USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 926 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 65 CYS SG : rot 180:sc= 0.753 USER MOD Set 1.2: A 117 THR OG1 : rot 135:sc= 1.36 USER MOD Set 2.1: A 56 THR OG1 : rot 147:sc= -0.84 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -1.11 F(o=-2.6,f=-2) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc=-0.00168 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.47) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00489 X(o=-0.0049,f=-0.31) USER MOD Single : A 41 MET CE :methyl -138:sc= -0.0042 (180deg=-0.832) USER MOD Single : A 43 ASN :FLIP amide:sc= -2.88 F(o=-3.4,f=-2.9) USER MOD Single : A 45 SER OG : rot -6:sc= 0.412 USER MOD Single : A 46 THR OG1 : rot 21:sc= 1.23 USER MOD Single : A 68 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ -121:sc= 0.326 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -170:sc= -0.667 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 88 LYS NZ :NH3+ -141:sc=-0.00121 (180deg=-0.728) USER MOD Single : A 97 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.72) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -54:sc= 0.843 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 160:sc= -0.0502 (180deg=-0.853) USER MOD Single : A 110 TYR OH : rot -120:sc= -0.275 USER MOD Single : A 111 SER OG : rot -132:sc= 0.942 USER MOD Single : A 112 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 4.401 6.926 -2.484 1.00 13.00 N ATOM 2 CA GLY A 2 4.457 6.359 -1.150 1.00 45.03 C ATOM 3 C GLY A 2 5.050 4.964 -1.138 1.00 62.52 C ATOM 4 O GLY A 2 4.378 4.001 -0.773 1.00 42.44 O ATOM 0 HA2 GLY A 2 5.051 7.009 -0.507 1.00 45.03 H new ATOM 0 HA3 GLY A 2 3.452 6.327 -0.730 1.00 45.03 H new ATOM 8 N ASN A 3 6.312 4.855 -1.539 1.00 31.21 N ATOM 9 CA ASN A 3 6.995 3.567 -1.575 1.00 75.31 C ATOM 10 C ASN A 3 6.316 2.619 -2.558 1.00 34.35 C ATOM 11 O ASN A 3 6.047 1.461 -2.238 1.00 25.20 O ATOM 12 CB ASN A 3 7.019 2.940 -0.179 1.00 22.34 C ATOM 13 CG ASN A 3 8.239 2.068 0.041 1.00 44.44 C ATOM 14 OD1 ASN A 3 8.383 1.015 -0.579 1.00 1.53 O ATOM 15 ND2 ASN A 3 9.125 2.503 0.930 1.00 11.13 N ATOM 0 H ASN A 3 6.883 5.643 -1.844 1.00 31.21 H new ATOM 0 HA ASN A 3 8.019 3.736 -1.908 1.00 75.31 H new ATOM 0 HB2 ASN A 3 7.000 3.730 0.572 1.00 22.34 H new ATOM 0 HB3 ASN A 3 6.118 2.343 -0.036 1.00 22.34 H new ATOM 0 HD21 ASN A 3 9.965 1.958 1.121 1.00 11.13 H new ATOM 0 HD22 ASN A 3 8.965 3.382 1.421 1.00 11.13 H new ATOM 22 N LEU A 4 6.041 3.118 -3.759 1.00 65.43 N ATOM 23 CA LEU A 4 5.394 2.316 -4.791 1.00 33.31 C ATOM 24 C LEU A 4 6.130 0.995 -4.996 1.00 61.32 C ATOM 25 O LEU A 4 7.260 0.971 -5.482 1.00 24.04 O ATOM 26 CB LEU A 4 5.340 3.092 -6.108 1.00 5.23 C ATOM 27 CG LEU A 4 6.657 3.712 -6.577 1.00 73.05 C ATOM 28 CD1 LEU A 4 6.823 3.542 -8.079 1.00 61.24 C ATOM 29 CD2 LEU A 4 6.718 5.185 -6.195 1.00 43.21 C ATOM 0 H LEU A 4 6.256 4.074 -4.041 1.00 65.43 H new ATOM 0 HA LEU A 4 4.378 2.097 -4.463 1.00 33.31 H new ATOM 0 HB2 LEU A 4 4.980 2.421 -6.888 1.00 5.23 H new ATOM 0 HB3 LEU A 4 4.602 3.888 -6.007 1.00 5.23 H new ATOM 0 HG LEU A 4 7.478 3.193 -6.081 1.00 73.05 H new ATOM 0 HD11 LEU A 4 7.766 3.989 -8.394 1.00 61.24 H new ATOM 0 HD12 LEU A 4 6.824 2.481 -8.327 1.00 61.24 H new ATOM 0 HD13 LEU A 4 5.998 4.034 -8.594 1.00 61.24 H new ATOM 0 HD21 LEU A 4 7.662 5.611 -6.536 1.00 43.21 H new ATOM 0 HD22 LEU A 4 5.890 5.717 -6.663 1.00 43.21 H new ATOM 0 HD23 LEU A 4 6.646 5.283 -5.112 1.00 43.21 H new ATOM 41 N LYS A 5 5.480 -0.102 -4.623 1.00 74.32 N ATOM 42 CA LYS A 5 6.069 -1.428 -4.768 1.00 63.42 C ATOM 43 C LYS A 5 6.547 -1.657 -6.199 1.00 41.04 C ATOM 44 O LYS A 5 5.814 -1.404 -7.155 1.00 4.22 O ATOM 45 CB LYS A 5 5.055 -2.505 -4.378 1.00 14.44 C ATOM 46 CG LYS A 5 5.450 -3.295 -3.143 1.00 24.32 C ATOM 47 CD LYS A 5 4.387 -4.313 -2.768 1.00 70.23 C ATOM 48 CE LYS A 5 4.592 -5.629 -3.502 1.00 20.01 C ATOM 49 NZ LYS A 5 3.319 -6.387 -3.650 1.00 34.43 N ATOM 0 H LYS A 5 4.544 -0.099 -4.218 1.00 74.32 H new ATOM 0 HA LYS A 5 6.929 -1.491 -4.102 1.00 63.42 H new ATOM 0 HB2 LYS A 5 4.087 -2.035 -4.204 1.00 14.44 H new ATOM 0 HB3 LYS A 5 4.929 -3.193 -5.214 1.00 14.44 H new ATOM 0 HG2 LYS A 5 6.396 -3.805 -3.324 1.00 24.32 H new ATOM 0 HG3 LYS A 5 5.611 -2.612 -2.309 1.00 24.32 H new ATOM 0 HD2 LYS A 5 4.412 -4.487 -1.692 1.00 70.23 H new ATOM 0 HD3 LYS A 5 3.400 -3.914 -3.003 1.00 70.23 H new ATOM 0 HE2 LYS A 5 5.014 -5.433 -4.488 1.00 20.01 H new ATOM 0 HE3 LYS A 5 5.316 -6.238 -2.960 1.00 20.01 H new ATOM 0 HZ1 LYS A 5 3.502 -7.277 -4.155 1.00 34.43 H new ATOM 0 HZ2 LYS A 5 2.928 -6.597 -2.709 1.00 34.43 H new ATOM 0 HZ3 LYS A 5 2.636 -5.817 -4.189 1.00 34.43 H new ATOM 63 N SER A 6 7.778 -2.139 -6.336 1.00 11.41 N ATOM 64 CA SER A 6 8.353 -2.401 -7.650 1.00 4.01 C ATOM 65 C SER A 6 7.454 -3.328 -8.463 1.00 62.14 C ATOM 66 O SER A 6 7.468 -3.303 -9.693 1.00 54.23 O ATOM 67 CB SER A 6 9.745 -3.019 -7.507 1.00 71.05 C ATOM 68 OG SER A 6 10.635 -2.500 -8.480 1.00 5.32 O ATOM 0 H SER A 6 8.396 -2.356 -5.554 1.00 11.41 H new ATOM 0 HA SER A 6 8.437 -1.451 -8.178 1.00 4.01 H new ATOM 0 HB2 SER A 6 10.135 -2.818 -6.509 1.00 71.05 H new ATOM 0 HB3 SER A 6 9.678 -4.102 -7.611 1.00 71.05 H new ATOM 0 HG SER A 6 11.518 -2.909 -8.367 1.00 5.32 H new ATOM 74 N ARG A 7 6.673 -4.147 -7.763 1.00 20.15 N ATOM 75 CA ARG A 7 5.768 -5.084 -8.418 1.00 33.51 C ATOM 76 C ARG A 7 4.508 -4.373 -8.904 1.00 30.24 C ATOM 77 O ARG A 7 4.268 -4.267 -10.107 1.00 51.33 O ATOM 78 CB ARG A 7 5.391 -6.215 -7.461 1.00 51.33 C ATOM 79 CG ARG A 7 6.128 -7.516 -7.735 1.00 62.22 C ATOM 80 CD ARG A 7 5.222 -8.540 -8.399 1.00 14.33 C ATOM 81 NE ARG A 7 4.410 -9.266 -7.427 1.00 74.15 N ATOM 82 CZ ARG A 7 3.715 -10.360 -7.720 1.00 74.51 C ATOM 83 NH1 ARG A 7 3.732 -10.850 -8.951 1.00 22.13 N ATOM 84 NH2 ARG A 7 2.999 -10.964 -6.780 1.00 24.04 N ATOM 0 H ARG A 7 6.649 -4.180 -6.744 1.00 20.15 H new ATOM 0 HA ARG A 7 6.283 -5.505 -9.282 1.00 33.51 H new ATOM 0 HB2 ARG A 7 5.598 -5.899 -6.439 1.00 51.33 H new ATOM 0 HB3 ARG A 7 4.318 -6.394 -7.528 1.00 51.33 H new ATOM 0 HG2 ARG A 7 6.988 -7.320 -8.375 1.00 62.22 H new ATOM 0 HG3 ARG A 7 6.513 -7.922 -6.799 1.00 62.22 H new ATOM 0 HD2 ARG A 7 4.569 -8.037 -9.113 1.00 14.33 H new ATOM 0 HD3 ARG A 7 5.828 -9.247 -8.965 1.00 14.33 H new ATOM 0 HE ARG A 7 4.374 -8.914 -6.470 1.00 74.15 H new ATOM 0 HH11 ARG A 7 4.280 -10.387 -9.677 1.00 22.13 H new ATOM 0 HH12 ARG A 7 3.198 -11.690 -9.173 1.00 22.13 H new ATOM 0 HH21 ARG A 7 2.982 -10.589 -5.832 1.00 24.04 H new ATOM 0 HH22 ARG A 7 2.466 -11.804 -7.006 1.00 24.04 H new ATOM 98 N ASP A 8 3.709 -3.888 -7.961 1.00 73.40 N ATOM 99 CA ASP A 8 2.474 -3.186 -8.293 1.00 33.03 C ATOM 100 C ASP A 8 2.747 -2.023 -9.241 1.00 71.51 C ATOM 101 O ASP A 8 1.876 -1.619 -10.010 1.00 15.12 O ATOM 102 CB ASP A 8 1.795 -2.675 -7.021 1.00 51.14 C ATOM 103 CG ASP A 8 1.690 -3.745 -5.952 1.00 73.54 C ATOM 104 OD1 ASP A 8 1.596 -4.936 -6.311 1.00 3.55 O ATOM 105 OD2 ASP A 8 1.701 -3.388 -4.755 1.00 44.13 O ATOM 0 H ASP A 8 3.894 -3.968 -6.961 1.00 73.40 H new ATOM 0 HA ASP A 8 1.809 -3.890 -8.793 1.00 33.03 H new ATOM 0 HB2 ASP A 8 2.356 -1.827 -6.628 1.00 51.14 H new ATOM 0 HB3 ASP A 8 0.797 -2.311 -7.266 1.00 51.14 H new ATOM 110 N TRP A 9 3.961 -1.488 -9.178 1.00 5.54 N ATOM 111 CA TRP A 9 4.349 -0.371 -10.032 1.00 74.14 C ATOM 112 C TRP A 9 4.658 -0.847 -11.446 1.00 35.52 C ATOM 113 O TRP A 9 3.930 -0.536 -12.390 1.00 53.34 O ATOM 114 CB TRP A 9 5.566 0.347 -9.444 1.00 13.41 C ATOM 115 CG TRP A 9 6.134 1.394 -10.355 1.00 43.12 C ATOM 116 CD1 TRP A 9 7.444 1.549 -10.708 1.00 63.42 C ATOM 117 CD2 TRP A 9 5.410 2.431 -11.025 1.00 12.11 C ATOM 118 NE1 TRP A 9 7.578 2.621 -11.557 1.00 4.41 N ATOM 119 CE2 TRP A 9 6.345 3.178 -11.769 1.00 51.11 C ATOM 120 CE3 TRP A 9 4.063 2.800 -11.073 1.00 3.34 C ATOM 121 CZ2 TRP A 9 5.974 4.271 -12.547 1.00 33.35 C ATOM 122 CZ3 TRP A 9 3.696 3.885 -11.846 1.00 64.23 C ATOM 123 CH2 TRP A 9 4.648 4.610 -12.574 1.00 33.22 C ATOM 0 H TRP A 9 4.693 -1.809 -8.545 1.00 5.54 H new ATOM 0 HA TRP A 9 3.512 0.326 -10.080 1.00 74.14 H new ATOM 0 HB2 TRP A 9 5.284 0.812 -8.499 1.00 13.41 H new ATOM 0 HB3 TRP A 9 6.339 -0.388 -9.219 1.00 13.41 H new ATOM 0 HD1 TRP A 9 8.255 0.921 -10.370 1.00 63.42 H new ATOM 0 HE1 TRP A 9 8.454 2.949 -11.964 1.00 4.41 H new ATOM 0 HE3 TRP A 9 3.322 2.247 -10.516 1.00 3.34 H new ATOM 0 HZ2 TRP A 9 6.706 4.832 -13.109 1.00 33.35 H new ATOM 0 HZ3 TRP A 9 2.658 4.179 -11.890 1.00 64.23 H new ATOM 0 HH2 TRP A 9 4.329 5.453 -13.169 1.00 33.22 H new ATOM 134 N LYS A 10 5.742 -1.602 -11.589 1.00 75.41 N ATOM 135 CA LYS A 10 6.146 -2.123 -12.889 1.00 34.52 C ATOM 136 C LYS A 10 4.995 -2.866 -13.560 1.00 64.32 C ATOM 137 O LYS A 10 4.861 -2.847 -14.783 1.00 20.01 O ATOM 138 CB LYS A 10 7.350 -3.056 -12.736 1.00 34.30 C ATOM 139 CG LYS A 10 8.188 -3.178 -13.996 1.00 60.32 C ATOM 140 CD LYS A 10 7.862 -4.449 -14.762 1.00 43.42 C ATOM 141 CE LYS A 10 8.930 -4.766 -15.798 1.00 34.02 C ATOM 142 NZ LYS A 10 8.363 -5.474 -16.979 1.00 31.12 N ATOM 0 H LYS A 10 6.357 -1.867 -10.819 1.00 75.41 H new ATOM 0 HA LYS A 10 6.426 -1.279 -13.519 1.00 34.52 H new ATOM 0 HB2 LYS A 10 7.980 -2.692 -11.924 1.00 34.30 H new ATOM 0 HB3 LYS A 10 6.997 -4.046 -12.447 1.00 34.30 H new ATOM 0 HG2 LYS A 10 8.014 -2.312 -14.635 1.00 60.32 H new ATOM 0 HG3 LYS A 10 9.246 -3.172 -13.733 1.00 60.32 H new ATOM 0 HD2 LYS A 10 7.772 -5.282 -14.065 1.00 43.42 H new ATOM 0 HD3 LYS A 10 6.896 -4.340 -15.255 1.00 43.42 H new ATOM 0 HE2 LYS A 10 9.407 -3.841 -16.123 1.00 34.02 H new ATOM 0 HE3 LYS A 10 9.706 -5.382 -15.343 1.00 34.02 H new ATOM 0 HZ1 LYS A 10 9.122 -5.672 -17.662 1.00 31.12 H new ATOM 0 HZ2 LYS A 10 7.930 -6.369 -16.673 1.00 31.12 H new ATOM 0 HZ3 LYS A 10 7.640 -4.876 -17.428 1.00 31.12 H new ATOM 156 N MET A 11 4.168 -3.520 -12.751 1.00 72.02 N ATOM 157 CA MET A 11 3.027 -4.267 -13.267 1.00 64.33 C ATOM 158 C MET A 11 1.958 -3.323 -13.806 1.00 33.13 C ATOM 159 O MET A 11 1.486 -3.482 -14.933 1.00 44.22 O ATOM 160 CB MET A 11 2.434 -5.154 -12.171 1.00 44.30 C ATOM 161 CG MET A 11 1.287 -6.028 -12.651 1.00 2.35 C ATOM 162 SD MET A 11 0.743 -7.209 -11.402 1.00 10.33 S ATOM 163 CE MET A 11 0.457 -8.662 -12.410 1.00 41.40 C ATOM 0 H MET A 11 4.267 -3.548 -11.736 1.00 72.02 H new ATOM 0 HA MET A 11 3.377 -4.897 -14.085 1.00 64.33 H new ATOM 0 HB2 MET A 11 3.220 -5.791 -11.765 1.00 44.30 H new ATOM 0 HB3 MET A 11 2.082 -4.523 -11.355 1.00 44.30 H new ATOM 0 HG2 MET A 11 0.447 -5.394 -12.936 1.00 2.35 H new ATOM 0 HG3 MET A 11 1.597 -6.568 -13.546 1.00 2.35 H new ATOM 0 HE1 MET A 11 0.115 -9.482 -11.778 1.00 41.40 H new ATOM 0 HE2 MET A 11 -0.302 -8.441 -13.160 1.00 41.40 H new ATOM 0 HE3 MET A 11 1.384 -8.949 -12.906 1.00 41.40 H new ATOM 173 N ALA A 12 1.579 -2.339 -12.997 1.00 50.55 N ATOM 174 CA ALA A 12 0.566 -1.370 -13.394 1.00 21.31 C ATOM 175 C ALA A 12 0.959 -0.667 -14.690 1.00 75.43 C ATOM 176 O ALA A 12 0.145 -0.530 -15.603 1.00 13.43 O ATOM 177 CB ALA A 12 0.346 -0.352 -12.285 1.00 60.02 C ATOM 0 H ALA A 12 1.959 -2.192 -12.062 1.00 50.55 H new ATOM 0 HA ALA A 12 -0.367 -1.906 -13.569 1.00 21.31 H new ATOM 0 HB1 ALA A 12 -0.413 0.366 -12.595 1.00 60.02 H new ATOM 0 HB2 ALA A 12 0.014 -0.864 -11.382 1.00 60.02 H new ATOM 0 HB3 ALA A 12 1.280 0.173 -12.082 1.00 60.02 H new ATOM 183 N ILE A 13 2.209 -0.222 -14.761 1.00 72.12 N ATOM 184 CA ILE A 13 2.707 0.467 -15.944 1.00 4.23 C ATOM 185 C ILE A 13 2.895 -0.503 -17.106 1.00 22.32 C ATOM 186 O ILE A 13 2.861 -0.107 -18.272 1.00 31.43 O ATOM 187 CB ILE A 13 4.046 1.176 -15.661 1.00 51.41 C ATOM 188 CG1 ILE A 13 3.864 2.242 -14.579 1.00 74.01 C ATOM 189 CG2 ILE A 13 4.597 1.795 -16.937 1.00 35.40 C ATOM 190 CD1 ILE A 13 2.974 3.389 -15.005 1.00 65.11 C ATOM 0 H ILE A 13 2.895 -0.326 -14.013 1.00 72.12 H new ATOM 0 HA ILE A 13 1.959 1.213 -16.213 1.00 4.23 H new ATOM 0 HB ILE A 13 4.763 0.438 -15.300 1.00 51.41 H new ATOM 0 HG12 ILE A 13 3.442 1.776 -13.689 1.00 74.01 H new ATOM 0 HG13 ILE A 13 4.841 2.635 -14.300 1.00 74.01 H new ATOM 0 HG21 ILE A 13 5.543 2.292 -16.721 1.00 35.40 H new ATOM 0 HG22 ILE A 13 4.759 1.014 -17.680 1.00 35.40 H new ATOM 0 HG23 ILE A 13 3.885 2.523 -17.325 1.00 35.40 H new ATOM 0 HD11 ILE A 13 2.890 4.107 -14.189 1.00 65.11 H new ATOM 0 HD12 ILE A 13 3.406 3.880 -15.877 1.00 65.11 H new ATOM 0 HD13 ILE A 13 1.984 3.008 -15.256 1.00 65.11 H new ATOM 202 N LYS A 14 3.091 -1.776 -16.781 1.00 12.02 N ATOM 203 CA LYS A 14 3.280 -2.805 -17.797 1.00 23.21 C ATOM 204 C LYS A 14 1.987 -3.054 -18.566 1.00 35.25 C ATOM 205 O LYS A 14 2.010 -3.298 -19.774 1.00 73.25 O ATOM 206 CB LYS A 14 3.761 -4.107 -17.151 1.00 74.42 C ATOM 207 CG LYS A 14 3.759 -5.293 -18.100 1.00 62.22 C ATOM 208 CD LYS A 14 4.877 -6.269 -17.772 1.00 40.24 C ATOM 209 CE LYS A 14 4.534 -7.680 -18.227 1.00 65.13 C ATOM 210 NZ LYS A 14 5.149 -8.002 -19.544 1.00 54.22 N ATOM 0 H LYS A 14 3.123 -2.120 -15.821 1.00 12.02 H new ATOM 0 HA LYS A 14 4.037 -2.453 -18.498 1.00 23.21 H new ATOM 0 HB2 LYS A 14 4.771 -3.961 -16.767 1.00 74.42 H new ATOM 0 HB3 LYS A 14 3.125 -4.335 -16.296 1.00 74.42 H new ATOM 0 HG2 LYS A 14 2.799 -5.805 -18.042 1.00 62.22 H new ATOM 0 HG3 LYS A 14 3.871 -4.940 -19.125 1.00 62.22 H new