USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 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 70 LYS NZ :NH3+ -108:sc= -0.868 (180deg=-3.97!) USER MOD Set 1.2: A 94 TYR OH : rot 110:sc= -3.96! USER MOD Set 2.1: A 82 THR OG1 : rot 91:sc= -1.33 USER MOD Set 2.2: A 84 HIS : no HD1:sc= -0.883 K(o=-2.2,f=-4.8) USER MOD Set 3.1: A 35 ASN : amide:sc= -0.149 K(o=-1.9,f=-4.2!) USER MOD Set 3.2: A 60 MET CE :methyl 178:sc= -1.73 (180deg=-1.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.539 (180deg=-1.17) USER MOD Single : A 2 GLN : amide:sc=-0.00937 K(o=-0.0094,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -176:sc= -0.573 USER MOD Single : A 30 CYS SG : rot 40:sc= -0.0586 USER MOD Single : A 31 THR OG1 : rot 120:sc= 1.26 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.19) USER MOD Single : A 45 SER OG : rot 80:sc= 0.127 USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= -0.294 (180deg=-0.815) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 53 SER OG : rot 2:sc= 0.395! USER MOD Single : A 57 MET CE :methyl 149:sc=-0.00931 (180deg=-0.621) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -0.025 (180deg=-1.02) USER MOD Single : A 68 GLN :FLIP amide:sc= -5.78! C(o=-7.7!,f=-5.8!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-3) USER MOD Single : A 75 MET CE :methyl -167:sc= -0.0018 (180deg=-0.216) USER MOD Single : A 81 MET CE :methyl -127:sc= -4.23! (180deg=-9.01!) USER MOD Single : A 85 SER OG : rot -48:sc= 0.421 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2! C(o=-2!,f=-4.5!) USER MOD Single : A 96 GLN : amide:sc=-0.00896 X(o=-0.009,f=-0.15) USER MOD Single : A 101 TYR OH : rot 30:sc= -2.78! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 122 TYR OH : rot -82:sc= 0.568 USER MOD Single : A 123 GLN : amide:sc= -0.0476 K(o=-0.048,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.281 -0.042 0.725 1.00 13.55 N ATOM 2 CA MET A 1 1.731 -0.027 -0.625 1.00 61.33 C ATOM 3 C MET A 1 1.740 -1.427 -1.231 1.00 21.33 C ATOM 4 O MET A 1 1.796 -1.585 -2.450 1.00 4.11 O ATOM 5 CB MET A 1 2.528 0.930 -1.513 1.00 44.12 C ATOM 6 CG MET A 1 3.916 0.419 -1.866 1.00 74.43 C ATOM 7 SD MET A 1 5.119 1.748 -2.056 1.00 13.13 S ATOM 8 CE MET A 1 5.978 1.653 -0.487 1.00 41.11 C ATOM 0 H1 MET A 1 2.611 0.912 0.976 1.00 13.55 H new ATOM 0 H2 MET A 1 1.545 -0.342 1.396 1.00 13.55 H new ATOM 0 H3 MET A 1 3.080 -0.707 0.767 1.00 13.55 H new ATOM 0 HA MET A 1 0.699 0.318 -0.566 1.00 61.33 H new ATOM 0 HB2 MET A 1 1.971 1.108 -2.433 1.00 44.12 H new ATOM 0 HB3 MET A 1 2.622 1.890 -1.006 1.00 44.12 H new ATOM 0 HG2 MET A 1 4.256 -0.265 -1.088 1.00 74.43 H new ATOM 0 HG3 MET A 1 3.863 -0.153 -2.792 1.00 74.43 H new ATOM 0 HE1 MET A 1 6.756 2.416 -0.451 1.00 41.11 H new ATOM 0 HE2 MET A 1 5.271 1.818 0.326 1.00 41.11 H new ATOM 0 HE3 MET A 1 6.431 0.667 -0.379 1.00 41.11 H new ATOM 18 N GLN A 2 1.685 -2.439 -0.371 1.00 34.41 N ATOM 19 CA GLN A 2 1.688 -3.826 -0.823 1.00 15.24 C ATOM 20 C GLN A 2 2.929 -4.124 -1.657 1.00 10.12 C ATOM 21 O GLN A 2 2.865 -4.860 -2.641 1.00 71.33 O ATOM 22 CB GLN A 2 0.428 -4.121 -1.638 1.00 35.30 C ATOM 23 CG GLN A 2 -0.852 -3.635 -0.978 1.00 14.13 C ATOM 24 CD GLN A 2 -2.064 -3.779 -1.877 1.00 33.20 C ATOM 25 OE1 GLN A 2 -1.936 -3.901 -3.096 1.00 15.14 O ATOM 26 NE2 GLN A 2 -3.250 -3.767 -1.279 1.00 51.55 N ATOM 0 H GLN A 2 1.638 -2.325 0.642 1.00 34.41 H new ATOM 0 HA GLN A 2 1.702 -4.469 0.057 1.00 15.24 H new ATOM 0 HB2 GLN A 2 0.522 -3.653 -2.618 1.00 35.30 H new ATOM 0 HB3 GLN A 2 0.356 -5.196 -1.803 1.00 35.30 H new ATOM 0 HG2 GLN A 2 -1.018 -4.196 -0.059 1.00 14.13 H new ATOM 0 HG3 GLN A 2 -0.736 -2.589 -0.696 1.00 14.13 H new ATOM 0 HE21 GLN A 2 -3.309 -3.664 -0.266 1.00 51.55 H new ATOM 0 HE22 GLN A 2 -4.101 -3.861 -1.833 1.00 51.55 H new ATOM 35 N ARG A 3 4.057 -3.547 -1.257 1.00 3.13 N ATOM 36 CA ARG A 3 5.313 -3.750 -1.969 1.00 3.34 C ATOM 37 C ARG A 3 5.792 -5.191 -1.826 1.00 62.53 C ATOM 38 O ARG A 3 6.672 -5.640 -2.560 1.00 52.45 O ATOM 39 CB ARG A 3 6.383 -2.791 -1.442 1.00 61.30 C ATOM 40 CG ARG A 3 7.073 -3.283 -0.180 1.00 11.42 C ATOM 41 CD ARG A 3 6.100 -3.379 0.985 1.00 2.52 C ATOM 42 NE ARG A 3 5.497 -2.087 1.303 1.00 44.23 N ATOM 43 CZ ARG A 3 4.956 -1.798 2.481 1.00 23.10 C ATOM 44 NH1 ARG A 3 4.943 -2.705 3.448 1.00 1.22 N ATOM 45 NH2 ARG A 3 4.427 -0.600 2.694 1.00 43.12 N ATOM 0 H ARG A 3 4.127 -2.935 -0.444 1.00 3.13 H new ATOM 0 HA ARG A 3 5.140 -3.546 -3.026 1.00 3.34 H new ATOM 0 HB2 ARG A 3 7.132 -2.634 -2.218 1.00 61.30 H new ATOM 0 HB3 ARG A 3 5.924 -1.823 -1.241 1.00 61.30 H new ATOM 0 HG2 ARG A 3 7.519 -4.260 -0.365 1.00 11.42 H new ATOM 0 HG3 ARG A 3 7.887 -2.606 0.079 1.00 11.42 H new ATOM 0 HD2 ARG A 3 5.315 -4.096 0.743 1.00 2.52 H new ATOM 0 HD3 ARG A 3 6.622 -3.761 1.862 1.00 2.52 H new ATOM 0 HE ARG A 3 5.491 -1.367 0.580 1.00 44.23 H new ATOM 0 HH11 ARG A 3 5.349 -3.627 3.288 1.00 1.22 H new ATOM 0 HH12 ARG A 3 4.527 -2.481 4.352 1.00 1.22 H new ATOM 0 HH21 ARG A 3 4.435 0.100 1.953 1.00 43.12 H new ATOM 0 HH22 ARG A 3 4.012 -0.379 3.599 1.00 43.12 H new ATOM 59 N GLY A 4 5.207 -5.913 -0.875 1.00 72.22 N ATOM 60 CA GLY A 4 5.587 -7.296 -0.653 1.00 41.03 C ATOM 61 C GLY A 4 4.406 -8.169 -0.279 1.00 71.34 C ATOM 62 O GLY A 4 3.836 -8.023 0.802 1.00 35.41 O ATOM 0 H GLY A 4 4.476 -5.565 -0.254 1.00 72.22 H new ATOM 0 HA2 GLY A 4 6.055 -7.690 -1.555 1.00 41.03 H new ATOM 0 HA3 GLY A 4 6.334 -7.342 0.140 1.00 41.03 H new ATOM 66 N ILE A 5 4.037 -9.078 -1.176 1.00 11.11 N ATOM 67 CA ILE A 5 2.915 -9.977 -0.934 1.00 64.22 C ATOM 68 C ILE A 5 3.338 -11.163 -0.074 1.00 35.41 C ATOM 69 O ILE A 5 4.443 -11.686 -0.218 1.00 33.34 O ATOM 70 CB ILE A 5 2.319 -10.501 -2.254 1.00 43.01 C ATOM 71 CG1 ILE A 5 1.658 -9.359 -3.029 1.00 33.42 C ATOM 72 CG2 ILE A 5 1.317 -11.612 -1.979 1.00 1.14 C ATOM 73 CD1 ILE A 5 1.482 -9.652 -4.502 1.00 53.45 C ATOM 0 H ILE A 5 4.498 -9.211 -2.076 1.00 11.11 H new ATOM 0 HA ILE A 5 2.156 -9.400 -0.406 1.00 64.22 H new ATOM 0 HB ILE A 5 3.126 -10.909 -2.863 1.00 43.01 H new ATOM 0 HG12 ILE A 5 0.683 -9.149 -2.589 1.00 33.42 H new ATOM 0 HG13 ILE A 5 2.260 -8.457 -2.915 1.00 33.42 H new ATOM 0 HG21 ILE A 5 0.905 -11.972 -2.922 1.00 1.14 H new ATOM 0 HG22 ILE A 5 1.816 -12.433 -1.464 1.00 1.14 H new ATOM 0 HG23 ILE A 5 0.511 -11.228 -1.353 1.00 1.14 H new ATOM 0 HD11 ILE A 5 1.008 -8.800 -4.988 1.00 53.45 H new ATOM 0 HD12 ILE A 5 2.456 -9.833 -4.956 1.00 53.45 H new ATOM 0 HD13 ILE A 5 0.855 -10.535 -4.625 1.00 53.45 H new ATOM 85 N VAL A 6 2.449 -11.585 0.820 1.00 33.11 N ATOM 86 CA VAL A 6 2.727 -12.712 1.702 1.00 23.02 C ATOM 87 C VAL A 6 1.604 -13.742 1.650 1.00 42.42 C ATOM 88 O VAL A 6 0.433 -13.407 1.827 1.00 10.13 O ATOM 89 CB VAL A 6 2.918 -12.251 3.159 1.00 2.52 C ATOM 90 CG1 VAL A 6 3.506 -13.372 4.002 1.00 30.01 C ATOM 91 CG2 VAL A 6 3.801 -11.013 3.214 1.00 14.52 C ATOM 0 H VAL A 6 1.530 -11.163 0.952 1.00 33.11 H new ATOM 0 HA VAL A 6 3.651 -13.169 1.349 1.00 23.02 H new ATOM 0 HB VAL A 6 1.942 -11.993 3.571 1.00 2.52 H new ATOM 0 HG11 VAL A 6 3.634 -13.027 5.028 1.00 30.01 H new ATOM 0 HG12 VAL A 6 2.833 -14.229 3.988 1.00 30.01 H new ATOM 0 HG13 VAL A 6 4.474 -13.664 3.595 1.00 30.01 H new ATOM 0 HG21 VAL A 6 3.926 -10.701 4.251 1.00 14.52 H new ATOM 0 HG22 VAL A 6 4.776 -11.242 2.784 1.00 14.52 H new ATOM 0 HG23 VAL A 6 3.335 -10.208 2.646 1.00 14.52 H new ATOM 101 N TRP A 7 1.969 -14.995 1.406 1.00 43.14 N ATOM 102 CA TRP A 7 0.992 -16.075 1.330 1.00 13.33 C ATOM 103 C TRP A 7 1.140 -17.027 2.512 1.00 42.21 C ATOM 104 O TRP A 7 2.150 -17.006 3.215 1.00 2.14 O ATOM 105 CB TRP A 7 1.150 -16.843 0.017 1.00 22.13 C ATOM 106 CG TRP A 7 0.793 -16.033 -1.192 1.00 2.30 C ATOM 107 CD1 TRP A 7 0.317 -14.753 -1.210 1.00 3.35 C ATOM 108 CD2 TRP A 7 0.882 -16.449 -2.559 1.00 40.41 C ATOM 109 NE1 TRP A 7 0.105 -14.348 -2.505 1.00 52.13 N ATOM 110 CE2 TRP A 7 0.444 -15.370 -3.352 1.00 44.30 C ATOM 111 CE3 TRP A 7 1.290 -17.626 -3.191 1.00 25.33 C ATOM 112 CZ2 TRP A 7 0.404 -15.436 -4.742 1.00 74.51 C ATOM 113 CZ3 TRP A 7 1.249 -17.691 -4.570 1.00 60.14 C ATOM 114 CH2 TRP A 7 0.809 -16.602 -5.334 1.00 41.30 C ATOM 0 H TRP A 7 2.934 -15.289 1.257 1.00 43.14 H new ATOM 0 HA TRP A 7 -0.004 -15.633 1.366 1.00 13.33 H new ATOM 0 HB2 TRP A 7 2.181 -17.184 -0.074 1.00 22.13 H new ATOM 0 HB3 TRP A 7 0.522 -17.733 0.047 1.00 22.13 H new ATOM 0 HD1 TRP A 7 0.134 -14.148 -0.334 1.00 3.35 H new ATOM 0 HE1 TRP A 7 -0.248 -13.434 -2.790 1.00 52.13 H new ATOM 0 HE3 TRP A 7 1.632 -18.471 -2.611 1.00 25.33 H new ATOM 0 HZ2 TRP A 7 0.066 -14.597 -5.332 1.00 74.51 H new ATOM 0 HZ3 TRP A 7 1.562 -18.597 -5.068 1.00 60.14 H new ATOM 0 HH2 TRP A 7 0.789 -16.684 -6.411 1.00 41.30 H new ATOM 125 N VAL A 8 0.128 -17.861 2.725 1.00 72.52 N ATOM 126 CA VAL A 8 0.147 -18.823 3.821 1.00 11.40 C ATOM 127 C VAL A 8 -0.352 -20.189 3.363 1.00 3.51 C ATOM 128 O VAL A 8 -1.219 -20.286 2.495 1.00 13.20 O ATOM 129 CB VAL A 8 -0.716 -18.343 5.003 1.00 12.11 C ATOM 130 CG1 VAL A 8 -0.664 -19.347 6.145 1.00 45.42 C ATOM 131 CG2 VAL A 8 -0.263 -16.968 5.470 1.00 50.23 C ATOM 0 H VAL A 8 -0.716 -17.890 2.153 1.00 72.52 H new ATOM 0 HA VAL A 8 1.183 -18.910 4.148 1.00 11.40 H new ATOM 0 HB VAL A 8 -1.750 -18.265 4.667 1.00 12.11 H new ATOM 0 HG11 VAL A 8 -1.280 -18.991 6.971 1.00 45.42 H new ATOM 0 HG12 VAL A 8 -1.041 -20.310 5.800 1.00 45.42 H new ATOM 0 HG13 VAL A 8 0.366 -19.461 6.483 1.00 45.42 H new ATOM 0 HG21 VAL A 8 -0.884 -16.645 6.306 1.00 50.23 H new ATOM 0 HG22 VAL A 8 0.778 -17.017 5.789 1.00 50.23 H new ATOM 0 HG23 VAL A 8 -0.358 -16.256 4.650 1.00 50.23 H new ATOM 141 N VAL A 9 0.202 -21.243 3.953 1.00 22.01 N ATOM 142 CA VAL A 9 -0.187 -22.605 3.607 1.00 12.23 C ATOM 143 C VAL A 9 -0.287 -23.480 4.851 1.00 32.52 C ATOM 144 O VAL A 9 0.552 -24.352 5.079 1.00 43.22 O ATOM 145 CB VAL A 9 0.812 -23.242 2.624 1.00 44.34 C ATOM 146 CG1 VAL A 9 2.216 -23.236 3.210 1.00 50.13 C ATOM 147 CG2 VAL A 9 0.380 -24.656 2.267 1.00 65.11 C ATOM 0 H VAL A 9 0.922 -21.180 4.673 1.00 22.01 H new ATOM 0 HA VAL A 9 -1.165 -22.543 3.130 1.00 12.23 H new ATOM 0 HB VAL A 9 0.824 -22.649 1.710 1.00 44.34 H new ATOM 0 HG11 VAL A 9 2.908 -23.690 2.501 1.00 50.13 H new ATOM 0 HG12 VAL A 9 2.523 -22.209 3.409 1.00 50.13 H new ATOM 0 HG13 VAL A 9 2.225 -23.804 4.140 1.00 50.13 H new ATOM 0 HG21 VAL A 9 1.098 -25.091 1.571 1.00 65.11 H new ATOM 0 HG22 VAL A 9 0.338 -25.263 3.171 1.00 65.11 H new ATOM 0 HG23 VAL A 9 -0.605 -24.629 1.802 1.00 65.11 H new ATOM 157 N ASP A 10 -1.319 -23.244 5.653 1.00 14.52 N ATOM 158 CA ASP A 10 -1.531 -24.012 6.874 1.00 0.15 C ATOM 159 C ASP A 10 -2.803 -24.848 6.777 1.00 61.53 C ATOM 160 O ASP A 10 -3.589 -24.695 5.841 1.00 4.54 O ATOM 161 CB ASP