A 82 1.414 7.156 10.701 1.00 54.42 N ATOM 0 H ARG A 82 -1.155 3.904 5.802 1.00 12.14 H new ATOM 0 HA ARG A 82 1.374 3.063 4.519 1.00 32.22 H new ATOM 0 HB2 ARG A 82 0.190 2.419 7.251 1.00 5.20 H new ATOM 0 HB3 ARG A 82 1.818 2.064 6.707 1.00 5.20 H new ATOM 0 HG2 ARG A 82 2.398 4.426 6.642 1.00 21.54 H new ATOM 0 HG3 ARG A 82 0.731 4.904 6.899 1.00 21.54 H new ATOM 0 HD2 ARG A 82 1.028 3.377 9.113 1.00 51.31 H new ATOM 0 HD3 ARG A 82 2.714 3.794 8.875 1.00 51.31 H new ATOM 0 HE ARG A 82 0.986 6.102 8.559 1.00 11.40 H new ATOM 0 HH11 ARG A 82 2.569 4.185 11.094 1.00 24.41 H new ATOM 0 HH12 ARG A 82 2.528 5.530 12.238 1.00 24.41 H new ATOM 0 HH21 ARG A 82 0.961 7.747 10.004 1.00 54.42 H new ATOM 0 HH22 ARG A 82 1.626 7.529 11.626 1.00 54.42 H new ATOM 1154 N VAL A 83 0.780 0.571 4.352 1.00 65.12 N ATOM 1155 CA VAL A 83 0.318 -0.686 3.771 1.00 14.10 C ATOM 1156 C VAL A 83 1.102 -1.831 4.386 1.00 3.30 C ATOM 1157 O VAL A 83 2.308 -1.936 4.158 1.00 34.22 O ATOM 1158 CB VAL A 83 0.391 -0.611 2.235 1.00 75.13 C ATOM 1159 CG1 VAL A 83 -0.071 -1.927 1.588 1.00 71.21 C ATOM 1160 CG2 VAL A 83 -0.459 0.534 1.657 1.00 5.44 C ATOM 0 H VAL A 83 1.795 0.669 4.388 1.00 65.12 H new ATOM 0 HA VAL A 83 -0.731 -0.871 4.003 1.00 14.10 H new ATOM 0 HB VAL A 83 1.439 -0.424 2.001 1.00 75.13 H new ATOM 0 HG11 VAL A 83 -0.007 -1.841 0.503 1.00 71.21 H new ATOM 0 HG12 VAL A 83 0.569 -2.743 1.926 1.00 71.21 H new ATOM 0 HG13 VAL A 83 -1.102 -2.132 1.876 1.00 71.21 H new ATOM 0 HG21 VAL A 83 -0.371 0.540 0.571 1.00 5.44 H new ATOM 0 HG22 VAL A 83 -1.503 0.389 1.935 1.00 5.44 H new ATOM 0 HG23 VAL A 83 -0.107 1.486 2.055 1.00 5.44 H new ATOM 1170 N PHE A 84 0.429 -2.649 5.200 1.00 51.24 N ATOM 1171 CA PHE A 84 1.025 -3.819 5.831 1.00 72.23 C ATOM 1172 C PHE A 84 0.743 -5.016 4.925 1.00 24.11 C ATOM 1173 O PHE A 84 -0.324 -5.616 4.995 1.00 75.53 O ATOM 1174 CB PHE A 84 0.479 -4.009 7.266 1.00 32.41 C ATOM 1175 CG PHE A 84 0.749 -2.895 8.278 1.00 40.13 C ATOM 1176 CD1 PHE A 84 1.802 -1.981 8.096 1.00 61.21 C ATOM 1177 CD2 PHE A 84 -0.045 -2.771 9.432 1.00 22.20 C ATOM 1178 CE1 PHE A 84 2.025 -0.930 9.001 1.00 4.45 C ATOM 1179 CE2 PHE A 84 0.168 -1.726 10.343 1.00 4.42 C ATOM 1180 CZ PHE A 84 1.195 -0.794 10.123 1.00 34.53 C ATOM 0 H PHE A 84 -0.553 -2.512 5.439 1.00 51.24 H new ATOM 0 HA PHE A 84 2.103 -3.701 5.943 1.00 72.23 H new ATOM 0 HB2 PHE A 84 -0.600 -4.149 7.199 1.00 32.41 H new ATOM 0 HB3 PHE A 84 0.896 -4.934 7.665 1.00 32.41 H new ATOM 0 HD1 PHE A 84 2.454 -2.089 7.242 1.00 61.21 H new ATOM 0 HD2 PHE A 84 -0.829 -3.490 9.619 1.00 22.20 H new ATOM 0 HE1 PHE A 84 2.831 -0.231 8.834 1.00 4.45 H new ATOM 0 HE2 PHE A 84 -0.460 -1.638 11.217 1.00 4.42 H new ATOM 0 HZ PHE A 84 1.345 0.023 10.814 1.00 34.53 H new ATOM 1189 N ILE A 85 1.673 -5.347 4.032 1.00 44.41 N ATOM 1190 CA ILE A 85 1.672 -6.660 3.395 1.00 40.41 C ATOM 1191 C ILE A 85 2.103 -7.618 4.507 1.00 35.50 C ATOM 1192 O ILE A 85 3.168 -7.424 5.096 1.00 71.24 O ATOM 1193 CB ILE A 85 2.615 -6.721 2.169 1.00 35.41 C ATOM 1194 CG1 ILE A 85 2.282 -5.604 1.152 1.00 25.12 C ATOM 1195 CG2 ILE A 85 2.496 -8.099 1.488 1.00 3.11 C ATOM 1196 CD1 ILE A 85 3.301 -5.485 0.012 1.00 60.44 C ATOM 0 H ILE A 85 2.430 -4.730 3.736 1.00 44.41 H new ATOM 0 HA ILE A 85 0.694 -6.917 2.988 1.00 40.41 H new ATOM 0 HB ILE A 85 3.637 -6.571 2.517 1.00 35.41 H new ATOM 0 HG12 ILE A 85 1.296 -5.793 0.728 1.00 25.12 H new ATOM 0 HG13 ILE A 85 2.225 -4.651 1.678 1.00 25.12 H new ATOM 0 HG21 ILE A 85 3.161 -8.137 0.626 1.00 3.11 H new ATOM 0 HG22 ILE A 85 2.774 -8.880 2.196 1.00 3.11 H new ATOM 0 HG23 ILE A 85 1.468 -8.255 1.160 1.00 3.11 H new ATOM 0 HD11 ILE A 85 3.002 -4.682 -0.661 1.00 60.44 H new ATOM 0 HD12 ILE A 85 4.285 -5.264 0.425 1.00 60.44 H new ATOM 0 HD13 ILE A 85 3.341 -6.424 -0.540 1.00 60.44 H new ATOM 1207 N GLU A 86 1.257 -8.589 4.821 1.00 52.32 N ATOM 1208 CA GLU A 86 1.460 -9.678 5.760 1.00 23.33 C ATOM 1209 C GLU A 86 0.414 -10.736 5.389 1.00 63.12 C ATOM 1210 O GLU A 86 -0.357 -10.548 4.439 1.00 22.14 O ATOM 1211 CB GLU A 86 1.342 -9.202 7.224 1.00 51.32 C ATOM 1212 CG GLU A 86 0.069 -8.407 7.561 1.00 3.43 C ATOM 1213 CD GLU A 86 -0.102 -8.267 9.075 1.00 51.23 C ATOM 1214 OE1 GLU A 86 0.720 -7.560 9.708 1.00 44.02 O ATOM 1215 OE2 GLU A 86 -1.043 -8.886 9.629 1.00 61.32 O ATOM 0 H GLU A 86 0.335 -8.637 4.388 1.00 52.32 H new ATOM 0 HA GLU A 86 2.467 -10.091 5.693 1.00 23.33 H new ATOM 0 HB2 GLU A 86 1.388 -10.074 7.876 1.00 51.32 H new ATOM 0 HB3 GLU A 86 2.208 -8.583 7.458 1.00 51.32 H new ATOM 0 HG2 GLU A 86 0.121 -7.419 7.104 1.00 3.43 H new ATOM 0 HG3 GLU A 86 -0.801 -8.909 7.138 1.00 3.43 H new ATOM 1220 N LEU A 87 0.439 -11.886 6.063 1.00 73.21 N ATOM 1221 CA LEU A 87 -0.360 -13.044 5.700 1.00 62.31 C ATOM 1222 C LEU