ATOM 0 HD2 LYS A 14 5.799 -5.944 -18.254 1.00 40.24 H new ATOM 0 HD3 LYS A 14 5.061 -6.266 -16.698 1.00 40.24 H new ATOM 0 HE2 LYS A 14 4.878 -8.396 -17.481 1.00 65.13 H new ATOM 0 HE3 LYS A 14 3.451 -7.786 -18.296 1.00 65.13 H new ATOM 0 HZ1 LYS A 14 4.892 -8.971 -19.819 1.00 54.22 H new ATOM 0 HZ2 LYS A 14 4.802 -7.335 -20.262 1.00 54.22 H new ATOM 0 HZ3 LYS A 14 6.184 -7.925 -19.472 1.00 54.22 H new ATOM 224 N ARG A 15 0.863 -2.990 -17.862 1.00 14.40 N ATOM 225 CA ARG A 15 -0.440 -3.209 -18.480 1.00 51.32 C ATOM 226 C ARG A 15 -0.929 -1.944 -19.180 1.00 24.33 C ATOM 227 O ARG A 15 -1.513 -2.009 -20.262 1.00 50.32 O ATOM 228 CB ARG A 15 -1.460 -3.648 -17.428 1.00 41.24 C ATOM 229 CG ARG A 15 -1.126 -4.979 -16.774 1.00 21.33 C ATOM 230 CD ARG A 15 -1.474 -6.148 -17.682 1.00 2.44 C ATOM 231 NE ARG A 15 -2.141 -7.226 -16.956 1.00 10.10 N ATOM 232 CZ ARG A 15 -2.752 -8.245 -17.551 1.00 12.14 C ATOM 233 NH1 ARG A 15 -2.778 -8.325 -18.874 1.00 34.25 N ATOM 234 NH2 ARG A 15 -3.336 -9.186 -16.821 1.00 15.32 N ATOM 0 H ARG A 15 0.827 -2.788 -16.863 1.00 14.40 H new ATOM 0 HA ARG A 15 -0.333 -3.998 -19.224 1.00 51.32 H new ATOM 0 HB2 ARG A 15 -1.527 -2.881 -16.657 1.00 41.24 H new ATOM 0 HB3 ARG A 15 -2.443 -3.718 -17.894 1.00 41.24 H new ATOM 0 HG2 ARG A 15 -0.064 -5.010 -16.530 1.00 21.33 H new ATOM 0 HG3 ARG A 15 -1.671 -5.071 -15.835 1.00 21.33 H new ATOM 0 HD2 ARG A 15 -2.120 -5.801 -18.489 1.00 2.44 H new ATOM 0 HD3 ARG A 15 -0.564 -6.531 -18.144 1.00 2.44 H new ATOM 0 HE ARG A 15 -2.138 -7.195 -15.936 1.00 10.10 H new ATOM 0 HH11 ARG A 15 -2.328 -7.603 -19.437 1.00 34.25 H new ATOM 0 HH12 ARG A 15 -3.248 -9.108 -19.328 1.00 34.25 H new ATOM 0 HH21 ARG A 15 -3.316 -9.127 -15.803 1.00 15.32 H new ATOM 0 HH22 ARG A 15 -3.805 -9.968 -17.278 1.00 15.32 H new ATOM 248 N CYS A 16 -0.685 -0.797 -18.557 1.00 1.40 N ATOM 249 CA CYS A 16 -1.100 0.483 -19.120 1.00 52.24 C ATOM 250 C CYS A 16 -0.421 0.733 -20.461 1.00 14.44 C ATOM 251 O CYS A 16 -1.027 1.279 -21.383 1.00 12.11 O ATOM 252 CB CYS A 16 -0.776 1.620 -18.150 1.00 50.13 C ATOM 253 SG CYS A 16 -1.097 3.271 -18.813 1.00 14.50 S ATOM 0 H CYS A 16 -0.202 -0.727 -17.661 1.00 1.40 H new ATOM 0 HA CYS A 16 -2.178 0.449 -19.280 1.00 52.24 H new ATOM 0 HB2 CYS A 16 -1.362 1.485 -17.241 1.00 50.13 H new ATOM 0 HB3 CYS A 16 0.274 1.552 -17.866 1.00 50.13 H new ATOM 0 HG CYS A 16 -0.794 4.164 -17.918 1.00 14.50 H new ATOM 259 N SER A 17 0.842 0.331 -20.563 1.00 30.05 N ATOM 260 CA SER A 17 1.606 0.517 -21.791 1.00 12.05 C ATOM 261 C SER A 17 0.885 -0.110 -22.981 1.00 72.45 C ATOM 262 O SER A 17 1.064 0.314 -24.122 1.00 10.41 O ATOM 263 CB SER A 17 3.001 -0.095 -21.646 1.00 13.33 C ATOM 264 OG SER A 17 3.430 -0.681 -22.863 1.00 31.22 O ATOM 0 H SER A 17 1.357 -0.125 -19.810 1.00 30.05 H new ATOM 0 HA SER A 17 1.703 1.588 -21.970 1.00 12.05 H new ATOM 0 HB2 SER A 17 3.709 0.675 -21.340 1.00 13.33 H new ATOM 0 HB3 SER A 17 2.991 -0.849 -20.859 1.00 13.33 H new ATOM 0 HG SER A 17 4.324 -1.063 -22.744 1.00 31.22 H new ATOM 270 N ASN A 18 0.069 -1.121 -22.704 1.00 54.03 N ATOM 271 CA ASN A 18 -0.680 -1.808 -23.750 1.00 73.33 C ATOM 272 C ASN A 18 -2.097 -1.252 -23.858 1.00 42.23 C ATOM 273 O ASN A 18 -3.022 -1.957 -24.263 1.00 71.12 O ATOM 274 CB ASN A 18 -0.729 -3.310 -23.468 1.00 51.31 C ATOM 275 CG ASN A 18 -1.224 -4.106 -24.660 1.00 4.31 C ATOM 276 OD1 ASN A 18 -0.688 -3.992 -25.763 1.00 23.31 O ATOM 277 ND2 ASN A 18 -2.252 -4.918 -24.444 1.00 42.34 N ATOM 0 H ASN A 18 -0.091 -1.483 -21.764 1.00 54.03 H new ATOM 0 HA ASN A 18 -0.170 -1.640 -24.698 1.00 73.33 H new ATOM 0 HB2 ASN A 18 0.266 -3.657 -23.190 1.00 51.31 H new ATOM 0 HB3 ASN A 18 -1.381 -3.496 -22.614 1.00 51.31 H new ATOM 0 HD21 ASN A 18 -2.628 -5.479 -25.208 1.00 42.34 H new ATOM 0 HD22 ASN A 18 -2.665 -4.981 -23.514 1.00 42.34 H new ATOM 284 N VAL A 19 -2.260 0.016 -23.493 1.00 12.41 N ATOM 285 CA VAL A 19 -3.563 0.666 -23.550 1.00 20.15 C ATOM 286 C VAL A 19 -3.551 1.835 -24.529 1.00 0.01 C ATOM 287 O VAL A 19 -2.546 2.532 -24.667 1.00 73.54 O ATOM 288 CB VAL A 19 -3.997 1.177 -22.164 1.00 41.41 C ATOM 289 CG1 VAL A 19 -5.394 1.774 -22.228 1.00 40.31 C ATOM 290 CG2 VAL A 19 -3.936 0.053 -21.140 1.00 52.22 C ATOM 0 H VAL A 19 -1.505 0.613 -23.155 1.00 12.41 H new ATOM 0 HA VAL A 19 -4.276 -0.084 -23.892 1.00 20.15 H new ATOM 0 HB VAL A 19 -3.307 1.961 -21.852 1.00 41.41 H new ATOM 0 HG11 VAL A 19 -5.683 2.130 -21.239 1.00 40.31 H new ATOM 0 HG12 VAL A 19 -5.402 2.608 -22.930 1.00 40.31 H new ATOM 0 HG13 VAL A 19 -6.100 1.013 -22.561 1.00 40.31 H new ATOM 0 HG21 VAL A 19 -4.246 0.431 -20.166 1.00 52.22 H new ATOM 0 HG22 VAL A 19 -4.603 -0.754 -21.445 1.00 52.22 H new ATOM 0 HG23 VAL A 19 -2.916 -0.325 -21.075 1.00 52.22 H new ATOM 300 N ALA A 20 -4.675 2.044 -25.207 1.00 40.22 N ATOM 301 CA ALA A 20 -4.794 3.130 -26.171 1.00 15.54 C ATOM 302 C ALA A 20 -5.227 4.423 -25.490 1.00 15.14 C ATOM 303 O ALA A 20 -5.982 4.403 -24.519 1.00 52.14 O ATOM 304 CB ALA A 20 -5.780 2.755 -27.270 1.00 23.42 C ATOM 0 H ALA A 20 -5.516 1.475 -25.106 1.00 40.22 H new ATOM 0 HA ALA A 20 -3.814 3.295 -26.618 1.00 15.54 H new ATOM 0 HB1 ALA A 20 -5.859 3.575 -27.983 1.00 23.42 H new ATOM 0 HB2 ALA A 20 -5.429 1.860 -27.784 1.00 23.42 H new ATOM 0 HB3 ALA A 20 -6.758 2.561 -26.830 1.00 23.42 H new ATOM 310 N VAL A 21 -4.743 5.549 -26.006 1.00 62.53 N ATOM 311 CA VAL A 21 -5.079 6.853 -25.447 1.00 55.54 C ATOM 312 C VAL A 21 -6.542 7.200 -25.702 1.00 3.52 C ATOM 313 O VAL A 21 -7.162 7.931 -24.932 1.00 75.14 O ATOM 314 CB VAL A 21 -4.190 7.964 -26.036 1.00 43.12 C ATOM 315 CG1 VAL A 21 -2.729 7.718 -25.690 1.00 60.43 C ATOM 316 CG2 VAL A 21 -4.380 8.055 -27.543 1.00 51.32 C ATOM 0 H VAL A 21 -4.117 5.584 -26.810 1.00 62.53 H new ATOM 0 HA VAL A 21 -4.905 6.790 -24.373 1.00 55.54 H new ATOM 0 HB VAL A 21 -4.488 8.916 -25.596 1.00 43.12 H new ATOM 0 HG11 VAL A 21 -2.116 8.513 -26.114 1.00 60.43 H new ATOM 0 HG12 VAL A 21 -2.609 7.706 -24.607 1.00 60.43 H new ATOM 0 HG13 VAL A 21 -2.414 6.759 -26.101 1.00 60.43 H new ATOM 0 HG21 VAL A 21 -3.744 8.845 -27.943 1.00 51.32 H new ATOM 0 HG22 VAL A 21 -4.109 7.104 -28.002 1.00 51.32 H new ATOM 0 HG23 VAL A 21 -5.423 8.281 -27.765 1.00 51.32 H new ATOM 326 N GLY A 22 -7.089 6.667 -26.792 1.00 54.22 N ATOM 327 CA GLY A 22 -8.475 6.931 -27.131 1.00 74.15 C ATOM 328 C GLY A 22 -8.768 6.696 -28.599 1.00 54.13 C ATOM 329 O GLY A 22 -7.916 6.202 -29.338 1.00 53.01 O ATOM 0 H GLY A 22 -6.597 6.058 -27.445 1.00 54.22 H new ATOM 0 HA2 GLY A 22 -9.121 6.293 -26.528 1.00 74.15 H new ATOM 0 HA3 GLY A 22 -8.718 7.962 -26.876 1.00 74.15 H new ATOM 333 N VAL A 23 -9.977 7.050 -29.024 1.00 41.12 N ATOM 334 CA VAL A 23 -10.381 6.873 -30.414 1.00 34.30 C ATOM 335 C VAL A 23 -9.593 7.797 -31.336 1.00 70.40 C ATOM 336 O VAL A 23 -9.392 7.494 -32.511 1.00 73.04 O ATOM 337 CB VAL A 23 -11.886 7.143 -30.599 1.00 12.12 C ATOM 338 CG1 VAL A 23 -12.305 6.870 -32.036 1.00 3.11 C ATOM 339 CG2 VAL A 23 -12.701 6.302 -29.629 1.00 44.02 C ATOM 0 H VAL A 23 -10.694 7.461 -28.426 1.00 41.12 H new ATOM 0 HA VAL A 23 -10.170 5.836 -30.676 1.00 34.30 H new ATOM 0 HB VAL A 23 -12.078 8.194 -30.383 1.00 12.12 H new ATOM 0 HG11 VAL A 23 -13.371 7.066 -32.148 1.00 3.11 H new ATOM 0 HG12 VAL A 23 -11.744 7.520 -32.708 1.00 3.11 H new ATOM 0 HG13 VAL A 23 -12.100 5.828 -32.283 1.00 3.11 H new ATOM 0 HG21 VAL A 23 -13.762 6.506 -29.774 1.00 44.02 H new ATOM 0 HG22 VAL A 23 -12.506 5.245 -29.811 1.00 44.02 H new ATOM 0 HG23 VAL A 23 -12.420 6.552 -28.606 1.00 44.02 H new ATOM 349 N GLY A 24 -9.148 8.927 -30.794 1.00 60.54 N ATOM 350 CA GLY A 24 -8.386 9.878 -31.581 1.00 0.01 C ATOM 351 C GLY A 24 -7.060 9.312 -32.052 1.00 53.23 C ATOM 352 O GLY A 24 -6.540 9.712 -33.092 1.00 63.32 O ATOM 0 H GLY A 24 -9.302 9.200 -29.823 1.00 60.54 H new ATOM 0 HA2 GLY A 24 -8.975 10.183 -32.446 1.00 0.01 H new ATOM 0 HA3 GLY A 24 -8.205 10.774 -30.987 1.00 0.01 H new ATOM 356 N GLY A 25 -6.512 8.377 -31.281 1.00 4.00 N ATOM 357 CA GLY A 25 -5.242 7.771 -31.640 1.00 73.41 C ATOM 358 C GLY A 25 -5.412 6.421 -32.307 1.00 60.41 C ATOM 359 O GLY A 25 -5.981 5.499 -31.722 1.00 4.22 O ATOM 0 H GLY A 25 -6.924 8.029 -30.415 1.00 4.00 H new ATOM 0 HA2 GLY A 25 -4.701 8.439 -32.311 1.00 73.41 H new ATOM 0 HA3 GLY A 25 -4.632 7.656 -30.744 1.00 73.41 H new ATOM 363 N LYS A 26 -4.920 6.304 -33.535 1.00 14.35 N ATOM 364 CA LYS A 26 -5.021 5.057 -34.284 1.00 4.11 C ATOM 365 C LYS A 26 -4.228 3.947 -33.601 1.00 1.21 C ATOM 366 O LYS A 26 -4.745 2.854 -33.369 1.00 62.31 O ATOM 367 CB LYS A 26 -4.513 5.254 -35.715 1.00 75.22 C ATOM 368 CG LYS A 26 -4.613 4.006 -36.573 1.00 1.42 C ATOM 369 CD LYS A 26 -3.784 4.132 -37.840 1.00 14.52 C ATOM 370 CE LYS A 26 -3.857 2.867 -38.683 1.00 75.44 C ATOM 371 NZ LYS A 26 -5.122 2.794 -39.465 1.00 75.32 N ATOM 0 H LYS A 26 -4.447 7.058 -34.033 1.00 14.35 H new ATOM 0 HA LYS A 26 -6.071 4.765 -34.315 1.00 4.11 H new ATOM 0 HB2 LYS A 26 -5.082 6.055 -36.186 1.00 75.22 H new ATOM 0 HB3 LYS A 26 -3.473 5.579 -35.681 1.00 75.22 H new ATOM 0 HG2 LYS A 26 -4.275 3.142 -36.001 1.00 1.42 H new ATOM 0 HG3 LYS A 26 -5.656 3.827 -36.836 1.00 1.42 H new ATOM 0 HD2 LYS A 26 -4.138 4.981 -38.425 1.00 14.52 H new ATOM 0 HD3 LYS A 26 -2.746 4.336 -37.578 1.00 14.52 H new ATOM 0 HE2 LYS A 26 -3.007 2.835 -39.364 1.00 75.44 H new ATOM 0 HE3 LYS A 26 -3.780 1.994 -38.035 1.00 75.44 H new ATOM 0 HZ1 LYS A 26 -5.133 1.918 -40.026 1.00 75.32 H new ATOM 0 HZ2 LYS A 26 -5.933 2.799 -38.814 1.00 75.32 H new ATOM 0 HZ3 LYS A 26 -5.184 3.614 -40.102 1.00 75.32 H new ATOM 385 N SER A 27 -2.970 4.235 -33.281 1.00 5.43 N ATOM 386 CA SER A 27 -2.105 3.260 -32.627 1.00 62.50 C ATOM 387 C SER A 27 -1.204 3.937 -31.599 1.00 72.51 C ATOM 388 O SER A 27 -0.013 3.638 -31.506 1.00 70.11 O ATOM 389 CB SER A 27 -1.253 2.526 -33.664 1.00 2.31 C ATOM 390 OG SER A 27 -2.058 1.717 -34.504 1.00 1.34 O ATOM 0 H SER A 27 -2.527 5.136 -33.464 1.00 5.43 H new ATOM 0 HA SER A 27 -2.738 2.538 -32.111 1.00 62.50 H new ATOM 0 HB2 SER A 27 -0.705 3.250 -34.267 1.00 2.31 H new ATOM 0 HB3 SER A 27 -0.512 1.907 -33.158 1.00 2.31 H new ATOM 0 HG SER A 27 -1.491 1.260 -35.159 1.00 1.34 H new ATOM 396 N LYS A 28 -1.780 4.853 -30.828 1.00 34.42 N ATOM 397 CA LYS A 28 -1.032 5.574 -29.805 1.00 44.23 C ATOM 398 C LYS A 28 -1.240 4.942 -28.432 1.00 13.12 C ATOM 399 O LYS A 28 -2.327 5.023 -27.859 1.00 50.32 O ATOM 400 CB LYS A 28 -1.459 7.044 -29.772 1.00 0.45 C ATOM 401 CG LYS A 28 -0.318 8.001 -29.476 1.00 71.34 C ATOM 402 CD LYS A 28 -0.137 9.015 -30.594 1.00 65.42 C ATOM 403 CE LYS A 28 1.119 9.850 -30.391 1.00 42.51 C ATOM 404 NZ LYS A 28 1.080 11.111 -31.181 1.00 23.11 N ATOM 0 H LYS A 28 -2.764 5.114 -30.892 1.00 34.42 H new ATOM 0 HA LYS A 28 0.027 5.515 -30.056 1.00 44.23 H new ATOM 0 HB2 LYS A 28 -1.903 7.307 -30.732 1.00 0.45 H new ATOM 0 HB3 LYS A 28 -2.235 7.172 -29.017 1.00 0.45 H new ATOM 0 HG2 LYS A 28 -0.513 8.522 -28.539 1.00 71.34 H new ATOM 0 HG3 LYS A 28 0.605 7.437 -29.341 1.00 71.34 H new ATOM 0 HD2 LYS A 28 -0.080 8.497 -31.551 1.00 65.42 H new ATOM 0 HD3 LYS A 28 -1.007 9.670 -30.637 1.00 65.42 H new ATOM 0 HE2 LYS A 28 1.230 10.088 -29.333 1.00 42.51 H new ATOM 0 HE3 LYS A 28 1.993 9.267 -30.680 1.00 42.51 H new ATOM 0 HZ1 LYS A 28 1.953 11.651 -31.016 1.00 23.11 H new ATOM 0 HZ2 LYS A 28 1.000 10.884 -32.193 1.00 23.11 H new ATOM 0 HZ3 LYS A 28 0.260 11.679 -30.887 1.00 23.11 H new ATOM 418 N LYS A 29 -0.192 4.315 -27.909 1.00 31.21 N ATOM 419 CA LYS A 29 -0.259 3.672 -26.603 1.00 62.32 C ATOM 420 C LYS A 29 0.360 4.561 -25.527 1.00 51.32 C ATOM 421 O LYS A 29 1.209 5.404 -25.817 1.00 42.43 O ATOM 422 CB LYS A 29 0.459 2.322 -26.639 1.00 25.22 C ATOM 423 CG LYS A 29 -0.340 1.225 -27.322 1.00 30.41 C ATOM 424 CD LYS A 29 0.565 0.133 -27.867 1.00 35.15 C ATOM 425 CE LYS A 29 0.648 0.186 -29.385 1.00 2.10 C ATOM 426 NZ LYS A 29 -0.149 -0.898 -30.022 1.00 54.41 N ATOM 0 H LYS A 29 0.714 4.239 -28.370 1.00 31.21 H new ATOM 0 HA LYS A 29 -1.309 3.511 -26.358 1.00 62.32 H new ATOM 0 HB2 LYS A 29 1.412 2.441 -27.155 1.00 25.22 H new ATOM 0 HB3 LYS A 29 0.685 2.013 -25.618 1.00 25.22 H new ATOM 0 HG2 LYS A 29 -1.047 0.793 -26.613 1.00 30.41 H new ATOM 0 HG3 LYS A 29 -0.926 1.653 -28.135 1.00 30.41 H new ATOM 0 HD2 LYS A 29 1.563 0.240 -27.443 1.00 35.15 H new ATOM 0 HD3 LYS A 29 0.190 -0.842 -27.556 1.00 35.15 H new ATOM 0 HE2 LYS A 29 0.289 1.154 -29.735 1.00 2.10 H new ATOM 0 HE3 LYS A 29 1.690 0.101 -29.695 1.00 2.10 H new ATOM 0 HZ1 LYS A 29 -0.067 -0.828 -31.056 1.00 54.41 H new ATOM 0 HZ2 LYS A 29 0.209 -1.823 -29.708 1.00 54.41 H new ATOM 0 HZ3 LYS A 29 -1.147 -0.802 -29.747 1.00 54.41 H new ATOM 440 N PHE A 30 -0.071 4.365 -24.285 1.00 72.10 N ATOM 441 CA PHE A 30 0.441 5.148 -23.167 1.00 40.04 C ATOM 442 C PHE A 30 1.949 4.970 -23.024 1.00 24.54 C ATOM 443 O PHE A 30 2.472 3.866 -23.163 1.00 1.33 O ATOM 444 CB PHE A 30 -0.257 4.738 -21.868 1.00 41.21 C ATOM 445 CG PHE A 30 -1.359 5.673 -21.458 1.00 51.43 C ATOM 446 CD1 PHE A 30 -1.075 6.971 -21.067 1.00 25.25 C ATOM 447 CD2 PHE A 30 -2.679 5.253 -21.464 1.00 12.03 C ATOM 448 CE1 PHE A 30 -2.086 7.834 -20.690 1.00 33.04 C ATOM 449 CE2 PHE A 30 -3.695 6.111 -21.088 1.00 14.11 C ATOM 450 CZ PHE A 30 -3.398 7.403 -20.700 1.00 73.15 C ATOM 0 H PHE A 30 -0.773 3.671 -24.028 1.00 72.10 H new ATOM 0 HA PHE A 30 0.234 6.199 -23.367 1.00 40.04 H new ATOM 0 HB2 PHE A 30 -0.668 3.735 -21.987 1.00 41.21 H new ATOM 0 HB3 PHE A 30 0.482 4.687 -21.068 1.00 41.21 H new ATOM 0 HD1 PHE A 30 -0.051 7.313 -21.057 1.00 25.25 H new ATOM 0 HD2 PHE A 30 -2.917 4.244 -21.766 1.00 12.03 H new ATOM 0 HE1 PHE A 30 -1.851 8.844 -20.388 1.00 33.04 H new ATOM 0 HE2 PHE A 30 -4.720 5.772 -21.098 1.00 14.11 H new ATOM 0 HZ PHE A 30 -4.190 8.075 -20.405 1.00 73.15 H new ATOM 460 N GLY A 31 2.645 6.070 -22.745 1.00 13.31 N ATOM 461 CA GLY A 31 4.086 6.015 -22.590 1.00 24.43 C ATOM 462 C GLY A 31 4.524 6.238 -21.156 1.00 72.41 C ATOM 463 O GLY A 31 3.698 6.515 -20.285 1.00 44.31 O ATOM 0 H GLY A 31 2.236 6.996 -22.624 1.00 13.31 H new ATOM 0 HA2 GLY A 31 4.448 5.045 -22.931 1.00 24.43 H new ATOM 0 HA3 GLY A 31 4.546 6.769 -23.229 1.00 24.43 H new ATOM 467 N GLU A 32 5.824 6.117 -20.909 1.00 3.11 N ATOM 468 CA GLU A 32 6.368 6.304 -19.568 1.00 13.23 C ATOM 469 C GLU A 32 6.252 7.763 -19.134 1.00 42.11 C ATOM 470 O GLU A 32 5.608 8.074 -18.133 1.00 21.24 O ATOM 471 CB GLU A 32 7.831 5.861 -19.521 1.00 43.22 C ATOM 472 CG GLU A 32 8.242 5.261 -18.187 1.00 23.30 C ATOM 473 CD GLU A 32 9.556 4.508 -18.265 1.00 63.40 C ATOM 474 OE1 GLU A 32 9.661 3.432 -17.640 1.00 21.12 O ATOM 475 OE2 GLU A 32 10.479 4.995 -18.951 1.00 45.15 O ATOM 0 H GLU A 32 6.520 5.890 -21.619 1.00 3.11 H new ATOM 0 HA GLU A 32 5.788 5.690 -18.879 1.00 13.23 H new ATOM 0 HB2 GLU A 32 8.006 5.128 -20.309 1.00 43.22 H new ATOM 0 HB3 GLU A 32 8.469 6.718 -19.736 1.00 43.22 H new ATOM 0 HG2 GLU A 32 8.327 6.056 -17.446 1.00 23.30 H new ATOM 0 HG3 GLU A 32 7.460 4.585 -17.841 1.00 23.30 H new ATOM 482 N GLY A 33 6.882 8.652 -19.895 1.00 13.44 N ATOM 483 CA GLY A 33 6.839 10.067 -19.573 1.00 14.35 C ATOM 484 C GLY A 33 5.431 10.627 -19.610 1.00 1.03 C ATOM 485 O GLY A 33 5.088 11.515 -18.830 1.00 3.24 O ATOM 0 H GLY A 33 7.421 8.418 -20.729 1.00 13.44 H new ATOM 0 HA2 GLY A 33 7.263 10.224 -18.581 1.00 14.35 H new ATOM 0 HA3 GLY A 33 7.464 10.616 -20.277 1.00 14.35 H new ATOM 489 N ASN A 34 4.614 10.109 -20.521 1.00 30.05 N ATOM 490 CA ASN A 34 3.236 10.566 -20.660 1.00 61.04 C ATOM 491 C ASN A 34 2.450 10.322 -19.374 1.00 65.52 C ATOM 492 O ASN A 34 1.859 11.243 -18.810 1.00 0.14 O ATOM 493 CB ASN A 34 2.554 9.852 -21.828 1.00 31.14 C ATOM 494 CG ASN A 34 2.981 10.409 -23.173 1.00 41.31 C ATOM 495 OD1 ASN A 34 2.992 11.622 -23.380 1.00 33.13 O ATOM 496 ND2 ASN A 34 3.335 9.521 -24.095 1.00 24.11 N ATOM 0 H ASN A 34 4.882 9.373 -21.174 1.00 30.05 H new ATOM 0 HA ASN A 34 3.254 11.638 -20.858 1.00 61.04 H new ATOM 0 HB2 ASN A 34 2.788 8.788 -21.787 1.00 31.14 H new ATOM 0 HB3 ASN A 34 1.473 9.945 -21.726 1.00 31.14 H new ATOM 0 HD21 ASN A 34 3.631 9.836 -25.019 1.00 24.11 H new ATOM 0 HD22 ASN A 34 3.311 8.524 -23.879 1.00 24.11 H new ATOM 503 N PHE A 35 2.451 9.075 -18.915 1.00 63.44 N ATOM 504 CA PHE A 35 1.739 8.709 -17.695 1.00 4.31 C ATOM 505 C PHE A 35 2.304 9.455 -16.491 1.00 63.11 C ATOM 506 O PHE A 35 1.564 9.857 -15.593 1.00 34.11 O ATOM 507 CB PHE A 35 1.828 7.199 -17.461 1.00 13.51 C ATOM 508 CG PHE A 35 1.302 6.768 -16.122 1.00 23.23 C ATOM 509 CD1 PHE A 35 -0.060 6.634 -15.908 1.00 14.43 C ATOM 510 CD2 PHE A 35 2.170 6.499 -15.076 1.00 1.43 C ATOM 511 CE1 PHE A 35 -0.547 6.237 -14.677 1.00 32.14 C ATOM 512 CE2 PHE A 35 1.689 6.102 -13.843 1.00 0.42 C ATOM 513 CZ PHE A 35 0.329 5.971 -13.643 1.00 62.33 C ATOM 0 H PHE A 35 2.936 8.301 -19.369 1.00 63.44 H new ATOM 0 HA PHE A 35 0.693 8.990 -17.816 1.00 4.31 H new ATOM 0 HB2 PHE A 35 1.271 6.685 -18.244 1.00 13.51 H new ATOM 0 HB3 PHE A 35 2.868 6.886 -17.552 1.00 13.51 H new ATOM 0 HD1 PHE A 35 -0.750 6.842 -16.713 1.00 14.43 H new ATOM 0 HD2 PHE A 35 3.235 6.601 -15.226 1.00 1.43 H new ATOM 0 HE1 PHE A 35 -1.611 6.135 -14.524 1.00 32.14 H new ATOM 0 HE2 PHE A 35 2.376 5.894 -13.036 1.00 0.42 H new ATOM 0 HZ PHE A 35 -0.049 5.661 -12.680 1.00 62.33 H new ATOM 523 N ARG A 36 3.621 9.636 -16.478 1.00 52.11 N ATOM 524 CA ARG A 36 4.287 10.332 -15.383 1.00 35.05 C ATOM 525 C ARG A 36 3.692 11.723 -15.183 1.00 25.23 C ATOM 526 O ARG A 36 3.408 12.130 -14.057 1.00 43.12 O ATOM 527 CB ARG A 36 5.788 10.442 -15.658 1.00 14.51 C ATOM 528 CG ARG A 36 6.577 9.218 -15.226 1.00 3.40 C ATOM 529 CD ARG A 36 7.013 9.320 -13.772 1.00 33.32 C ATOM 530 NE ARG A 36 7.507 8.046 -13.258 1.00 62.33 N ATOM 531 CZ ARG A 36 7.707 7.803 -11.967 1.00 20.21 C ATOM 532 NH1 ARG A 36 7.456 8.743 -11.066 1.00 43.14 N ATOM 533 NH2 ARG A 36 8.159 6.618 -11.576 1.00 51.00 N ATOM 0 H ARG A 36 4.248 9.310 -17.214 1.00 52.11 H new ATOM 0 HA ARG A 36 4.134 9.755 -14.471 1.00 35.05 H new ATOM 0 HB2 ARG A 36 5.942 10.606 -16.725 1.00 14.51 H new ATOM 0 HB3 ARG A 36 6.180 11.318 -15.141 1.00 14.51 H new ATOM 0 HG2 ARG A 36 5.968 8.324 -15.362 1.00 3.40 H new ATOM 0 HG3 ARG A 36 7.454 9.106 -15.863 1.00 3.40 H new ATOM 0 HD2 ARG A 36 7.794 10.075 -13.680 1.00 33.32 H new ATOM 0 HD3 ARG A 36 6.172 9.655 -13.164 1.00 33.32 H new ATOM 0 HE ARG A 36 7.710 7.302 -13.926 1.00 62.33 H new ATOM 0 HH11 ARG A 36 7.109 9.655 -11.363 1.00 43.14 H new ATOM 0 HH12 ARG A 36 7.610 8.554 -10.076 1.00 43.14 H new ATOM 0 HH21 ARG A 36 8.353 5.893 -12.267 1.00 51.00 H new ATOM 0 HH22 ARG A 36 8.312 6.432 -10.585 1.00 51.00 H new ATOM 547 N TRP A 37 3.508 12.446 -16.281 1.00 5.41 N ATOM 548 CA TRP A 37 2.948 13.792 -16.225 1.00 1.01 C ATOM 549 C TRP A 37 1.480 13.753 -15.820 1.00 54.14 C ATOM 550 O TRP A 37 1.000 14.634 -15.106 1.00 61.50 O ATOM 551 CB TRP A 37 3.098 14.485 -17.581 1.00 63.33 C ATOM 552 CG TRP A 37 2.248 15.711 -17.717 1.00 54.25 C ATOM 553 CD1 TRP A 37 2.636 17.005 -17.517 1.00 41.01 C ATOM 554 CD2 TRP A 37 0.864 15.758 -18.083 1.00 72.13 C ATOM 555 NE1 TRP A 37 1.577 17.853 -17.735 1.00 31.51 N ATOM 556 CE2 TRP A 37 0.479 17.112 -18.085 1.00 33.33 C ATOM 557 CE3 TRP A 37 -0.087 14.787 -18.410 1.00 12.00 C ATOM 558 CZ2 TRP A 37 -0.816 17.519 -18.401 1.00 44.14 C ATOM 559 CZ3 TRP A 37 -1.371 15.191 -18.724 1.00 62.41 C ATOM 560 CH2 TRP A 37 -1.725 16.547 -18.718 1.00 75.25 C ATOM 0 H TRP A 37 3.738 12.124 -17.221 1.00 5.41 H new ATOM 0 HA TRP A 37 3.498 14.358 -15.473 1.00 1.01 H new ATOM 0 HB2 TRP A 37 4.143 14.758 -17.728 1.00 63.33 H new ATOM 0 HB3 TRP A 37 2.838 13.781 -18.372 1.00 63.33 H new ATOM 0 HD1 TRP A 37 3.629 17.316 -17.230 1.00 41.01 H new ATOM 0 HE1 TRP A 37 1.604 18.869 -17.650 1.00 31.51 H new ATOM 0 HE3 TRP A 37 0.177 13.740 -18.417 1.00 12.00 H new ATOM 0 HZ2 TRP A 37 -1.092 18.563 -18.396 1.00 44.14 H new ATOM 0 HZ3 TRP A 37 -2.114 14.449 -18.978 1.00 62.41 H new ATOM 0 HH2 TRP A 37 -2.736 16.831 -18.969 1.00 75.25 H new ATOM 571 N ALA A 38 0.769 12.728 -16.278 1.00 2.12 N ATOM 572 CA ALA A 38 -0.645 12.574 -15.960 1.00 11.14 C ATOM 573 C ALA A 38 -0.844 12.259 -14.481 1.00 11.52 C ATOM 574 O ALA A 38 -1.478 13.024 -13.754 1.00 33.44 O ATOM 575 CB ALA A 38 -1.265 11.485 -16.822 1.00 2.21 C ATOM 0 H ALA A 38 1.150 11.991 -16.871 1.00 2.12 H new ATOM 0 HA ALA A 38 -1.145 13.519 -16.174 1.00 11.14 H new ATOM 0 HB1 ALA A 38 -2.321 11.381 -16.573 1.00 2.21 H new ATOM 0 HB2 ALA A 38 -1.164 11.752 -17.874 1.00 2.21 H new ATOM 0 HB3 ALA A 38 -0.754 10.540 -16.637 1.00 2.21 H new ATOM 581 N ILE A 39 -0.301 11.129 -14.044 1.00 1.44 N ATOM 582 CA ILE A 39 -0.419 10.713 -12.652 1.00 70.20 C ATOM 583 C ILE A 39 0.047 11.816 -11.708 1.00 12.41 C ATOM 584 O ILE A 39 -0.537 12.025 -10.644 1.00 21.44 O ATOM 585 CB ILE A 39 0.396 9.436 -12.375 1.00 73.43 C ATOM 586 CG1 ILE A 39 0.231 9.008 -10.914 1.00 20.15 C ATOM 587 CG2 ILE A 39 1.864 9.663 -12.704 1.00 42.53 C ATOM 588 CD1 ILE A 39 -0.262 7.587 -10.753 1.00 3.14 C ATOM 0 H ILE A 39 0.225 10.484 -14.634 1.00 1.44 H new ATOM 0 HA ILE A 39 -1.474 10.506 -12.472 1.00 70.20 H new ATOM 0 HB ILE A 39 0.021 8.636 -13.013 1.00 73.43 H new ATOM 0 HG12 ILE A 39 1.188 9.112 -10.403 1.00 20.15 H new ATOM 0 HG13 ILE A 39 -0.468 9.685 -10.422 1.00 20.15 H new ATOM 0 HG21 ILE A 39 2.427 8.752 -12.503 1.00 42.53 H new ATOM 0 HG22 ILE A 39 1.964 9.927 -13.757 1.00 42.53 H new ATOM 0 HG23 ILE A 39 2.254 10.473 -12.088 1.00 42.53 H new ATOM 0 HD11 ILE A 39 -0.355 7.352 -9.693 1.00 3.14 H new ATOM 0 HD12 ILE A 39 -1.234 7.482 -11.235 1.00 3.14 H new ATOM 0 HD13 ILE A 39 0.448 6.901 -11.215 1.00 3.14 H new ATOM 600 N ARG A 40 1.102 12.521 -12.104 1.00 5.24 N ATOM 601 CA ARG A 40 1.646 13.602 -11.294 1.00 30.42 C ATOM 602 C ARG A 40 0.723 14.818 -11.318 1.00 44.21 C ATOM 603 O ARG A 40 0.504 15.462 -10.292 1.00 0.52 O ATOM 604 CB ARG A 40 3.036 13.996 -11.798 1.00 64.03 C ATOM 605 CG ARG A 40 4.128 13.018 -11.398 1.00 3.13 C ATOM 606 CD ARG A 40 5.489 13.457 -11.918 1.00 72.10 C ATOM 607 NE ARG A 40 6.406 13.793 -10.833 1.00 22.33 N ATOM 608 CZ ARG A 40 7.715 13.952 -11.000 1.00 44.00 C ATOM 609 NH1 ARG A 40 8.255 13.807 -12.202 1.00 43.03 N ATOM 610 NH2 ARG A 40 8.485 14.257 -9.964 1.00 73.41 N ATOM 0 H ARG A 40 1.597 12.362 -12.982 1.00 5.24 H new ATOM 0 HA ARG A 40 1.725 13.247 -10.267 1.00 30.42 H new ATOM 0 HB2 ARG A 40 3.010 14.074 -12.885 1.00 64.03 H new ATOM 0 HB3 ARG A 40 3.286 14.985 -11.413 1.00 64.03 H new ATOM 0 HG2 ARG A 40 4.162 12.934 -10.312 1.00 3.13 H new ATOM 0 HG3 ARG A 40 3.891 12.028 -11.787 1.00 3.13 H new ATOM 0 HD2 ARG A 40 5.920 12.660 -12.523 1.00 72.10 H new ATOM 0 HD3 ARG A 40 5.366 14.322 -12.570 1.00 72.10 H new ATOM 0 HE ARG A 40 6.021 13.912 -9.896 1.00 22.33 H new ATOM 0 HH11 ARG A 40 7.666 13.573 -13.001 1.00 43.03 H new ATOM 0 HH12 ARG A 40 9.260 13.930 -12.328 1.00 43.03 H new ATOM 0 HH21 ARG A 40 8.073 14.370 -9.038 1.00 73.41 H new ATOM 0 HH22 ARG A 40 9.489 14.379 -10.093 1.00 73.41 H new ATOM 624 N MET A 41 0.186 15.123 -12.494 1.00 42.34 N ATOM 625 CA MET A 41 -0.715 16.259 -12.650 1.00 72.42 C ATOM 626 C MET A 41 -2.033 16.013 -11.922 1.00 22.14 C ATOM 627 O MET A 41 -2.678 16.950 -11.454 1.00 12.22 O ATOM 628 CB MET A 41 -0.980 16.527 -14.133 1.00 33.30 C ATOM 629 CG MET A 41 -1.926 17.691 -14.381 1.00 54.43 C ATOM 630 SD MET A 41 -1.245 19.269 -13.835 1.00 51.31 S ATOM 631 CE MET A 41 -2.741 20.147 -13.389 1.00 11.20 C ATOM 0 H MET A 41 0.359 14.600 -13.353 1.00 42.34 H new ATOM 0 HA MET A 41 -0.236 17.134 -12.210 1.00 72.42 H new ATOM 0 HB2 MET A 41 -0.032 16.727 -14.633 1.00 33.30 H new ATOM 0 HB3 MET A 41 -1.396 15.628 -14.587 1.00 33.30 H new ATOM 0 HG2 MET A 41 -2.155 17.747 -15.445 1.00 54.43 H new ATOM 0 HG3 MET A 41 -2.867 17.507 -13.862 1.00 54.43 H new ATOM 0 HE1 MET A 41 -2.677 21.177 -13.741 1.00 11.20 H new ATOM 0 HE2 MET A 41 -3.600 19.659 -13.849 1.00 11.20 H new ATOM 0 HE3 MET A 41 -2.857 20.141 -12.305 1.00 11.20 H new ATOM 641 N ALA A 42 -2.426 14.747 -11.832 1.00 4.44 N ATOM 642 CA ALA A 42 -3.666 14.378 -11.160 1.00 43.42 C ATOM 643 C ALA A 42 -3.511 14.451 -9.645 1.00 74.32 C ATOM 644 O ALA A 42 -4.435 14.851 -8.937 1.00 61.12 O ATOM 645 CB ALA A 42 -4.099 12.982 -11.582 1.00 50.12 C ATOM 0 H ALA A 42 -1.904 13.959 -12.216 1.00 4.44 H new ATOM 0 HA ALA A 42 -4.437 15.090 -11.455 1.00 43.42 H new ATOM 0 HB1 ALA A 42 -5.026 12.719 -11.073 1.00 50.12 H new ATOM 0 HB2 ALA A 42 -4.259 12.961 -12.660 1.00 50.12 H new ATOM 0 HB3 ALA A 42 -3.323 12.264 -11.316 1.00 50.12 H new ATOM 651 N ASN A 43 -2.339 14.063 -9.154 1.00 11.11 N ATOM 652 CA ASN A 43 -2.065 14.084 -7.722 1.00 43.20 C ATOM 653 C ASN A 43 -1.901 15.514 -7.220 1.00 32.54 C ATOM 654 O ASN A 43 -2.501 15.906 -6.219 1.00 5.14 O ATOM 655 CB ASN A 43 -0.804 13.274 -7.411 1.00 30.30 C ATOM 656 CG ASN A 43 -0.908 11.837 -7.884 1.00 35.22 C ATOM 657 OD1 ASN A 43 0.224 11.145 -7.925 1.00 14.13 O flip ATOM 658 ND2 ASN A 43 -1.994 11.356 -8.208 1.00 43.50 N flip ATOM 0 H ASN A 43 -1.563 13.730 -9.727 1.00 11.11 H new ATOM 0 HA ASN A 43 -2.914 13.633 -7.208 1.00 43.20 H new ATOM 0 HB2 ASN A 43 0.055 13.748 -7.885 1.00 30.30 H new ATOM 0 HB3 ASN A 43 -0.623 13.288 -6.336 1.00 30.30 H new ATOM 0 HD21 ASN A 43 -2.839 11.926 -8.160 1.00 43.50 H new ATOM 0 HD22 ASN A 43 -2.049 10.388 -8.524 1.00 43.50 H new ATOM 665 N VAL A 44 -1.084 16.293 -7.924 1.00 42.53 N ATOM 666 CA VAL A 44 -0.841 17.682 -7.552 1.00 51.24 C ATOM 667 C VAL A 44 -2.112 18.514 -7.680 1.00 61.15 C ATOM 668 O VAL A 44 -2.364 19.408 -6.871 1.00 42.35 O ATOM 669 CB VAL A 44 0.262 18.312 -8.423 1.00 30.02 C ATOM 670 CG1 VAL A 44 -0.126 18.263 -9.893 1.00 25.40 C ATOM 671 CG2 VAL A 44 0.536 19.742 -7.982 1.00 0.43 C ATOM 0 H VAL A 44 -0.579 15.985 -8.755 1.00 42.53 H new ATOM 0 HA VAL A 44 -0.514 17.679 -6.512 1.00 51.24 H new ATOM 0 HB VAL A 44 1.178 17.735 -8.295 1.00 30.02 H new ATOM 0 HG11 VAL A 44 0.665 18.712 -10.493 1.00 25.40 H new ATOM 0 HG12 VAL A 44 -0.268 17.226 -10.197 1.00 25.40 H new ATOM 0 HG13 VAL A 44 -1.054 18.815 -10.043 1.00 25.40 H new ATOM 0 HG21 VAL A 44 1.318 20.172 -8.608 1.00 0.43 H new ATOM 0 HG22 VAL A 44 -0.374 20.334 -8.080 1.00 0.43 H new ATOM 0 HG23 VAL A 44 0.861 19.746 -6.942 1.00 0.43 H new ATOM 681 N SER A 45 -2.909 18.215 -8.699 1.00 32.04 N ATOM 682 CA SER A 45 -4.154 18.938 -8.936 1.00 64.52 C ATOM 683 C SER A 45 -5.107 18.779 -7.755 1.00 3.23 C ATOM 684 O SER A 45 -6.038 19.565 -7.582 1.00 71.41 O ATOM 685 CB SER