A 10 -1.612 -23.078 8.083 1.00 41.54 C ATOM 162 CG ASP A 10 -2.668 -22.003 7.914 1.00 44.34 C ATOM 163 OD1 ASP A 10 -3.841 -22.356 7.674 1.00 62.41 O ATOM 164 OD2 ASP A 10 -2.320 -20.808 8.020 1.00 54.50 O ATOM 0 H ASP A 10 -2.023 -22.526 5.479 1.00 14.52 H new ATOM 0 HA ASP A 10 -0.683 -24.685 7.001 1.00 0.15 H new ATOM 0 HB2 ASP A 10 -1.832 -23.663 8.976 1.00 41.54 H new ATOM 0 HB3 ASP A 10 -0.641 -22.608 8.241 1.00 41.54 H new ATOM 169 N ASP A 11 -2.998 -25.734 7.747 1.00 32.22 N ATOM 170 CA ASP A 11 -4.175 -26.596 7.771 1.00 44.32 C ATOM 171 C ASP A 11 -5.109 -26.209 8.913 1.00 3.31 C ATOM 172 O ASP A 11 -5.927 -27.013 9.358 1.00 34.24 O ATOM 173 CB ASP A 11 -3.758 -28.061 7.910 1.00 3.43 C ATOM 174 CG ASP A 11 -4.704 -29.003 7.192 1.00 1.33 C ATOM 175 OD1 ASP A 11 -5.795 -28.552 6.785 1.00 12.21 O ATOM 176 OD2 ASP A 11 -4.353 -30.191 7.037 1.00 42.22 O ATOM 0 H ASP A 11 -2.356 -25.875 8.527 1.00 32.22 H new ATOM 0 HA ASP A 11 -4.709 -26.466 6.830 1.00 44.32 H new ATOM 0 HB2 ASP A 11 -2.751 -28.188 7.512 1.00 3.43 H new ATOM 0 HB3 ASP A 11 -3.719 -28.326 8.967 1.00 3.43 H new ATOM 181 N ASP A 12 -4.979 -24.973 9.383 1.00 33.14 N ATOM 182 CA ASP A 12 -5.812 -24.479 10.474 1.00 23.12 C ATOM 183 C ASP A 12 -6.350 -23.087 10.159 1.00 11.14 C ATOM 184 O ASP A 12 -5.707 -22.306 9.459 1.00 42.34 O ATOM 185 CB ASP A 12 -5.014 -24.448 11.779 1.00 73.10 C ATOM 186 CG ASP A 12 -5.334 -25.624 12.681 1.00 64.33 C ATOM 187 OD1 ASP A 12 -4.777 -26.718 12.449 1.00 73.31 O ATOM 188 OD2 ASP A 12 -6.139 -25.451 13.619 1.00 52.52 O ATOM 0 H ASP A 12 -4.305 -24.295 9.026 1.00 33.14 H new ATOM 0 HA ASP A 12 -6.657 -25.158 10.590 1.00 23.12 H new ATOM 0 HB2 ASP A 12 -3.948 -24.449 11.550 1.00 73.10 H new ATOM 0 HB3 ASP A 12 -5.225 -23.519 12.309 1.00 73.10 H new ATOM 193 N SER A 13 -7.534 -22.784 10.681 1.00 14.13 N ATOM 194 CA SER A 13 -8.162 -21.488 10.452 1.00 42.31 C ATOM 195 C SER A 13 -7.499 -20.406 11.299 1.00 12.14 C ATOM 196 O SER A 13 -7.122 -19.349 10.793 1.00 21.30 O ATOM 197 CB SER A 13 -9.656 -21.557 10.771 1.00 75.33 C ATOM 198 OG SER A 13 -10.420 -20.888 9.783 1.00 54.33 O ATOM 0 H SER A 13 -8.078 -23.419 11.266 1.00 14.13 H new ATOM 0 HA SER A 13 -8.034 -21.231 9.400 1.00 42.31 H new ATOM 0 HB2 SER A 13 -9.970 -22.599 10.834 1.00 75.33 H new ATOM 0 HB3 SER A 13 -9.844 -21.108 11.746 1.00 75.33 H new ATOM 0 HG SER A 13 -11.372 -20.948 10.009 1.00 54.33 H new ATOM 204 N SER A 14 -7.361 -20.678 12.593 1.00 34.21 N ATOM 205 CA SER A 14 -6.748 -19.728 13.513 1.00 12.53 C ATOM 206 C SER A 14 -5.276 -19.514 13.173 1.00 74.22 C ATOM 207 O SER A 14 -4.675 -18.515 13.568 1.00 13.21 O ATOM 208 CB SER A 14 -6.884 -20.221 14.955 1.00 24.10 C ATOM 209 OG SER A 14 -5.659 -20.755 15.428 1.00 34.42 O ATOM 0 H SER A 14 -7.666 -21.549 13.028 1.00 34.21 H new ATOM 0 HA SER A 14 -7.268 -18.775 13.412 1.00 12.53 H new ATOM 0 HB2 SER A 14 -7.197 -19.397 15.596 1.00 24.10 H new ATOM 0 HB3 SER A 14 -7.662 -20.982 15.011 1.00 24.10 H new ATOM 0 HG SER A 14 -5.771 -21.062 16.352 1.00 34.42 H new ATOM 215 N ILE A 15 -4.703 -20.460 12.437 1.00 24.54 N ATOM 216 CA ILE A 15 -3.302 -20.376 12.043 1.00 71.44 C ATOM 217 C ILE A 15 -3.123 -19.450 10.845 1.00 73.15 C ATOM 218 O ILE A 15 -2.130 -18.729 10.747 1.00 31.21 O ATOM 219 CB ILE A 15 -2.731 -21.764 11.694 1.00 10.33 C ATOM 220 CG1 ILE A 15 -2.685 -22.648 12.942 1.00 71.31 C ATOM 221 CG2 ILE A 15 -1.344 -21.628 11.083 1.00 13.55 C ATOM 222 CD1 ILE A 15 -1.823 -22.086 14.050 1.00 45.21 C ATOM 0 H ILE A 15 -5.187 -21.293 12.102 1.00 24.54 H new ATOM 0 HA ILE A 15 -2.758 -19.972 12.897 1.00 71.44 H new ATOM 0 HB ILE A 15 -3.385 -22.236 10.961 1.00 10.33 H new ATOM 0 HG12 ILE A 15 -3.699 -22.786 13.317 1.00 71.31 H new ATOM 0 HG13 ILE A 15 -2.310 -23.633 12.666 1.00 71.31 H new ATOM 0 HG21 ILE A 15 -0.954 -22.617 10.842 1.00 13.55 H new ATOM 0 HG22 ILE A 15 -1.404 -21.030 10.174 1.00 13.55 H new ATOM 0 HG23 ILE A 15 -0.679 -21.140 11.795 1.00 13.55 H new ATOM 0 HD11 ILE A 15 -1.838 -22.765 14.902 1.00 45.21 H new ATOM 0 HD12 ILE A 15 -0.799 -21.974 13.693 1.00 45.21 H new ATOM 0 HD13 ILE A 15 -2.210 -21.114 14.354 1.00 45.21 H new ATOM 234 N ARG A 16 -4.093 -19.474 9.936 1.00 44.44 N ATOM 235 CA ARG A 16 -4.043 -18.635 8.744 1.00 62.32 C ATOM 236 C ARG A 16 -4.528 -17.222 9.052 1.00 32.05 C ATOM 237 O ARG A 16 -3.982 -16.243 8.544 1.00 11.11 O ATOM 238 CB ARG A 16 -4.894 -19.246 7.629 1.00 63.12 C ATOM 239 CG ARG A 16 -6.339 -19.492 8.031 1.00 41.44 C ATOM 240 CD ARG A 16 -7.157 -20.031 6.867 1.00 3.53 C ATOM 241 NE ARG A 16 -8.426 -19.324 6.717 1.00 32.41 N ATOM 242 CZ ARG A 16 -9.262 -19.522 5.704 1.00 60.52 C ATOM 243 NH1 ARG A 16 -8.964 -20.401 4.757 1.00 72.14 N ATOM 244 NH2 ARG A 16 -10.399 -18.841 5.637 1.00 63.30 N ATOM 0 H ARG A 16 -4.922 -20.065 10.002 1.00 44.44 H new ATOM 0 HA ARG A 16 -3.006 -18.580 8.413 1.00 62.32 H new ATOM 0 HB2 ARG A 16 -4.874 -18.583 6.764 1.00 63.12 H new ATOM 0 HB3 ARG A 16 -4.447 -20.190 7.318 1.00 63.12 H new ATOM 0 HG2 ARG A 16 -6.372 -20.200 8.859 1.00 41.44 H new ATOM 0 HG3 ARG A 16 -6.782 -18.562 8.389 1.00 41.44 H new ATOM 0 HD2 ARG A 16 -6.581 -19.941 5.946 1.00 3.53 H new ATOM 0 HD3 ARG A 16 -7.349 -21.093 7.020 1.00 3.53 H new ATOM 0 HE ARG A 16 -8.684 -18.641 7.429 1.00 32.41 H new ATOM 0 HH11 ARG A 16 -8.091 -20.927 4.806 1.00 72.14 H new ATOM 0 HH12 ARG A 16 -9.608 -20.551 3.980 1.00 72.14 H new ATOM 0 HH21 ARG A 16 -10.632 -18.164 6.364 1.00 63.30 H new ATOM 0 HH22 ARG A 16 -11.040 -18.994 4.859 1.00 63.30 H new ATOM 258 N TRP A 17 -5.556 -17.125 9.887 1.00 14.42 N ATOM 259 CA TRP A 17 -6.116 -15.831 10.263 1.00 23.01 C ATOM 260 C TRP A 17 -5.025 -14.892 10.767 1.00 31.20 C ATOM 261 O TRP A 17 -4.849 -13.792 10.244 1.00 14.30 O ATOM 262 CB TRP A 17 -7.189 -16.009 11.338 1.00 72.31 C ATOM 263 CG TRP A 17 -7.520 -14.740 12.063 1.00 33.10 C ATOM 264 CD1 TRP A 17 -8.311 -13.721 11.613 1.00 61.50 C ATOM 265 CD2 TRP A 17 -7.068 -14.354 13.366 1.00 71.35 C ATOM 266 NE1 TRP A 17 -8.377 -12.726 12.557 1.00 13.44 N ATOM 267 CE2 TRP A 17 -7.624 -13.090 13.642 1.00 13.10 C ATOM 268 CE3 TRP A 17 -6.249 -14.954 14.326 1.00 74.41 C ATOM 269 CZ2 TRP A 17 -7.386 -12.417 14.838 1.00 62.54 C ATOM 270 CZ3 TRP A 17 -6.013 -14.286 15.512 1.00 54.52 C ATOM 271 CH2 TRP A 17 -6.580 -13.028 15.760 1.00 73.41 C ATOM 0 H TRP A 17 -6.019 -17.926 10.317 1.00 14.42 H new ATOM 0 HA TRP A 17 -6.570 -15.388 9.377 1.00 23.01 H new ATOM 0 HB2 TRP A 17 -8.095 -16.402 10.876 1.00 72.31 H new ATOM 0 HB3 TRP A 17 -6.851 -16.753 12.059 1.00 72.31 H new ATOM 0 HD1 TRP A 17 -8.811 -13.701 10.656 1.00 61.50 H new ATOM 0 HE1 TRP A 17 -8.902 -11.856 12.465 1.00 13.44 H new ATOM 0 HE3 TRP A 17 -5.808 -15.923 14.144 1.00 74.41 H new ATOM 0 HZ2 TRP A 17 -7.822 -11.448 15.031 1.00 62.54 H new ATOM 0 HZ3 TRP A 17 -5.381 -14.740 16.261 1.00 54.52 H new ATOM 0 HH2 TRP A 17 -6.377 -12.531 16.697 1.00 73.41 H new ATOM 282 N VAL A 18 -4.294 -15.334 11.786 1.00 53.31 N ATOM 283 CA VAL A 18 -3.220 -14.533 12.359 1.00 5.34 C ATOM 284 C VAL A 18 -2.294 -13.996 11.273 1.00 33.01 C ATOM 285 O VAL A 18 -1.985 -12.804 11.239 1.00 62.34 O ATOM 286 CB VAL A 18 -2.389 -15.348 13.369 1.00 54.31 C ATOM 287 CG1 VAL A 18 -3.122 -15.457 14.698 1.00 63.44 C ATOM 288 CG2 VAL A 18 -2.075 -16.727 12.809 1.00 44.41 C ATOM 0 H VAL A 18 -4.427 -16.242 12.231 1.00 53.31 H new ATOM 0 HA VAL A 18 -3.691 -13.697 12.877 1.00 5.34 H new ATOM 0 HB VAL A 18 -1.447 -14.828 13.543 1.00 54.31 H new ATOM 0 HG11 VAL A 18 -2.520 -16.036 15.399 1.00 63.44 H new ATOM 0 HG12 VAL A 18 -3.291 -14.459 15.103 1.00 63.44 H new ATOM 0 HG13 VAL A 18 -4.080 -15.954 14.545 1.00 63.44 H new ATOM 0 HG21 VAL A 18 -1.488 -17.289 13.535 1.00 44.41 H new ATOM 0 HG22 VAL A 18 -3.005 -17.258 12.606 1.00 44.41 H new ATOM 0 HG23 VAL A 18 -1.507 -16.624 11.885 1.00 44.41 H new ATOM 298 N LEU A 19 -1.856 -14.883 10.386 1.00 5.45 N ATOM 299 CA LEU A 19 -0.965 -14.499 9.297 1.00 50.53 C ATOM 300 C LEU A 19 -1.695 -13.629 8.278 1.00 60.54 C ATOM 301 O LEU A 19 -1.070 -12.891 7.518 1.00 50.34 O ATOM 302 CB LEU A 19 -0.400 -15.743 8.611 1.00 61.54 C ATOM 303 CG LEU A 19 0.791 -16.408 9.302 1.00 61.34 C ATOM 304 CD1 LEU A 19 1.016 -17.807 8.749 1.00 31.32 C ATOM 305 CD2 LEU A 19 2.044 -15.561 9.138 1.00 41.52 C ATOM 0 H LEU A 19 -2.103 -15.872 10.400 1.00 5.45 H new ATOM 0 HA LEU A 19 -0.143 -13.920 9.719 1.00 50.53 H new ATOM 0 HB2 LEU A 19 -1.199 -16.479 8.521 1.00 61.54 H new ATOM 0 HB3 LEU A 19 -0.102 -15.471 7.598 1.00 61.54 H new ATOM 0 HG LEU A 19 0.569 -16.491 10.366 1.00 61.34 H new ATOM 0 HD11 LEU A 19 1.868 -18.265 9.253 1.00 31.32 H new ATOM 0 HD12 LEU A 19 0.126 -18.413 8.918 1.00 31.32 H new ATOM 0 HD13 LEU A 19 1.216 -17.748 7.679 1.00 31.32 H new ATOM 0 HD21 LEU A 19 2.881 -16.050 9.636 1.00 41.52 H new ATOM 0 HD22 LEU A 19 2.269 -15.446 8.078 1.00 41.52 H new ATOM 0 HD23 LEU A 19 1.880 -14.579 9.583 1.00 41.52 H new ATOM 317 N GLU A 20 -3.021 -13.722 8.270 1.00 71.51 N ATOM 318 CA GLU A 20 -3.835 -12.943 7.345 1.00 75.21 C ATOM 319 C GLU A 20 -4.040 -11.523 7.864 1.00 15.02 C ATOM 320 O GLU A 20 -3.606 -10.554 7.241 1.00 72.20 O ATOM 321 CB GLU A 20 -5.191 -13.620 7.129 1.00 1.24 C ATOM 322 CG GLU A 20 -5.591 -13.729 5.668 1.00 61.34 C ATOM 323 CD GLU A 20 -7.049 -14.104 5.488 1.00 31.54 C ATOM 324 OE1 GLU A 20 -7.560 -14.903 6.302 1.00 10.50 O ATOM 325 OE2 GLU A 20 -7.679 -13.601 4.535 1.00 11.22 O ATOM 0 H GLU A 20 -3.554 -14.329 8.893 1.00 71.51 H new ATOM 0 HA GLU A 20 -3.307 -12.891 6.393 1.00 75.21 H new ATOM 0 HB2 GLU A 20 -5.162 -14.619 7.565 1.00 1.24 H new ATOM 0 HB3 GLU A 20 -5.957 -13.060 7.666 1.00 1.24 H new ATOM 0 HG2 GLU A 20 -5.401 -12.778 5.171 1.00 61.34 H new ATOM 0 HG3 GLU A 20 -4.965 -14.475 5.179 1.00 61.34 H new ATOM 332 N ARG A 21 -4.706 -11.408 9.009 1.00 64.20 N ATOM 333 CA ARG A 21 -4.970 -10.107 9.612 1.00 73.33 C ATOM 334 C ARG A 21 -3.687 -9.290 9.727 1.00 63.14 C ATOM 335 O ARG A 21 -3.715 -8.061 9.673 1.00 22.10 O ATOM 336 CB ARG A 21 -5.603 -10.281 10.994 1.00 45.12 C ATOM 337 CG ARG A 21 -4.785 -11.153 11.933 1.00 43.25 C ATOM 338 CD ARG A 21 -4.635 -10.509 13.302 1.00 45.21 C ATOM 339 NE ARG A 21 -3.515 -9.572 13.346 1.00 21.25 N ATOM 340 CZ ARG A 21 -3.380 -8.631 14.274 1.00 34.24 C ATOM 341 NH1 ARG A 21 -4.291 -8.503 15.230 1.00 44.11 N ATOM 342 NH2 ARG A 21 -2.333 -7.817 14.248 1.00 13.40 N ATOM 0 H ARG A 21 -5.072 -12.200 9.537 1.00 64.20 H new ATOM 0 HA ARG A 21 -5.665 -9.570 8.967 1.00 73.33 H new ATOM 0 HB2 ARG A 21 -5.738 -9.300 11.449 1.00 45.12 H new ATOM 0 HB3 ARG A 21 -6.595 -10.718 10.878 1.00 45.12 H new ATOM 0 HG2 ARG A 21 -5.265 -12.126 12.038 1.00 43.25 H new ATOM 0 HG3 ARG A 21 -3.799 -11.328 11.502 1.00 43.25 H