A 87 -1.454 -13.248 6.737 1.00 51.31 C ATOM 1223 O LEU A 87 -1.450 -12.607 7.793 1.00 54.33 O ATOM 1224 CB LEU A 87 0.519 -14.304 5.586 1.00 52.04 C ATOM 1225 CG LEU A 87 1.907 -14.130 4.937 1.00 23.21 C ATOM 1226 CD1 LEU A 87 1.839 -13.405 3.592 1.00 0.24 C ATOM 1227 CD2 LEU A 87 2.955 -13.691 5.960 1.00 2.50 C ATOM 0 H LEU A 87 1.024 -12.036 6.885 1.00 73.21 H new ATOM 0 HA LEU A 87 -0.816 -12.868 4.726 1.00 62.31 H new ATOM 0 HB2 LEU A 87 0.661 -14.710 6.587 1.00 52.04 H new ATOM 0 HB3 LEU A 87 -0.032 -15.051 5.014 1.00 52.04 H new ATOM 0 HG LEU A 87 2.294 -15.099 4.622 1.00 23.21 H new ATOM 0 HD11 LEU A 87 2.843 -13.309 3.179 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.216 -13.975 2.903 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.409 -12.413 3.734 1.00 0.24 H new ATOM 0 HD21 LEU A 87 3.920 -13.579 5.467 1.00 2.50 H new ATOM 0 HD22 LEU A 87 2.659 -12.738 6.399 1.00 2.50 H new ATOM 0 HD23 LEU A 87 3.034 -14.443 6.745 1.00 2.50 H new ATOM 1238 N ASP A 88 -2.353 -14.188 6.474 1.00 14.13 N ATOM 1239 CA ASP A 88 -3.348 -14.638 7.440 1.00 52.41 C ATOM 1240 C ASP A 88 -3.684 -16.103 7.151 1.00 64.35 C ATOM 1241 O ASP A 88 -3.148 -16.685 6.201 1.00 63.22 O ATOM 1242 CB ASP A 88 -4.588 -13.723 7.369 1.00 43.23 C ATOM 1243 CG ASP A 88 -5.536 -13.823 8.567 1.00 43.32 C ATOM 1244 OD1 ASP A 88 -5.209 -14.449 9.606 1.00 41.25 O ATOM 1245 OD2 ASP A 88 -6.620 -13.202 8.491 1.00 23.31 O ATOM 0 H ASP A 88 -2.413 -14.665 5.574 1.00 14.13 H new ATOM 0 HA ASP A 88 -2.962 -14.575 8.457 1.00 52.41 H new ATOM 0 HB2 ASP A 88 -4.253 -12.690 7.275 1.00 43.23 H new ATOM 0 HB3 ASP A 88 -5.145 -13.961 6.463 1.00 43.23 H new ATOM 1249 N GLU A 89 -4.572 -16.686 7.959 1.00 1.34 N ATOM 1250 CA GLU A 89 -5.204 -17.997 7.860 1.00 25.21 C ATOM 1251 C GLU A 89 -4.194 -19.141 7.807 1.00 21.42 C ATOM 1252 O GLU A 89 -4.004 -19.852 8.797 1.00 20.33 O ATOM 1253 CB GLU A 89 -6.200 -18.045 6.684 1.00 41.31 C ATOM 1254 CG GLU A 89 -7.340 -17.020 6.777 1.00 41.12 C ATOM 1255 CD GLU A 89 -8.349 -17.276 7.907 1.00 53.42 C ATOM 1256 OE1 GLU A 89 -8.195 -18.231 8.709 1.00 54.52 O ATOM 1257 OE2 GLU A 89 -9.315 -16.482 8.010 1.00 4.43 O ATOM 0 H GLU A 89 -4.900 -16.193 8.790 1.00 1.34 H new ATOM 0 HA GLU A 89 -5.770 -18.146 8.780 1.00 25.21 H new ATOM 0 HB2 GLU A 89 -5.655 -17.881 5.755 1.00 41.31 H new ATOM 0 HB3 GLU A 89 -6.630 -19.045 6.628 1.00 41.31 