A 45 -4.823 18.440 -10.217 1.00 22.12 C ATOM 686 OG SER A 45 -5.067 17.046 -10.157 1.00 25.11 O ATOM 0 H SER A 45 -2.716 17.476 -9.375 1.00 32.04 H new ATOM 0 HA SER A 45 -3.915 19.996 -9.048 1.00 64.52 H new ATOM 0 HB2 SER A 45 -5.763 18.970 -10.370 1.00 22.12 H new ATOM 0 HB3 SER A 45 -4.187 18.664 -11.074 1.00 22.12 H new ATOM 0 HG SER A 45 -4.669 16.679 -9.340 1.00 25.11 H new ATOM 692 N THR A 46 -4.867 17.753 -6.944 1.00 41.24 N ATOM 693 CA THR A 46 -5.704 17.487 -5.781 1.00 52.23 C ATOM 694 C THR A 46 -4.978 17.844 -4.488 1.00 74.13 C ATOM 695 O THR A 46 -5.454 17.543 -3.394 1.00 11.33 O ATOM 696 CB THR A 46 -6.134 16.009 -5.723 1.00 42.14 C ATOM 697 OG1 THR A 46 -4.993 15.161 -5.894 1.00 41.31 O ATOM 698 CG2 THR A 46 -7.164 15.703 -6.799 1.00 52.42 C ATOM 0 H THR A 46 -4.100 17.093 -7.072 1.00 41.24 H new ATOM 0 HA THR A 46 -6.591 18.112 -5.882 1.00 52.23 H new ATOM 0 HB THR A 46 -6.584 15.822 -4.748 1.00 42.14 H new ATOM 0 HG1 THR A 46 -4.178 15.661 -5.678 1.00 41.31 H new ATOM 0 HG21 THR A 46 -7.453 14.654 -6.739 1.00 52.42 H new ATOM 0 HG22 THR A 46 -8.043 16.330 -6.650 1.00 52.42 H new ATOM 0 HG23 THR A 46 -6.736 15.906 -7.781 1.00 52.42 H new ATOM 706 N GLY A 47 -3.823 18.488 -4.623 1.00 72.33 N ATOM 707 CA GLY A 47 -3.050 18.876 -3.456 1.00 12.21 C ATOM 708 C GLY A 47 -2.811 17.718 -2.508 1.00 12.11 C ATOM 709 O GLY A 47 -2.809 17.895 -1.289 1.00 33.04 O ATOM 0 H GLY A 47 -3.409 18.748 -5.518 1.00 72.33 H new ATOM 0 HA2 GLY A 47 -2.091 19.282 -3.778 1.00 12.21 H new ATOM 0 HA3 GLY A 47 -3.572 19.673 -2.927 1.00 12.21 H new ATOM 713 N ARG A 48 -2.611 16.529 -3.066 1.00 13.30 N ATOM 714 CA ARG A 48 -2.374 15.337 -2.262 1.00 25.43 C ATOM 715 C ARG A 48 -0.882 15.137 -2.014 1.00 24.33 C ATOM 716 O ARG A 48 -0.129 14.812 -2.932 1.00 34.32 O ATOM 717 CB ARG A 48 -2.957 14.104 -2.954 1.00 42.21 C ATOM 718 CG ARG A 48 -3.882 13.288 -2.066 1.00 4.22 C ATOM 719 CD ARG A 48 -5.121 12.832 -2.822 1.00 63.32 C ATOM 720 NE ARG A 48 -6.131 12.269 -1.929 1.00 5.35 N ATOM 721 CZ ARG A 48 -6.025 11.072 -1.361 1.00 30.51 C ATOM 722 NH1 ARG A 48 -4.959 10.318 -1.592 1.00 11.43 N ATOM 723 NH2 ARG A 48 -6.986 10.630 -0.560 1.00 0.24 N ATOM 0 H ARG A 48 -2.608 16.366 -4.073 1.00 13.30 H new ATOM 0 HA ARG A 48 -2.870 15.473 -1.301 1.00 25.43 H new ATOM 0 HB2 ARG A 48 -3.505 14.421 -3.841 1.00 42.21 H new ATOM 0 HB3 ARG A 48 -2.140 13.468 -3.294 1.00 42.21 H new ATOM 0 HG2 ARG A 48 -3.347 12.419 -1.683 1.00 4.22 H new ATOM 0 HG3 ARG A 48 -4.180 13.884 -1.203 1.00 4.22 H new ATOM 0 HD2 ARG A 48 -5.546 13.677 -3.364 1.00 63.32 H new ATOM 0 HD3 ARG A 48 -4.838 12.087 -3.565 1.00 63.32 H new ATOM 0 HE ARG A 48 -6.963 12.825 -1.731 1.00 5.35 H new ATOM 0 HH11 ARG A 48 -4.218 10.656 -2.206 1.00 11.43 H new ATOM 0 HH12 ARG A 48 -4.879 9.400 -1.155 1.00 11.43 H new ATOM 0 HH21 ARG A 48 -7.806 11.209 -0.380 1.00 0.24 H new ATOM 0 HH22 ARG A 48 -6.904 9.711 -0.124 1.00 0.24 H new ATOM 737 N GLU A 49 -0.462 15.333 -0.768 1.00 5.31 N ATOM 738 CA GLU A 49 0.941 15.175 -0.402 1.00 72.35 C ATOM 739 C GLU A 49 1.477 13.826 -0.871 1.00 45.12 C ATOM 740 O GLU A 49 2.415 13.744 -1.665 1.00 51.23 O ATOM 741 CB GLU A 49 1.113 15.306 1.113 1.00 72.24 C ATOM 742 CG GLU A 49 1.935 16.514 1.530 1.00 35.11 C ATOM 743 CD GLU A 49 1.272 17.827 1.158 1.00 33.24 C ATOM 744 OE1 GLU A 49 0.800 18.533 2.073 1.00 45.32 O ATOM 745 OE2 GLU A 49 1.226 18.148 -0.049 1.00 43.02 O ATOM 0 H GLU A 49 -1.072 15.601 0.004 1.00 5.31 H new ATOM 0 HA GLU A 49 1.510 15.963 -0.895 1.00 72.35 H new ATOM 0 HB2 GLU A 49 0.129 15.369 1.578 1.00 72.24 H new ATOM 0 HB3 GLU A 49 1.589 14.403 1.496 1.00 72.24 H new ATOM 0 HG2 GLU A 49 2.096 16.485 2.608 1.00 35.11 H new ATOM 0 HG3 GLU A 49 2.917 16.461 1.060 1.00 35.11 H new ATOM 752 N PRO A 50 0.869 12.741 -0.367 1.00 22.31 N ATOM 753 CA PRO A 50 1.268 11.375 -0.719 1.00 3.42 C ATOM 754 C PRO A 50 0.919 11.022 -2.161 1.00 33.04 C ATOM 755 O PRO A 50 1.310 9.971 -2.667 1.00 64.22 O ATOM 756 CB PRO A 50 0.464 10.508 0.253 1.00 22.41 C ATOM 757 CG PRO A 50 -0.723 11.336 0.603 1.00 60.04 C ATOM 758 CD PRO A 50 -0.254 12.764 0.584 1.00 72.10 C ATOM 0 HA PRO A 50 2.346 11.234 -0.645 1.00 3.42 H new ATOM 0 HB2 PRO A 50 0.168 9.566 -0.208 1.00 22.41 H new ATOM 0 HB3 PRO A 50 1.049 10.259 1.139 1.00 22.41 H new ATOM 0 HG2 PRO A 50 -1.531 11.181 -0.112 1.00 60.04 H new ATOM 0 HG3 PRO A 50 -1.111 11.066 1.585 1.00 60.04 H new ATOM 0 HD2 PRO A 50 -1.043 13.442 0.258 1.00 72.10 H new ATOM 0 HD3 PRO A 50 0.063 13.096 1.573 1.00 72.10 H new ATOM 766 N GLY A 51 0.179 11.910 -2.821 1.00 61.14 N ATOM 767 CA GLY A 51 -0.210 11.674 -4.198 1.00 15.52 C ATOM 768 C GLY A 51 0.981 11.595 -5.132 1.00 62.14 C ATOM 769 O GLY A 51 1.441 12.612 -5.649 1.00 0.24 O ATOM 0 H GLY A 51 -0.157 12.788 -2.425 1.00 61.14 H new ATOM 0 HA2 GLY A 51 -0.777 10.745 -4.258 1.00 15.52 H new ATOM 0 HA3 GLY A 51 -0.873 12.474 -4.527 1.00 15.52 H new ATOM 773 N ASP A 52 1.482 10.383 -5.347 1.00 65.32 N ATOM 774 CA ASP A 52 2.628 10.175 -6.224 1.00 30.31 C ATOM 775 C ASP A 52 2.407 8.967 -7.129 1.00 0.41 C ATOM 776 O ASP A 52 2.126 9.113 -8.318 1.00 33.24 O ATOM 777 CB ASP A 52 3.902 9.983 -5.399 1.00 63.34 C ATOM 778 CG ASP A 52 4.477 11.297 -4.908 1.00 35.04 C ATOM 779 OD1 ASP A 52 4.790 11.396 -3.703 1.00 2.14 O ATOM 780 OD2 ASP A 52 4.615 12.228 -5.730 1.00 1.23 O ATOM 0 H ASP A 52 1.113 9.531 -4.926 1.00 65.32 H new ATOM 0 HA ASP A 52 2.740 11.060 -6.850 1.00 30.31 H new ATOM 0 HB2 ASP A 52 3.685 9.343 -4.544 1.00 63.34 H new ATOM 0 HB3 ASP A 52 4.648 9.466 -6.003 1.00 63.34 H new ATOM 785 N ILE A 53 2.538 7.774 -6.558 1.00 72.33 N ATOM 786 CA ILE A 53 2.352 6.541 -7.313 1.00 34.43 C ATOM 787 C ILE A 53 1.542 5.525 -6.516 1.00 64.23 C ATOM 788 O ILE A 53 2.077 4.564 -5.962 1.00 24.11 O ATOM 789 CB ILE A 53 3.702 5.912 -7.704 1.00 25.12 C ATOM 790 CG1 ILE A 53 4.529 6.898 -8.533 1.00 35.10 C ATOM 791 CG2 ILE A 53 3.481 4.619 -8.475 1.00 63.31 C ATOM 792 CD1 ILE A 53 3.926 7.201 -9.888 1.00 62.40 C ATOM 0 H ILE A 53 2.772 7.635 -5.575 1.00 72.33 H new ATOM 0 HA ILE A 53 1.807 6.805 -8.219 1.00 34.43 H new ATOM 0 HB ILE A 53 4.254 5.680 -6.793 1.00 25.12 H new ATOM 0 HG12 ILE A 53 4.637 7.828 -7.976 1.00 35.10 H new ATOM 0 HG13 ILE A 53 5.531 6.492 -8.672 1.00 35.10 H new ATOM 0 HG21 ILE A 53 4.445 4.187 -8.744 1.00 63.31 H new ATOM 0 HG22 ILE A 53 2.928 3.915 -7.853 1.00 63.31 H new ATOM 0 HG23 ILE A 53 2.912 4.828 -9.381 1.00 63.31 H new ATOM 0 HD11 ILE A 53 4.564 7.906 -10.421 1.00 62.40 H new ATOM 0 HD12 ILE A 53 3.844 6.279 -10.464 1.00 62.40 H new ATOM 0 HD13 ILE A 53 2.935 7.636 -9.756 1.00 62.40 H new ATOM 804 N PRO A 54 0.220 5.738 -6.454 1.00 35.33 N ATOM 805 CA PRO A 54 -0.693 4.851 -5.730 1.00 51.34 C ATOM 806 C PRO A 54 -0.845 3.494 -6.410 1.00 42.13 C ATOM 807 O PRO A 54 -0.532 3.343 -7.590 1.00 35.41 O ATOM 808 CB PRO A 54 -2.022 5.612 -5.752 1.00 25.03 C ATOM 809 CG PRO A 54 -1.935 6.487 -6.955 1.00 53.21 C ATOM 810 CD PRO A 54 -0.487 6.864 -7.090 1.00 61.11 C ATOM 0 HA PRO A 54 -0.331 4.627 -4.726 1.00 51.34 H new ATOM 0 HB2 PRO A 54 -2.869 4.929 -5.819 1.00 25.03 H new ATOM 0 HB3 PRO A 54 -2.158 6.199 -4.844 1.00 25.03 H new ATOM 0 HG2 PRO A 54 -2.286 5.964 -7.844 1.00 53.21 H new ATOM 0 HG3 PRO A 54 -2.559 7.373 -6.839 1.00 53.21 H new ATOM 0 HD2 PRO A 54 -0.198 6.981 -8.134 1.00 61.11 H new ATOM 0 HD3 PRO A 54 -0.269 7.808 -6.591 1.00 61.11 H new ATOM 818 N GLU A 55 -1.326 2.510 -5.657 1.00 61.44 N ATOM 819 CA GLU A 55 -1.518 1.166 -6.188 1.00 34.02 C ATOM 820 C GLU A 55 -2.633 0.439 -5.441 1.00 12.03 C ATOM 821 O GLU A 55 -2.505 -0.737 -5.101 1.00 3.13 O ATOM 822 CB GLU A 55 -0.218 0.365 -6.092 1.00 25.31 C ATOM 823 CG GLU A 55 0.235 0.108 -4.664 1.00 74.05 C ATOM 824 CD GLU A 55 1.636 0.620 -4.396 1.00 22.32 C ATOM 825 OE1 GLU A 55 2.574 -0.206 -4.368 1.00 13.30 O ATOM 826 OE2 GLU A 55 1.797 1.845 -4.212 1.00 4.35 O ATOM 0 H GLU A 55 -1.590 2.618 -4.678 1.00 61.44 H new ATOM 0 HA GLU A 55 -1.805 1.255 -7.236 1.00 34.02 H new ATOM 0 HB2 GLU A 55 -0.352 -0.590 -6.599 1.00 25.31 H new ATOM 0 HB3 GLU A 55 0.569 0.901 -6.623 1.00 25.31 H new ATOM 0 HG2 GLU A 55 -0.461 0.586 -3.974 1.00 74.05 H new ATOM 0 HG3 GLU A 55 0.199 -0.963 -4.462 1.00 74.05 H new ATOM 833 N THR A 56 -3.728 1.149 -5.188 1.00 72.10 N ATOM 834 CA THR A 56 -4.864 0.574 -4.480 1.00 11.11 C ATOM 835 C THR A 56 -6.181 1.134 -5.007 1.00 5.51 C ATOM 836 O THR A 56 -6.287 2.325 -5.301 1.00 31.51 O ATOM 837 CB THR A 56 -4.776 0.841 -2.965 1.00 1.32 C ATOM 838 OG1 THR A 56 -5.090 2.210 -2.690 1.00 20.21 O ATOM 839 CG2 THR A 56 -3.386 0.517 -2.439 1.00 74.45 C ATOM 0 H THR A 56 -3.852 2.123 -5.463 1.00 72.10 H new ATOM 0 HA THR A 56 -4.833 -0.502 -4.654 1.00 11.11 H new ATOM 0 HB THR A 56 -5.496 0.196 -2.462 1.00 1.32 H new ATOM 0 HG1 THR A 56 -5.540 2.274 -1.822 1.00 20.21 H new ATOM 0 HG21 THR A 56 -3.348 0.713 -1.367 1.00 74.45 H new ATOM 0 HG22 THR A 56 -3.163 -0.534 -2.624 1.00 74.45 H new ATOM 0 HG23 THR A 56 -2.650 1.139 -2.948 1.00 74.45 H new ATOM 847 N LEU A 57 -7.181 0.267 -5.124 1.00 74.50 N ATOM 848 CA LEU A 57 -8.493 0.676 -5.616 1.00 63.33 C ATOM 849 C LEU A 57 -9.030 1.859 -4.816 1.00 32.42 C ATOM 850 O LEU A 57 -9.804 2.668 -5.329 1.00 3.43 O ATOM 851 CB LEU A 57 -9.475 -0.493 -5.539 1.00 52.55 C ATOM 852 CG LEU A 57 -10.312 -0.752 -6.792 1.00 33.23 C ATOM 853 CD1 LEU A 57 -11.138 0.477 -7.144 1.00 10.52 C ATOM 854 CD2 LEU A 57 -9.418 -1.147 -7.958 1.00 32.33 C ATOM 0 H LEU A 57 -7.109 -0.722 -4.885 1.00 74.50 H new ATOM 0 HA LEU A 57 -8.384 0.983 -6.656 1.00 63.33 H new ATOM 0 HB2 LEU A 57 -8.913 -1.398 -5.308 1.00 52.55 H new ATOM 0 HB3 LEU A 57 -10.153 -0.317 -4.704 1.00 52.55 H new ATOM 0 HG LEU A 57 -10.994 -1.577 -6.587 1.00 33.23 H new ATOM 0 HD11 LEU A 57 -11.728 0.275 -8.038 1.00 10.52 H new ATOM 0 HD12 LEU A 57 -11.805 0.716 -6.316 1.00 10.52 H new ATOM 0 HD13 LEU A 57 -10.474 1.321 -7.330 1.00 10.52 H new ATOM 0 HD21 LEU A 57 -10.031 -1.328 -8.841 1.00 32.33 H new ATOM 0 HD22 LEU A 57 -8.712 -0.342 -8.164 1.00 32.33 H new ATOM 0 HD23 LEU A 57 -8.870 -2.055 -7.705 1.00 32.33 H new ATOM 866 N ASP A 58 -8.612 1.955 -3.559 1.00 54.45 N ATOM 867 CA ASP A 58 -9.049 3.041 -2.689 1.00 20.14 C ATOM 868 C ASP A 58 -8.332 4.341 -3.042 1.00 54.55 C ATOM 869 O ASP A 58 -8.969 5.370 -3.264 1.00 32.13 O ATOM 870 CB ASP A 58 -8.793 2.684 -1.224 1.00 62.41 C ATOM 871 CG ASP A 58 -10.056 2.259 -0.502 1.00 4.53 C ATOM 872 OD1 ASP A 58 -10.690 1.277 -0.944 1.00 52.21 O ATOM 873 OD2 ASP A 58 -10.410 2.906 0.504 1.00 74.32 O ATOM 0 H ASP A 58 -7.971 1.294 -3.119 1.00 54.45 H new ATOM 0 HA ASP A 58 -10.119 3.185 -2.838 1.00 20.14 H new ATOM 0 HB2 ASP A 58 -8.060 1.879 -1.172 1.00 62.41 H new ATOM 0 HB3 ASP A 58 -8.359 3.544 -0.714 1.00 62.41 H new ATOM 878 N GLN A 59 -7.005 4.285 -3.090 1.00 10.14 N ATOM 879 CA GLN A 59 -6.203 5.459 -3.414 1.00 51.30 C ATOM 880 C GLN A 59 -6.568 6.005 -4.790 1.00 53.44 C ATOM 881 O GLN A 59 -6.760 7.210 -4.960 1.00 11.40 O ATOM 882 CB GLN A 59 -4.714 5.113 -3.369 1.00 44.14 C ATOM 883 CG GLN A 59 -4.139 5.079 -1.962 1.00 63.24 C ATOM 884 CD GLN A 59 -3.121 3.972 -1.773 1.00 2.41 C ATOM 885 OE1 GLN A 59 -2.219 3.827 -2.737 1.00 45.55 O flip ATOM 886 NE2 GLN A 59 -3.145 3.255 -0.773 1.00 64.10 N flip ATOM 0 H GLN A 59 -6.463 3.440 -2.909 1.00 10.14 H new ATOM 0 HA GLN A 59 -6.413 6.228 -2.671 1.00 51.30 H new ATOM 0 HB2 GLN A 59 -4.561 4.141 -3.839 1.00 44.14 H new ATOM 0 HB3 GLN A 59 -4.162 5.843 -3.961 1.00 44.14 H new ATOM 0 HG2 GLN A 59 -3.671 6.039 -1.742 1.00 63.24 H new ATOM 0 HG3 GLN A 59 -4.950 4.948 -1.246 1.00 63.24 H new ATOM 0 HE21 GLN A 59 -3.856 3.402 -0.057 1.00 64.10 H new ATOM 0 HE22 GLN A 59 -2.454 2.514 -0.660 1.00 64.10 H new ATOM 895 N LEU A 60 -6.664 5.112 -5.769 1.00 14.04 N ATOM 896 CA LEU A 60 -7.006 5.506 -7.132 1.00 53.22 C ATOM 897 C LEU A 60 -8.409 6.103 -7.189 1.00 34.02 C ATOM 898 O LEU A 60 -8.598 7.223 -7.665 1.00 3.34 O ATOM 899 CB LEU A 60 -6.914 4.301 -8.069 1.00 51.32 C ATOM 900 CG LEU A 60 -5.527 3.995 -8.635 1.00 40.55 C ATOM 901 CD1 LEU A 60 -5.088 5.091 -9.593 1.00 52.33 C ATOM 902 CD2 LEU A 60 -4.517 3.831 -7.510 1.00 65.23 C ATOM 0 H LEU A 60 -6.510 4.111 -5.645 1.00 14.04 H new ATOM 0 HA LEU A 60 -6.294 6.265 -7.455 1.00 53.22 H new ATOM 0 HB2 LEU A 60 -7.268 3.421 -7.532 1.00 51.32 H new ATOM 0 HB3 LEU A 60 -7.597 4.462 -8.903 1.00 51.32 H new ATOM 0 HG LEU A 60 -5.580 3.057 -9.188 1.00 40.55 H new ATOM 0 HD11 LEU A 60 -4.099 4.856 -9.986 1.00 52.33 H new ATOM 0 HD12 LEU A 60 -5.798 5.160 -10.417 1.00 52.33 H new ATOM 0 HD13 LEU A 60 -5.052 6.043 -9.064 1.00 52.33 H new ATOM 0 HD21 LEU A 60 -3.535 3.614 -7.931 1.00 65.23 H new ATOM 0 HD22 LEU A 60 -4.467 4.752 -6.929 1.00 65.23 H new ATOM 0 HD23 LEU A 60 -4.824 3.010 -6.862 1.00 65.23 H new ATOM 914 N ARG A 61 -9.389 5.351 -6.701 1.00 5.31 N ATOM 915 CA ARG A 61 -10.773 5.806 -6.696 1.00 71.41 C ATOM 916 C ARG A 61 -10.889 7.187 -6.057 1.00 50.30 C ATOM 917 O ARG A 61 -11.773 7.971 -6.403 1.00 14.32 O ATOM 918 CB ARG A 61 -11.659 4.809 -5.945 1.00 21.53 C ATOM 919 CG ARG A 61 -13.108 5.251 -5.827 1.00 65.24 C ATOM 920 CD ARG A 61 -13.468 5.601 -4.391 1.00 33.31 C ATOM 921 NE ARG A 61 -14.683 6.407 -4.313 1.00 53.34 N ATOM 922 CZ ARG A 61 -15.267 