new ATOM 0 HD2 ARG A 21 -5.556 -9.986 13.559 1.00 45.21 H new ATOM 0 HD3 ARG A 21 -4.488 -11.285 14.054 1.00 45.21 H new ATOM 0 HE ARG A 21 -2.797 -9.644 12.625 1.00 21.25 H new ATOM 0 HH11 ARG A 21 -5.097 -9.128 15.253 1.00 44.11 H new ATOM 0 HH12 ARG A 21 -4.185 -7.780 15.942 1.00 44.11 H new ATOM 0 HH21 ARG A 21 -1.630 -7.913 13.515 1.00 13.40 H new ATOM 0 HH22 ARG A 21 -2.231 -7.095 14.961 1.00 13.40 H new ATOM 356 N ALA A 22 -2.563 -9.982 9.886 1.00 52.05 N ATOM 357 CA ALA A 22 -1.270 -9.321 10.007 1.00 63.04 C ATOM 358 C ALA A 22 -0.942 -8.521 8.750 1.00 13.14 C ATOM 359 O ALA A 22 -0.347 -7.445 8.825 1.00 61.24 O ATOM 360 CB ALA A 22 -0.178 -10.344 10.283 1.00 61.25 C ATOM 0 H ALA A 22 -2.522 -11.000 9.934 1.00 52.05 H new ATOM 0 HA ALA A 22 -1.322 -8.626 10.845 1.00 63.04 H new ATOM 0 HB1 ALA A 22 0.782 -9.836 10.371 1.00 61.25 H new ATOM 0 HB2 ALA A 22 -0.398 -10.869 11.213 1.00 61.25 H new ATOM 0 HB3 ALA A 22 -0.136 -11.061 9.463 1.00 61.25 H new ATOM 366 N LEU A 23 -1.334 -9.052 7.598 1.00 62.34 N ATOM 367 CA LEU A 23 -1.081 -8.388 6.324 1.00 52.42 C ATOM 368 C LEU A 23 -2.166 -7.358 6.022 1.00 5.05 C ATOM 369 O LEU A 23 -1.876 -6.253 5.565 1.00 1.34 O ATOM 370 CB LEU A 23 -1.011 -9.417 5.194 1.00 11.41 C ATOM 371 CG LEU A 23 -0.132 -10.640 5.455 1.00 70.44 C ATOM 372 CD1 LEU A 23 -0.442 -11.743 4.454 1.00 44.22 C ATOM 373 CD2 LEU A 23 1.341 -10.262 5.395 1.00 14.32 C ATOM 0 H LEU A 23 -1.828 -9.941 7.519 1.00 62.34 H new ATOM 0 HA LEU A 23 -0.124 -7.871 6.396 1.00 52.42 H new ATOM 0 HB2 LEU A 23 -2.023 -9.761 4.979 1.00 11.41 H new ATOM 0 HB3 LEU A 23 -0.647 -8.917 4.296 1.00 11.41 H new ATOM 0 HG LEU A 23 -0.350 -11.013 6.456 1.00 70.44 H new ATOM 0 HD11 LEU A 23 0.193 -12.606 4.655 1.00 44.22 H new ATOM 0 HD12 LEU A 23 -1.489 -12.034 4.545 1.00 44.22 H new ATOM 0 HD13 LEU A 23 -0.253 -11.381 3.443 1.00 44.22 H new ATOM 0 HD21 LEU A 23 1.951 -11.145 5.583 1.00 14.32 H new ATOM 0 HD22 LEU A 23 1.574 -9.863 4.408 1.00 14.32 H new ATOM 0 HD23 LEU A 23 1.554 -9.506 6.151 1.00 14.32 H new ATOM 385 N ALA A 24 -3.415 -7.728 6.284 1.00 61.23 N ATOM 386 CA ALA A 24 -4.542 -6.835 6.045 1.00 70.54 C ATOM 387 C ALA A 24 -4.305 -5.470 6.680 1.00 11.32 C ATOM 388 O ALA A 24 -4.520 -4.435 6.050 1.00 33.21 O ATOM 389 CB ALA A 24 -5.826 -7.452 6.578 1.00 34.43 C ATOM 0 H ALA A 24 -3.672 -8.640 6.662 1.00 61.23 H new ATOM 0 HA ALA A 24 -4.640 -6.693 4.969 1.00 70.54 H new ATOM 0 HB1 ALA A 24 -6.659 -6.774 6.393 1.00 34.43 H new ATOM 0 HB2 ALA A 24 -6.011 -8.401 6.074 1.00 34.43 H new ATOM 0 HB3 ALA A 24 -5.729 -7.624 7.650 1.00 34.43 H new ATOM 395 N GLY A 25 -3.861 -5.474 7.933 1.00 22.14 N ATOM 396 CA GLY A 25 -3.603 -4.229 8.633 1.00 20.35 C ATOM 397 C GLY A 25 -2.209 -3.695 8.372 1.00 41.14 C ATOM 398 O GLY A 25 -1.836 -2.638 8.881 1.00 72.33 O ATOM 0 H GLY A 25 -3.675 -6.317 8.476 1.00 22.14 H new ATOM 0 HA2 GLY A 25 -4.337 -3.484 8.326 1.00 20.35 H new ATOM 0 HA3 GLY A 25 -3.735 -4.384 9.704 1.00 20.35 H new ATOM 402 N ALA A 26 -1.436 -4.427 7.576 1.00 22.13 N ATOM 403 CA ALA A 26 -0.075 -4.020 7.248 1.00 73.33 C ATOM 404 C ALA A 26 -0.020 -3.341 5.883 1.00 23.35 C ATOM 405 O ALA A 26 0.905 -2.583 5.594 1.00 70.33 O ATOM 406 CB ALA A 26 0.857 -5.222 7.280 1.00 62.23 C ATOM 0 H ALA A 26 -1.729 -5.305 7.147 1.00 22.13 H new ATOM 0 HA ALA A 26 0.254 -3.299 7.997 1.00 73.33 H new ATOM 0 HB1 ALA A 26 1.870 -4.904 7.033 1.00 62.23 H new ATOM 0 HB2 ALA A 26 0.848 -5.663 8.277 1.00 62.23 H new ATOM 0 HB3 ALA A 26 0.522 -5.962 6.553 1.00 62.23 H new ATOM 412 N GLY A 27 -1.016 -3.619 5.048 1.00 60.31 N ATOM 413 CA GLY A 27 -1.060 -3.028 3.724 1.00 54.44 C ATOM 414 C GLY A 27 -0.435 -3.919 2.669 1.00 3.21 C ATOM 415 O GLY A 27 0.182 -3.432 1.720 1.00 32.12 O ATOM 0 H GLY A 27 -1.793 -4.243 5.265 1.00 60.31 H new ATOM 0 HA2 GLY A 27 -2.096 -2.824 3.455 1.00 54.44 H new ATOM 0 HA3 GLY A 27 -0.540 -2.070 3.740 1.00 54.44 H new ATOM 419 N LEU A 28 -0.591 -5.228 2.834 1.00 10.45 N ATOM 420 CA LEU A 28 -0.035 -6.190 1.890 1.00 50.04 C ATOM 421 C LEU A 28 -1.028 -7.313 1.609 1.00 62.41 C ATOM 422 O LEU A 28 -1.765 -7.743 2.497 1.00 4.25 O ATOM 423 CB LEU A 28 1.271 -6.772 2.433 1.00 31.12 C ATOM 424 CG LEU A 28 1.946 -5.977 3.552 1.00 72.23 C ATOM 425 CD1 LEU A 28 3.017 -6.816 4.232 1.00 74.25 C ATOM 426 CD2 LEU A 28 2.543 -4.689 3.005 1.00 55.51 C ATOM 0 H LEU A 28 -1.098 -5.647 3.613 1.00 10.45 H new ATOM 0 HA LEU A 28 0.169 -5.668 0.955 1.00 50.04 H new ATOM 0 HB2 LEU A 28 1.072 -7.779 2.799 1.00 31.12 H new ATOM 0 HB3 LEU A 28 1.975 -6.867 1.606 1.00 31.12 H new ATOM 0 HG LEU A 28 1.191 -5.718 4.294 1.00 72.23 H new ATOM 0 HD11 LEU A 28 3.486 -6.234 5.025 1.00 74.25 H new ATOM 0 HD12 LEU A 28 2.562 -7.710 4.658 1.00 74.25 H new ATOM 0 HD13 LEU A 28 3.771 -7.106 3.500 1.00 74.25 H new ATOM 0 HD21 LEU A 28 3.019 -4.136 3.815 1.00 55.51 H new ATOM 0 HD22 LEU A 28 3.285 -4.927 2.243 1.00 55.51 H new ATOM 0 HD23 LEU A 28 1.753 -4.080 2.565 1.00 55.51 H new ATOM 438 N THR A 29 -1.041 -7.788 0.367 1.00 32.01 N ATOM 439 CA THR A 29 -1.942 -8.862 -0.031 1.00 32.21 C ATOM 440 C THR A 29 -1.869 -10.031 0.945 1.00 63.24 C ATOM 441 O THR A 29 -0.877 -10.197 1.656 1.00 11.11 O ATOM 442 CB THR A 29 -1.619 -9.370 -1.449 1.00 22.44 C ATOM 443 OG1 THR A 29 -1.404 -8.262 -2.329 1.00 51.23 O ATOM 444 CG2 THR A 29 -2.748 -10.238 -1.983 1.00 52.03 C ATOM 0 H THR A 29 -0.437 -7.445 -0.380 1.00 32.01 H new ATOM 0 HA THR A 29 -2.950 -8.448 -0.023 1.00 32.21 H new ATOM 0 HB THR A 29 -0.712 -9.973 -1.398 1.00 22.44 H new ATOM 0 HG1 THR A 29 -1.261 -8.591 -3.241 1.00 51.23 H new ATOM 0 HG21 THR A 29 -2.497 -10.585 -2.985 1.00 52.03 H new ATOM 0 HG22 THR A 29 -2.889 -11.097 -1.326 1.00 52.03 H new ATOM 0 HG23 THR A 29 -3.668 -9.655 -2.020 1.00 52.03 H new ATOM 452 N CYS A 30 -2.923 -10.839 0.973 1.00 64.23 N ATOM 453 CA CYS A 30 -2.977 -11.994 1.862 1.00 32.11 C ATOM 454 C CYS A 30 -3.674 -13.170 1.185 1.00 40.44 C ATOM 455 O CYS A 30 -4.860 -13.100 0.860 1.00 42.24 O ATOM 456 CB CYS A 30 -3.705 -11.632 3.158 1.00 62.13 C ATOM 457 SG CYS A 30 -5.294 -10.808 2.906 1.00 34.02 S ATOM 0 H CYS A 30 -3.751 -10.716 0.391 1.00 64.23 H new ATOM 0 HA CYS A 30 -1.954 -12.288 2.097 1.00 32.11 H new ATOM 0 HB2 CYS A 30 -3.867 -12.541 3.737 1.00 62.13 H new ATOM 0 HB3 CYS A 30 -3.062 -10.984 3.754 1.00 62.13 H new ATOM 0 HG CYS A 30 -5.916 -11.361 1.908 1.00 34.02 H new ATOM 463 N THR A 31 -2.929 -14.250 0.972 1.00 20.14 N ATOM 464 CA THR A 31 -3.474 -15.440 0.331 1.00 64.01 C ATOM 465 C THR A 31 -3.242 -16.680 1.186 1.00 34.44 C ATOM 466 O THR A 31 -2.105 -17.112 1.378 1.00 32.44 O ATOM 467 CB THR A 31 -2.849 -15.665 -1.059 1.00 4.02 C ATOM 468 OG1 THR A 31 -2.778 -14.425 -1.771 1.00 1.42 O ATOM 469 CG2 THR A 31 -3.661 -16.670 -1.861 1.00 63.51 C ATOM 0 H THR A 31 -1.946 -14.325 1.234 1.00 20.14 H new ATOM 0 HA THR A 31 -4.546 -15.275 0.218 1.00 64.01 H new ATOM 0 HB THR A 31 -1.843 -16.062 -0.921 1.00 4.02 H new ATOM 0 HG1 THR A 31 -1.844 -14.227 -1.991 1.00 1.42 H new ATOM 0 HG21 THR A 31 -3.200 -16.813 -2.839 1.00 63.51 H new ATOM 0 HG22 THR A 31 -3.688 -17.622 -1.330 1.00 63.51 H new ATOM 0 HG23 THR A 31 -4.677 -16.297 -1.990 1.00 63.51 H new ATOM 477 N THR A 32 -4.328 -17.251 1.699 1.00 73.33 N ATOM 478 CA THR A 32 -4.244 -18.442 2.534 1.00 24.33 C ATOM 479 C THR A 32 -4.631 -19.692 1.752 1.00 41.24 C ATOM 480 O THR A 32 -5.624 -19.698 1.025 1.00 55.15 O ATOM 481 CB THR A 32 -5.151 -18.325 3.774 1.00 41.25 C ATOM 482 OG1 THR A 32 -6.519 -18.522 3.399 1.00 30.15 O ATOM 483 CG2 THR A 32 -4.992 -16.964 4.434 1.00 43.43 C ATOM 0 H THR A 32 -5.277 -16.907 1.550 1.00 73.33 H new ATOM 0 HA THR A 32 -3.207 -18.527 2.858 1.00 24.33 H new ATOM 0 HB THR A 32 -4.855 -19.094 4.488 1.00 41.25 H new ATOM 0 HG1 THR A 32 -7.090 -18.448 4.192 1.00 30.15 H new ATOM 0 HG21 THR A 32 -5.642 -16.905 5.307 1.00 43.43 H new ATOM 0 HG22 THR A 32 -3.956 -16.829 4.743 1.00 43.43 H new ATOM 0 HG23 THR A 32 -5.264 -16.182 3.725 1.00 43.43 H new ATOM 491 N PHE A 33 -3.841 -20.749 1.905 1.00 21.23 N ATOM 492 CA PHE A 33 -4.101 -22.005 1.212 1.00 35.41 C ATOM 493 C PHE A 33 -4.307 -23.143 2.208 1.00 72.44 C ATOM 494 O PHE A 33 -4.412 -22.916 3.412 1.00 12.13 O ATOM 495 CB PHE A 33 -2.945 -22.341 0.268 1.00 22.14 C ATOM 496 CG PHE A 33 -2.731 -21.315 -0.807 1.00 12.50 C ATOM 497 CD1 PHE A 33 -3.521 -21.310 -1.946 1.00 21.24 C ATOM 498 CD2 PHE A 33 -1.741 -20.354 -0.679 1.00 54.41 C ATOM 499 CE1 PHE A 33 -3.326 -20.367 -2.937 1.00 22.11 C ATOM 500 CE2 PHE A 33 -1.542 -19.408 -1.667 1.00 41.40 C ATOM 501 CZ PHE A 33 -2.336 -19.414 -2.797 1.00 10.11 C ATOM 0 H PHE A 33 -3.015 -20.761 2.503 1.00 21.23 H new ATOM 0 HA PHE A 33 -5.014 -21.887 0.628 1.00 35.41 H new ATOM 0 HB2 PHE A 33 -2.029 -22.442 0.850 1.00 22.14 H new ATOM 0 HB3 PHE A 33 -3.136 -23.308 -0.197 1.00 22.14 H new ATOM 0 HD1 PHE A 33 -4.298 -22.052 -2.060 1.00 21.24 H new ATOM 0 HD2 PHE A 33 -1.118 -20.344 0.203 1.00 54.41 H new ATOM 0 HE1 PHE A 33 -3.947 -20.375 -3.820 1.00 22.11 H new ATOM 0 HE2 PHE A 33 -0.766 -18.665 -1.555 1.00 41.40 H new ATOM 0 HZ PHE A 33 -2.183 -18.675 -3.570 1.00 10.11 H new ATOM 511 N GLU A 34 -4.364 -24.368 1.694 1.00 72.22 N ATOM 512 CA GLU A 34 -4.559 -25.541 2.537 1.00 21.45 C ATOM 513 C GLU A 34 -3.720 -26.715 2.039 1.00 35.11 C ATOM 514 O GLU A 34 -3.980 -27.867 2.384 1.00 24.10 O ATOM 515 CB GLU A 34 -6.037 -25.934 2.570 1.00 74.11 C ATOM 516 CG GLU A 34 -6.608 -26.272 1.203 1.00 64.14 C ATOM 517 CD GLU A 34 -7.748 -25.356 0.804 1.00 72.25 C ATOM 518 OE1 GLU A 34 -7.725 -24.172 1.199 1.00 34.23 O ATOM 519 OE2 GLU A 34 -8.664 -25.824 0.095 1.00 61.32 O ATOM 0 H GLU A 34 -4.278 -24.573 0.699 1.00 72.22 H new ATOM 0 HA GLU A 34 -4.236 -25.288 3.547 1.00 21.45 H new ATOM 0 HB2 GLU A 34 -6.161 -26.794 3.229 1.00 74.11 H new ATOM 0 HB3 GLU A 34 -6.612 -25.115 3.002 1.00 74.11 H new ATOM 0 HG2 GLU A 34 -5.816 -26.207 0.457 1.00 64.14 H new ATOM 0 HG3 GLU A 34 -6.960 -27.304 1.205 1.00 64.14 H new ATOM 526 N ASN A 35 -2.715 -26.412 1.225 1.00 65.41 N ATOM 527 CA ASN A 35 -1.838 -27.442 0.678 1.00 51.35 C ATOM 528 C ASN A 35 -0.655 -26.816 -0.055 1.00 55.34 C ATOM 529 O ASN A 35 -0.833 -26.063 -1.012 1.00 65.24 O ATOM 530 CB ASN A 35 -2.618 -28.352 -0.273 1.00 41.04 C ATOM 531 CG ASN A 35 -2.153 -29.794 -0.204 1.00 52.25 C ATOM 532 OD1 ASN A 35 -1.250 -30.131 0.562 1.00 53.33 O ATOM 533 ND2 ASN A 35 -2.770 -30.653 -1.008 1.00 22.15 N ATOM 0 H ASN A 35 -2.487 -25.463 0.929 1.00 65.41 H new ATOM 0 HA ASN A 35 -1.455 -28.037 1.507 1.00 51.35 H new ATOM 0 HB2 ASN A 35 -3.679 -28.303 -0.029 1.00 41.04 H new ATOM 0 HB3 ASN A 35 -2.508 -27.986 -1.294 1.00 41.04 H new ATOM 0 HD21 ASN A 35 -2.500 -31.637 -1.007 1.00 22.15 H new ATOM 0 