H new ATOM 0 HG2 GLU A 89 -6.908 -16.029 6.913 1.00 41.12 H new ATOM 0 HG3 GLU A 89 -7.875 -17.006 5.828 1.00 41.12 H new ATOM 1262 N ASN A 90 -3.567 -19.350 6.656 1.00 4.32 N ATOM 1263 CA ASN A 90 -2.577 -20.388 6.404 1.00 14.15 C ATOM 1264 C ASN A 90 -1.472 -19.833 5.505 1.00 74.35 C ATOM 1265 O ASN A 90 -1.090 -20.468 4.525 1.00 13.15 O ATOM 1266 CB ASN A 90 -3.222 -21.691 5.883 1.00 3.31 C ATOM 1267 CG ASN A 90 -3.716 -21.673 4.447 1.00 51.03 C ATOM 1268 OD1 ASN A 90 -3.288 -22.485 3.625 1.00 15.02 O ATOM 1269 ND2 ASN A 90 -4.655 -20.803 4.137 1.00 20.50 N ATOM 0 H ASN A 90 -3.744 -18.772 5.834 1.00 4.32 H new ATOM 0 HA ASN A 90 -2.109 -20.678 7.345 1.00 14.15 H new ATOM 0 HB2 ASN A 90 -2.494 -22.496 5.984 1.00 3.31 H new ATOM 0 HB3 ASN A 90 -4.063 -21.938 6.531 1.00 3.31 H new ATOM 0 HD21 ASN A 90 -5.047 -20.790 3.196 1.00 20.50 H new ATOM 0 HD22 ASN A 90 -4.990 -20.143 4.838 1.00 20.50 H new ATOM 1275 N ALA A 91 -0.927 -18.657 5.860 1.00 64.11 N ATOM 1276 CA ALA A 91 0.188 -18.026 5.175 1.00 12.30 C ATOM 1277 C ALA A 91 -0.171 -17.572 3.752 1.00 64.11 C ATOM 1278 O ALA A 91 0.744 -17.418 2.937 1.00 51.11 O ATOM 1279 CB ALA A 91 1.427 -18.933 5.252 1.00 3.33 C ATOM 0 H ALA A 91 -1.267 -18.114 6.654 1.00 64.11 H new ATOM 0 HA ALA A 91 0.437 -17.098 5.690 1.00 12.30 H new ATOM 0 HB1 ALA A 91 2.260 -18.455 4.737 1.00 3.33 H new ATOM 0 HB2 ALA A 91 1.693 -19.098 6.296 1.00 3.33 H new ATOM 0 HB3 ALA A 91 1.208 -19.890 4.778 1.00 3.33 H new ATOM 1285 N ASP A 92 -1.463 -17.369 3.463 1.00 21.45 N ATOM 1286 CA ASP A 92 -1.977 -16.836 2.206 1.00 44.44 C ATOM 1287 C ASP A 92 -1.620 -15.358 2.130 1.00 34.35 C ATOM 1288 O ASP A 92 -1.786 -14.651 3.131 1.00 53.11 O ATOM 1289 CB ASP A 92 -3.507 -16.897 2.137 1.00 32.43 C ATOM 1290 CG ASP A 92 -4.106 -18.292 2.066 1.00 42.41 C ATOM 1291 OD1 ASP A 92 -3.547 -19.197 1.407 1.00 74.51 O ATOM 1292 OD2 ASP A 92 -5.181 -18.507 2.659 1.00 43.53 O ATOM 0 H ASP A 92 -2.205 -17.582 4.130 1.00 21.45 H new ATOM 0 HA ASP A 92 -1.545 -17.430 1.401 1.00 44.44 H new ATOM 0 HB2 ASP A 92 -3.913 -16.391 3.013 1.00 32.43 H new ATOM 0 HB3 ASP A 92 -3.836 -16.335 1.263 1.00 32.43 H new ATOM 1296 N VAL A 93 -1.191 -14.865 0.967 1.00 13.20 N ATOM 1297 CA VAL A 93 -0.824 -13.461 0.844 1.00 14.53 C ATOM 1298 C VAL A 93 -2.066 -12.580 0.746 1.00 32.44 C ATOM 1299 O VAL A 93 -2.719 -12.526 -0.302 1.00 74.12 O ATOM 