6.746 -3.168 1.00 34.13 C ATOM 923 NH1 ARG A 61 -14.748 6.354 -2.013 1.00 12.42 N ATOM 924 NH2 ARG A 61 -16.372 7.481 -3.179 1.00 32.43 N ATOM 0 H ARG A 61 -9.250 4.422 -6.303 1.00 5.31 H new ATOM 0 HA ARG A 61 -11.110 5.873 -7.730 1.00 71.41 H new ATOM 0 HB2 ARG A 61 -11.622 3.847 -6.455 1.00 21.53 H new ATOM 0 HB3 ARG A 61 -11.252 4.655 -4.945 1.00 21.53 H new ATOM 0 HG2 ARG A 61 -13.279 6.116 -6.467 1.00 65.24 H new ATOM 0 HG3 ARG A 61 -13.762 4.456 -6.184 1.00 65.24 H new ATOM 0 HD2 ARG A 61 -13.604 4.684 -3.817 1.00 33.31 H new ATOM 0 HD3 ARG A 61 -12.642 6.145 -3.932 1.00 33.31 H new ATOM 0 HE ARG A 61 -15.106 6.727 -5.184 1.00 53.34 H new ATOM 0 HH11 ARG A 61 -13.898 5.790 -2.001 1.00 12.42 H new ATOM 0 HH12 ARG A 61 -15.199 6.616 -1.136 1.00 12.42 H new ATOM 0 HH21 ARG A 61 -16.773 7.786 -4.066 1.00 32.43 H new ATOM 0 HH22 ARG A 61 -16.820 7.741 -2.300 1.00 32.43 H new ATOM 938 N LEU A 62 -9.990 7.479 -5.123 1.00 5.42 N ATOM 939 CA LEU A 62 -9.991 8.765 -4.435 1.00 42.42 C ATOM 940 C LEU A 62 -9.486 9.873 -5.353 1.00 23.34 C ATOM 941 O LEU A 62 -10.227 10.792 -5.701 1.00 3.04 O ATOM 942 CB LEU A 62 -9.123 8.692 -3.177 1.00 34.51 C ATOM 943 CG LEU A 62 -9.804 9.095 -1.868 1.00 33.04 C ATOM 944 CD1 LEU A 62 -10.279 10.538 -1.935 1.00 34.02 C ATOM 945 CD2 LEU A 62 -10.968 8.163 -1.564 1.00 3.12 C ATOM 0 H LEU A 62 -9.251 6.842 -4.825 1.00 5.42 H new ATOM 0 HA LEU A 62 -11.017 8.996 -4.148 1.00 42.42 H new ATOM 0 HB2 LEU A 62 -8.755 7.671 -3.073 1.00 34.51 H new ATOM 0 HB3 LEU A 62 -8.253 9.332 -3.323 1.00 34.51 H new ATOM 0 HG LEU A 62 -9.076 9.011 -1.061 1.00 33.04 H new ATOM 0 HD11 LEU A 62 -10.761 10.806 -0.995 1.00 34.02 H new ATOM 0 HD12 LEU A 62 -9.426 11.194 -2.106 1.00 34.02 H new ATOM 0 HD13 LEU A 62 -10.991 10.649 -2.752 1.00 34.02 H new ATOM 0 HD21 LEU A 62 -11.441 8.464 -0.629 1.00 3.12 H new ATOM 0 HD22 LEU A 62 -11.697 8.215 -2.373 1.00 3.12 H new ATOM 0 HD23 LEU A 62 -10.601 7.141 -1.472 1.00 3.12 H new ATOM 957 N VAL A 63 -8.218 9.780 -5.743 1.00 50.32 N ATOM 958 CA VAL A 63 -7.613 10.773 -6.622 1.00 10.44 C ATOM 959 C VAL A 63 -8.462 10.990 -7.871 1.00 70.52 C ATOM 960 O VAL A 63 -8.596 12.115 -8.353 1.00 22.24 O ATOM 961 CB VAL A 63 -6.193 10.356 -7.048 1.00 45.23 C ATOM 962 CG1 VAL A 63 -6.209 8.971 -7.677 1.00 3.22 C ATOM 963 CG2 VAL A 63 -5.601 11.379 -8.005 1.00 12.32 C ATOM 0 H VAL A 63 -7.590 9.026 -5.463 1.00 50.32 H new ATOM 0 HA VAL A 63 -7.556 11.703 -6.057 1.00 10.44 H new ATOM 0 HB VAL A 63 -5.563 10.318 -6.159 1.00 45.23 H new ATOM 0 HG11 VAL A 63 -5.197 8.693 -7.972 1.00 3.22 H new ATOM 0 HG12 VAL A 63 -6.588 8.248 -6.955 1.00 3.22 H new ATOM 0 HG13 VAL A 63 -6.854 8.978 -8.556 1.00 3.22 H new ATOM 0 HG21 VAL A 63 -4.598 11.068 -8.295 1.00 12.32 H new ATOM 0 HG22 VAL A 63 -6.229 11.453 -8.893 1.00 12.32 H new ATOM 0 HG23 VAL A 63 -5.552 12.351 -7.514 1.00 12.32 H new ATOM 973 N ILE A 64 -9.034 9.908 -8.387 1.00 63.25 N ATOM 974 CA ILE A 64 -9.871 9.981 -9.577 1.00 54.35 C ATOM 975 C ILE A 64 -11.158 10.750 -9.298 1.00 1.13 C ATOM 976 O ILE A 64 -11.589 11.573 -10.106 1.00 14.21 O ATOM 977 CB ILE A 64 -10.228 8.577 -10.101 1.00 71.03 C ATOM 978 CG1 ILE A 64 -8.959 7.809 -10.473 1.00 21.03 C ATOM 979 CG2 ILE A 64 -11.161 8.681 -11.299 1.00 41.22 C ATOM 980 CD1 ILE A 64 -9.111 6.308 -10.377 1.00 2.45 C ATOM 0 H ILE A 64 -8.933 8.970 -7.999 1.00 63.25 H new ATOM 0 HA ILE A 64 -9.294 10.508 -10.337 1.00 54.35 H new ATOM 0 HB ILE A 64 -10.742 8.030 -9.310 1.00 71.03 H new ATOM 0 HG12 ILE A 64 -8.670 8.072 -11.490 1.00 21.03 H new ATOM 0 HG13 ILE A 64 -8.147 8.126 -9.819 1.00 21.03 H new ATOM 0 HG21 ILE A 64 -11.405 7.681 -11.658 1.00 41.22 H new ATOM 0 HG22 ILE A 64 -12.077 9.193 -11.004 1.00 41.22 H new ATOM 0 HG23 ILE A 64 -10.671 9.243 -12.094 1.00 41.22 H new ATOM 0 HD11 ILE A 64 -8.172 5.829 -10.655 1.00 2.45 H new ATOM 0 HD12 ILE A 64 -9.370 6.033 -9.354 1.00 2.45 H new ATOM 0 HD13 ILE A 64 -9.901 5.978 -11.052 1.00 2.45 H new ATOM 992 N CYS A 65 -11.766 10.477 -8.149 1.00 70.42 N ATOM 993 CA CYS A 65 -13.004 11.144 -7.761 1.00 33.54 C ATOM 994 C CYS A 65 -12.804 12.654 -7.677 1.00 74.44 C ATOM 995 O CYS A 65 -13.564 13.425 -8.264 1.00 41.14 O ATOM 996 CB CYS A 65 -13.498 10.607 -6.417 1.00 21.22 C ATOM 997 SG CYS A 65 -14.938 11.480 -5.758 1.00 44.45 S ATOM 0 H CYS A 65 -11.422 9.798 -7.470 1.00 70.42 H new ATOM 0 HA CYS A 65 -13.754 10.937 -8.524 1.00 33.54 H new ATOM 0 HB2 CYS A 65 -13.746 9.551 -6.529 1.00 21.22 H new ATOM 0 HB3 CYS A 65 -12.686 10.669 -5.692 1.00 21.22 H new ATOM 0 HG CYS A 65 -15.282 10.953 -4.621 1.00 44.45 H new ATOM 1003 N ASP A 66 -11.778 13.070 -6.941 1.00 12.34 N ATOM 1004 CA ASP A 66 -11.480 14.488 -6.779 1.00 65.51 C ATOM 1005 C ASP A 66 -11.047 15.107 -8.104 1.00 24.03 C ATOM 1006 O ASP A 66 -11.212 16.307 -8.324 1.00 33.53 O ATOM 1007 CB ASP A 66 -10.384 14.682 -5.729 1.00 21.04 C ATOM 1008 CG ASP A 66 -10.948 14.918 -4.341 1.00 31.22 C ATOM 1009 OD1 ASP A 66 -12.014 15.560 -4.235 1.00 62.21 O ATOM 1010 OD2 ASP A 66 -10.323 14.459 -3.363 1.00 61.35 O ATOM 0 H ASP A 66 -11.140 12.446 -6.448 1.00 12.34 H new ATOM 0 HA ASP A 66 -12.388 14.990 -6.444 1.00 65.51 H new ATOM 0 HB2 ASP A 66 -9.741 13.802 -5.712 1.00 21.04 H new ATOM 0 HB3 ASP A 66 -9.759 15.528 -6.013 1.00 21.04 H new ATOM 1015 N LEU A 67 -10.489 14.281 -8.983 1.00 53.02 N ATOM 1016 CA LEU A 67 -10.031 14.747 -10.287 1.00 13.24 C ATOM 1017 C LEU A 67 -11.206 15.206 -11.146 1.00 41.35 C ATOM 1018 O LEU A 67 -11.187 16.302 -11.705 1.00 2.10 O ATOM 1019 CB LEU A 67 -9.262 13.637 -11.007 1.00 74.22 C ATOM 1020 CG LEU A 67 -7.768 13.886 -11.219 1.00 54.25 C ATOM 1021 CD1 LEU A 67 -7.550 15.082 -12.132 1.00 52.32 C ATOM 1022 CD2 LEU A 67 -7.068 14.096 -9.885 1.00 4.03 C ATOM 0 H LEU A 67 -10.343 13.285 -8.816 1.00 53.02 H new ATOM 0 HA LEU A 67 -9.367 15.597 -10.128 1.00 13.24 H new ATOM 0 HB2 LEU A 67 -9.379 12.714 -10.440 1.00 74.22 H new ATOM 0 HB3 LEU A 67 -9.725 13.474 -11.980 1.00 74.22 H new ATOM 0 HG LEU A 67 -7.337 13.007 -11.698 1.00 54.25 H new ATOM 0 HD11 LEU A 67 -6.481 15.244 -12.271 1.00 52.32 H new ATOM 0 HD12 LEU A 67 -8.017 14.892 -13.098 1.00 52.32 H new ATOM 0 HD13 LEU A 67 -7.996 15.969 -11.682 1.00 52.32 H new ATOM 0 HD21 LEU A 67 -6.006 14.272 -10.055 1.00 4.03 H new ATOM 0 HD22 LEU A 67 -7.502 14.958 -9.378 1.00 4.03 H new ATOM 0 HD23 LEU A 67 -7.194 13.209 -9.264 1.00 4.03 H new ATOM 1034 N GLN A 68 -12.227 14.360 -11.243 1.00 20.13 N ATOM 1035 CA GLN A 68 -13.410 14.680 -12.031 1.00 1.30 C ATOM 1036 C GLN A 68 -14.141 15.887 -11.452 1.00 11.22 C ATOM 1037 O GLN A 68 -14.520 16.803 -12.181 1.00 10.50 O ATOM 1038 CB GLN A 68 -14.353 13.476 -12.086 1.00 53.01 C ATOM 1039 CG GLN A 68 -15.232 13.448 -13.325 1.00 15.33 C ATOM 1040 CD GLN A 68 -15.989 14.745 -13.535 1.00 43.43 C ATOM 1041 OE1 GLN A 68 -16.852 15.108 -12.734 1.00 33.31 O ATOM 1042 NE2 GLN A 68 -15.671 15.449 -14.614 1.00 63.23 N ATOM 0 H GLN A 68 -12.258 13.449 -10.786 1.00 20.13 H new ATOM 0 HA GLN A 68 -13.086 14.926 -13.042 1.00 1.30 H new ATOM 0 HB2 GLN A 68 -13.762 12.561 -12.049 1.00 53.01 H new ATOM 0 HB3 GLN A 68 -14.988 13.482 -11.200 1.00 53.01 H new ATOM 0 HG2 GLN A 68 -14.613 13.247 -14.200 1.00 15.33 H new ATOM 0 HG3 GLN A 68 -15.943 12.626 -13.242 1.00 15.33 H new ATOM 0 HE21 GLN A 68 -14.949 15.110 -15.250 1.00 63.23 H new ATOM 0 HE22 GLN A 68 -16.148 16.330 -14.807 1.00 63.23 H new ATOM 1051 N GLU A 69 -14.334 15.880 -10.137 1.00 52.21 N ATOM 1052 CA GLU A 69 -15.021 16.975 -9.461 1.00 11.22 C ATOM 1053 C GLU A 69 -14.247 18.281 -9.616 1.00 10.31 C ATOM 1054 O GLU A 69 -14.809 19.306 -10.001 1.00 55.11 O ATOM 1055 CB GLU A 69 -15.206 16.651 -7.977 1.00 25.52 C ATOM 1056 CG GLU A 69 -16.498 17.195 -7.392 1.00 52.12 C ATOM 1057 CD GLU A 69 -16.258 18.252 -6.331 1.00 42.25 C ATOM 1058 OE1 GLU A 69 -15.544 17.955 -5.350 1.00 43.35 O ATOM 1059 OE2 GLU A 69 -16.785 19.373 -6.479 1.00 33.11 O ATOM 0 H GLU A 69 -14.025 15.130 -9.519 1.00 52.21 H new ATOM 0 HA GLU A 69 -16.000 17.097 -9.924 1.00 11.22 H new ATOM 0 HB2 GLU A 69 -15.184 15.569 -7.844 1.00 25.52 H new ATOM 0 HB3 GLU A 69 -14.364 17.058 -7.417 1.00 25.52 H new ATOM 0 HG2 GLU A 69 -17.104 17.620 -8.192 1.00 52.12 H new ATOM 0 HG3 GLU A 69 -17.070 16.375 -6.959 1.00 52.12 H new ATOM 1066 N ARG A 70 -12.954 18.234 -9.314 1.00 70.44 N ATOM 1067 CA ARG A 70 -12.102 19.413 -9.416 1.00 32.01 C ATOM 1068 C ARG A 70 -11.996 19.882 -10.865 1.00 53.33 C ATOM 1069 O ARG A 70 -11.923 21.081 -11.135 1.00 23.23 O ATOM 1070 CB ARG A 70 -10.708 19.111 -8.864 1.00 13.14 C ATOM 1071 CG ARG A 70 -9.839 20.346 -8.697 1.00 62.42 C ATOM 1072 CD ARG A 70 -9.310 20.468 -7.276 1.00 44.23 C ATOM 1073 NE ARG A 70 -9.219 21.859 -6.842 1.00 50.31 N ATOM 1074 CZ ARG A 70 -8.225 22.671 -7.183 1.00 35.20 C ATOM 1075 NH1 ARG A 70 -7.244 22.234 -7.960 1.00 12.52 N ATOM 1076 NH2 ARG A 70 -8.212 23.925 -6.749 1.00 52.42 N ATOM 0 H ARG A 70 -12.473 17.392 -8.997 1.00 70.44 H new ATOM 0 HA ARG A 70 -12.554 20.210 -8.825 1.00 32.01 H new ATOM 0 HB2 ARG A 70 -10.808 18.614 -7.899 1.00 13.14 H new ATOM 0 HB3 ARG A 70 -10.206 18.411 -9.532 1.00 13.14 H new ATOM 0 HG2 ARG A 70 -9.003 20.301 -9.395 1.00 62.42 H new ATOM 0 HG3 ARG A 70 -10.417 21.235 -8.949 1.00 62.42 H new ATOM 0 HD2 ARG A 70 -9.963 19.919 -6.598 1.00 44.23 H new ATOM 0 HD3 ARG A 70 -8.325 20.004 -7.215 1.00 44.23 H new ATOM 0 HE ARG A 70 -9.959 22.227 -6.244 1.00 50.31 H new ATOM 0 HH11 ARG A 70 -7.251 21.272 -8.298 1.00 12.52 H new ATOM 0 HH12 ARG A 70 -6.482 22.860 -8.220 1.00 12.52 H new ATOM 0 HH21 ARG A 70 -8.966 24.266 -6.153 1.00 52.42 H new ATOM 0 HH22 ARG A 70 -7.448 24.548 -7.012 1.00 52.42 H new ATOM 1090 N ARG A 71 -11.991 18.930 -11.790 1.00 12.53 N ATOM 1091 CA ARG A 71 -11.893 19.245 -13.211 1.00 40.23 C ATOM 1092 C ARG A 71 -13.046 20.143 -13.649 1.00 54.15 C ATOM 1093 O ARG A 71 -12.834 21.175 -14.284 1.00 14.43 O ATOM 1094 CB ARG A 71 -11.889 17.960 -14.042 1.00 53.14 C ATOM 1095 CG ARG A 71 -12.018 18.202 -15.537 1.00 4.10 C ATOM 1096 CD ARG A 71 -13.333 17.665 -16.077 1.00 10.50 C ATOM 1097 NE ARG A 71 -13.505 17.963 -17.496 1.00 50.42 N ATOM 1098 CZ ARG A 71 -14.679 17.928 -18.118 1.00 24.14 C ATOM 1099 NH1 ARG A 71 -15.778 17.612 -17.448 1.00 14.53 N ATOM 1100 NH2 ARG A 71 -14.754 18.212 -19.412 1.00 21.41 N ATOM 0 H ARG A 71 -12.054 17.933 -11.582 1.00 12.53 H new ATOM 0 HA ARG A 71 -10.957 19.778 -13.375 1.00 40.23 H new ATOM 0 HB2 ARG A 71 -10.965 17.415 -13.849 1.00 53.14 H new ATOM 0 HB3 ARG A 71 -12.710 17.322 -13.713 1.00 53.14 H new ATOM 0 HG2 ARG A 71 -11.949 19.271 -15.741 1.00 4.10 H new ATOM 0 HG3 ARG A 71 -11.188 17.724 -16.057 1.00 4.10 H new ATOM 0 HD2 ARG A 71 -13.373 16.586 -15.926 1.00 10.50 H new ATOM 0 HD3 ARG A 71 -14.160 18.097 -15.513 1.00 10.50 H new ATOM 0 HE ARG A 71 -12.679 18.212 -18.040 1.00 50.42 H new ATOM 0 HH11 ARG A 71 -15.724 17.395 -16.453 1.00 14.53 H new ATOM 0 HH12 ARG A 71 -16.678 17.586 -17.928 1.00 14.53 H new ATOM 0 HH21 ARG A 71 -13.910 18.457 -19.930 1.00 21.41 H new ATOM 0 HH22 ARG A 71 -15.655 18.185 -19.889 1.00 21.41 H new ATOM 1114 N GLU A 72 -14.266 19.742 -13.304 1.00 54.01 N ATOM 1115 CA GLU A 72 -15.452 20.510 -13.664 1.00 1.21 C ATOM 1116 C GLU A 72 -15.409 21.902 -13.040 1.00 70.43 C ATOM 1117 O GLU A 72 -15.577 22.910 -13.727 1.00 11.43 O ATOM 1118 CB GLU A 72 -16.718 19.777 -13.214 1.00 22.23 C ATOM 1119 CG GLU A 72 -17.705 19.520 -14.339 1.00 34.14 C ATOM 1120 CD GLU A 72 -18.483 20.762 -14.728 1.00 32.13 C ATOM 1121 OE1 GLU A 72 -19.387 20.652 -15.583 1.00 33.13 O ATOM 1122 OE2 GLU A 72 -18.188 21.844 -14.179 1.00 51.30 O ATOM 0 H GLU A 72 -14.458 18.891 -12.776 1.00 54.01 H new ATOM 0 HA GLU A 72 -15.468 20.617 -14.749 1.00 1.21 H new ATOM 0 HB2 GLU A 72 -16.436 18.825 -12.765 1.00 22.23 H new ATOM 0 HB3 GLU A 72 -17.210 20.362 -12.437 1.00 22.23 H new ATOM 0 HG2 GLU A 72 -17.168 19.145 -15.210 1.00 34.14 H new ATOM 0 HG3 GLU A 72 -18.402 18.740 -14.034 1.00 34.14 H new ATOM 1129 N LYS A 73 -15.181 21.950 -11.732 1.00 73.14 N ATOM 1130 CA LYS A 73 -15.115 23.218 -11.013 1.00 43.30 C ATOM 1131 C LYS A 73 -14.006 24.103 -11.572 1.00 3.44 C ATOM 1132 O LYS A 73 -14.057 25.327 -11.454 1.00 21.13 O ATOM 1133 CB LYS A 73 -14.880 22.969 -9.521 1.00 60.03 C ATOM 1134 CG LYS A 73 -16.136 22.575 -8.764 1.00 55.20 C ATOM 1135 CD LYS A 73 -16.085 23.037 -7.318 1.00 32.13 C ATOM 1136 CE LYS A 73 -17.473 23.361 -6.786 1.00 43.33 C ATOM 1137 NZ LYS A 73 -18.170 22.145 -6.282 1.00 11.35 N ATOM 0 H LYS A 73 -15.039 21.126 -11.148 1.00 73.14 H new ATOM 0 HA LYS A 73 -16.067 23.732 -11.144 1.00 43.30 H new ATOM 0 HB2 LYS A 73 -14.135 22.182 -9.406 1.00 60.03 H new ATOM 0 HB3 LYS A 73 -14.463 23.871 -9.072 1.00 60.03 H new ATOM 0 HG2 LYS A 73 -17.008 23.008 -9.254 1.00 55.20 H new ATOM 0 HG3 LYS A 73 -16.257 21.492 -8.797 1.00 55.20 H new ATOM 0 HD2 LYS A 73 -15.631 22.260 -6.703 1.00 32.13 H new ATOM 0 HD3 LYS A 73 -15.449 23.919 -7.239 1.00 32.13 H new ATOM 0 HE2 LYS A 73 -17.393 24.093 -5.982 1.00 43.33 H new ATOM 0 HE3 LYS A 73 -18.067 23.819 -7.576 1.00 43.33 H new ATOM 0 HZ1 LYS A 73 -19.058 22.011 -6.807 1.00 11.35 H new ATOM 0 HZ2 LYS A 73 -17.559 21.314 -6.416 1.00 11.35 H new ATOM 0 HZ3 LYS A 73 -18.380 22.260 -5.270 1.00 