HD22 ASN A 35 -3.513 -30.329 -1.627 1.00 22.15 H new ATOM 540 N GLY A 36 0.552 -27.133 0.401 1.00 23.24 N ATOM 541 CA GLY A 36 1.747 -26.594 -0.222 1.00 74.14 C ATOM 542 C GLY A 36 1.815 -26.901 -1.705 1.00 50.43 C ATOM 543 O GLY A 36 2.509 -26.216 -2.456 1.00 21.32 O ATOM 0 H GLY A 36 0.724 -27.754 1.192 1.00 23.24 H new ATOM 0 HA2 GLY A 36 1.774 -25.514 -0.076 1.00 74.14 H new ATOM 0 HA3 GLY A 36 2.628 -27.005 0.272 1.00 74.14 H new ATOM 547 N ASN A 37 1.094 -27.934 -2.128 1.00 53.33 N ATOM 548 CA ASN A 37 1.077 -28.331 -3.531 1.00 64.14 C ATOM 549 C ASN A 37 0.201 -27.391 -4.353 1.00 41.50 C ATOM 550 O ASN A 37 0.372 -27.269 -5.565 1.00 51.45 O ATOM 551 CB ASN A 37 0.572 -29.769 -3.670 1.00 50.51 C ATOM 552 CG ASN A 37 0.126 -30.091 -5.083 1.00 44.14 C ATOM 553 OD1 ASN A 37 0.912 -30.007 -6.028 1.00 35.10 O ATOM 554 ND2 ASN A 37 -1.140 -30.462 -5.234 1.00 43.23 N ATOM 0 H ASN A 37 0.514 -28.511 -1.519 1.00 53.33 H new ATOM 0 HA ASN A 37 2.097 -28.273 -3.911 1.00 64.14 H new ATOM 0 HB2 ASN A 37 1.363 -30.459 -3.375 1.00 50.51 H new ATOM 0 HB3 ASN A 37 -0.260 -29.927 -2.984 1.00 50.51 H new ATOM 0 HD21 ASN A 37 -1.497 -30.691 -6.162 1.00 43.23 H new ATOM 0 HD22 ASN A 37 -1.755 -30.518 -4.422 1.00 43.23 H new ATOM 561 N GLU A 38 -0.737 -26.728 -3.683 1.00 44.21 N ATOM 562 CA GLU A 38 -1.640 -25.798 -4.352 1.00 25.42 C ATOM 563 C GLU A 38 -1.055 -24.389 -4.368 1.00 52.21 C ATOM 564 O GLU A 38 -1.512 -23.524 -5.116 1.00 11.25 O ATOM 565 CB GLU A 38 -3.003 -25.789 -3.658 1.00 32.01 C ATOM 566 CG GLU A 38 -4.177 -25.863 -4.620 1.00 45.15 C ATOM 567 CD GLU A 38 -5.066 -27.064 -4.364 1.00 54.35 C ATOM 568 OE1 GLU A 38 -5.705 -27.110 -3.292 1.00 61.20 O ATOM 569 OE2 GLU A 38 -5.124 -27.956 -5.236 1.00 33.45 O ATOM 0 H GLU A 38 -0.891 -26.817 -2.679 1.00 44.21 H new ATOM 0 HA GLU A 38 -1.767 -26.131 -5.382 1.00 25.42 H new ATOM 0 HB2 GLU A 38 -3.056 -26.632 -2.968 1.00 32.01 H new ATOM 0 HB3 GLU A 38 -3.091 -24.882 -3.060 1.00 32.01 H new ATOM 0 HG2 GLU A 38 -4.770 -24.952 -4.535 1.00 45.15 H new ATOM 0 HG3 GLU A 38 -3.802 -25.905 -5.643 1.00 45.15 H new ATOM 576 N VAL A 39 -0.042 -24.165 -3.537 1.00 41.14 N ATOM 577 CA VAL A 39 0.606 -22.861 -3.456 1.00 21.43 C ATOM 578 C VAL A 39 1.750 -22.752 -4.458 1.00 73.40 C ATOM 579 O VAL A 39 1.950 -21.706 -5.077 1.00 72.51 O ATOM 580 CB VAL A 39 1.151 -22.593 -2.040 1.00 62.24 C ATOM 581 CG1 VAL A 39 1.475 -21.118 -1.863 1.00 41.44 C ATOM 582 CG2 VAL A 39 0.155 -23.059 -0.989 1.00 50.32 C ATOM 0 H VAL A 39 0.348 -24.869 -2.911 1.00 41.14 H new ATOM 0 HA VAL A 39 -0.153 -22.115 -3.693 1.00 21.43 H new ATOM 0 HB VAL A 39 2.073 -23.160 -1.911 1.00 62.24 H new ATOM 0 HG11 VAL A 39 1.859 -20.948 -0.857 1.00 41.44 H new ATOM 0 HG12 VAL A 39 2.227 -20.821 -2.593 1.00 41.44 H new ATOM 0 HG13 VAL A 39 0.572 -20.527 -2.012 1.00 41.44 H new ATOM 0 HG21 VAL A 39 0.556 -22.862 0.005 1.00 50.32 H new ATOM 0 HG22 VAL A 39 -0.785 -22.521 -1.114 1.00 50.32 H new ATOM 0 HG23 VAL A 39 -0.021 -24.129 -1.104 1.00 50.32 H new ATOM 592 N LEU A 40 2.498 -23.839 -4.614 1.00 33.10 N ATOM 593 CA LEU A 40 3.623 -23.867 -5.542 1.00 55.25 C ATOM 594 C LEU A 40 3.201 -23.376 -6.924 1.00 12.44 C ATOM 595 O LEU A 40 3.900 -22.581 -7.551 1.00 24.10 O ATOM 596 CB LEU A 40 4.191 -25.283 -5.644 1.00 74.50 C ATOM 597 CG LEU A 40 4.823 -25.658 -6.985 1.00 22.53 C ATOM 598 CD1 LEU A 40 5.952 -24.699 -7.329 1.00 60.42 C ATOM 599 CD2 LEU A 40 5.331 -27.093 -6.952 1.00 54.33 C ATOM 0 H LEU A 40 2.346 -24.712 -4.110 1.00 33.10 H new ATOM 0 HA LEU A 40 4.395 -23.199 -5.159 1.00 55.25 H new ATOM 0 HB2 LEU A 40 4.941 -25.409 -4.864 1.00 74.50 H new ATOM 0 HB3 LEU A 40 3.389 -25.991 -5.432 1.00 74.50 H new ATOM 0 HG LEU A 40 4.060 -25.581 -7.759 1.00 22.53 H new ATOM 0 HD11 LEU A 40 6.390 -24.981 -8.286 1.00 60.42 H new ATOM 0 HD12 LEU A 40 5.560 -23.684 -7.394 1.00 60.42 H new ATOM 0 HD13 LEU A 40 6.716 -24.744 -6.553 1.00 60.42 H new ATOM 0 HD21 LEU A 40 5.778 -27.343 -7.914 1.00 54.33 H new ATOM 0 HD22 LEU A 40 6.080 -27.196 -6.167 1.00 54.33 H new ATOM 0 HD23 LEU A 40 4.500 -27.769 -6.751 1.00 54.33 H new ATOM 611 N ALA A 41 2.051 -23.853 -7.390 1.00 44.41 N ATOM 612 CA ALA A 41 1.534 -23.459 -8.695 1.00 2.23 C ATOM 613 C ALA A 41 1.104 -21.996 -8.696 1.00 2.20 C ATOM 614 O ALA A 41 1.211 -21.309 -9.711 1.00 50.42 O ATOM 615 CB ALA A 41 0.370 -24.354 -9.093 1.00 13.52 C ATOM 0 H ALA A 41 1.460 -24.512 -6.883 1.00 44.41 H new ATOM 0 HA ALA A 41 2.334 -23.576 -9.426 1.00 2.23 H new ATOM 0 HB1 ALA A 41 -0.006 -24.049 -10.069 1.00 13.52 H new ATOM 0 HB2 ALA A 41 0.707 -25.389 -9.142 1.00 13.52 H new ATOM 0 HB3 ALA A 41 -0.426 -24.266 -8.354 1.00 13.52 H new ATOM 621 N ALA A 42 0.617 -21.526 -7.552 1.00 41.01 N ATOM 622 CA ALA A 42 0.172 -20.144 -7.422 1.00 23.15 C ATOM 623 C ALA A 42 1.322 -19.172 -7.663 1.00 22.02 C ATOM 624 O ALA A 42 1.120 -18.070 -8.175 1.00 62.21 O ATOM 625 CB ALA A 42 -0.437 -19.913 -6.046 1.00 63.44 C ATOM 0 H ALA A 42 0.521 -22.082 -6.702 1.00 41.01 H new ATOM 0 HA ALA A 42 -0.589 -19.960 -8.180 1.00 23.15 H new ATOM 0 HB1 ALA A 42 -0.765 -18.877 -5.963 1.00 63.44 H new ATOM 0 HB2 ALA A 42 -1.291 -20.576 -5.910 1.00 63.44 H new ATOM 0 HB3 ALA A 42 0.309 -20.120 -5.279 1.00 63.44 H new ATOM 631 N LEU A 43 2.528 -19.586 -7.290 1.00 43.23 N ATOM 632 CA LEU A 43 3.712 -18.751 -7.466 1.00 14.23 C ATOM 633 C LEU A 43 3.893 -18.364 -8.930 1.00 61.30 C ATOM 634 O LEU A 43 4.291 -17.242 -9.241 1.00 61.23 O ATOM 635 CB LEU A 43 4.956 -19.483 -6.962 1.00 22.43 C ATOM 636 CG LEU A 43 4.789 -20.277 -5.665 1.00 42.41 C ATOM 637 CD1 LEU A 43 6.104 -20.927 -5.264 1.00 2.41 C ATOM 638 CD2 LEU A 43 4.276 -19.376 -4.551 1.00 54.03 C ATOM 0 H LEU A 43 2.712 -20.494 -6.864 1.00 43.23 H new ATOM 0 HA LEU A 43 3.574 -17.840 -6.884 1.00 14.23 H new ATOM 0 HB2 LEU A 43 5.292 -20.166 -7.742 1.00 22.43 H new ATOM 0 HB3 LEU A 43 5.750 -18.751 -6.816 1.00 22.43 H new ATOM 0 HG LEU A 43 4.055 -21.065 -5.835 1.00 42.41 H new ATOM 0 HD11 LEU A 43 5.966 -21.487 -4.339 1.00 2.41 H new ATOM 0 HD12 LEU A 43 6.431 -21.604 -6.053 1.00 2.41 H new ATOM 0 HD13 LEU A 43 6.859 -20.156 -5.112 1.00 2.41 H new ATOM 0 HD21 LEU A 43 4.163 -19.957 -3.636 1.00 54.03 H new ATOM 0 HD22 LEU A 43 4.986 -18.567 -4.382 1.00 54.03 H new ATOM 0 HD23 LEU A 43 3.311 -18.958 -4.837 1.00 54.03 H new ATOM 650 N ALA A 44 3.596 -19.301 -9.825 1.00 5.10 N ATOM 651 CA ALA A 44 3.723 -19.057 -11.256 1.00 72.05 C ATOM 652 C ALA A 44 2.810 -17.919 -11.702 1.00 64.42 C ATOM 653 O ALA A 44 2.980 -17.364 -12.788 1.00 34.14 O ATOM 654 CB ALA A 44 3.409 -20.325 -12.038 1.00 2.45 C ATOM 0 H ALA A 44 3.266 -20.236 -9.584 1.00 5.10 H new ATOM 0 HA ALA A 44 4.753 -18.763 -11.459 1.00 72.05 H new ATOM 0 HB1 ALA A 44 3.508 -20.128 -13.105 1.00 2.45 H new ATOM 0 HB2 ALA A 44 4.105 -21.113 -11.748 1.00 2.45 H new ATOM 0 HB3 ALA A 44 2.389 -20.643 -11.821 1.00 2.45 H new ATOM 660 N SER A 45 1.842 -17.578 -10.858 1.00 4.23 N ATOM 661 CA SER A 45 0.900 -16.509 -11.167 1.00 50.11 C ATOM 662 C SER A 45 1.571 -15.143 -11.055 1.00 23.52 C ATOM 663 O SER A 45 1.857 -14.494 -12.061 1.00 10.00 O ATOM 664 CB SER A 45 -0.306 -16.576 -10.228 1.00 1.21 C ATOM 665 OG SER A 45 -0.911 -17.857 -10.265 1.00 51.44 O ATOM 0 H SER A 45 1.689 -18.027 -9.955 1.00 4.23 H new ATOM 0 HA SER A 45 0.560 -16.644 -12.194 1.00 50.11 H new ATOM 0 HB2 SER A 45 0.009 -16.349 -9.210 1.00 1.21 H new ATOM 0 HB3 SER A 45 -1.035 -15.818 -10.513 1.00 1.21 H new ATOM 0 HG SER A 45 -0.398 -18.477 -9.706 1.00 51.44 H new ATOM 671 N LYS A 46 1.821 -14.713 -9.823 1.00 35.44 N ATOM 672 CA LYS A 46 2.459 -13.426 -9.575 1.00 62.25 C ATOM 673 C LYS A 46 3.691 -13.591 -8.691 1.00 12.23 C ATOM 674 O LYS A 46 4.473 -12.656 -8.517 1.00 1.34 O ATOM 675 CB LYS A 46 1.471 -12.461 -8.917 1.00 74.13 C ATOM 676 CG LYS A 46 0.662 -13.090 -7.796 1.00 54.01 C ATOM 677 CD LYS A 46 0.724 -12.256 -6.528 1.00 10.33 C ATOM 678 CE LYS A 46 -0.624 -11.628 -6.206 1.00 62.24 C ATOM 679 NZ LYS A 46 -1.694 -12.654 -6.068 1.00 33.12 N ATOM 0 H LYS A 46 1.591 -15.238 -8.979 1.00 35.44 H new ATOM 0 HA LYS A 46 2.774 -13.014 -10.534 1.00 62.25 H new ATOM 0 HB2 LYS A 46 2.020 -11.606 -8.522 1.00 74.13 H new ATOM 0 HB3 LYS A 46 0.789 -12.079 -9.676 1.00 74.13 H new ATOM 0 HG2 LYS A 46 -0.376 -13.198 -8.111 1.00 54.01 H new ATOM 0 HG3 LYS A 46 1.039 -14.092 -7.592 1.00 54.01 H new ATOM 0 HD2 LYS A 46 1.043 -12.882 -5.695 1.00 10.33 H new ATOM 0 HD3 LYS A 46 1.473 -11.473 -6.643 1.00 10.33 H new ATOM 0 HE2 LYS A 46 -0.547 -11.057 -5.281 1.00 62.24 H new ATOM 0 HE3 LYS A 46 -0.895 -10.925 -6.993 1.00 62.24 H new ATOM 0 HZ1 LYS A 46 -2.455 -12.456 -6.749 1.00 33.12 H new ATOM 0 HZ2 LYS A 46 -1.297 -13.597 -6.256 1.00 33.12 H new ATOM 0 HZ3 LYS A 46 -2.079 -12.627 -5.102 1.00 33.12 H new ATOM 693 N THR A 47 3.859 -14.786 -8.134 1.00 73.41 N ATOM 694 CA THR A 47 4.995 -15.073 -7.268 1.00 20.51 C ATOM 695 C THR A 47 4.981 -14.185 -6.030 1.00 12.44 C ATOM 696 O THR A 47 5.201 -12.975 -6.101 1.00 64.43 O ATOM 697 CB THR A 47 6.331 -14.879 -8.010 1.00 54.13 C ATOM 698 OG1 THR A 47 6.094 -14.737 -9.415 1.00 52.14 O ATOM 699 CG2 THR A 47 7.263 -16.056 -7.764 1.00 52.43 C ATOM 0 H THR A 47 3.222 -15.571 -8.268 1.00 73.41 H new ATOM 0 HA THR A 47 4.905 -16.116 -6.965 1.00 20.51 H new ATOM 0 HB THR A 47 6.806 -13.975 -7.628 1.00 54.13 H new ATOM 0 HG1 THR A 47 6.948 -14.613 -9.880 1.00 52.14 H new ATOM 0 HG21 THR A 47 8.200 -15.896 -8.298 1.00 52.43 H new ATOM 0 HG22 THR A 47 7.464 -16.144 -6.696 1.00 52.43 H new ATOM 0 HG23 THR A 47 6.794 -16.973 -8.121 1.00 52.43 H new ATOM 707 N PRO A 48 4.716 -14.795 -4.865 1.00 20.00 N ATOM 708 CA PRO A 48 4.668 -14.077 -3.588 1.00 22.12 C ATOM 709 C PRO A 48 6.045 -13.602 -3.138 1.00 45.20 C ATOM 710 O PRO A 48 7.069 -14.108 -3.599 1.00 35.40 O ATOM 711 CB PRO A 48 4.119 -15.122 -2.614 1.00 34.22 C ATOM 712 CG PRO A 48 4.490 -16.433 -3.216 1.00 22.34 C ATOM 713 CD PRO A 48 4.444 -16.233 -4.705 1.00 75.32 C ATOM 0 HA PRO A 48 4.062 -13.173 -3.651 1.00 22.12 H new ATOM 0 HB2 PRO A 48 4.554 -15.005 -1.621 1.00 34.22 H new ATOM 0 HB3 PRO A 48 3.039 -15.030 -2.502 1.00 34.22 H new ATOM 0 HG2 PRO A 48 5.484 -16.743 -2.894 1.00 22.34 H new ATOM 0 HG3 PRO A 48 3.797 -17.215 -2.906 1.00 22.34 H new ATOM 0 HD2 PRO A 48 5.190 -16.842 -5.215 1.00 75.32 H new ATOM 0 HD3 PRO A 48 3.473 -16.506 -5.117 1.00 75.32 H new ATOM 721 N ASP A 49 6.064 -12.627 -2.236 1.00 22.13 N ATOM 722 CA ASP A 49 7.317 -12.085 -1.722 1.00 54.51 C ATOM 723 C ASP A 49 7.879 -12.971 -0.615 1.00 43.51 C ATOM 724 O ASP A 49 9.077 -12.941 -0.330 1.00 14.21 O ATOM 725 CB ASP A 49 7.104 -10.664 -1.197 1.00 44.20 C ATOM 726 CG ASP A 49 8.167 -9.700 -1.688 1.00 71.31 C ATOM 727 OD1 ASP A 49 9.328 -9.820 -1.243 1.00 11.51 O ATOM 728 OD2 ASP A 49 7.838 -8.828 -2.518 1.00 52.42 O ATOM 0 H ASP A 49 5.226 -12.196 -1.845 1.00 22.13 H new ATOM 0 HA ASP A 49 8.036 -12.058 -2.541 1.00 54.51 H new ATOM 0 HB2 ASP A 49 6.122 -10.308 -1.509 1.00 44.20 H new ATOM 0 HB3 ASP A 49 7.106 -10.678 -0.107 1.00 44.20 H new ATOM 733 N VAL A 50 7.007 -13.758 0.007 1.00 42.05 N ATOM 734 CA VAL A 50 7.417 -14.653 1.082 1.00 13.45 C ATOM 735 C VAL A 50 6.221 -15.401 1.660 1.00 73.21 C ATOM 736 O VAL A 50 5.138 -14.835 1.820 1.00 25.32 O ATOM 737 CB VAL A 50 8.122 -13.883 2.215 1.00 50.32 C ATOM 738 CG1 VAL A 50 7.333 -12.636 2.585 1.00 31.34 C ATOM 739 CG2 VAL A 50 8.317 -14.780 3.427 1.00 23.25 C ATOM 0 H VAL A 50 6.012 -13.794 -0.215 1.00 42.05 H new ATOM 0 HA VAL A 50 8.116 -15.369 0.649 1.00 13.45 H new ATOM 0 HB VAL A 50 9.105 -13.570 1.862 1.00 50.32 H new ATOM 0 HG11 VAL A 50 7.846 -12.105 3.387 1.00 31.34 H new ATOM 0 HG12 VAL A 50 7.251 -11.986 1.714 1.00 31.34 H new ATOM 0 HG13 VAL A 50 6.336 -12.922 2.920 1.00 31.34 H new ATOM 0 HG21 VAL A 50 8.816 -14.220 4.218 1.00 23.25 H new ATOM 0 HG22 VAL A 50 7.347 -15.125 3.784 1.00 23.25 H new ATOM 0 HG23 VAL A 50 8.928 -15.639 3.149 1.00 23.25 H new ATOM 749 N LEU A 51 6.423 -16.677 1.971 1.00 15.33 N ATOM 750 CA LEU A 51 5.360 -17.505 2.532 1.00 4.44 C ATOM 751 C LEU A 51 5.701 -17.937 3.955 1.00 62.32 C ATOM 752 O LEU A 51 6.854 -17.857 4.380 1.00 24.41 O ATOM 753 CB LEU A 51 5.129 -18.735 1.654 1.00 34.54 C ATOM 754 CG LEU A 51 3.678 -19.015 1.259 1.00 10.43 C ATOM 755 CD1 LEU A 51 3.588 -19.388 -0.212 1.00 71.50 C ATOM 756 CD2 LEU A 51 3.091 -20.117 2.129 1.00 63.34 C ATOM 0 H LEU A 51 7.312 -17.161 1.844 1.00 15.33 H new ATOM 0 HA LEU A 51 4.446 -16.911 2.562 1.00 4.44 H new ATOM 0 HB2 LEU A 51 5.717 -18.622 0.743 1.00 34.54 H new ATOM 0 HB3 LEU A 51 5.517 -19.609 2.178 1.00 34.54 H new ATOM 0 HG LEU A 51 3.096 -18.107 1.418 1.00 10.43 H new ATOM 0 HD11 LEU A 51 2.548 -19.584 -0.475 1.00 71.50 H new ATOM 0 HD12 LEU A 51 3.967 -18.566 -0.820 1.00 71.50 H new ATOM 0 HD13 LEU A 51 4.184 -20.282 -0.398 1.00 71.50 H new ATOM 0 HD21 LEU A 51 2.058 -20.303 1.834 1.00 63.34 H new ATOM 0 HD22 LEU A 51 3.674 -21.029 2.003 1.00 63.34 H new ATOM 0 HD23 LEU A 51 3.120 -19.809 3.174 1.00 63.34 H new ATOM 768 N LEU A 52 4.692 -18.398 4.685 1.00 13.33 N ATOM 769 CA LEU A 52 4.884 -18.846 6.060 1.00 22.11 C ATOM 770 C LEU A 52 4.147 -20.157 6.314 1.00 63.35 C ATOM 771 O LEU A 52 3.031 -20.163 6.833 1.00 62.42 O ATOM 772 CB LEU A 52 4.397 -17.777 7.039 1.00 10.52 C ATOM 773 CG LEU A 52 4.608 -16.325 6.607 1.00 1.02 C ATOM 774 CD1 LEU A 52 3.296 -15.709 6.147 1.00 1.21 C ATOM 775 CD2 LEU A 52 5.211 -15.513 7.744 1.00 43.41 C ATOM 0 H LEU A 52 3.732 -18.472 4.348 1.00 13.33 H new ATOM 0 HA LEU A 52 5.950 -19.013 6.215 1.00 22.11 H new ATOM 0 HB2 LEU A 52 3.332 -17.932 7.215 1.00 10.52 H new ATOM 0 HB3 LEU A 52 4.903 -17.929 7.993 1.00 10.52 H new ATOM 0 HG LEU A 52 5.305 -16.313 5.769 1.00 1.02 H new ATOM 0 HD11 LEU A 52 3.466 -14.676 5.844 1.00 1.21 H new ATOM 0 HD12 LEU A 52 2.904 -16.276 5.302 1.00 1.21 H new ATOM 0 HD13 LEU A 52 2.576 -15.733 6.965 1.00 1.21 H new ATOM 0 HD21 LEU A 52 5.354 -14.482 7.419 1.00 43.41 H new ATOM 0 HD22 LEU A 52 4.539 -15.533 8.602 1.00 43.41 H new ATOM 0 HD23 LEU A 52 6.173 -15.941 8.027 1.00 43.41 H new ATOM 787 N SER A 53 4.780 -21.267 5.945 1.00 1.42 N ATOM 788 CA SER A 53 4.184 -22.584 6.131 1.00 30.31 C ATOM 789 C SER A 53 4.117 -22.946 7.612 1.00 60.33 C ATOM 790 O SER A 53 5.126 -22.912 8.317 1.00 53.23 O ATOM 791 CB SER A 53 4.987 -23.642 5.372 1.00 73.34 C ATOM 792 OG SER A 53 6.113 -24.064 6.122 1.00 51.35 O ATOM 0 H SER A 53 5.705 -21.280 5.516 1.00 1.42 H new ATOM 0 HA SER A 53 3.169 -22.555 5.735 1.00 30.31 H new ATOM 0 HB2 SER A 53 4.350 -24.499 5.154 1.00 73.34 H new ATOM 0 HB3 SER A 53 5.315 -23.237 4.415 1.00 73.34 H new ATOM 0 HG SER A 53 6.121 -23.604 6.987 1.00 51.35 H new ATOM 798 N ASP A 54 2.922 -23.293 8.076 1.00 74.23 N ATOM 799 CA ASP A 54 2.721 -23.663 9.472 1.00 3.11 C ATOM 800 C ASP A 54 3.174 -25.098 9.725 1.00 55.24 C ATOM 801 O ASP A 54 3.457 -25.478 10.861 1.00 63.53 O ATOM 802 CB ASP A 54 1.250 -23.503 9.858 1.00 31.31 C ATOM 803 CG ASP A 54 0.904 -24.241 11.137 1.00 55.24 C ATOM 804 OD1 ASP A 54 1.656 -24.102 12.124 1.00 53.25 O ATOM 805 OD2 ASP A 54 -0.119 -24.958 11.150 1.00 12.40 O ATOM 0 H ASP A 54 2.077 -23.326 7.505 1.00 74.23 H new ATOM 0 HA ASP A 54 3.324 -22.997 10.089 1.00 3.11 H new ATOM 0 HB2 ASP A 54 1.022 -22.444 9.980 1.00 31.31 H new ATOM 0 HB3 ASP A 54 0.622 -23.873 9.047 1.00 31.31 H new ATOM 810 N ILE A 55 3.237 -25.889 8.659 1.00 40.21 N ATOM 811 CA ILE A 55 3.655 -27.281 8.766 1.00 74.25 C ATOM 812 C ILE A 55 2.713 -28.070 9.669 1.00 12.11 C ATOM 813 O ILE A 55 2.962 -28.217 10.866 1.00 43.24 O ATOM 814 CB ILE A 55 5.090 -27.398 9.312 1.00 72.32 C ATOM 815 CG1 ILE A 55 6.082 -26.752 8.343 1.00 70.34 C ATOM 816 CG2 ILE A 55 5.448 -28.857 9.551 1.00 61.52 C ATOM 817 CD1 ILE A 55 7.508 -26.755 8.847 1.00 61.11 C ATOM 0 H ILE A 55 3.004 -25.590 7.712 1.00 40.21 H new ATOM 0 HA ILE A 55 3.623 -27.698 7.759 1.00 74.25 H new ATOM 0 HB ILE A 55 5.145 -26.870 10.264 1.00 72.32 H new ATOM 0 HG12 ILE A 55 6.041 -27.278 7.389 1.00 70.34 H new ATOM 0 HG13 ILE A 55 5.775 -25.724 8.153 1.00 70.34 H new ATOM 0 HG21 ILE A 55 6.465 -28.924 9.937 1.00 61.52 H new ATOM 0 HG22 ILE A 55 4.756 -29.287 10.275 1.00 61.52 H new ATOM 0 HG23 ILE A 55 5.379 -29.407 8.612 1.00 61.52 H new ATOM 0 HD11 ILE A 55 8.156 -26.282 8.109 1.00 61.11 H new ATOM 0 HD12 ILE A 55 7.563 -26.203 9.786 1.00 61.11 H new ATOM 0 HD13 ILE A 55 7.834 -27.782 9.010 1.00 61.11 H new ATOM 829 N ARG A 56 1.631 -28.577 9.088 1.00 54.02 N ATOM 830 CA ARG A 56 0.651 -29.352 9.840 1.00 2.32 C ATOM 831 C ARG A 56 -0.292 -30.096 8.900 1.00 60.14 C ATOM 832 O ARG A 56 -1.404 -29.642 8.633 1.00 52.11 O ATOM 833 CB ARG A 56 -0.152 -28.437 10.766 1.00 11.42 C ATOM 834 CG ARG A 56 0.270 -28.522 12.224 1.00 64.33 C ATOM 835 CD ARG A 56 0.932 -27.235 12.689 1.00 43.45 C ATOM 836 NE ARG A 56 0.025 -26.407 13.479 1.00 30.43 N ATOM 837 CZ ARG A 56 -0.376 -26.722 14.706 1.00 70.31 C ATOM 838 NH1 ARG A 56 0.048 -27.840 15.279 1.00 22.11 N ATOM 839 NH2 ARG A 56 -1.203 -25.918 15.362 1.00 61.11 N ATOM 0 H ARG A 56 1.410 -28.465 8.098 1.00 54.02 H new ATOM 0 HA ARG A 56 1.189 -30.085 10.441 1.00 2.32 H new ATOM 0 HB2 ARG A 56 -0.046 -27.407 10.426 1.00 11.42 H new ATOM 0 HB3 ARG A 56 -1.209 -28.692 10.687 1.00 11.42 H new ATOM 0 HG2 ARG A 56 -0.602 -28.729 12.845 1.00 64.33 H new ATOM 0 HG3 ARG A 56 0.960 -29.355 12.356 1.00 64.33 H new ATOM 0 HD2 ARG A 56 1.814 -27.475 13.283 1.00 43.45 H new ATOM 0 HD3 ARG A 56 1.276 -26.671 11.822 1.00 43.45 H new ATOM 0 HE ARG A 56 -0.319 -25.540 13.067 1.00 30.43 H new ATOM 0 HH11 ARG A 56 0.684 -28.461 14.778 1.00 22.11 H new ATOM 0 HH12 ARG A 56 -0.261 -28.079 16.221 1.00 22.11 H new ATOM 0 HH21 ARG A 56 -1.532 -25.057 14.924 1.00 61.11 H new ATOM 0 HH22 ARG A 56 -1.510 -26.161 16.304 1.00 61.11 H new ATOM 853 N MET A 57 0.161 -31.241 8.400 1.00 20.32 N ATOM 854 CA MET A 57 -0.643 -32.049 7.490 1.00 41.41 C ATOM 855 C MET A 57 0.062 -33.361 7.160 1.00 13.33 C ATOM 856 O MET A 57 1.277 -33.495 7.308 1.00 14.14 O ATOM 857 CB MET A 57 -0.929 -31.272 6.203 1.00 61.51 C ATOM 858 CG MET A 57 0.254 -30.453 5.712 1.00 74.10 C ATOM 859 SD MET A 57 -0.189 -29.326 4.376 1.00 71.33 S ATOM 860 CE MET A 57 0.770 -27.880 4.820 1.00 20.43 C ATOM 0 H MET A 57 1.080 -31.630 8.609 1.00 20.32 H new ATOM 0 HA MET A 57 -1.587 -32.279 7.985 1.00 41.41 H new ATOM 0 HB2 MET A 57 -1.224 -31.974 5.423 1.00 61.51 H new ATOM 0 HB3 MET A 57 -1.776 -30.607 6.370 1.00 61.51 H new ATOM 0 HG2 MET A 57 0.665 -29.881 6.544 1.00 74.10 H new ATOM 0 HG3 MET A 57 1.040 -31.126 5.369 1.00 74.10 H new ATOM 0 HE1 MET A 57 1.059 -27.344 3.916 1.00 20.43 H new ATOM 0 HE2 MET A 57 0.171 -27.226 5.454 1.00 20.43 H new ATOM 0 HE3 MET A 57 1.665 -28.189 5.361 1.00 20.43 H new ATOM 870 N PRO A 58 -0.716 -34.353 6.703 1.00 55.22 N ATOM 871 CA PRO A 58 -0.188 -35.672 6.343 1.00 43.23 C ATOM 872 C PRO A 58 0.667 -35.629 5.081 1.00 45.20 C ATOM 873 O PRO A 58 1.782 -36.150 5.056 1.00 14.04 O ATOM 874 CB PRO A 58 -1.449 -36.507 6.106 1.00 5.10 C ATOM 875 CG PRO A 58 -2.495 -35.515 5.733 1.00 14.20 C ATOM 876 CD PRO A 58 -2.172 -34.263 6.501 1.00 34.23 C ATOM 0 HA PRO A 58 0.466 -36.074 7.117 1.00 43.23 H new ATOM 0 HB2 PRO A 58 -1.296 -37.239 5.313 1.00 5.10 H new ATOM 0 HB3 PRO A 58 -1.731 -37.062 7.001 1.00 5.10 H new ATOM 0 HG2 PRO A 58 -2.489 -35.327 4.659 1.00 14.20 H new ATOM 0 HG3 PRO A 58 -3.489 -35.883 5.986 1.00 14.20 H new ATOM 0 HD2 PRO A 58 -2.446 -33.367 5.943 1.00 34.23 H new ATOM 0 HD3 PRO A 58 -2.708 -34.224 7.449 1.00 34.23 H new ATOM 884 N GLY A 59 0.138 -35.003 4.034 1.00 63.23 N ATOM 885 CA GLY A 59 0.867 -34.904 2.783 1.00 43.31 C ATOM 886 C GLY A 59 1.788 -33.700 2.743 1.00 71.24 C ATOM 887 O GLY A 59 1.328 -32.559 2.746 1.00 43.44 O ATOM 0 H GLY A 59 -0.782 -34.563 4.030 1.00 63.23 H new ATOM 0 HA2 GLY A 59 1.453 -35.811 2.635 1.00 43.31 H new ATOM 0 HA3 GLY A 59 0.159 -34.843 1.957 1.00 43.31 H new ATOM 891 N MET A 60 3.092 -33.955 2.706 1.00 33.34 N ATOM 892 CA MET A 60 4.079 -32.883 2.666 1.00 41.10 C ATOM 893 C MET A 60 4.024 -32.045 3.939 1.00 11.14 C ATOM 894 O MET A 60 3.335 -31.026 3.994 1.00 73.21 O ATOM 895 CB MET A 60 3.846 -31.992 1.445 1.00 52.44 C ATOM 896 CG MET A 60 3.694 -32.768 0.146 1.00 2.52 C ATOM 897 SD MET A 60 1.989 -32.818 -0.437 1.00 71.54 S ATOM 898 CE MET A 60 1.740 -31.108 -0.906 1.00 42.21 C ATOM 0 H MET A 60 3.489 -34.894 2.703 1.00 33.34 H new ATOM 0 HA MET A 60 5.068 -33.336 2.593 1.00 41.10 H new ATOM 0 HB2 MET A 60 2.950 -31.393 1.608 1.00 52.44 H new ATOM 0 HB3 MET A 60 4.680 -31.297 1.348 1.00 52.44 H new ATOM 0 HG2 MET A 60 4.323 -32.314 -0.620 1.00 2.52 H new ATOM 0 HG3 MET A 60 4.054 -33.786 0.291 1.00 2.52 H new ATOM 0 HE1 MET A 60 0.739 -30.986 -1.321 1.00 42.21 H new ATOM 0 HE2 MET A 60 1.849 -30.470 -0.029 1.00 42.21 H new ATOM 0 HE3 MET A 60 2.480 -30.825 -1.655 1.00 42.21 H new ATOM 908 N ASP A 61 4.753 -32.480 4.961 1.00 63.33 N ATOM 909 CA ASP A 61 4.788 -31.770 6.234 1.00 53.54 C ATOM 910 C ASP A 61 5.083 -30.288 6.021 1.00 72.01 C ATOM 911 O ASP A 61 4.723 -29.448 6.845 1.00 21.41 O ATOM 912 CB ASP A 61 5.841 -32.384 7.157 1.00 35.41 C ATOM 913 CG ASP A 61 7.251 -32.191 6.636 1.00 22.35 C ATOM 914 OD1 ASP A 61 7.477 -32.428 5.431 1.00 33.30 O ATOM 915 OD2 ASP A 61 8.129 -31.802 7.434 1.00 25.31 O ATOM 0 H ASP A 61 5.328 -33.322 4.932 1.00 63.33 H new ATOM 0 HA ASP A 61 3.808 -31.864 6.701 1.00 53.54 H new ATOM 0 HB2 ASP A 61 5.758 -31.935 