1300 CB VAL A 93 0.191 -13.213 -0.284 1.00 42.31 C ATOM 1301 CG1 VAL A 93 0.858 -11.853 -0.018 1.00 24.21 C ATOM 1302 CG2 VAL A 93 1.292 -14.282 -0.310 1.00 0.10 C ATOM 0 H VAL A 93 -1.091 -15.411 0.111 1.00 13.20 H new ATOM 0 HA VAL A 93 -0.304 -13.172 1.758 1.00 14.53 H new ATOM 0 HB VAL A 93 -0.335 -13.241 -1.238 1.00 42.31 H new ATOM 0 HG11 VAL A 93 1.586 -11.645 -0.802 1.00 24.21 H new ATOM 0 HG12 VAL A 93 0.099 -11.071 -0.011 1.00 24.21 H new ATOM 0 HG13 VAL A 93 1.362 -11.878 0.948 1.00 24.21 H new ATOM 0 HG21 VAL A 93 1.987 -14.068 -1.122 1.00 0.10 H new ATOM 0 HG22 VAL A 93 1.829 -14.275 0.639 1.00 0.10 H new ATOM 0 HG23 VAL A 93 0.843 -15.263 -0.465 1.00 0.10 H new ATOM 1312 N GLN A 94 -2.356 -11.888 1.847 1.00 23.54 N ATOM 1313 CA GLN A 94 -3.363 -10.848 1.938 1.00 40.52 C ATOM 1314 C GLN A 94 -2.682 -9.489 1.724 1.00 61.44 C ATOM 1315 O GLN A 94 -1.498 -9.404 1.385 1.00 41.45 O ATOM 1316 CB GLN A 94 -4.075 -10.927 3.310 1.00 41.23 C ATOM 1317 CG GLN A 94 -4.683 -12.298 3.648 1.00 31.12 C ATOM 1318 CD GLN A 94 -5.501 -12.870 2.490 1.00 52.12 C ATOM 1319 OE1 GLN A 94 -6.513 -12.305 2.078 1.00 62.24 O ATOM 1320 NE2 GLN A 94 -5.068 -13.980 1.915 1.00 3.35 N ATOM 0 H GLN A 94 -1.873 -12.048 2.731 1.00 23.54 H new ATOM 0 HA GLN A 94 -4.124 -10.980 1.169 1.00 40.52 H new ATOM 0 HB2 GLN A 94 -3.361 -10.661 4.089 1.00 41.23 H new ATOM 0 HB3 GLN A 94 -4.867 -10.179 3.335 1.00 41.23 H new ATOM 0 HG2 GLN A 94 -3.884 -12.994 3.905 1.00 31.12 H new ATOM 0 HG3 GLN A 94 -5.319 -12.204 4.528 1.00 31.12 H new ATOM 0 HE21 GLN A 94 -4.228 -14.441 2.264 1.00 3.35 H new ATOM 0 HE22 GLN A 94 -5.574 -14.375 1.123 1.00 3.35 H new ATOM 1327 N VAL A 95 -3.426 -8.407 1.941 1.00 3.24 N ATOM 1328 CA VAL A 95 -2.863 -7.102 2.235 1.00 20.41 C ATOM 1329 C VAL A 95 -3.699 -6.557 3.384 1.00 4.40 C ATOM 1330 O VAL A 95 -4.923 -6.702 3.402 1.00 4.15 O ATOM 1331 CB VAL A 95 -2.897 -6.168 1.007 1.00 4.41 C ATOM 1332 CG1 VAL A 95 -2.266 -4.794 1.301 1.00 23.54 C ATOM 1333 CG2 VAL A 95 -2.148 -6.740 -0.203 1.00 74.22 C ATOM 0 H VAL A 95 -4.446 -8.417 1.916 1.00 3.24 H new ATOM 0 HA VAL A 95 -1.809 -7.173 2.502 1.00 20.41 H new ATOM 0 HB VAL A 95 -3.958 -6.069 0.779 1.00 4.41 H new ATOM 0 HG11 VAL A 95 -2.314 -4.173 0.407 1.00 23.54 H new ATOM 0 HG12 VAL A 95 -2.812 -4.308 2.110 1.00 23.54 H new ATOM 0 HG13 VAL A 95 -1.225 -4.927 1.595 1.00 23.54 H new ATOM 