11.35 H new ATOM 1151 N PHE A 74 -13.006 23.475 -12.182 1.00 21.24 N ATOM 1152 CA PHE A 74 -11.884 24.207 -12.761 1.00 70.32 C ATOM 1153 C PHE A 74 -12.182 24.608 -14.202 1.00 1.15 C ATOM 1154 O PHE A 74 -11.622 25.574 -14.718 1.00 51.30 O ATOM 1155 CB PHE A 74 -10.613 23.358 -12.708 1.00 45.10 C ATOM 1156 CG PHE A 74 -9.414 24.035 -13.309 1.00 61.43 C ATOM 1157 CD1 PHE A 74 -9.119 25.354 -13.000 1.00 51.24 C ATOM 1158 CD2 PHE A 74 -8.583 23.355 -14.184 1.00 45.35 C ATOM 1159 CE1 PHE A 74 -8.016 25.980 -13.550 1.00 54.34 C ATOM 1160 CE2 PHE A 74 -7.479 23.976 -14.737 1.00 44.22 C ATOM 1161 CZ PHE A 74 -7.196 25.290 -14.421 1.00 10.50 C ATOM 0 H PHE A 74 -12.949 22.462 -12.288 1.00 21.24 H new ATOM 0 HA PHE A 74 -11.732 25.113 -12.175 1.00 70.32 H new ATOM 0 HB2 PHE A 74 -10.396 23.107 -11.670 1.00 45.10 H new ATOM 0 HB3 PHE A 74 -10.791 22.419 -13.232 1.00 45.10 H new ATOM 0 HD1 PHE A 74 -9.759 25.899 -12.321 1.00 51.24 H new ATOM 0 HD2 PHE A 74 -8.800 22.328 -14.437 1.00 45.35 H new ATOM 0 HE1 PHE A 74 -7.796 27.007 -13.299 1.00 54.34 H new ATOM 0 HE2 PHE A 74 -6.838 23.434 -15.416 1.00 44.22 H new ATOM 0 HZ PHE A 74 -6.335 25.777 -14.854 1.00 10.50 H new ATOM 1171 N GLY A 75 -13.068 23.856 -14.848 1.00 13.51 N ATOM 1172 CA GLY A 75 -13.426 24.147 -16.224 1.00 3.23 C ATOM 1173 C GLY A 75 -12.998 23.049 -17.179 1.00 74.10 C ATOM 1174 O GLY A 75 -12.610 21.963 -16.751 1.00 10.50 O ATOM 0 H GLY A 75 -13.544 23.050 -14.443 1.00 13.51 H new ATOM 0 HA2 GLY A 75 -14.505 24.285 -16.294 1.00 3.23 H new ATOM 0 HA3 GLY A 75 -12.964 25.087 -16.525 1.00 3.23 H new ATOM 1178 N SER A 76 -13.072 23.333 -18.476 1.00 71.13 N ATOM 1179 CA SER A 76 -12.695 22.359 -19.494 1.00 42.01 C ATOM 1180 C SER A 76 -11.249 22.565 -19.932 1.00 22.00 C ATOM 1181 O SER A 76 -10.748 23.689 -19.954 1.00 43.13 O ATOM 1182 CB SER A 76 -13.627 22.467 -20.702 1.00 12.13 C ATOM 1183 OG SER A 76 -13.004 23.167 -21.766 1.00 62.45 O ATOM 0 H SER A 76 -13.389 24.229 -18.846 1.00 71.13 H new ATOM 0 HA SER A 76 -12.787 21.363 -19.062 1.00 42.01 H new ATOM 0 HB2 SER A 76 -13.911 21.469 -21.036 1.00 12.13 H new ATOM 0 HB3 SER A 76 -14.544 22.980 -20.413 1.00 12.13 H new ATOM 0 HG SER A 76 -13.620 23.221 -22.527 1.00 62.45 H new ATOM 1189 N SER A 77 -10.581 21.469 -20.282 1.00 42.13 N ATOM 1190 CA SER A 77 -9.190 21.527 -20.716 1.00 12.50 C ATOM 1191 C SER A 77 -8.674 20.136 -21.072 1.00 41.42 C ATOM 1192 O SER A 77 -8.734 19.212 -20.260 1.00 61.12 O ATOM 1193 CB SER A 77 -8.318 22.143 -19.623 1.00 65.24 C ATOM 1194 OG SER A 77 -7.081 21.460 -19.512 1.00 64.01 O ATOM 0 H SER A 77 -10.981 20.531 -20.273 1.00 42.13 H new ATOM 0 HA SER A 77 -9.139 22.153 -21.607 1.00 12.50 H new ATOM 0 HB2 SER A 77 -8.138 23.194 -19.847 1.00 65.24 H new ATOM 0 HB3 SER A 77 -8.844 22.106 -18.669 1.00 65.24 H new ATOM 0 HG SER A 77 -6.609 21.766 -18.709 1.00 64.01 H new ATOM 1200 N LYS A 78 -8.168 19.994 -22.292 1.00 33.24 N ATOM 1201 CA LYS A 78 -7.639 18.717 -22.758 1.00 71.54 C ATOM 1202 C LYS A 78 -6.536 18.215 -21.831 1.00 50.10 C ATOM 1203 O LYS A 78 -6.272 17.015 -21.761 1.00 44.04 O ATOM 1204 CB LYS A 78 -7.099 18.855 -24.183 1.00 32.21 C ATOM 1205 CG LYS A 78 -7.431 17.671 -25.076 1.00 32.55 C ATOM 1206 CD LYS A 78 -6.795 17.813 -26.448 1.00 33.02 C ATOM 1207 CE LYS A 78 -7.551 18.811 -27.313 1.00 70.34 C ATOM 1208 NZ LYS A 78 -8.068 18.184 -28.561 1.00 51.00 N ATOM 0 H LYS A 78 -8.113 20.748 -22.977 1.00 33.24 H new ATOM 0 HA LYS A 78 -8.452 17.991 -22.753 1.00 71.54 H new ATOM 0 HB2 LYS A 78 -7.505 19.762 -24.630 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -6.017 18.977 -24.142 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -7.083 16.751 -24.606 1.00 32.55 H new ATOM 0 HG3 LYS A 78 -8.512 17.586 -25.182 1.00 32.55 H new ATOM 0 HD2 LYS A 78 -5.760 18.136 -26.339 1.00 33.02 H new ATOM 0 HD3 LYS A 78 -6.775 16.842 -26.943 1.00 33.02 H new ATOM 0 HE2 LYS A 78 -8.383 19.227 -26.744 1.00 70.34 H new ATOM 0 HE3 LYS A 78 -6.893 19.641 -27.569 1.00 70.34 H new ATOM 0 HZ1 LYS A 78 -8.577 18.896 -29.122 1.00 51.00 H new ATOM 0 HZ2 LYS A 78 -7.273 17.809 -29.116 1.00 51.00 H new ATOM 0 HZ3 LYS A 78 -8.716 17.408 -28.317 1.00 51.00 H new ATOM 1222 N GLU A 79 -5.898 19.140 -21.122 1.00 35.50 N ATOM 1223 CA GLU A 79 -4.825 18.790 -20.200 1.00 4.40 C ATOM 1224 C GLU A 79 -5.371 18.037 -18.990 1.00 73.42 C ATOM 1225 O GLU A 79 -5.026 16.879 -18.758 1.00 1.51 O ATOM 1226 CB GLU A 79 -4.084 20.048 -19.742 1.00 43.35 C ATOM 1227 CG GLU A 79 -3.081 20.568 -20.757 1.00 12.23 C ATOM 1228 CD GLU A 79 -1.985 21.400 -20.121 1.00 63.10 C ATOM 1229 OE1 GLU A 79 -1.964 21.501 -18.876 1.00 10.43 O ATOM 1230 OE2 GLU A 79 -1.149 21.952 -20.867 1.00 10.12 O ATOM 0 H GLU A 79 -6.106 20.138 -21.168 1.00 35.50 H new ATOM 0 HA GLU A 79 -4.127 18.139 -20.726 1.00 4.40 H new ATOM 0 HB2 GLU A 79 -4.812 20.831 -19.530 1.00 43.35 H new ATOM 0 HB3 GLU A 79 -3.565 19.834 -18.808 1.00 43.35 H new ATOM 0 HG2 GLU A 79 -2.633 19.725 -21.284 1.00 12.23 H new ATOM 0 HG3 GLU A 79 -3.602 21.169 -21.502 1.00 12.23 H new ATOM 1237 N ILE A 80 -6.224 18.707 -18.221 1.00 11.51 N ATOM 1238 CA ILE A 80 -6.819 18.102 -17.035 1.00 12.12 C ATOM 1239 C ILE A 80 -7.611 16.850 -17.395 1.00 72.32 C ATOM 1240 O ILE A 80 -7.597 15.862 -16.661 1.00 2.42 O ATOM 1241 CB ILE A 80 -7.746 19.092 -16.305 1.00 50.42 C ATOM 1242 CG1 ILE A 80 -8.385 18.421 -15.087 1.00 5.43 C ATOM 1243 CG2 ILE A 80 -8.817 19.612 -17.252 1.00 21.24 C ATOM 1244 CD1 ILE A 80 -8.288 19.245 -13.822 1.00 11.15 C ATOM 0 H ILE A 80 -6.518 19.668 -18.398 1.00 11.51 H new ATOM 0 HA ILE A 80 -5.998 17.830 -16.372 1.00 12.12 H new ATOM 0 HB ILE A 80 -7.151 19.938 -15.961 1.00 50.42 H new ATOM 0 HG12 ILE A 80 -9.435 18.222 -15.301 1.00 5.43 H new ATOM 0 HG13 ILE A 80 -7.905 17.457 -14.920 1.00 5.43 H new ATOM 0 HG21 ILE A 80 -9.464 20.310 -16.721 1.00 21.24 H new ATOM 0 HG22 ILE A 80 -8.344 20.122 -18.091 1.00 21.24 H new ATOM 0 HG23 ILE A 80 -9.411 18.777 -17.623 1.00 21.24 H new ATOM 0 HD11 ILE A 80 -8.762 18.707 -13.000 1.00 11.15 H new ATOM 0 HD12 ILE A 80 -7.239 19.423 -13.583 1.00 11.15 H new ATOM 0 HD13 ILE A 80 -8.793 20.200 -13.970 1.00 11.15 H new ATOM 1256 N ASP A 81 -8.301 16.899 -18.529 1.00 12.01 N ATOM 1257 CA ASP A 81 -9.098 15.767 -18.990 1.00 63.52 C ATOM 1258 C ASP A 81 -8.220 14.540 -19.212 1.00 14.45 C ATOM 1259 O ASP A 81 -8.586 13.427 -18.836 1.00 45.41 O ATOM 1260 CB ASP A 81 -9.833 16.125 -20.282 1.00 73.23 C ATOM 1261 CG ASP A 81 -10.781 15.030 -20.731 1.00 22.44 C ATOM 1262 OD1 ASP A 81 -11.998 15.296 -20.816 1.00 41.24 O ATOM 1263 OD2 ASP A 81 -10.304 13.908 -21.000 1.00 71.25 O ATOM 0 H ASP A 81 -8.325 17.710 -19.147 1.00 12.01 H new ATOM 0 HA ASP A 81 -9.831 15.532 -18.218 1.00 63.52 H new ATOM 0 HB2 ASP A 81 -10.393 17.048 -20.134 1.00 73.23 H new ATOM 0 HB3 ASP A 81 -9.105 16.317 -21.070 1.00 73.23 H new ATOM 1268 N MET A 82 -7.062 14.751 -19.828 1.00 24.42 N ATOM 1269 CA MET A 82 -6.132 13.661 -20.102 1.00 72.45 C ATOM 1270 C MET A 82 -5.660 13.011 -18.805 1.00 60.22 C ATOM 1271 O MET A 82 -5.698 11.789 -18.662 1.00 54.53 O ATOM 1272 CB MET A 82 -4.929 14.174 -20.895 1.00 20.50 C ATOM 1273 CG MET A 82 -5.107 14.074 -22.402 1.00 62.24 C ATOM 1274 SD MET A 82 -4.130 12.746 -23.129 1.00 23.14 S ATOM 1275 CE MET A 82 -3.025 13.679 -24.187 1.00 65.21 C ATOM 0 H MET A 82 -6.745 15.666 -20.147 1.00 24.42 H new ATOM 0 HA MET A 82 -6.656 12.911 -20.695 1.00 72.45 H new ATOM 0 HB2 MET A 82 -4.745 15.214 -20.627 1.00 20.50 H new ATOM 0 HB3 MET A 82 -4.044 13.608 -20.604 1.00 20.50 H new ATOM 0 HG2 MET A 82 -6.160 13.911 -22.630 1.00 62.24 H new ATOM 0 HG3 MET A 82 -4.824 15.021 -22.861 1.00 62.24 H new ATOM 0 HE1 MET A 82 -2.355 12.994 -24.707 1.00 65.21 H new ATOM 0 HE2 MET A 82 -3.608 14.241 -24.917 1.00 65.21 H new ATOM 0 HE3 MET A 82 -2.439 14.370 -23.581 1.00 65.21 H new ATOM 1285 N ALA A 83 -5.216 13.836 -17.862 1.00 3.14 N ATOM 1286 CA ALA A 83 -4.738 13.340 -16.577 1.00 62.24 C ATOM 1287 C ALA A 83 -5.797 12.484 -15.891 1.00 45.01 C ATOM 1288 O ALA A 83 -5.478 11.483 -15.248 1.00 64.35 O ATOM 1289 CB ALA A 83 -4.335 14.502 -15.681 1.00 71.00 C ATOM 0 H ALA A 83 -5.177 14.850 -17.964 1.00 3.14 H new ATOM 0 HA ALA A 83 -3.864 12.714 -16.759 1.00 62.24 H new ATOM 0 HB1 ALA A 83 -3.980 14.118 -14.725 1.00 71.00 H new ATOM 0 HB2 ALA A 83 -3.540 15.073 -16.161 1.00 71.00 H new ATOM 0 HB3 ALA A 83 -5.196 15.149 -15.515 1.00 71.00 H new ATOM 1295 N ILE A 84 -7.057 12.882 -16.033 1.00 24.12 N ATOM 1296 CA ILE A 84 -8.162 12.150 -15.427 1.00 25.11 C ATOM 1297 C ILE A 84 -8.315 10.768 -16.054 1.00 61.34 C ATOM 1298 O ILE A 84 -8.226 9.750 -15.369 1.00 64.24 O ATOM 1299 CB ILE A 84 -9.490 12.915 -15.568 1.00 32.12 C ATOM 1300 CG1 ILE A 84 -9.394 14.277 -14.879 1.00 73.43 C ATOM 1301 CG2 ILE A 84 -10.636 12.101 -14.988 1.00 42.23 C ATOM 1302 CD1 ILE A 84 -10.244 15.346 -15.530 1.00 51.04 C ATOM 0 H ILE A 84 -7.338 13.707 -16.562 1.00 24.12 H new ATOM 0 HA ILE A 84 -7.926 12.043 -14.368 1.00 25.11 H new ATOM 0 HB ILE A 84 -9.687 13.078 -16.628 1.00 32.12 H new ATOM 0 HG12 ILE A 84 -9.695 14.170 -13.837 1.00 73.43 H new ATOM 0 HG13 ILE A 84 -8.354 14.602 -14.878 1.00 73.43 H new ATOM 0 HG21 ILE A 84 -11.568 12.656 -15.096 1.00 42.23 H new ATOM 0 HG22 ILE A 84 -10.715 11.153 -15.520 1.00 42.23 H new ATOM 0 HG23 ILE A 84 -10.448 11.909 -13.932 1.00 42.23 H new ATOM 0 HD11 ILE A 84 -10.126 16.285 -14.988 1.00 51.04 H new ATOM 0 HD12 ILE A 84 -9.929 15.482 -16.564 1.00 51.04 H new ATOM 0 HD13 ILE A 84 -11.291 15.043 -15.507 1.00 51.04 H new ATOM 1314 N VAL A 85 -8.545 10.741 -17.363 1.00 23.03 N ATOM 1315 CA VAL A 85 -8.707 9.484 -18.084 1.00 13.12 C ATOM 1316 C VAL A 85 -7.491 8.583 -17.901 1.00 73.44 C ATOM 1317 O VAL A 85 -7.579 7.364 -18.047 1.00 43.55 O ATOM 1318 CB VAL A 85 -8.931 9.726 -19.589 1.00 45.03 C ATOM 1319 CG1 VAL A 85 -7.718 10.404 -20.207 1.00 21.23 C ATOM 1320 CG2 VAL A 85 -9.240 8.415 -20.298 1.00 22.33 C ATOM 0 H VAL A 85 -8.623 11.575 -17.945 1.00 23.03 H new ATOM 0 HA VAL A 85 -9.585 8.991 -17.667 1.00 13.12 H new ATOM 0 HB VAL A 85 -9.788 10.389 -19.710 1.00 45.03 H new ATOM 0 HG11 VAL A 85 -7.895 10.567 -21.270 1.00 21.23 H new ATOM 0 HG12 VAL A 85 -7.548 11.362 -19.716 1.00 21.23 H new ATOM 0 HG13 VAL A 85 -6.841 9.769 -20.078 1.00 21.23 H new ATOM 0 HG21 VAL A 85 -9.396 8.604 -21.360 1.00 22.33 H new ATOM 0 HG22 VAL A 85 -8.405 7.727 -20.170 1.00 22.33 H new ATOM 0 HG23 VAL A 85 -10.141 7.975 -19.872 1.00 22.33 H new ATOM 1330 N THR A 86 -6.354 9.192 -17.579 1.00 41.11 N ATOM 1331 CA THR A 86 -5.119 8.446 -17.375 1.00 3.32 C ATOM 1332 C THR A 86 -5.177 7.625 -16.093 1.00 32.20 C ATOM 1333 O THR A 86 -5.062 6.398 -16.122 1.00 75.20 O ATOM 1334 CB THR A 86 -3.898 9.385 -17.316 1.00 55.42 C ATOM 1335 OG1 THR A 86 -3.749 10.074 -18.562 1.00 22.11 O ATOM 1336 CG2 THR A 86 -2.630 8.604 -17.007 1.00 63.42 C ATOM 0 H THR A 86 -6.263 10.200 -17.454 1.00 41.11 H new ATOM 0 HA THR A 86 -5.011 7.775 -18.227 1.00 3.32 H new ATOM 0 HB THR A 86 -4.063 10.110 -16.519 1.00 55.42 H new ATOM 0 HG1 THR A 86 -4.236 10.924 -18.526 1.00 22.11 H new ATOM 0 HG21 THR A 86 -1.782 9.287 -16.970 1.00 63.42 H new ATOM 0 HG22 THR A 86 -2.736 8.105 -16.044 1.00 63.42 H new ATOM 0 HG23 THR A 86 -2.463 7.859 -17.785 1.00 63.42 H new ATOM 1344 N LEU A 87 -5.355 8.307 -14.967 1.00 52.41 N ATOM 1345 CA LEU A 87 -5.430 7.640 -13.672 1.00 43.01 C ATOM 1346 C LEU A 87 -6.621 6.689 -13.617 1.00 52.35 C ATOM 1347 O LEU A 87 -6.645 5.750 -12.819 1.00 35.33 O ATOM 1348 CB LEU A 87 -5.535 8.673 -12.549 1.00 54.21 C ATOM 1349 CG LEU A 87 -4.264 8.909 -11.732 1.00 42.03 C ATOM 1350 CD1 LEU A 87 -4.509 9.952 -10.653 1.00 21.42 C ATOM 1351 CD2 LEU A 87 -3.778 7.606 -11.115 1.00 4.10 C ATOM 0 H LEU A 87 -5.450 9.322 -14.925 1.00 52.41 H new ATOM 0 HA LEU A 87 -4.518 7.058 -13.538 1.00 43.01 H new ATOM 0 HB2 LEU A 87 -5.844 9.623 -12.984 1.00 54.21 H new ATOM 0 HB3 LEU A 87 -6.327 8.361 -11.869 1.00 54.21 H new ATOM 0 HG LEU A 87 -3.489 9.283 -12.401 1.00 42.03 H new ATOM 0 HD11 LEU A 87 -3.594 10.107 -10.082 1.00 21.42 H new ATOM 0 HD12 LEU A 87 -4.811 10.891 -11.117 1.00 21.42 H new ATOM 0 HD13 LEU A 87 -5.299 9.607 -9.986 1.00 21.42 H new ATOM 0 HD21 LEU A 87 -2.873 7.792 -10.537 1.00 4.10 H new ATOM 0 HD22 LEU A 87 -4.550 7.203 -10.460 1.00 4.10 H new ATOM 0 HD23 LEU A 87 -3.562 6.887 -11.906 1.00 4.10 H new ATOM 1363 N LYS A 88 -7.609 6.937 -14.470 1.00 54.43 N ATOM 1364 CA LYS A 88 -8.804 6.102 -14.522 1.00 64.51 C ATOM 1365 C LYS A 88 -8.491 4.744 -15.145 1.00 72.31 C ATOM 1366 O LYS A 88 -8.593 3.711 -14.485 1.00 42.54 O ATOM 1367 CB LYS A 88 -9.905 6.801 -15.322 1.00 2.32 C ATOM 1368 CG LYS A 88 -11.137 7.132 -14.499 1.00 34.32 C ATOM 1369 CD LYS A 88 -11.526 8.594 -14.641 1.00 32.42 C ATOM 1370 CE LYS A 88 -12.938 8.847 -14.135 1.00 33.52 C ATOM 1371 NZ LYS A 88 -13.697 9.757 -15.039 1.00 24.31 N ATOM 0 H LYS A 88 -7.606 7.710 -15.135 1.00 54.43 H new ATOM 0 HA LYS A 88 -9.151 5.943 -13.501 1.00 64.51 H new ATOM 0 HB2 LYS A 88 -9.505 7.721 -15.748 1.00 2.32 H new ATOM 0 HB3 LYS A 88 -10.196 6.164 -16.157 1.00 2.32 H new ATOM 0 HG2 LYS A 88 -11.968 6.501 -14.816 1.00 34.32 H new ATOM 0 HG3 LYS A 88 -10.947 6.905 -13.450 1.00 34.32 H new ATOM 0 