8.147 1.00 35.41 H new ATOM 0 HB3 ASP A 61 5.642 -33.449 7.272 1.00 35.41 H new ATOM 920 N GLY A 62 5.741 -29.974 4.909 1.00 23.41 N ATOM 921 CA GLY A 62 6.075 -28.594 4.609 1.00 72.32 C ATOM 922 C GLY A 62 7.418 -28.459 3.920 1.00 62.22 C ATOM 923 O GLY A 62 7.720 -27.421 3.330 1.00 42.11 O ATOM 0 H GLY A 62 6.049 -30.651 4.211 1.00 23.41 H new ATOM 0 HA2 GLY A 62 5.300 -28.166 3.974 1.00 72.32 H new ATOM 0 HA3 GLY A 62 6.085 -28.017 5.533 1.00 72.32 H new ATOM 927 N LEU A 63 8.228 -29.509 3.995 1.00 20.51 N ATOM 928 CA LEU A 63 9.548 -29.504 3.375 1.00 44.51 C ATOM 929 C LEU A 63 9.461 -29.896 1.903 1.00 13.25 C ATOM 930 O LEU A 63 10.324 -29.538 1.103 1.00 51.41 O ATOM 931 CB LEU A 63 10.485 -30.460 4.115 1.00 63.15 C ATOM 932 CG LEU A 63 11.292 -29.855 5.264 1.00 52.20 C ATOM 933 CD1 LEU A 63 10.376 -29.114 6.227 1.00 64.45 C ATOM 934 CD2 LEU A 63 12.074 -30.937 5.994 1.00 11.44 C ATOM 0 H LEU A 63 7.994 -30.375 4.479 1.00 20.51 H new ATOM 0 HA LEU A 63 9.948 -28.492 3.439 1.00 44.51 H new ATOM 0 HB2 LEU A 63 9.892 -31.285 4.509 1.00 63.15 H new ATOM 0 HB3 LEU A 63 11.182 -30.885 3.393 1.00 63.15 H new ATOM 0 HG LEU A 63 12.002 -29.140 4.848 1.00 52.20 H new ATOM 0 HD11 LEU A 63 10.968 -28.690 7.038 1.00 64.45 H new ATOM 0 HD12 LEU A 63 9.861 -28.313 5.696 1.00 64.45 H new ATOM 0 HD13 LEU A 63 9.642 -29.807 6.637 1.00 64.45 H new ATOM 0 HD21 LEU A 63 12.642 -30.488 6.809 1.00 11.44 H new ATOM 0 HD22 LEU A 63 11.382 -31.676 6.398 1.00 11.44 H new ATOM 0 HD23 LEU A 63 12.758 -31.423 5.299 1.00 11.44 H new ATOM 946 N ALA A 64 8.411 -30.632 1.554 1.00 31.13 N ATOM 947 CA ALA A 64 8.208 -31.069 0.179 1.00 71.23 C ATOM 948 C ALA A 64 8.255 -29.888 -0.785 1.00 72.41 C ATOM 949 O ALA A 64 9.044 -29.877 -1.731 1.00 1.53 O ATOM 950 CB ALA A 64 6.883 -31.806 0.049 1.00 23.51 C ATOM 0 H ALA A 64 7.688 -30.938 2.205 1.00 31.13 H new ATOM 0 HA ALA A 64 9.017 -31.751 -0.082 1.00 71.23 H new ATOM 0 HB1 ALA A 64 6.745 -32.127 -0.984 1.00 23.51 H new ATOM 0 HB2 ALA A 64 6.886 -32.678 0.702 1.00 23.51 H new ATOM 0 HB3 ALA A 64 6.068 -31.142 0.335 1.00 23.51 H new ATOM 956 N LEU A 65 7.405 -28.897 -0.541 1.00 31.24 N ATOM 957 CA LEU A 65 7.349 -27.711 -1.388 1.00 11.13 C ATOM 958 C LEU A 65 8.468 -26.737 -1.035 1.00 45.34 C ATOM 959 O LEU A 65 9.012 -26.057 -1.907 1.00 55.31 O ATOM 960 CB LEU A 65 5.992 -27.020 -1.243 1.00 32.14 C ATOM 961 CG LEU A 65 5.802 -26.172 0.016 1.00 75.05 C ATOM 962 CD1 LEU A 65 4.627 -25.221 -0.154 1.00 73.33 C ATOM 963 CD2 LEU A 65 5.598 -27.062 1.233 1.00 61.11 C ATOM 0 H LEU A 65 6.745 -28.891 0.237 1.00 31.24 H new ATOM 0 HA LEU A 65 7.480 -28.027 -2.423 1.00 11.13 H new ATOM 0 HB2 LEU A 65 5.836 -26.382 -2.113 1.00 32.14 H new ATOM 0 HB3 LEU A 65 5.214 -27.783 -1.264 1.00 32.14 H new ATOM 0 HG LEU A 65 6.704 -25.580 0.171 1.00 75.05 H new ATOM 0 HD11 LEU A 65 4.507 -24.626 0.751 1.00 73.33 H new ATOM 0 HD12 LEU A 65 4.813 -24.560 -1.001 1.00 73.33 H new ATOM 0 HD13 LEU A 65 3.718 -25.795 -0.335 1.00 73.33 H new ATOM 0 HD21 LEU A 65 5.465 -26.442 2.119 1.00 61.11 H new ATOM 0 HD22 LEU A 65 4.713 -27.681 1.087 1.00 61.11 H new ATOM 0 HD23 LEU A 65 6.470 -27.702 1.366 1.00 61.11 H new ATOM 975 N LEU A 66 8.811 -26.676 0.247 1.00 54.33 N ATOM 976 CA LEU A 66 9.868 -25.786 0.715 1.00 70.31 C ATOM 977 C LEU A 66 11.189 -26.097 0.018 1.00 12.40 C ATOM 978 O LEU A 66 11.841 -25.205 -0.526 1.00 21.04 O ATOM 979 CB LEU A 66 10.035 -25.914 2.230 1.00 23.00 C ATOM 980 CG LEU A 66 9.354 -24.836 3.074 1.00 45.32 C ATOM 981 CD1 LEU A 66 10.118 -23.524 2.981 1.00 4.01 C ATOM 982 CD2 LEU A 66 7.910 -24.646 2.633 1.00 63.30 C ATOM 0 H LEU A 66 8.373 -27.232 0.981 1.00 54.33 H new ATOM 0 HA LEU A 66 9.582 -24.762 0.472 1.00 70.31 H new ATOM 0 HB2 LEU A 66 9.648 -26.886 2.537 1.00 23.00 H new ATOM 0 HB3 LEU A 66 11.100 -25.908 2.460 1.00 23.00 H new ATOM 0 HG LEU A 66 9.355 -25.161 4.114 1.00 45.32 H new ATOM 0 HD11 LEU A 66 9.619 -22.769 3.588 1.00 4.01 H new ATOM 0 HD12 LEU A 66 11.135 -23.669 3.346 1.00 4.01 H new ATOM 0 HD13 LEU A 66 10.148 -23.193 1.943 1.00 4.01 H new ATOM 0 HD21 LEU A 66 7.441 -23.875 3.245 1.00 63.30 H new ATOM 0 HD22 LEU A 66 7.886 -24.343 1.586 1.00 63.30 H new ATOM 0 HD23 LEU A 66 7.367 -25.584 2.752 1.00 63.30 H new ATOM 994 N LYS A 67 11.577 -27.367 0.036 1.00 60.20 N ATOM 995 CA LYS A 67 12.818 -27.798 -0.597 1.00 2.52 C ATOM 996 C LYS A 67 12.887 -27.316 -2.043 1.00 21.34 C ATOM 997 O LYS A 67 13.965 -27.014 -2.554 1.00 53.21 O ATOM 998 CB LYS A 67 12.937 -29.323 -0.549 1.00 53.55 C ATOM 999 CG LYS A 67 13.839 -29.828 0.563 1.00 35.32 C ATOM 1000 CD LYS A 67 13.086 -29.952 1.878 1.00 45.13 C ATOM 1001 CE LYS A 67 13.973 -30.519 2.976 1.00 71.53 C ATOM 1002 NZ LYS A 67 14.568 -29.446 3.819 1.00 51.32 N ATOM 0 H LYS A 67 11.049 -28.117 0.483 1.00 60.20 H new ATOM 0 HA LYS A 67 13.649 -27.358 -0.046 1.00 2.52 H new ATOM 0 HB2 LYS A 67 11.943 -29.753 -0.423 1.00 53.55 H new ATOM 0 HB3 LYS A 67 13.319 -29.679 -1.506 1.00 53.55 H new ATOM 0 HG2 LYS A 67 14.252 -30.798 0.286 1.00 35.32 H new ATOM 0 HG3 LYS A 67 14.681 -29.147 0.687 1.00 35.32 H new ATOM 0 HD2 LYS A 67 12.713 -28.973 2.179 1.00 45.13 H new ATOM 0 HD3 LYS A 67 12.217 -30.596 1.742 1.00 45.13 H new ATOM 0 HE2 LYS A 67 13.388 -31.192 3.604 1.00 71.53 H new ATOM 0 HE3 LYS A 67 14.770 -31.113 2.528 1.00 71.53 H new ATOM 0 HZ1 LYS A 67 15.597 -29.420 3.673 1.00 51.32 H new ATOM 0 HZ2 LYS A 67 14.157 -28.528 3.554 1.00 51.32 H new ATOM 0 HZ3 LYS A 67 14.366 -29.639 4.821 1.00 51.32 H new ATOM 1016 N GLN A 68 11.731 -27.247 -2.694 1.00 73.12 N ATOM 1017 CA GLN A 68 11.661 -26.802 -4.081 1.00 4.41 C ATOM 1018 C GLN A 68 11.557 -25.282 -4.160 1.00 22.11 C ATOM 1019 O GLN A 68 11.913 -24.678 -5.172 1.00 4.20 O ATOM 1020 CB GLN A 68 10.465 -27.444 -4.786 1.00 25.01 C ATOM 1021 CG GLN A 68 9.279 -26.508 -4.946 1.00 53.40 C ATOM 1022 CD GLN A 68 7.960 -27.249 -5.051 1.00 45.23 C ATOM 1023 OE1 GLN A 68 6.930 -26.720 -4.402 1.00 20.04 O flip ATOM 1024 NE2 GLN A 68 7.869 -28.286 -5.709 1.00 50.42 N flip ATOM 0 H GLN A 68 10.830 -27.493 -2.284 1.00 73.12 H new ATOM 0 HA GLN A 68 12.578 -27.112 -4.582 1.00 4.41 H new ATOM 0 HB2 GLN A 68 10.778 -27.792 -5.770 1.00 25.01 H new ATOM 0 HB3 GLN A 68 10.150 -28.323 -4.223 1.00 25.01 H new ATOM 0 HG2 GLN A 68 9.242 -25.826 -4.096 1.00 53.40 H new ATOM 0 HG3 GLN A 68 9.420 -25.898 -5.838 1.00 53.40 H new ATOM 0 HE21 GLN A 68 8.687 -28.657 -6.192 1.00 50.42 H new ATOM 0 HE22 GLN A 68 6.975 -28.774 -5.771 1.00 50.42 H new ATOM 1033 N ILE A 69 11.067 -24.671 -3.087 1.00 31.12 N ATOM 1034 CA ILE A 69 10.917 -23.222 -3.035 1.00 72.21 C ATOM 1035 C ILE A 69 12.273 -22.533 -2.927 1.00 15.42 C ATOM 1036 O ILE A 69 12.449 -21.408 -3.396 1.00 63.23 O ATOM 1037 CB ILE A 69 10.037 -22.789 -1.848 1.00 31.34 C ATOM 1038 CG1 ILE A 69 8.563 -23.071 -2.147 1.00 41.23 C ATOM 1039 CG2 ILE A 69 10.248 -21.314 -1.542 1.00 24.03 C ATOM 1040 CD1 ILE A 69 7.708 -23.202 -0.906 1.00 44.32 C ATOM 0 H ILE A 69 10.767 -25.157 -2.242 1.00 31.12 H new ATOM 0 HA ILE A 69 10.432 -22.921 -3.964 1.00 72.21 H new ATOM 0 HB ILE A 69 10.327 -23.367 -0.971 1.00 31.34 H new ATOM 0 HG12 ILE A 69 8.167 -22.268 -2.768 1.00 41.23 H new ATOM 0 HG13 ILE A 69 8.488 -23.990 -2.728 1.00 41.23 H new ATOM 0 HG21 ILE A 69 9.619 -21.023 -0.701 1.00 24.03 H new ATOM 0 HG22 ILE A 69 11.294 -21.141 -1.290 1.00 24.03 H new ATOM 0 HG23 ILE A 69 9.982 -20.719 -2.416 1.00 24.03 H new ATOM 0 HD11 ILE A 69 6.676 -23.401 -1.195 1.00 44.32 H new ATOM 0 HD12 ILE A 69 8.079 -24.024 -0.294 1.00 44.32 H new ATOM 0 HD13 ILE A 69 7.752 -22.275 -0.334 1.00 44.32 H new ATOM 1052 N LYS A 70 13.229 -23.215 -2.306 1.00 1.40 N ATOM 1053 CA LYS A 70 14.571 -22.671 -2.138 1.00 3.52 C ATOM 1054 C LYS A 70 15.382 -22.816 -3.421 1.00 63.34 C ATOM 1055 O LYS A 70 16.302 -22.039 -3.676 1.00 70.20 O ATOM 1056 CB LYS A 70 15.289 -23.377 -0.985 1.00 44.44 C ATOM 1057 CG LYS A 70 14.660 -23.118 0.373 1.00 62.23 C ATOM 1058 CD LYS A 70 14.835 -21.671 0.802 1.00 20.21 C ATOM 1059 CE LYS A 70 13.585 -21.137 1.484 1.00 73.20 C ATOM 1060 NZ LYS A 70 13.741 -19.714 1.893 1.00 52.11 N ATOM 0 H LYS A 70 13.099 -24.146 -1.910 1.00 1.40 H new ATOM 0 HA LYS A 70 14.479 -21.610 -1.906 1.00 3.52 H new ATOM 0 HB2 LYS A 70 15.295 -24.450 -1.175 1.00 44.44 H new ATOM 0 HB3 LYS A 70 16.329 -23.052 -0.962 1.00 44.44 H new ATOM 0 HG2 LYS A 70 13.598 -23.361 0.335 1.00 62.23 H new ATOM 0 HG3 LYS A 70 15.112 -23.776 1.116 1.00 62.23 H new ATOM 0 HD2 LYS A 70 15.684 -21.592 1.482 1.00 20.21 H new ATOM 0 HD3 LYS A 70 15.066 -21.058 -0.069 1.00 20.21 H new ATOM 0 HE2 LYS A 70 12.735 -21.229 0.808 1.00 73.20 H new ATOM 0 HE3 LYS A 70 13.362 -21.745 2.361 1.00 73.20 H new ATOM 0 HZ1 LYS A 70 13.830 -19.658 2.928 1.00 52.11 H new ATOM 0 HZ2 LYS A 70 14.594 -19.317 1.450 1.00 52.11 H new ATOM 0 HZ3 LYS A 70 12.908 -19.172 1.587 1.00 52.11 H new ATOM 1074 N GLN A 71 15.034 -23.815 -4.226 1.00 72.10 N ATOM 1075 CA GLN A 71 15.730 -24.061 -5.484 1.00 12.25 C ATOM 1076 C GLN A 71 15.077 -23.291 -6.627 1.00 13.24 C ATOM 1077 O GLN A 71 15.755 -22.613 -7.399 1.00 22.41 O ATOM 1078 CB GLN A 71 15.740 -25.557 -5.801 1.00 61.12 C ATOM 1079 CG GLN A 71 17.088 -26.067 -6.287 1.00 15.42 C ATOM 1080 CD GLN A 71 17.054 -26.518 -7.734 1.00 12.03 C ATOM 1081 OE1 GLN A 71 16.617 -27.628 -8.040 1.00 3.03 O ATOM 1082 NE2 GLN A 71 17.515 -25.657 -8.633 1.00 65.55 N ATOM 0 H GLN A 71 14.275 -24.467 -4.030 1.00 72.10 H new ATOM 0 HA GLN A 71 16.757 -23.713 -5.376 1.00 12.25 H new ATOM 0 HB2 GLN A 71 15.452 -26.111 -4.908 1.00 61.12 H new ATOM 0 HB3 GLN A 71 14.987 -25.764 -6.561 1.00 61.12 H new ATOM 0 HG2 GLN A 71 17.833 -25.279 -6.173 1.00 15.42 H new ATOM 0 HG3 GLN A 71 17.406 -26.899 -5.658 1.00 15.42 H new ATOM 0 HE21 GLN A 71 17.868 -24.748 -8.334 1.00 65.55 H new ATOM 0 HE22 GLN A 71 17.516 -25.905 -9.622 1.00 65.55 H new ATOM 1091 N ARG A 72 13.756 -23.400 -6.728 1.00 41.25 N ATOM 1092 CA ARG A 72 13.012 -22.715 -7.778 1.00 52.14 C ATOM 1093 C ARG A 72 12.955 -21.213 -7.513 1.00 74.33 C ATOM 1094 O ARG A 72 13.063 -20.405 -8.436 1.00 15.21 O ATOM 1095 CB ARG A 72 11.594 -23.280 -7.879 1.00 72.25 C ATOM 1096 CG ARG A 72 11.106 -23.449 -9.309 1.00 52.30 C ATOM 1097 CD ARG A 72 9.950 -22.510 -9.617 1.00 51.14 C ATOM 1098 NE ARG A 72 9.390 -22.749 -10.945 1.00 35.34 N ATOM 1099 CZ ARG A 72 8.174 -22.359 -11.310 1.00 54.03 C ATOM 1100 NH1 ARG A 72 7.395 -21.714 -10.453 1.00 1.42 N ATOM 1101 NH2 ARG A 72 7.734 -22.614 -12.536 1.00 44.32 N ATOM 0 H ARG A 72 13.180 -23.956 -6.096 1.00 41.25 H new ATOM 0 HA ARG A 72 13.530 -22.880 -8.723 1.00 52.14 H new ATOM 0 HB2 ARG A 72 11.560 -24.246 -7.376 1.00 72.25 H new ATOM 0 HB3 ARG A 72 10.910 -22.619 -7.346 