0 HG21 VAL A 95 -2.208 -6.037 -1.034 1.00 74.22 H new ATOM 0 HG22 VAL A 95 -1.103 -6.903 0.060 1.00 74.22 H new ATOM 0 HG23 VAL A 95 -2.600 -7.688 -0.496 1.00 74.22 H new ATOM 1343 N PHE A 96 -3.046 -5.857 4.300 1.00 32.32 N ATOM 1344 CA PHE A 96 -3.647 -5.213 5.443 1.00 33.15 C ATOM 1345 C PHE A 96 -3.183 -3.758 5.491 1.00 73.54 C ATOM 1346 O PHE A 96 -2.291 -3.331 4.748 1.00 1.33 O ATOM 1347 CB PHE A 96 -3.216 -5.993 6.690 1.00 43.54 C ATOM 1348 CG PHE A 96 -3.952 -5.567 7.940 1.00 53.44 C ATOM 1349 CD1 PHE A 96 -5.332 -5.807 8.060 1.00 40.23 C ATOM 1350 CD2 PHE A 96 -3.274 -4.860 8.946 1.00 1.42 C ATOM 1351 CE1 PHE A 96 -6.024 -5.342 9.193 1.00 52.33 C ATOM 1352 CE2 PHE A 96 -3.966 -4.377 10.069 1.00 64.41 C ATOM 1353 CZ PHE A 96 -5.343 -4.624 10.192 1.00 60.43 C ATOM 0 H PHE A 96 -2.036 -5.720 4.258 1.00 32.32 H new ATOM 0 HA PHE A 96 -4.735 -5.210 5.385 1.00 33.15 H new ATOM 0 HB2 PHE A 96 -3.384 -7.057 6.522 1.00 43.54 H new ATOM 0 HB3 PHE A 96 -2.145 -5.859 6.843 1.00 43.54 H new ATOM 0 HD1 PHE A 96 -5.858 -6.346 7.286 1.00 40.23 H new ATOM 0 HD2 PHE A 96 -2.212 -4.686 8.856 1.00 1.42 H new ATOM 0 HE1 PHE A 96 -7.081 -5.537 9.296 1.00 52.33 H new ATOM 0 HE2 PHE A 96 -3.443 -3.820 10.832 1.00 64.41 H new ATOM 0 HZ PHE A 96 -5.880 -4.262 11.056 1.00 60.43 H new ATOM 1362 N ILE A 97 -3.782 -2.967 6.374 1.00 40.23 N ATOM 1363 CA ILE A 97 -3.489 -1.555 6.547 1.00 22.41 C ATOM 1364 C ILE A 97 -3.810 -1.174 7.991 1.00 20.31 C ATOM 1365 O ILE A 97 -4.817 -1.641 8.518 1.00 21.12 O ATOM 1366 CB ILE A 97 -4.343 -0.722 5.554 1.00 63.34 C ATOM 1367 CG1 ILE A 97 -5.795 -1.234 5.405 1.00 62.53 C ATOM 1368 CG2 ILE A 97 -3.711 -0.677 4.154 1.00 71.14 C ATOM 1369 CD1 ILE A 97 -6.622 -0.314 4.515 1.00 64.23 C ATOM 0 H ILE A 97 -4.507 -3.304 7.007 1.00 40.23 H new ATOM 0 HA ILE A 97 -2.438 -1.352 6.343 1.00 22.41 H new ATOM 0 HB ILE A 97 -4.370 0.276 5.992 1.00 63.34 H new ATOM 0 HG12 ILE A 97 -5.786 -2.239 4.983 1.00 62.53 H new ATOM 0 HG13 ILE A 97 -6.260 -1.305 6.388 1.00 62.53 H new ATOM 0 HG21 ILE A 97 -4.340 -0.084 3.490 1.00 71.14 H new ATOM 0 HG22 ILE A 97 -2.721 -0.225 4.216 1.00 71.14 H new ATOM 0 HG23 ILE A 97 -3.623 -1.690 3.762 1.00 71.14 H new ATOM 0 HD11 ILE A 97 -7.637 -0.704 4.432 1.00 64.23 H new ATOM 0 HD12 ILE A 97 -6.651 0.684 4.951 1.00 64.23 H new ATOM 0 HD13 ILE A 97 -6.170 -0.264 3.524 1.00 64.23 H new ATOM 1380 