HD2 LYS A 88 -10.823 9.214 -14.085 1.00 32.42 H new ATOM 0 HD3 LYS A 88 -11.455 8.891 -15.687 1.00 32.42 H new ATOM 0 HE2 LYS A 88 -13.468 7.898 -14.047 1.00 33.52 H new ATOM 0 HE3 LYS A 88 -12.893 9.281 -13.136 1.00 33.52 H new ATOM 0 HZ1 LYS A 88 -14.278 10.406 -14.471 1.00 24.31 H new ATOM 0 HZ2 LYS A 88 -13.030 10.306 -15.618 1.00 24.31 H new ATOM 0 HZ3 LYS A 88 -14.313 9.195 -15.660 1.00 24.31 H new ATOM 1385 N VAL A 89 -8.110 4.756 -16.418 1.00 71.42 N ATOM 1386 CA VAL A 89 -7.780 3.526 -17.129 1.00 74.13 C ATOM 1387 C VAL A 89 -6.596 2.818 -16.481 1.00 31.14 C ATOM 1388 O VAL A 89 -6.434 1.606 -16.616 1.00 2.24 O ATOM 1389 CB VAL A 89 -7.454 3.804 -18.608 1.00 3.01 C ATOM 1390 CG1 VAL A 89 -6.274 4.756 -18.725 1.00 4.30 C ATOM 1391 CG2 VAL A 89 -7.175 2.503 -19.344 1.00 4.44 C ATOM 0 H VAL A 89 -8.022 5.604 -16.978 1.00 71.42 H new ATOM 0 HA VAL A 89 -8.658 2.882 -17.074 1.00 74.13 H new ATOM 0 HB VAL A 89 -8.319 4.279 -19.070 1.00 3.01 H new ATOM 0 HG11 VAL A 89 -6.058 4.941 -19.777 1.00 4.30 H new ATOM 0 HG12 VAL A 89 -6.517 5.698 -18.234 1.00 4.30 H new ATOM 0 HG13 VAL A 89 -5.400 4.312 -18.248 1.00 4.30 H new ATOM 0 HG21 VAL A 89 -6.946 2.717 -20.388 1.00 4.44 H new ATOM 0 HG22 VAL A 89 -6.326 1.999 -18.883 1.00 4.44 H new ATOM 0 HG23 VAL A 89 -8.053 1.859 -19.290 1.00 4.44 H new ATOM 1401 N PHE A 90 -5.768 3.585 -15.778 1.00 40.14 N ATOM 1402 CA PHE A 90 -4.597 3.030 -15.109 1.00 23.45 C ATOM 1403 C PHE A 90 -5.002 2.235 -13.872 1.00 63.43 C ATOM 1404 O PHE A 90 -4.472 1.154 -13.615 1.00 73.41 O ATOM 1405 CB PHE A 90 -3.631 4.150 -14.716 1.00 21.42 C ATOM 1406 CG PHE A 90 -2.330 3.651 -14.154 1.00 15.24 C ATOM 1407 CD1 PHE A 90 -2.085 3.699 -12.791 1.00 14.53 C ATOM 1408 CD2 PHE A 90 -1.353 3.135 -14.989 1.00 45.21 C ATOM 1409 CE1 PHE A 90 -0.891 3.239 -12.271 1.00 4.01 C ATOM 1410 CE2 PHE A 90 -0.156 2.673 -14.474 1.00 32.43 C ATOM 1411 CZ PHE A 90 0.076 2.727 -13.114 1.00 73.34 C ATOM 0 H PHE A 90 -5.886 4.591 -15.657 1.00 40.14 H new ATOM 0 HA PHE A 90 -4.098 2.355 -15.804 1.00 23.45 H new ATOM 0 HB2 PHE A 90 -3.427 4.766 -15.591 1.00 21.42 H new ATOM 0 HB3 PHE A 90 -4.113 4.793 -13.979 1.00 21.42 H new ATOM 0 HD1 PHE A 90 -2.836 4.101 -12.128 1.00 14.53 H new ATOM 0 HD2 PHE A 90 -1.528 3.093 -16.054 1.00 45.21 H new ATOM 0 HE1 PHE A 90 -0.714 3.280 -11.206 1.00 4.01 H new ATOM 0 HE2 PHE A 90 0.597 2.270 -15.135 1.00 32.43 H new ATOM 0 HZ PHE A 90 1.012 2.370 -12.710 1.00 73.34 H new ATOM 1421 N ALA A 91 -5.944 2.780 -13.108 1.00 2.42 N ATOM 1422 CA ALA A 91 -6.421 2.121 -11.899 1.00 62.35 C ATOM 1423 C ALA A 91 -7.163 0.831 -12.232 1.00 22.42 C ATOM 1424 O ALA A 91 -7.043 -0.167 -11.521 1.00 3.35 O ATOM 1425 CB ALA A 91 -7.320 3.059 -11.107 1.00 73.33 C ATOM 0 H ALA A 91 -6.391 3.675 -13.305 1.00 2.42 H new ATOM 0 HA ALA A 91 -5.555 1.864 -11.290 1.00 62.35 H new ATOM 0 HB1 ALA A 91 -7.669 2.554 -10.206 1.00 73.33 H new ATOM 0 HB2 ALA A 91 -6.759 3.951 -10.828 1.00 73.33 H new ATOM 0 HB3 ALA A 91 -8.176 3.345 -11.718 1.00 73.33 H new ATOM 1431 N VAL A 92 -7.929 0.858 -13.317 1.00 54.33 N ATOM 1432 CA VAL A 92 -8.691 -0.310 -13.744 1.00 25.13 C ATOM 1433 C VAL A 92 -7.799 -1.312 -14.469 1.00 21.21 C ATOM 1434 O VAL A 92 -7.623 -2.443 -14.016 1.00 20.52 O ATOM 1435 CB VAL A 92 -9.856 0.087 -14.671 1.00 64.30 C ATOM 1436 CG1 VAL A 92 -10.749 -1.111 -14.950 1.00 40.33 C ATOM 1437 CG2 VAL A 92 -10.656 1.228 -14.060 1.00 34.21 C ATOM 0 H VAL A 92 -8.039 1.676 -13.917 1.00 54.33 H new ATOM 0 HA VAL A 92 -9.095 -0.771 -12.843 1.00 25.13 H new ATOM 0 HB VAL A 92 -9.443 0.429 -15.620 1.00 64.30 H new ATOM 0 HG11 VAL A 92 -11.566 -0.811 -15.606 1.00 40.33 H new ATOM 0 HG12 VAL A 92 -10.166 -1.895 -15.432 1.00 40.33 H new ATOM 0 HG13 VAL A 92 -11.157 -1.487 -14.012 1.00 40.33 H new ATOM 0 HG21 VAL A 92 -11.475 1.496 -14.727 1.00 34.21 H new ATOM 0 HG22 VAL A 92 -11.060 0.914 -13.097 1.00 34.21 H new ATOM 0 HG23 VAL A 92 -10.007 2.092 -13.917 1.00 34.21 H new ATOM 1447 N ALA A 93 -7.238 -0.888 -15.597 1.00 0.40 N ATOM 1448 CA ALA A 93 -6.362 -1.747 -16.384 1.00 2.25 C ATOM 1449 C ALA A 93 -5.126 -2.150 -15.585 1.00 13.04 C ATOM 1450 O ALA A 93 -4.432 -3.104 -15.936 1.00 34.32 O ATOM 1451 CB ALA A 93 -5.955 -1.048 -17.673 1.00 51.50 C ATOM 0 H ALA A 93 -7.375 0.045 -15.986 1.00 0.40 H new ATOM 0 HA ALA A 93 -6.913 -2.654 -16.634 1.00 2.25 H new ATOM 0 HB1 ALA A 93 -5.301 -1.701 -18.250 1.00 51.50 H new ATOM 0 HB2 ALA A 93 -6.845 -0.817 -18.258 1.00 51.50 H new ATOM 0 HB3 ALA A 93 -5.427 -0.125 -17.435 1.00 51.50 H new ATOM 1457 N GLY A 94 -4.856 -1.415 -14.512 1.00 75.53 N ATOM 1458 CA GLY A 94 -3.703 -1.710 -13.681 1.00 12.03 C ATOM 1459 C GLY A 94 -4.059 -2.553 -12.473 1.00 75.04 C ATOM 1460 O GLY A 94 -3.711 -3.732 -12.405 1.00 4.42 O ATOM 0 H GLY A 94 -5.415 -0.620 -14.202 1.00 75.53 H new ATOM 0 HA2 GLY A 94 -2.954 -2.232 -14.276 1.00 12.03 H new ATOM 0 HA3 GLY A 94 -3.251 -0.776 -13.348 1.00 12.03 H new ATOM 1464 N LEU A 95 -4.753 -1.949 -11.516 1.00 74.33 N ATOM 1465 CA LEU A 95 -5.156 -2.652 -10.302 1.00 32.14 C ATOM 1466 C LEU A 95 -6.055 -3.838 -10.634 1.00 45.32 C ATOM 1467 O LEU A 95 -5.859 -4.942 -10.121 1.00 21.13 O ATOM 1468 CB LEU A 95 -5.883 -1.696 -9.354 1.00 41.43 C ATOM 1469 CG LEU A 95 -5.438 -1.737 -7.891 1.00 14.10 C ATOM 1470 CD1 LEU A 95 -5.454 -3.165 -7.368 1.00 72.43 C ATOM 1471 CD2 LEU A 95 -4.053 -1.125 -7.737 1.00 54.45 C ATOM 0 H LEU A 95 -5.049 -0.974 -11.556 1.00 74.33 H new ATOM 0 HA LEU A 95 -4.257 -3.027 -9.812 1.00 32.14 H new ATOM 0 HB2 LEU A 95 -5.753 -0.679 -9.725 1.00 41.43 H new ATOM 0 HB3 LEU A 95 -6.950 -1.916 -9.395 1.00 41.43 H new ATOM 0 HG LEU A 95 -6.140 -1.148 -7.301 1.00 14.10 H new ATOM 0 HD11 LEU A 95 -5.135 -3.174 -6.326 1.00 72.43 H new ATOM 0 HD12 LEU A 95 -6.464 -3.568 -7.442 1.00 72.43 H new ATOM 0 HD13 LEU A 95 -4.775 -3.777 -7.961 1.00 72.43 H new ATOM 0 HD21 LEU A 95 -3.753 -1.163 -6.690 1.00 54.45 H new ATOM 0 HD22 LEU A 95 -3.338 -1.686 -8.340 1.00 54.45 H new ATOM 0 HD23 LEU A 95 -4.074 -0.088 -8.071 1.00 54.45 H new ATOM 1483 N LEU A 96 -7.039 -3.607 -11.495 1.00 12.24 N ATOM 1484 CA LEU A 96 -7.967 -4.658 -11.898 1.00 64.14 C ATOM 1485 C LEU A 96 -7.393 -5.480 -13.047 1.00 53.10 C ATOM 1486 O LEU A 96 -8.029 -6.415 -13.533 1.00 71.21 O ATOM 1487 CB LEU A 96 -9.309 -4.051 -12.309 1.00 71.10 C ATOM 1488 CG LEU A 96 -10.550 -4.658 -11.654 1.00 73.31 C ATOM 1489 CD1 LEU A 96 -10.621 -6.152 -11.927 1.00 5.20 C ATOM 1490 CD2 LEU A 96 -10.549 -4.386 -10.156 1.00 3.54 C ATOM 0 H LEU A 96 -7.215 -2.701 -11.928 1.00 12.24 H new ATOM 0 HA LEU A 96 -8.121 -5.319 -11.045 1.00 64.14 H new ATOM 0 HB2 LEU A 96 -9.288 -2.985 -12.082 1.00 71.10 H new ATOM 0 HB3 LEU A 96 -9.411 -4.144 -13.390 1.00 71.10 H new ATOM 0 HG LEU A 96 -11.433 -4.189 -12.088 1.00 73.31 H new ATOM 0 HD11 LEU A 96 -11.511 -6.567 -11.453 1.00 5.20 H new ATOM 0 HD12 LEU A 96 -10.669 -6.323 -13.002 1.00 5.20 H new ATOM 0 HD13 LEU A 96 -9.734 -6.639 -11.522 1.00 5.20 H new ATOM 0 HD21 LEU A 96 -11.439 -4.825 -9.706 1.00 3.54 H new ATOM 0 HD22 LEU A 96 -9.660 -4.828 -9.707 1.00 3.54 H new ATOM 0 HD23 LEU A 96 -10.547 -3.310 -9.982 1.00 3.54 H new ATOM 1502 N ASN A 97 -6.186 -5.126 -13.476 1.00 11.03 N ATOM 1503 CA ASN A 97 -5.526 -5.832 -14.569 1.00 64.10 C ATOM 1504 C ASN A 97 -6.443 -5.934 -15.784 1.00 42.15 C ATOM 1505 O ASN A 97 -6.360 -6.887 -16.558 1.00 0.11 O ATOM 1506 CB ASN A 97 -5.101 -7.230 -14.117 1.00 54.12 C ATOM 1507 CG ASN A 97 -4.253 -7.199 -12.859 1.00 15.33 C ATOM 1508 OD1 ASN A 97 -3.343 -6.381 -12.732 1.00 25.42 O ATOM 1509 ND2 ASN A 97 -4.550 -8.094 -11.924 1.00 73.30 N ATOM 0 H ASN A 97 -5.645 -4.355 -13.084 1.00 11.03 H new ATOM 0 HA ASN A 97 -4.640 -5.264 -14.853 1.00 64.10 H new ATOM 0 HB2 ASN A 97 -5.989 -7.837 -13.938 1.00 54.12 H new ATOM 0 HB3 ASN A 97 -4.541 -7.713 -14.918 1.00 54.12 H new ATOM 0 HD21 ASN A 97 -4.014 -8.122 -11.057 1.00 73.30 H new ATOM 0 HD22 ASN A 97 -5.314 -8.753 -12.073 1.00 73.30 H new ATOM 1516 N MET A 98 -7.318 -4.947 -15.942 1.00 35.33 N ATOM 1517 CA MET A 98 -8.250 -4.925 -17.064 1.00 24.34 C ATOM 1518 C MET A 98 -7.505 -4.772 -18.387 1.00 2.31 C ATOM 1519 O MET A 98 -6.587 -3.960 -18.504 1.00 0.42 O ATOM 1520 CB MET A 98 -9.256 -3.785 -16.898 1.00 24.41 C ATOM 1521 CG MET A 98 -10.667 -4.151 -17.328 1.00 51.24 C ATOM 1522 SD MET A 98 -11.675 -4.757 -15.962 1.00 11.40 S ATOM 1523 CE MET A 98 -12.331 -6.267 -16.669 1.00 11.32 C ATOM 0 H MET A 98 -7.402 -4.152 -15.308 1.00 35.33 H new ATOM 0 HA MET A 98 -8.786 -5.874 -17.076 1.00 24.34 H new ATOM 0 HB2 MET A 98 -9.272 -3.475 -15.853 1.00 24.41 H new ATOM 0 HB3 MET A 98 -8.919 -2.927 -17.479 1.00 24.41 H new ATOM 0 HG2 MET A 98 -11.147 -3.277 -17.768 1.00 51.24 H new ATOM 0 HG3 MET A 98 -10.619 -4.914 -18.105 1.00 51.24 H new ATOM 0 HE1 MET A 98 -12.977 -6.759 -15.942 1.00 11.32 H new ATOM 0 HE2 MET A 98 -12.907 -6.030 -17.564 1.00 11.32 H new ATOM 0 HE3 MET A 98 -11.509 -6.932 -16.933 1.00 11.32 H new ATOM 1533 N THR A 99 -7.907 -5.558 -19.381 1.00 4.12 N ATOM 1534 CA THR A 99 -7.277 -5.511 -20.694 1.00 21.24 C ATOM 1535 C THR A 99 -8.018 -4.560 -21.626 1.00 31.12 C ATOM 1536 O THR A 99 -8.218 -4.858 -22.804 1.00 13.43 O ATOM 1537 CB THR A 99 -7.222 -6.907 -21.342 1.00 2.43 C ATOM 1538 OG1 THR A 99 -6.531 -6.841 -22.595 1.00 74.43 O ATOM 1539 CG2 THR A 99 -8.623 -7.459 -21.559 1.00 71.02 C ATOM 0 H THR A 99 -8.666 -6.235 -19.301 1.00 4.12 H new ATOM 0 HA THR A 99 -6.260 -5.149 -20.543 1.00 21.24 H new ATOM 0 HB THR A 99 -6.686 -7.574 -20.667 1.00 2.43 H new ATOM 0 HG1 THR A 99 -6.942 -6.153 -23.159 1.00 74.43 H new ATOM 0 HG21 THR A 99 -8.558 -8.446 -22.018 1.00 71.02 H new ATOM 0 HG22 THR A 99 -9.136 -7.537 -20.600 1.00 71.02 H new ATOM 0 HG23 THR A 99 -9.180 -6.790 -22.215 1.00 71.02 H new ATOM 1547 N VAL A 100 -8.424 -3.412 -21.093 1.00 71.11 N ATOM 1548 CA VAL A 100 -9.143 -2.416 -21.878 1.00 72.12 C ATOM 1549 C VAL A 100 -8.397 -2.088 -23.166 1.00 23.01 C ATOM 1550 O VAL A 100 -7.170 -2.181 -23.225 1.00 35.51 O ATOM 1551 CB VAL A 100 -9.356 -1.117 -21.077 1.00 51.42 C ATOM 1552 CG1 VAL A 100 -10.124 -1.402 -19.794 1.00 34.33 C ATOM 1553 CG2 VAL A 100 -8.022 -0.454 -20.773 1.00 30.22 C ATOM 0 H VAL A 100 -8.267 -3.149 -20.120 1.00 71.11 H new ATOM 0 HA VAL A 100 -10.114 -2.847 -22.123 1.00 72.12 H new ATOM 0 HB VAL A 100 -9.947 -0.430 -21.682 1.00 51.42 H new ATOM 0 HG11 VAL A 100 -10.265 -0.474 -19.241 1.00 34.33 H new ATOM 0 HG12 VAL A 100 -11.096 -1.830 -20.039 1.00 34.33 H new ATOM 0 HG13 VAL A 100 -9.561 -2.107 -19.182 1.00 34.33 H new ATOM 0 HG21 VAL A 100 -8.192 0.462 -20.207 1.00 30.22 H new ATOM 0 HG22 VAL A 100 -7.403 -1.134 -20.187 1.00 30.22 H new ATOM 0 HG23 VAL A 100 -7.514 -0.214 -21.707 1.00 30.22 H new ATOM 1563 N SER A 101 -9.144 -1.705 -24.195 1.00 12.12 N ATOM 1564 CA SER A 101 -8.553 -1.366 -25.485 1.00 51.21 C ATOM 1565 C SER A 101 -8.209 0.118 -25.551 1.00 20.45 C ATOM 1566 O SER A 101 -7.153 0.502 -26.058 1.00 42.21 O ATOM 1567 CB SER A 101 -9.512 -1.730 -26.621 1.00 42.23 C ATOM 1568 OG SER A 101 -10.467 -2.687 -26.194 1.00 2.32 O ATOM 0 H SER A 101 -10.160 -1.621 -24.162 1.00 12.12 H new ATOM 0 HA SER A 101 -7.633 -1.940 -25.598 1.00 51.21 H new ATOM 0 HB2 SER A 101 -10.023 -0.833 -26.972 1.00 42.23 H new ATOM 0 HB3 SER A 101 -8.948 -2.126 -27.465 1.00 42.23 H new ATOM 0 HG SER A 101 -11.069 -2.902 -26.937 1.00 2.32 H new ATOM 1574 N THR A 102 -9.108 0.953 -25.036 1.00 1.51 N ATOM 1575 CA THR A 102 -8.901 2.395 -25.038 1.00 72.34 C ATOM 1576 C THR A 102 -9.140 2.985 -23.653 1.00 31.24 C ATOM 1577 O THR A 102 -9.888 2.428 -22.851 1.00 35.21 O ATOM 1578 CB THR A 102 -9.829 3.094 -26.049 1.00 73.13 C ATOM 1579 OG1 THR A 102 -11.173 3.104 -25.556 1.00 40.25 O ATOM 1580 CG2 THR A 102 -9.784 2.395 -27.399 1.00 4.22 C ATOM 0 H THR A 102 -9.986 0.654 -24.612 1.00 1.51 H new ATOM 0 HA THR A 102 -7.865 2.566 -25.329 1.00 72.34 H new ATOM 0 HB THR A 102 -9.482 4.119 -26.177 1.00 73.13 H new ATOM 0 HG1 THR A 102 -11.756 3.552 -26.204 1.00 40.25 H new ATOM 0 HG21 THR A 102 -10.447 2.907 -28.096 1.00 4.22 H new ATOM 0 HG22 THR A 102 -8.765 2.416 -27.786 1.00 4.22 H new ATOM 0 HG23 THR A 102 -10.107 1.360 -27.284 1.00 4.22 H new ATOM 1588 N ALA A 103 -8.500 4.117 -23.379 1.00 33.51 N ATOM 1589 CA ALA A 103 -8.646 4.785 -22.091 1.00 31.54 C ATOM 1590 C ALA A 103 -10.105 5.128 -21.813 1.00 41.44 C ATOM 1591 O ALA A 103 -10.554 5.085 -20.667 1.00 2.10 O ATOM 1592 CB ALA A 103 -7.790 6.043 -22.049 1.00 4.01 C ATOM 0 H ALA A 103 -7.875 4.591 -24.032 1.00 33.51 H new ATOM 0 HA ALA A 103 -8.306 4.100 -21.314 1.00 31.54 H new ATOM 0 HB1 ALA A 103 -7.909 6.532 -21.082 1.00 4.01 H new ATOM 0 HB2 ALA A 103 -6.743 5.776 -22.195 1.00 4.01 H new ATOM 0 HB3 ALA A 103 -8.104 6.724 -22.840 1.00 4.01 H new ATOM 1598 N ALA A 104 -10.840 5.467 -22.866 1.00 51.24 N ATOM 1599 CA ALA A 104 -12.250 5.814 -22.734 1.00 33.42 C ATOM 1600 C ALA A 104 -13.069 4.616 -22.267 1.00 62.25 C ATOM 1601 O ALA A 104 -13.869 4.724 -21.337 1.00 62.41 O ATOM 1602 CB ALA A 104 -12.789 6.342 -24.055 1.00 3.30 C ATOM 0 H ALA A 104 -10.483 5.509 -23.821 1.00 51.24 H new ATOM 0 HA ALA A 104 -12.337 6.596 -21.980 1.00 33.42 H new ATOM 0 HB1 ALA A 104 -13.843 6.597 -23.942 1.00 3.30 H new ATOM 0 HB2 ALA