1.00 72.25 H new ATOM 0 HG2 ARG A 72 11.927 -23.257 -10.000 1.00 52.30 H new ATOM 0 HG3 ARG A 72 10.791 -24.480 -9.468 1.00 52.30 H new ATOM 0 HD2 ARG A 72 9.170 -22.637 -8.866 1.00 51.14 H new ATOM 0 HD3 ARG A 72 10.293 -21.478 -9.549 1.00 51.14 H new ATOM 0 HE ARG A 72 9.964 -23.242 -11.629 1.00 35.34 H new ATOM 0 HH11 ARG A 72 7.729 -21.516 -9.510 1.00 1.42 H new ATOM 0 HH12 ARG A 72 6.462 -21.416 -10.737 1.00 1.42 H new ATOM 0 HH21 ARG A 72 8.330 -23.110 -13.199 1.00 44.32 H new ATOM 0 HH22 ARG A 72 6.800 -22.314 -12.815 1.00 44.32 H new ATOM 1115 N HIS A 73 12.784 -20.847 -6.247 1.00 34.21 N ATOM 1116 CA HIS A 73 12.712 -19.443 -5.860 1.00 50.32 C ATOM 1117 C HIS A 73 13.721 -19.130 -4.759 1.00 34.42 C ATOM 1118 O HIS A 73 13.372 -18.985 -3.587 1.00 53.41 O ATOM 1119 CB HIS A 73 11.300 -19.093 -5.389 1.00 1.11 C ATOM 1120 CG HIS A 73 10.220 -19.674 -6.249 1.00 45.44 C ATOM 1121 ND1 HIS A 73 9.833 -19.116 -7.449 1.00 52.24 N ATOM 1122 CD2 HIS A 73 9.446 -20.771 -6.079 1.00 2.44 C ATOM 1123 CE1 HIS A 73 8.866 -19.844 -7.979 1.00 13.44 C ATOM 1124 NE2 HIS A 73 8.613 -20.854 -7.167 1.00 34.14 N ATOM 0 H HIS A 73 12.693 -21.503 -5.472 1.00 34.21 H new ATOM 0 HA HIS A 73 12.955 -18.838 -6.734 1.00 50.32 H new ATOM 0 HB2 HIS A 73 11.169 -19.447 -4.367 1.00 1.11 H new ATOM 0 HB3 HIS A 73 11.192 -18.009 -5.367 1.00 1.11 H new ATOM 0 HD1 HIS A 73 10.231 -18.273 -7.863 1.00 52.24 H new ATOM 0 HD2 HIS A 73 9.478 -21.454 -5.243 1.00 2.44 H new ATOM 0 HE1 HIS A 73 8.368 -19.647 -8.917 1.00 13.44 H new ATOM 1132 N PRO A 74 15.002 -19.026 -5.141 1.00 51.44 N ATOM 1133 CA PRO A 74 16.087 -18.730 -4.201 1.00 41.02 C ATOM 1134 C PRO A 74 16.025 -17.300 -3.675 1.00 61.04 C ATOM 1135 O PRO A 74 16.212 -17.059 -2.483 1.00 50.32 O ATOM 1136 CB PRO A 74 17.350 -18.937 -5.041 1.00 41.50 C ATOM 1137 CG PRO A 74 16.913 -18.706 -6.446 1.00 55.13 C ATOM 1138 CD PRO A 74 15.490 -19.187 -6.521 1.00 71.23 C ATOM 0 HA PRO A 74 16.041 -19.361 -3.313 1.00 41.02 H new ATOM 0 HB2 PRO A 74 18.137 -18.240 -4.751 1.00 41.50 H new ATOM 0 HB3 PRO A 74 17.751 -19.942 -4.911 1.00 41.50 H new ATOM 0 HG2 PRO A 74 16.982 -17.650 -6.708 1.00 55.13 H new ATOM 0 HG3 PRO A 74 17.546 -19.250 -7.146 1.00 55.13 H new ATOM 0 HD2 PRO A 74 14.903 -18.598 -7.226 1.00 71.23 H new ATOM 0 HD3 PRO A 74 15.433 -20.225 -6.849 1.00 71.23 H new ATOM 1146 N MET A 75 15.761 -16.356 -4.572 1.00 40.53 N ATOM 1147 CA MET A 75 15.673 -14.949 -4.197 1.00 73.10 C ATOM 1148 C MET A 75 14.402 -14.679 -3.397 1.00 43.52 C ATOM 1149 O MET A 75 14.218 -13.588 -2.856 1.00 11.41 O ATOM 1150 CB MET A 75 15.702 -14.064 -5.444 1.00 44.43 C ATOM 1151 CG MET A 75 14.518 -14.280 -6.372 1.00 33.13 C ATOM 1152 SD MET A 75 13.634 -12.752 -6.738 1.00 51.20 S ATOM 1153 CE MET A 75 12.241 -12.890 -5.621 1.00 31.23 C ATOM 0 H MET A 75 15.604 -16.539 -5.563 1.00 40.53 H new ATOM 0 HA MET A 75 16.533 -14.711 -3.571 1.00 73.10 H new ATOM 0 HB2 MET A 75 15.726 -13.019 -5.137 1.00 44.43 H new ATOM 0 HB3 MET A 75 16.623 -14.256 -5.994 1.00 44.43 H new ATOM 0 HG2 MET A 75 14.868 -14.725 -7.304 1.00 33.13 H new ATOM 0 HG3 MET A 75 13.830 -14.993 -5.917 1.00 33.13 H new ATOM 0 HE1 MET A 75 11.487 -12.148 -5.886 1.00 31.23 H new ATOM 0 HE2 MET A 75 11.810 -13.888 -5.698 1.00 31.23 H new ATOM 0 HE3 MET A 75 12.576 -12.718 -4.598 1.00 31.23 H new ATOM 1163 N LEU A 76 13.529 -15.677 -3.327 1.00 20.11 N ATOM 1164 CA LEU A 76 12.275 -15.547 -2.593 1.00 1.40 C ATOM 1165 C LEU A 76 12.436 -16.018 -1.151 1.00 62.34 C ATOM 1166 O LEU A 76 12.608 -17.206 -0.877 1.00 24.14 O ATOM 1167 CB LEU A 76 11.171 -16.349 -3.284 1.00 1.11 C ATOM 1168 CG LEU A 76 9.927 -16.640 -2.444 1.00 52.40 C ATOM 1169 CD1 LEU A 76 9.223 -15.345 -2.067 1.00 21.33 C ATOM 1170 CD2 LEU A 76 8.980 -17.564 -3.196 1.00 21.14 C ATOM 0 H LEU A 76 13.666 -16.586 -3.770 1.00 20.11 H new ATOM 0 HA LEU A 76 11.997 -14.493 -2.582 1.00 1.40 H new ATOM 0 HB2 LEU A 76 10.862 -15.808 -4.179 1.00 1.11 H new ATOM 0 HB3 LEU A 76 11.592 -17.299 -3.615 1.00 1.11 H new ATOM 0 HG LEU A 76 10.240 -17.140 -1.527 1.00 52.40 H new ATOM 0 HD11 LEU A 76 8.340 -15.572 -1.469 1.00 21.33 H new ATOM 0 HD12 LEU A 76 9.901 -14.717 -1.489 1.00 21.33 H new ATOM 0 HD13 LEU A 76 8.923 -14.817 -2.972 1.00 21.33 H new ATOM 0 HD21 LEU A 76 8.100 -17.760 -2.583 1.00 21.14 H new ATOM 0 HD22 LEU A 76 8.674 -17.090 -4.129 1.00 21.14 H new ATOM 0 HD23 LEU A 76 9.487 -18.504 -3.415 1.00 21.14 H new ATOM 1182 N PRO A 77 12.377 -15.067 -0.207 1.00 62.53 N ATOM 1183 CA PRO A 77 12.512 -15.362 1.222 1.00 35.24 C ATOM 1184 C PRO A 77 11.309 -16.121 1.773 1.00 23.43 C ATOM 1185 O PRO A 77 10.162 -15.791 1.472 1.00 43.01 O ATOM 1186 CB PRO A 77 12.607 -13.975 1.863 1.00 63.20 C ATOM 1187 CG PRO A 77 11.914 -13.068 0.907 1.00 53.43 C ATOM 1188 CD PRO A 77 12.174 -13.632 -0.463 1.00 2.54 C ATOM 0 HA PRO A 77 13.371 -16.001 1.427 1.00 35.24 H new ATOM 0 HB2 PRO A 77 12.129 -13.958 2.842 1.00 63.20 H new ATOM 0 HB3 PRO A 77 13.645 -13.677 2.010 1.00 63.20 H new ATOM 0 HG2 PRO A 77 10.845 -13.025 1.115 1.00 53.43 H new ATOM 0 HG3 PRO A 77 12.295 -12.050 0.989 1.00 53.43 H new ATOM 0 HD2 PRO A 77 11.334 -13.459 -1.135 1.00 2.54 H new ATOM 0 HD3 PRO A 77 13.051 -13.178 -0.925 1.00 2.54 H new ATOM 1196 N VAL A 78 11.579 -17.141 2.583 1.00 41.32 N ATOM 1197 CA VAL A 78 10.519 -17.946 3.177 1.00 21.23 C ATOM 1198 C VAL A 78 10.738 -18.123 4.676 1.00 71.14 C ATOM 1199 O VAL A 78 11.857 -17.982 5.171 1.00 55.34 O ATOM 1200 CB VAL A 78 10.430 -19.334 2.515 1.00 2.01 C ATOM 1201 CG1 VAL A 78 9.218 -20.095 3.030 1.00 23.14 C ATOM 1202 CG2 VAL A 78 10.381 -19.199 1.001 1.00 61.03 C ATOM 0 H VAL A 78 12.523 -17.429 2.842 1.00 41.32 H new ATOM 0 HA VAL A 78 9.584 -17.411 3.010 1.00 21.23 H new ATOM 0 HB VAL A 78 11.323 -19.901 2.778 1.00 2.01 H new ATOM 0 HG11 VAL A 78 9.172 -21.073 2.551 1.00 23.14 H new ATOM 0 HG12 VAL A 78 9.300 -20.223 4.109 1.00 23.14 H new ATOM 0 HG13 VAL A 78 8.312 -19.535 2.799 1.00 23.14 H new ATOM 0 HG21 VAL A 78 10.318 -20.189 0.549 1.00 61.03 H new ATOM 0 HG22 VAL A 78 9.507 -18.614 0.716 1.00 61.03 H new ATOM 0 HG23 VAL A 78 11.283 -18.697 0.651 1.00 61.03 H new ATOM 1212 N ILE A 79 9.663 -18.434 5.392 1.00 0.43 N ATOM 1213 CA ILE A 79 9.738 -18.632 6.834 1.00 1.44 C ATOM 1214 C ILE A 79 9.045 -19.925 7.248 1.00 23.54 C ATOM 1215 O ILE A 79 8.014 -20.296 6.687 1.00 32.02 O ATOM 1216 CB ILE A 79 9.102 -17.455 7.598 1.00 23.01 C ATOM 1217 CG1 ILE A 79 9.671 -16.126 7.096 1.00 34.10 C ATOM 1218 CG2 ILE A 79 9.336 -17.606 9.094 1.00 63.12 C ATOM 1219 CD1 ILE A 79 8.743 -14.951 7.313 1.00 35.51 C ATOM 0 H ILE A 79 8.730 -18.554 4.997 1.00 0.43 H new ATOM 0 HA ILE A 79 10.796 -18.691 7.089 1.00 1.44 H new ATOM 0 HB ILE A 79 8.027 -17.461 7.416 1.00 23.01 H new ATOM 0 HG12 ILE A 79 10.616 -15.930 7.602 1.00 34.10 H new ATOM 0 HG13 ILE A 79 9.891 -16.213 6.032 1.00 34.10 H new ATOM 0 HG21 ILE A 79 8.881 -16.767 9.620 1.00 63.12 H new ATOM 0 HG22 ILE A 79 8.888 -18.537 9.440 1.00 63.12 H new ATOM 0 HG23 ILE A 79 10.407 -17.622 9.295 1.00 63.12 H new ATOM 0 HD11 ILE A 79 9.211 -14.043 6.933 1.00 35.51 H new ATOM 0 HD12 ILE A 79 7.806 -15.125 6.784 1.00 35.51 H new ATOM 0 HD13 ILE A 79 8.542 -14.838 8.378 1.00 35.51 H new ATOM 1231 N ILE A 80 9.618 -20.607 8.235 1.00 60.34 N ATOM 1232 CA ILE A 80 9.054 -21.858 8.726 1.00 72.31 C ATOM 1233 C ILE A 80 8.376 -21.662 10.078 1.00 72.13 C ATOM 1234 O ILE A 80 8.870 -20.924 10.930 1.00 74.13 O ATOM 1235 CB ILE A 80 10.133 -22.949 8.859 1.00 1.20 C ATOM 1236 CG1 ILE A 80 10.814 -23.191 7.510 1.00 14.11 C ATOM 1237 CG2 ILE A 80 9.522 -24.237 9.389 1.00 74.33 C ATOM 1238 CD1 ILE A 80 10.003 -24.056 6.571 1.00 71.20 C ATOM 0 H ILE A 80 10.472 -20.314 8.710 1.00 60.34 H new ATOM 0 HA ILE A 80 8.313 -22.179 7.993 1.00 72.31 H new ATOM 0 HB ILE A 80 10.887 -22.609 9.569 1.00 1.20 H new ATOM 0 HG12 ILE A 80 11.006 -22.231 7.032 1.00 14.11 H new ATOM 0 HG13 ILE A 80 11.782 -23.662 7.680 1.00 14.11 H new ATOM 0 HG21 ILE A 80 10.297 -24.998 9.477 1.00 74.33 H new ATOM 0 HG22 ILE A 80 9.080 -24.054 10.368 1.00 74.33 H new ATOM 0 HG23 ILE A 80 8.750 -24.583 8.702 1.00 74.33 H new ATOM 0 HD11 ILE A 80 10.546 -24.186 5.635 1.00 71.20 H new ATOM 0 HD12 ILE A 80 9.833 -25.030 7.029 1.00 71.20 H new ATOM 0 HD13 ILE A 80 9.045 -23.577 6.371 1.00 71.20 H new ATOM 1250 N MET A 81 7.242 -22.329 10.267 1.00 22.43 N ATOM 1251 CA MET A 81 6.498 -22.231 11.517 1.00 12.34 C ATOM 1252 C MET A 81 6.323 -23.605 12.156 1.00 0.10 C ATOM 1253 O MET A 81 5.761 -24.517 11.548 1.00 2.03 O ATOM 1254 CB MET A 81 5.130 -21.592 11.272 1.00 54.21 C ATOM 1255 CG MET A 81 5.095 -20.100 11.562 1.00 73.01 C ATOM 1256 SD MET A 81 4.149 -19.176 10.336 1.00 33.11 S ATOM 1257 CE MET A 81 2.591 -20.059 10.375 1.00 14.43 C ATOM 0 H MET A 81 6.819 -22.943 9.571 1.00 22.43 H new ATOM 0 HA MET A 81 7.068 -21.602 12.201 1.00 12.34 H new ATOM 0 HB2 MET A 81 4.841 -21.759 10.234 1.00 54.21 H new ATOM 0 HB3 MET A 81 4.388 -22.092 11.894 1.00 54.21 H new ATOM 0 HG2 MET A 81 4.662 -19.936 12.549 1.00 73.01 H new ATOM 0 HG3 MET A 81 6.115 -19.716 11.593 1.00 73.01 H new ATOM 0 HE1 MET A 81 2.318 -20.361 9.364 1.00 14.43 H new ATOM 0 HE2 MET A 81 2.690 -20.944 11.004 1.00 14.43 H new ATOM 0 HE3 MET A 81 1.815 -19.410 10.781 1.00 14.43 H new ATOM 1267 N THR A 82 6.808 -23.747 13.386 1.00 61.44 N ATOM 1268 CA THR A 82 6.707 -25.010 14.106 1.00 73.43 C ATOM 1269 C THR A 82 7.378 -24.920 15.471 1.00 32.14 C ATOM 1270 O THR A 82 6.736 -24.590 16.468 1.00 2.41 O ATOM 1271 CB THR A 82 7.344 -26.164 13.309 1.00 71.25 C ATOM 1272 OG1 THR A 82 7.710 -27.228 14.194 1.00 2.04 O ATOM 1273 CG2 THR A 82 8.572 -25.684 12.549 1.00 33.14 C ATOM 0 H THR A 82 7.275 -23.002 13.904 1.00 61.44 H new ATOM 0 HA THR A 82 5.644 -25.213 14.239 1.00 73.43 H new ATOM 0 HB THR A 82 6.610 -26.527 12.590 1.00 71.25 H new ATOM 0 HG1 THR A 82 6.963 -27.857 14.276 1.00 2.04 H new ATOM 0 HG21 THR A 82 9.005 -26.516 11.994 1.00 33.14 H new ATOM 0 HG22 THR A 82 8.284 -24.895 11.854 1.00 33.14 H new ATOM 0 HG23 THR A 82 9.308 -25.297 13.254 1.00 33.14 H new ATOM 1281 N ALA A 83 8.673 -25.215 15.510 1.00 61.32 N ATOM 1282 CA ALA A 83 9.432 -25.165 16.753 1.00 14.54 C ATOM 1283 C ALA A 83 8.890 -26.166 17.768 1.00 64.21 C ATOM 1284 O ALA A 83 8.273 -25.785 18.763 1.00 21.30 O ATOM 1285 CB ALA A 83 9.404 -23.757 17.332 1.00 75.44 C ATOM 0 H ALA A 83 9.219 -25.491 14.694 1.00 61.32 H new ATOM 0 HA ALA A 83 10.464 -25.435 16.531 1.00 14.54 H new ATOM 0 HB1 ALA A 83 9.975 -23.734 18.260 1.00 75.44 H new ATOM 0 HB2 ALA A 83 9.844 -23.061 16.618 1.00 75.44 H new ATOM 0 HB3 ALA A 83 8.373 -23.467 17.533 1.00 75.44 H new ATOM 1291 N HIS A 84 9.125 -27.449 17.509 1.00 0.22 N ATOM 1292 