N PRO A 98 -3.032 -0.273 8.619 1.00 60.42 N ATOM 1381 CA PRO A 98 -3.453 0.333 9.865 1.00 42.41 C ATOM 1382 C PRO A 98 -4.603 1.293 9.563 1.00 42.51 C ATOM 1383 O PRO A 98 -4.519 2.081 8.610 1.00 60.41 O ATOM 1384 CB PRO A 98 -2.226 1.042 10.434 1.00 25.12 C ATOM 1385 CG PRO A 98 -1.403 1.371 9.190 1.00 4.22 C ATOM 1386 CD PRO A 98 -1.740 0.246 8.204 1.00 51.41 C ATOM 0 HA PRO A 98 -3.818 -0.387 10.597 1.00 42.41 H new ATOM 0 HB2 PRO A 98 -2.500 1.942 10.985 1.00 25.12 H new ATOM 0 HB3 PRO A 98 -1.675 0.402 11.123 1.00 25.12 H new ATOM 0 HG2 PRO A 98 -1.668 2.348 8.785 1.00 4.22 H new ATOM 0 HG3 PRO A 98 -0.337 1.397 9.414 1.00 4.22 H new ATOM 0 HD2 PRO A 98 -1.780 0.622 7.182 1.00 51.41 H new ATOM 0 HD3 PRO A 98 -0.980 -0.535 8.227 1.00 51.41 H new ATOM 1391 N GLN A 99 -5.678 1.201 10.343 1.00 5.30 N ATOM 1392 CA GLN A 99 -6.945 1.912 10.167 1.00 72.43 C ATOM 1393 C GLN A 99 -7.457 2.386 11.528 1.00 74.33 C ATOM 1394 O GLN A 99 -6.761 2.227 12.540 1.00 72.11 O ATOM 1395 CB GLN A 99 -7.946 0.979 9.458 1.00 60.22 C ATOM 1396 CG GLN A 99 -7.630 0.769 7.971 1.00 1.30 C ATOM 1397 CD GLN A 99 -7.761 2.032 7.120 1.00 34.11 C ATOM 1398 OE1 GLN A 99 -8.801 2.304 6.532 1.00 52.14 O ATOM 1399 NE2 GLN A 99 -6.707 2.821 6.988 1.00 1.02 N ATOM 0 H GLN A 99 -5.690 0.594 11.162 1.00 5.30 H new ATOM 0 HA GLN A 99 -6.811 2.796 9.544 1.00 72.43 H new ATOM 0 HB2 GLN A 99 -7.951 0.012 9.962 1.00 60.22 H new ATOM 0 HB3 GLN A 99 -8.950 1.393 9.554 1.00 60.22 H new ATOM 0 HG2 GLN A 99 -6.614 0.385 7.877 1.00 1.30 H new ATOM 0 HG3 GLN A 99 -8.298 0.005 7.573 1.00 1.30 H new ATOM 0 HE21 GLN A 99 -5.839 2.599 7.476 1.00 1.02 H new ATOM 0 HE22 GLN A 99 -6.762 3.652 6.399 1.00 1.02 H new ATOM 1406 N GLY A 100 -8.631 3.003 11.581 1.00 55.53 N ATOM 1407 CA GLY A 100 -9.208 3.508 12.807 1.00 0.34 C ATOM 1408 C GLY A 100 -10.624 3.930 12.507 1.00 65.52 C ATOM 1409 O GLY A 100 -11.535 3.132 12.700 1.00 52.05 O ATOM 0 H GLY A 100 -9.212 3.166 10.759 1.00 55.53 H new ATOM 0 HA2 GLY A 100 -9.193 2.741 13.581 1.00 0.34 H new ATOM 0 HA3 GLY A 100 -8.629 4.351 13.183 1.00 0.34 H new ATOM 1413 N GLU A 101 -10.798 5.137 11.978 1.00 43.24 N ATOM 1414 CA GLU A 101 -12.110 5.684 11.676 1.00 60.43 C ATOM 1415 C GLU A 101 -12.614 5.064 10.367 1.00 21.34 C ATOM 1416 O GLU A 101 -12.526 5.668 9.297 1.00 42.42 O ATOM 1417 CB GLU A 101 -12.075 7.228 11.654 1.00 60.21 C ATOM 