A 104 -12.230 7.231 -24.347 1.00 3.30 H new ATOM 0 HB3 ALA A 104 -12.681 5.577 -24.824 1.00 3.30 H new ATOM 1608 N ALA A 105 -12.865 3.475 -22.916 1.00 31.30 N ATOM 1609 CA ALA A 105 -13.584 2.257 -22.566 1.00 52.22 C ATOM 1610 C ALA A 105 -13.365 1.892 -21.102 1.00 45.11 C ATOM 1611 O ALA A 105 -14.306 1.538 -20.392 1.00 33.34 O ATOM 1612 CB ALA A 105 -13.152 1.111 -23.468 1.00 10.31 C ATOM 0 H ALA A 105 -12.207 3.369 -23.688 1.00 31.30 H new ATOM 0 HA ALA A 105 -14.649 2.438 -22.713 1.00 52.22 H new ATOM 0 HB1 ALA A 105 -13.697 0.208 -23.195 1.00 10.31 H new ATOM 0 HB2 ALA A 105 -13.366 1.364 -24.506 1.00 10.31 H new ATOM 0 HB3 ALA A 105 -12.082 0.939 -23.350 1.00 10.31 H new ATOM 1618 N ALA A 106 -12.116 1.980 -20.655 1.00 12.40 N ATOM 1619 CA ALA A 106 -11.773 1.659 -19.276 1.00 74.43 C ATOM 1620 C ALA A 106 -12.477 2.601 -18.303 1.00 22.45 C ATOM 1621 O ALA A 106 -13.163 2.159 -17.383 1.00 3.53 O ATOM 1622 CB ALA A 106 -10.266 1.723 -19.077 1.00 0.14 C ATOM 0 H ALA A 106 -11.325 2.271 -21.229 1.00 12.40 H new ATOM 0 HA ALA A 106 -12.112 0.644 -19.070 1.00 74.43 H new ATOM 0 HB1 ALA A 106 -10.025 1.481 -18.042 1.00 0.14 H new ATOM 0 HB2 ALA A 106 -9.781 1.006 -19.740 1.00 0.14 H new ATOM 0 HB3 ALA A 106 -9.911 2.728 -19.307 1.00 0.14 H new ATOM 1628 N GLU A 107 -12.299 3.903 -18.513 1.00 42.50 N ATOM 1629 CA GLU A 107 -12.916 4.906 -17.653 1.00 42.50 C ATOM 1630 C GLU A 107 -14.426 4.700 -17.574 1.00 1.30 C ATOM 1631 O GLU A 107 -15.019 4.791 -16.500 1.00 51.35 O ATOM 1632 CB GLU A 107 -12.608 6.312 -18.171 1.00 4.22 C ATOM 1633 CG GLU A 107 -13.332 7.411 -17.412 1.00 24.35 C ATOM 1634 CD GLU A 107 -14.588 7.879 -18.121 1.00 73.44 C ATOM 1635 OE1 GLU A 107 -14.555 8.009 -19.363 1.00 64.15 O ATOM 1636 OE2 GLU A 107 -15.604 8.117 -17.434 1.00 62.33 O ATOM 0 H GLU A 107 -11.733 4.286 -19.270 1.00 42.50 H new ATOM 0 HA GLU A 107 -12.499 4.796 -16.652 1.00 42.50 H new ATOM 0 HB2 GLU A 107 -11.534 6.486 -18.109 1.00 4.22 H new ATOM 0 HB3 GLU A 107 -12.880 6.370 -19.225 1.00 4.22 H new ATOM 0 HG2 GLU A 107 -13.594 7.049 -16.418 1.00 24.35 H new ATOM 0 HG3 GLU A 107 -12.659 8.258 -17.276 1.00 24.35 H new ATOM 1643 N ASN A 108 -15.040 4.422 -18.719 1.00 31.13 N ATOM 1644 CA ASN A 108 -16.481 4.204 -18.780 1.00 32.45 C ATOM 1645 C ASN A 108 -16.894 3.045 -17.879 1.00 55.25 C ATOM 1646 O ASN A 108 -17.901 3.121 -17.175 1.00 31.10 O ATOM 1647 CB ASN A 108 -16.916 3.926 -20.220 1.00 4.01 C ATOM 1648 CG ASN A 108 -18.393 4.184 -20.439 1.00 73.03 C ATOM 1649 OD1 ASN A 108 -19.175 3.254 -20.639 1.00 31.11 O ATOM 1650 ND2 ASN A 108 -18.784 5.453 -20.403 1.00 61.22 N ATOM 0 H ASN A 108 -14.563 4.342 -19.617 1.00 31.13 H new ATOM 0 HA ASN A 108 -16.975 5.109 -18.427 1.00 32.45 H new ATOM 0 HB2 ASN A 108 -16.336 4.552 -20.899 1.00 4.01 H new ATOM 0 HB3 ASN A 108 -16.690 2.890 -20.471 1.00 4.01 H new ATOM 0 HD21 ASN A 108 -19.766 5.688 -20.544 1.00 61.22 H new ATOM 0 HD22 ASN A 108 -18.102 6.192 -20.234 1.00 61.22 H new ATOM 1657 N MET A 109 -16.111 1.972 -17.906 1.00 11.31 N ATOM 1658 CA MET A 109 -16.395 0.797 -17.091 1.00 51.02 C ATOM 1659 C MET A 109 -16.165 1.094 -15.612 1.00 42.32 C ATOM 1660 O MET A 109 -16.936 0.662 -14.755 1.00 73.23 O ATOM 1661 CB MET A 109 -15.520 -0.378 -17.529 1.00 41.41 C ATOM 1662 CG MET A 109 -16.166 -1.735 -17.302 1.00 40.22 C ATOM 1663 SD MET A 109 -14.960 -3.070 -17.191 1.00 25.33 S ATOM 1664 CE MET A 109 -14.865 -3.295 -15.417 1.00 4.33 C ATOM 0 H MET A 109 -15.274 1.892 -18.484 1.00 11.31 H new ATOM 0 HA MET A 109 -17.443 0.532 -17.232 1.00 51.02 H new ATOM 0 HB2 MET A 109 -15.284 -0.270 -18.588 1.00 41.41 H new ATOM 0 HB3 MET A 109 -14.576 -0.339 -16.986 1.00 41.41 H new ATOM 0 HG2 MET A 109 -16.753 -1.704 -16.384 1.00 40.22 H new ATOM 0 HG3 MET A 109 -16.859 -1.944 -18.117 1.00 40.22 H new ATOM 0 HE1 MET A 109 -14.457 -4.282 -15.197 1.00 4.33 H new ATOM 0 HE2 MET A 109 -14.217 -2.531 -14.987 1.00 4.33 H new ATOM 0 HE3 MET A 109 -15.862 -3.210 -14.986 1.00 4.33 H new ATOM 1674 N TYR A 110 -15.100 1.832 -15.320 1.00 3.20 N ATOM 1675 CA TYR A 110 -14.767 2.183 -13.944 1.00 15.13 C ATOM 1676 C TYR A 110 -15.945 2.866 -13.257 1.00 52.21 C ATOM 1677 O TYR A 110 -16.273 2.558 -12.111 1.00 24.01 O ATOM 1678 CB TYR A 110 -13.542 3.099 -13.912 1.00 65.02 C ATOM 1679 CG TYR A 110 -12.907 3.212 -12.544 1.00 0.32 C ATOM 1680 CD1 TYR A 110 -12.509 4.444 -12.042 1.00 71.25 C ATOM 1681 CD2 TYR A 110 -12.704 2.086 -11.756 1.00 23.01 C ATOM 1682 CE1 TYR A 110 -11.927 4.552 -10.793 1.00 75.23 C ATOM 1683 CE2 TYR A 110 -12.125 2.185 -10.505 1.00 4.24 C ATOM 1684 CZ TYR A 110 -11.738 3.420 -10.029 1.00 11.13 C ATOM 1685 OH TYR A 110 -11.160 3.523 -8.785 1.00 30.42 O ATOM 0 H TYR A 110 -14.452 2.199 -16.017 1.00 3.20 H new ATOM 0 HA TYR A 110 -14.539 1.263 -13.405 1.00 15.13 H new ATOM 0 HB2 TYR A 110 -12.800 2.725 -14.618 1.00 65.02 H new ATOM 0 HB3 TYR A 110 -13.833 4.093 -14.252 1.00 65.02 H new ATOM 0 HD1 TYR A 110 -12.657 5.333 -12.638 1.00 71.25 H new ATOM 0 HD2 TYR A 110 -13.004 1.117 -12.127 1.00 23.01 H new ATOM 0 HE1 TYR A 110 -11.622 5.518 -10.418 1.00 75.23 H new ATOM 0 HE2 TYR A 110 -11.976 1.300 -9.904 1.00 4.24 H new ATOM 0 HH TYR A 110 -10.338 2.989 -8.761 1.00 30.42 H new ATOM 1695 N SER A 111 -16.578 3.796 -13.966 1.00 21.10 N ATOM 1696 CA SER A 111 -17.718 4.526 -13.424 1.00 24.50 C ATOM 1697 C SER A 111 -19.009 3.736 -13.614 1.00 53.30 C ATOM 1698 O SER A 111 -19.931 3.831 -12.805 1.00 0.11 O ATOM 1699 CB SER A 111 -17.840 5.894 -14.096 1.00 34.13 C ATOM 1700 OG SER A 111 -16.590 6.324 -14.609 1.00 53.35 O ATOM 0 H SER A 111 -16.321 4.061 -14.917 1.00 21.10 H new ATOM 0 HA SER A 111 -17.553 4.667 -12.356 1.00 24.50 H new ATOM 0 HB2 SER A 111 -18.570 5.842 -14.904 1.00 34.13 H new ATOM 0 HB3 SER A 111 -18.212 6.624 -13.377 1.00 34.13 H new ATOM 0 HG SER A 111 -16.426 7.251 -14.337 1.00 53.35 H new ATOM 1706 N GLN A 112 -19.066 2.957 -14.690 1.00 23.21 N ATOM 1707 CA GLN A 112 -20.244 2.152 -14.987 1.00 42.51 C ATOM 1708 C GLN A 112 -20.557 1.199 -13.838 1.00 3.13 C ATOM 1709 O GLN A 112 -21.716 0.869 -13.590 1.00 34.33 O ATOM 1710 CB GLN A 112 -20.033 1.360 -16.279 1.00 15.21 C ATOM 1711 CG GLN A 112 -21.167 0.398 -16.595 1.00 73.10 C ATOM 1712 CD GLN A 112 -20.878 -1.017 -16.135 1.00 61.11 C ATOM 1713 OE1 GLN A 112 -21.030 -1.342 -14.957 1.00 0.31 O ATOM 1714 NE2 GLN A 112 -20.458 -1.868 -17.064 1.00 15.31 N ATOM 0 H GLN A 112 -18.311 2.867 -15.369 1.00 23.21 H new ATOM 0 HA GLN A 112 -21.091 2.826 -15.116 1.00 42.51 H new ATOM 0 HB2 GLN A 112 -19.918 2.058 -17.108 1.00 15.21 H new ATOM 0 HB3 GLN A 112 -19.102 0.799 -16.203 1.00 15.21 H new ATOM 0 HG2 GLN A 112 -22.081 0.751 -16.118 1.00 73.10 H new ATOM 0 HG3 GLN A 112 -21.348 0.397 -17.670 1.00 73.10 H new ATOM 0 HE21 GLN A 112 -20.346 -1.556 -18.029 1.00 15.31 H new ATOM 0 HE22 GLN A 112 -20.247 -2.834 -16.813 1.00 15.31 H new ATOM 1723 N MET A 113 -19.514 0.759 -13.140 1.00 31.13 N ATOM 1724 CA MET A 113 -19.678 -0.155 -12.016 1.00 40.30 C ATOM 1725 C MET A 113 -19.980 0.609 -10.732 1.00 73.40 C ATOM 1726 O MET A 113 -20.554 0.062 -9.792 1.00 43.22 O ATOM 1727 CB MET A 113 -18.418 -1.005 -11.834 1.00 70.51 C ATOM 1728 CG MET A 113 -18.707 -2.446 -11.451 1.00 51.31 C ATOM 1729 SD MET A 113 -17.376 -3.189 -10.488 1.00 53.54 S ATOM 1730 CE MET A 113 -16.233 -3.648 -11.789 1.00 61.25 C ATOM 0 H MET A 113 -18.547 1.021 -13.333 1.00 31.13 H new ATOM 0 HA MET A 113 -20.521 -0.810 -12.234 1.00 40.30 H new ATOM 0 HB2 MET A 113 -17.844 -0.992 -12.761 1.00 70.51 H new ATOM 0 HB3 MET A 113 -17.792 -0.552 -11.065 1.00 70.51 H new ATOM 0 HG2 MET A 113 -19.632 -2.487 -10.876 1.00 51.31 H new ATOM 0 HG3 MET A 113 -18.867 -3.033 -12.355 1.00 51.31 H new ATOM 0 HE1 MET A 113 -15.354 -4.122 -11.351 1.00 61.25 H new ATOM 0 HE2 MET A 113 -16.719 -4.345 -12.471 1.00 61.25 H new ATOM 0 HE3 MET A 113 -15.929 -2.756 -12.337 1.00 61.25 H new ATOM 1740 N GLY A 114 -19.588 1.880 -10.699 1.00 12.33 N ATOM 1741 CA GLY A 114 -19.826 2.700 -9.524 1.00 3.35 C ATOM 1742 C GLY A 114 -18.563 2.937 -8.719 1.00 14.32 C ATOM 1743 O GLY A 114 -18.619 3.119 -7.502 1.00 41.32 O ATOM 0 H GLY A 114 -19.110 2.356 -11.464 1.00 12.33 H new ATOM 0 HA2 GLY A 114 -20.243 3.659 -9.832 1.00 3.35 H new ATOM 0 HA3 GLY A 114 -20.571 2.217 -8.892 1.00 3.35 H new ATOM 1747 N LEU A 115 -17.421 2.936 -9.398 1.00 53.01 N ATOM 1748 CA LEU A 115 -16.139 3.151 -8.738 1.00 31.32 C ATOM 1749 C LEU A 115 -15.673 4.593 -8.912 1.00 61.41 C ATOM 1750 O LEU A 115 -14.919 5.117 -8.090 1.00 11.34 O ATOM 1751 CB LEU A 115 -15.087 2.192 -9.297 1.00 12.04 C ATOM 1752 CG LEU A 115 -15.484 0.716 -9.348 1.00 34.15 C ATOM 1753 CD1 LEU A 115 -14.863 0.039 -10.561 1.00 55.04 C ATOM 1754 CD2 LEU A 115 -15.070 0.007 -8.068 1.00 23.22 C ATOM 0 H LEU A 115 -17.357 2.789 -10.405 1.00 53.01 H new ATOM 0 HA LEU A 115 -16.269 2.956 -7.674 1.00 31.32 H new ATOM 0 HB2 LEU A 115 -14.831 2.514 -10.306 1.00 12.04 H new ATOM 0 HB3 LEU A 115 -14.184 2.284 -8.694 1.00 12.04 H new ATOM 0 HG LEU A 115 -16.569 0.654 -9.438 1.00 34.15 H new ATOM 0 HD11 LEU A 115 -15.156 -1.011 -10.582 1.00 55.04 H new ATOM 0 HD12 LEU A 115 -15.211 0.531 -11.470 1.00 55.04 H new ATOM 0 HD13 LEU A 115 -13.777 0.112 -10.502 1.00 55.04 H new ATOM 0 HD21 LEU A 115 -15.361 -1.042 -8.123 1.00 23.22 H new ATOM 0 HD22 LEU A 115 -13.989 0.078 -7.946 1.00 23.22 H new ATOM 0 HD23 LEU A 115 -15.563 0.476 -7.216 1.00 23.22 H new ATOM 1766 N ASP A 116 -16.127 5.231 -9.986 1.00 64.35 N ATOM 1767 CA ASP A 116 -15.759 6.614 -10.266 1.00 21.14 C ATOM 1768 C ASP A 116 -16.946 7.547 -10.049 1.00 50.32 C ATOM 1769 O ASP A 116 -17.978 7.422 -10.709 1.00 51.12 O ATOM 1770 CB ASP A 116 -15.246 6.746 -11.701 1.00 74.12 C ATOM 1771 CG ASP A 116 -15.258 8.182 -12.189 1.00 21.15 C ATOM 1772 OD1 ASP A 116 -14.679 9.047 -11.500 1.00 34.11 O ATOM 1773 OD2 ASP A 116 -15.844 8.439 -13.261 1.00 4.51 O ATOM 0 H ASP A 116 -16.750 4.812 -10.676 1.00 64.35 H new ATOM 0 HA ASP A 116 -14.965 6.900 -9.576 1.00 21.14 H new ATOM 0 HB2 ASP A 116 -14.231 6.354 -11.759 1.00 74.12 H new ATOM 0 HB3 ASP A 116 -15.861 6.135 -12.362 1.00 74.12 H new ATOM 1778 N THR A 117 -16.794 8.483 -9.117 1.00 31.11 N ATOM 1779 CA THR A 117 -17.853 9.435 -8.810 1.00 35.14 C ATOM 1780 C THR A 117 -17.992 10.477 -9.914 1.00 10.12 C ATOM 1781 O THR A 117 -17.059 11.232 -10.190 1.00 43.24 O ATOM 1782 CB THR A 117 -17.594 10.153 -7.472 1.00 21.53 C ATOM 1783 OG1 THR A 117 -16.951 9.261 -6.554 1.00 31.22 O ATOM 1784 CG2 THR A 117 -18.895 10.660 -6.868 1.00 43.51 C ATOM 0 H THR A 117 -15.947 8.602 -8.562 1.00 31.11 H new ATOM 0 HA THR A 117 -18.778 8.864 -8.734 1.00 35.14 H new ATOM 0 HB THR A 117 -16.945 11.007 -7.663 1.00 21.53 H new ATOM 0 HG1 THR A 117 -16.207 9.724 -6.115 1.00 31.22 H new ATOM 0 HG21 THR A 117 -18.686 11.163 -5.924 1.00 43.51 H new ATOM 0 HG22 THR A 117 -19.367 11.361 -7.556 1.00 43.51 H new ATOM 0 HG23 THR A 117 -19.566 9.819 -6.690 1.00 43.51 H new ATOM 1792 N ARG A 118 -19.163 10.515 -10.542 1.00 42.42 N ATOM 1793 CA ARG A 118 -19.423 11.465 -11.618 1.00 41.15 C ATOM 1794 C ARG A 118 -20.565 12.407 -11.245 1.00 63.30 C ATOM 1795 O ARG A 118 -21.674 12.313 -11.768 1.00 54.13 O ATOM 1796 CB ARG A 118 -19.761 10.723 -12.911 1.00 13.41 C ATOM 1797 CG ARG A 118 -18.542 10.361 -13.744 1.00 72.04 C ATOM 1798 CD ARG A 118 -18.138 11.502 -14.664 1.00 12.33 C ATOM 1799 NE ARG A 118 -18.953 11.541 -15.876 1.00 20.34 N ATOM 1800 CZ ARG A 118 -18.660 12.289 -16.934 1.00 21.03 C ATOM 1801 NH1 ARG A 118 -17.577 13.054 -16.931 1.00 41.25 N ATOM 1802 NH2 ARG A 118 -19.451 12.272 -17.999 1.00 5.24 N ATOM 0 H ARG A 118 -19.947 9.899 -10.324 1.00 42.42 H new ATOM 0 HA ARG A 118 -18.521 12.057 -11.773 1.00 41.15 H new ATOM 0 HB2 ARG A 118 -20.306 9.811 -12.665 1.00 13.41 H new ATOM 0 HB3 ARG A 118 -20.429 11.341 -13.510 1.00 13.41 H new ATOM 0 HG2 ARG A 118 -17.710 10.112 -13.085 1.00 72.04 H new ATOM 0 HG3 ARG A 118 -18.756 9.472 -14.337 1.00 72.04 H new ATOM 0 HD2 ARG A 118 -18.234 12.448 -14.132 1.00 12.33 H new ATOM 0 HD3 ARG A 118 -17.088 11.394 -14.936 1.00 12.33 H new ATOM 0 HE ARG A 118 -19.792 10.963 -15.912 1.00 20.34 H new ATOM 0 HH11 ARG A 118 -16.966 13.069 -16.115 1.00 41.25 H new ATOM 0 HH12 ARG A 118 -17.355 13.627 -17.745 1.00 41.25 H new ATOM 0 HH21 ARG A 118 -20.285 11.684 -18.006 1.00 5.24 H new ATOM 0 HH22 ARG A 118 -19.225 12.847 -18.811 1.00 5.24 H new ATOM 1816 N PRO A 119 -20.286 13.337 -10.320 1.00 74.40 N ATOM 1817 CA PRO A 119 -21.276 14.315 -9.857 1.00 20.24 C ATOM 1818 C PRO A 119 -21.620 15.343 -10.930 1.00 23.42 C ATOM 1819 O PRO A 119 -22.342 16.305 -10.671 1.00 53.40 O ATOM 1820 CB PRO A 119 -20.580 14.990 -8.672 1.00 11.51 C ATOM 1821 CG PRO A 119 -19.125 14.824 -8.942 1.00 3.35 C ATOM 1822 CD PRO A 119 -18.983 13.507 -9.655 1.00 70.44 C ATOM 0 HA PRO A 119 -22.225 13.845 -9.600 1.00 20.24 H new ATOM 0 HB2 PRO A 119 -20.852 16.043 -8.601 1.00 11.51 H new ATOM 0 HB3 PRO A 119 -20.863 14.523 -7.728 1.00 11.51 H new ATOM 0 HG2 PRO A 119 -18.746 15.642 -9.555 1.00 3.35 H new ATOM 0 HG3 PRO A 119 -18.553 14.829 -8.014 1.00 3.35 H new ATOM 0 HD2 PRO A 119 -18.164 13.526 -10.374 1.00 70.44 H new ATOM 0 HD3 PRO A 119 -18.778 12.693 -8.959 1.00 70.44 H new TER 1830 PRO A 119