1418 CG GLU A 101 -11.301 7.855 12.821 1.00 20.53 C ATOM 1419 CD GLU A 101 -11.766 7.317 14.168 1.00 32.32 C ATOM 1420 OE1 GLU A 101 -12.933 7.584 14.543 1.00 54.31 O ATOM 1421 OE2 GLU A 101 -10.962 6.604 14.811 1.00 3.21 O ATOM 0 H GLU A 101 -10.027 5.764 11.747 1.00 43.24 H new ATOM 0 HA GLU A 101 -12.820 5.424 12.461 1.00 60.43 H new ATOM 0 HB2 GLU A 101 -11.627 7.557 10.717 1.00 60.21 H new ATOM 0 HB3 GLU A 101 -13.098 7.604 11.667 1.00 60.21 H new ATOM 0 HG2 GLU A 101 -10.236 7.656 12.699 1.00 20.53 H new ATOM 0 HG3 GLU A 101 -11.427 8.937 12.800 1.00 20.53 H new ATOM 1426 N ILE A 102 -13.089 3.824 10.434 1.00 71.52 N ATOM 1427 CA ILE A 102 -13.738 3.124 9.355 1.00 60.14 C ATOM 1428 C ILE A 102 -15.085 2.610 9.860 1.00 53.21 C ATOM 1429 O ILE A 102 -15.146 1.673 10.652 1.00 23.31 O ATOM 1430 CB ILE A 102 -12.814 2.053 8.729 1.00 64.24 C ATOM 1431 CG1 ILE A 102 -13.633 1.250 7.708 1.00 13.41 C ATOM 1432 CG2 ILE A 102 -12.108 1.130 9.741 1.00 22.25 C ATOM 1433 CD1 ILE A 102 -12.788 0.523 6.662 1.00 33.24 C ATOM 0 H ILE A 102 -13.024 3.264 11.284 1.00 71.52 H new ATOM 0 HA ILE A 102 -13.943 3.795 8.521 1.00 60.14 H new ATOM 0 HB ILE A 102 -11.991 2.578 8.244 1.00 64.24 H new ATOM 0 HG12 ILE A 102 -14.241 0.518 8.241 1.00 13.41 H new ATOM 0 HG13 ILE A 102 -14.321 1.925 7.198 1.00 13.41 H new ATOM 0 HG21 ILE A 102 -11.484 0.414 9.206 1.00 22.25 H new ATOM 0 HG22 ILE A 102 -11.486 1.728 10.407 1.00 22.25 H new ATOM 0 HG23 ILE A 102 -12.855 0.594 10.327 1.00 22.25 H new ATOM 0 HD11 ILE A 102 -13.442 -0.020 5.979 1.00 33.24 H new ATOM 0 HD12 ILE A 102 -12.200 1.249 6.101 1.00 33.24 H new ATOM 0 HD13 ILE A 102 -12.119 -0.179 7.159 1.00 33.24 H new ATOM 1444 N ASP A 103 -16.134 3.225 9.320 1.00 23.11 N ATOM 1445 CA ASP A 103 -17.438 2.646 9.009 1.00 13.32 C ATOM 1446 C ASP A 103 -18.190 2.034 10.179 1.00 12.05 C ATOM 1447 O ASP A 103 -18.881 2.831 10.852 1.00 11.04 O ATOM 1448 CB ASP A 103 -17.324 1.724 7.786 1.00 52.31 C ATOM 1449 CG ASP A 103 -18.606 1.770 6.976 1.00 54.42 C ATOM 1450 OD1 ASP A 103 -18.724 2.742 6.192 1.00 22.30 O ATOM 1451 OD2 ASP A 103 -19.426 0.826 7.035 1.00 52.13 O ATOM 0 H ASP A 103 -16.092 4.213 9.070 1.00 23.11 H new ATOM 0 HA ASP A 103 -18.089 3.482 8.752 1.00 13.32 H new ATOM 0 HB2 ASP A 103 -16.482 2.032 7.166 1.00 52.31 H new ATOM 0 HB3 ASP A 103 -17.125 0.702 8.109 1.00 52.31 H new TER 1455 ASP A 103