CA HIS A 84 8.660 -28.506 18.401 1.00 45.15 C ATOM 1293 C HIS A 84 9.102 -29.876 17.895 1.00 74.04 C ATOM 1294 O HIS A 84 9.408 -30.770 18.683 1.00 71.41 O ATOM 1295 CB HIS A 84 7.137 -28.462 18.527 1.00 24.34 C ATOM 1296 CG HIS A 84 6.423 -28.630 17.222 1.00 34.11 C ATOM 1297 ND1 HIS A 84 6.201 -29.859 16.638 1.00 60.31 N ATOM 1298 CD2 HIS A 84 5.876 -27.715 16.388 1.00 45.23 C ATOM 1299 CE1 HIS A 84 5.551 -29.693 15.500 1.00 42.22 C ATOM 1300 NE2 HIS A 84 5.342 -28.400 15.325 1.00 75.40 N ATOM 0 H HIS A 84 9.634 -27.781 16.690 1.00 0.22 H new ATOM 0 HA HIS A 84 9.103 -28.341 19.383 1.00 45.15 H new ATOM 0 HB2 HIS A 84 6.815 -29.246 19.212 1.00 24.34 H new ATOM 0 HB3 HIS A 84 6.845 -27.511 18.972 1.00 24.34 H new ATOM 0 HD2 HIS A 84 5.862 -26.645 16.532 1.00 45.23 H new ATOM 0 HE1 HIS A 84 5.243 -30.480 14.827 1.00 42.22 H new ATOM 0 HE2 HIS A 84 4.862 -27.979 14.529 1.00 75.40 H new ATOM 1308 N SER A 85 9.131 -30.033 16.575 1.00 33.11 N ATOM 1309 CA SER A 85 9.530 -31.296 15.964 1.00 12.42 C ATOM 1310 C SER A 85 9.912 -31.094 14.501 1.00 25.11 C ATOM 1311 O SER A 85 9.757 -31.996 13.677 1.00 13.24 O ATOM 1312 CB SER A 85 8.397 -32.319 16.071 1.00 42.53 C ATOM 1313 OG SER A 85 8.850 -33.618 15.732 1.00 40.11 O ATOM 0 H SER A 85 8.883 -29.302 15.909 1.00 33.11 H new ATOM 0 HA SER A 85 10.401 -31.672 16.500 1.00 12.42 H new ATOM 0 HB2 SER A 85 8.000 -32.322 17.086 1.00 42.53 H new ATOM 0 HB3 SER A 85 7.579 -32.031 15.410 1.00 42.53 H new ATOM 0 HG SER A 85 9.357 -33.579 14.894 1.00 40.11 H new ATOM 1319 N ASP A 86 10.414 -29.905 14.186 1.00 72.02 N ATOM 1320 CA ASP A 86 10.820 -29.584 12.823 1.00 43.33 C ATOM 1321 C ASP A 86 12.071 -28.711 12.820 1.00 2.52 C ATOM 1322 O ASP A 86 12.964 -28.888 11.990 1.00 31.43 O ATOM 1323 CB ASP A 86 9.686 -28.873 12.083 1.00 14.25 C ATOM 1324 CG ASP A 86 8.816 -29.833 11.296 1.00 22.42 C ATOM 1325 OD1 ASP A 86 7.852 -30.373 11.878 1.00 52.33 O ATOM 1326 OD2 ASP A 86 9.101 -30.047 10.099 1.00 52.41 O ATOM 0 H ASP A 86 10.549 -29.148 14.856 1.00 72.02 H new ATOM 0 HA ASP A 86 11.049 -30.518 12.310 1.00 43.33 H new ATOM 0 HB2 ASP A 86 9.069 -28.334 12.802 1.00 14.25 H new ATOM 0 HB3 ASP A 86 10.108 -28.131 11.405 1.00 14.25 H new ATOM 1331 N LEU A 87 12.129 -27.766 13.753 1.00 61.31 N ATOM 1332 CA LEU A 87 13.270 -26.864 13.858 1.00 4.12 C ATOM 1333 C LEU A 87 14.580 -27.645 13.907 1.00 74.13 C ATOM 1334 O LEU A 87 15.549 -27.294 13.234 1.00 51.14 O ATOM 1335 CB LEU A 87 13.140 -25.988 15.105 1.00 14.23 C ATOM 1336 CG LEU A 87 12.713 -24.539 14.866 1.00 35.21 C ATOM 1337 CD1 LEU A 87 11.367 -24.489 14.159 1.00 31.13 C ATOM 1338 CD2 LEU A 87 12.655 -23.776 16.181 1.00 31.04 C ATOM 0 H LEU A 87 11.399 -27.605 14.447 1.00 61.31 H new ATOM 0 HA LEU A 87 13.280 -26.228 12.973 1.00 4.12 H new ATOM 0 HB2 LEU A 87 12.418 -26.452 15.777 1.00 14.23 H new ATOM 0 HB3 LEU A 87 14.099 -25.982 15.622 1.00 14.23 H new ATOM 0 HG LEU A 87 13.455 -24.063 14.225 1.00 35.21 H new ATOM 0 HD11 LEU A 87 11.079 -23.450 13.997 1.00 31.13 H new ATOM 0 HD12 LEU A 87 11.441 -24.999 13.198 1.00 31.13 H new ATOM 0 HD13 LEU A 87 10.614 -24.982 14.774 1.00 31.13 H new ATOM 0 HD21 LEU A 87 12.349 -22.747 15.991 1.00 31.04 H new ATOM 0 HD22 LEU A 87 11.934 -24.252 16.846 1.00 31.04 H new ATOM 0 HD23 LEU A 87 13.640 -23.782 16.649 1.00 31.04 H new ATOM 1350 N ASP A 88 14.600 -28.707 14.705 1.00 12.51 N ATOM 1351 CA ASP A 88 15.789 -29.540 14.839 1.00 31.10 C ATOM 1352 C ASP A 88 16.403 -29.834 13.474 1.00 42.21 C ATOM 1353 O ASP A 88 17.620 -29.763 13.301 1.00 15.34 O ATOM 1354 CB ASP A 88 15.442 -30.850 15.549 1.00 43.14 C ATOM 1355 CG ASP A 88 16.135 -30.982 16.891 1.00 62.34 C ATOM 1356 OD1 ASP A 88 16.309 -29.951 17.573 1.00 1.22 O ATOM 1357 OD2 ASP A 88 16.503 -32.117 17.259 1.00 73.44 O ATOM 0 H ASP A 88 13.806 -29.011 15.269 1.00 12.51 H new ATOM 0 HA ASP A 88 16.520 -28.994 15.436 1.00 31.10 H new ATOM 0 HB2 ASP A 88 14.363 -30.907 15.693 1.00 43.14 H new ATOM 0 HB3 ASP A 88 15.723 -31.690 14.914 1.00 43.14 H new ATOM 1362 N ALA A 89 15.553 -30.165 12.507 1.00 4.02 N ATOM 1363 CA ALA A 89 16.012 -30.469 11.157 1.00 5.45 C ATOM 1364 C ALA A 89 16.101 -29.204 10.310 1.00 13.21 C ATOM 1365 O ALA A 89 17.045 -29.025 9.542 1.00 40.13 O ATOM 1366 CB ALA A 89 15.087 -31.483 10.501 1.00 3.40 C ATOM 0 H ALA A 89 14.543 -30.229 12.634 1.00 4.02 H new ATOM 0 HA ALA A 89 17.011 -30.898 11.227 1.00 5.45 H new ATOM 0 HB1 ALA A 89 15.442 -31.701 9.494 1.00 3.40 H new ATOM 0 HB2 ALA A 89 15.078 -32.401 11.089 1.00 3.40 H new ATOM 0 HB3 ALA A 89 14.078 -31.075 10.450 1.00 3.40 H new ATOM 1372 N ALA A 90 15.110 -28.330 10.455 1.00 2.32 N ATOM 1373 CA ALA A 90 15.077 -27.081 9.704 1.00 61.11 C ATOM 1374 C ALA A 90 16.310 -26.233 9.995 1.00 43.51 C ATOM 1375 O ALA A 90 16.660 -25.341 9.221 1.00 73.11 O ATOM 1376 CB ALA A 90 13.810 -26.303 10.028 1.00 23.33 C ATOM 0 H ALA A 90 14.320 -28.464 11.086 1.00 2.32 H new ATOM 0 HA ALA A 90 15.078 -27.325 8.642 1.00 61.11 H new ATOM 0 HB1 ALA A 90 13.799 -25.373 9.460 1.00 23.33 H new ATOM 0 HB2 ALA A 90 12.938 -26.901 9.762 1.00 23.33 H new ATOM 0 HB3 ALA A 90 13.784 -26.078 11.094 1.00 23.33 H new ATOM 1382 N VAL A 91 16.966 -26.515 11.116 1.00 1.32 N ATOM 1383 CA VAL A 91 18.161 -25.777 11.509 1.00 31.43 C ATOM 1384 C VAL A 91 19.291 -25.988 10.508 1.00 51.02 C ATOM 1385 O VAL A 91 19.835 -25.029 9.960 1.00 61.53 O ATOM 1386 CB VAL A 91 18.645 -26.199 12.909 1.00 3.03 C ATOM 1387 CG1 VAL A 91 20.070 -25.723 13.147 1.00 3.02 C ATOM 1388 CG2 VAL A 91 17.709 -25.661 13.981 1.00 71.42 C ATOM 0 H VAL A 91 16.690 -27.249 11.768 1.00 1.32 H new ATOM 0 HA VAL A 91 17.890 -24.722 11.529 1.00 31.43 H new ATOM 0 HB VAL A 91 18.636 -27.288 12.964 1.00 3.03 H new ATOM 0 HG11 VAL A 91 20.395 -26.030 14.141 1.00 3.02 H new ATOM 0 HG12 VAL A 91 20.730 -26.161 12.398 1.00 3.02 H new ATOM 0 HG13 VAL A 91 20.108 -24.636 13.073 1.00 3.02 H new ATOM 0 HG21 VAL A 91 18.066 -25.969 14.964 1.00 71.42 H new ATOM 0 HG22 VAL A 91 17.683 -24.573 13.929 1.00 71.42 H new ATOM 0 HG23 VAL A 91 16.706 -26.056 13.820 1.00 71.42 H new ATOM 1398 N SER A 92 19.639 -27.249 10.273 1.00 72.21 N ATOM 1399 CA SER A 92 20.707 -27.586 9.339 1.00 31.32 C ATOM 1400 C SER A 92 20.160 -27.752 7.925 1.00 52.23 C ATOM 1401 O SER A 92 20.910 -27.721 6.950 1.00 51.43 O ATOM 1402 CB SER A 92 21.411 -28.871 9.779 1.00 22.13 C ATOM 1403 OG SER A 92 22.285 -29.346 8.769 1.00 14.43 O ATOM 0 H SER A 92 19.197 -28.054 10.716 1.00 72.21 H new ATOM 0 HA SER A 92 21.427 -26.767 9.338 1.00 31.32 H new ATOM 0 HB2 SER A 92 21.974 -28.686 10.694 1.00 22.13 H new ATOM 0 HB3 SER A 92 20.669 -29.635 10.011 1.00 22.13 H new ATOM 0 HG SER A 92 22.724 -30.167 9.076 1.00 14.43 H new ATOM 1409 N ALA A 93 18.847 -27.928 7.822 1.00 55.01 N ATOM 1410 CA ALA A 93 18.197 -28.096 6.528 1.00 63.53 C ATOM 1411 C ALA A 93 17.807 -26.749 5.930 1.00 65.15 C ATOM 1412 O ALA A 93 18.310 -26.358 4.875 1.00 33.25 O ATOM 1413 CB ALA A 93 16.973 -28.990 6.664 1.00 42.23 C ATOM 0 H ALA A 93 18.212 -27.958 8.620 1.00 55.01 H new ATOM 0 HA ALA A 93 18.907 -28.572 5.852 1.00 63.53 H new ATOM 0 HB1 ALA A 93 16.498 -29.107 5.690 1.00 42.23 H new ATOM 0 HB2 ALA A 93 17.276 -29.967 7.039 1.00 42.23 H new ATOM 0 HB3 ALA A 93 16.267 -28.537 7.360 1.00 42.23 H new ATOM 1419 N TYR A 94 16.909 -26.044 6.608 1.00 44.41 N ATOM 1420 CA TYR A 94 16.450 -24.741 6.141 1.00 11.14 C ATOM 1421 C TYR A 94 17.628 -23.801 5.904 1.00 13.41 C ATOM 1422 O TYR A 94 17.590 -22.956 5.010 1.00 1.54 O ATOM 1423 CB TYR A 94 15.486 -24.123 7.156 1.00 61.30 C ATOM 1424 CG TYR A 94 14.487 -23.170 6.540 1.00 71.53 C ATOM 1425 CD1 TYR A 94 13.859 -23.473 5.338 1.00 71.32 C ATOM 1426 CD2 TYR A 94 14.171 -21.967 7.159 1.00 65.25 C ATOM 1427 CE1 TYR A 94 12.946 -22.606 4.770 1.00 13.45 C ATOM 1428 CE2 TYR A 94 13.259 -21.094 6.599 1.00 34.23 C ATOM 1429 CZ TYR A 94 12.649 -21.418 5.405 1.00 14.33 C ATOM 1430 OH TYR A 94 11.740 -20.550 4.844 1.00 33.03 O ATOM 0 H TYR A 94 16.484 -26.352 7.483 1.00 44.41 H new ATOM 0 HA TYR A 94 15.928 -24.885 5.195 1.00 11.14 H new ATOM 0 HB2 TYR A 94 14.947 -24.922 7.665 1.00 61.30 H new ATOM 0 HB3 TYR A 94 16.061 -23.592 7.915 1.00 61.30 H new ATOM 0 HD1 TYR A 94 14.089 -24.403 4.839 1.00 71.32 H new ATOM 0 HD2 TYR A 94 14.647 -21.710 8.094 1.00 65.25 H new ATOM 0 HE1 TYR A 94 12.468 -22.857 3.835 1.00 13.45 H new ATOM 0 HE2 TYR A 94 13.025 -20.163 7.093 1.00 34.23 H new ATOM 0 HH TYR A 94 10.923 -20.537 5.385 1.00 33.03 H new ATOM 1440 N GLN A 95 18.672 -23.956 6.711 1.00 0.34 N ATOM 1441 CA GLN A 95 19.861 -23.121 6.590 1.00 4.10 C ATOM 1442 C GLN A 95 20.545 -23.340 5.244 1.00 0.24 C ATOM 1443 O GLN A 95 21.563 -22.715 4.947 1.00 71.53 O ATOM 1444 CB GLN A 95 20.839 -23.421 7.727 1.00 23.32 C ATOM 1445 CG GLN A 95 21.506 -24.783 7.613 1.00 50.33 C ATOM 1446 CD GLN A 95 22.703 -24.770 6.683 1.00 5.22 C ATOM 1447 OE1 GLN A 95 22.671 -25.357 5.601 1.00 34.14 O ATOM 1448 NE2 GLN A 95 23.770 -24.098 7.101 1.00 41.13 N ATOM 0 H GLN A 95 18.719 -24.652 7.455 1.00 0.34 H new ATOM 0 HA GLN A 95 19.550 -22.078 6.654 1.00 4.10 H new ATOM 0 HB2 GLN A 95 21.609 -22.649 7.746 1.00 23.32 H new ATOM 0 HB3 GLN A 95 20.307 -23.365 8.677 1.00 23.32 H new ATOM 0 HG2 GLN A 95 21.823 -25.112 8.603 1.00 50.33 H new ATOM 0 HG3 GLN A 95 20.779 -25.511 7.253 1.00 50.33 H new ATOM 0 HE21 GLN A 95 23.753 -23.626 8.005 1.00 41.13 H new ATOM 0 HE22 GLN A 95 24.606 -24.054 6.518 1.00 41.13 H new ATOM 1457 N GLN A 96 19.979 -24.230 4.436 1.00 33.34 N ATOM 1458 CA GLN A 96 20.535 -24.532 3.123 1.00 42.32 C ATOM 1459 C GLN A 96 20.219 -23.419 2.129 1.00 14.11 C ATOM 1460 O GLN A 96 20.079 -23.664 0.932 1.00 54.34 O ATOM 1461 CB GLN A 96 19.987 -25.863 2.607 1.00 64.51 C ATOM 1462 CG GLN A 96 20.591 -27.077 3.295 1.00 63.12 C ATOM 1463 CD GLN A 96 21.703 -27.714 2.485 1.00 62.12 C ATOM 1464 OE1 GLN A 96 21.526 -28.034 1.309 1.00 54.41 O ATOM 1465 NE2 GLN A 96 22.859 -27.902 3.111 1.00 60.22 N ATOM 0 H GLN A 96 19.136 -24.755 4.668 1.00 33.34 H new ATOM 0 HA GLN A 96 21.618 -24.608 3.224 1.00 42.32 H new ATOM 0 HB2 GLN A 96 18.906 -25.879 2.744 1.00 64.51 H new ATOM 0 HB3 GLN A 96 20.174 -25.933 1.535 1.00 64.51 H new ATOM 0 HG2 GLN A 96 20.980 -26.781 4.269 1.00 63.12 H new ATOM 0 HG3 GLN A 96 19.809 -27.815 3.474 1.00 63.12 H new ATOM 0 HE21 GLN A 96 22.962 -27.622 4.086 1.00 60.22 H new ATOM 0 HE22 GLN A 96 23.644 -28.326 2.616 1.00 60.22 H new ATOM 1474 N GLY A 97 20.107 -22.194 2.635 1.00 74.30 N ATOM 1475 CA GLY A 97 19.807 -21.062 1.778 1.00 73.30 C ATOM 1476 C GLY A 97 18.421 -20.500 2.024 1.00 12.11 C ATOM 1477 O GLY A 97 17.757 -20.039 1.096 1.00 10.32 O ATOM 0 H GLY A 97 20.219 -21.966 3.623 1.00 74.30 H new ATOM 0 HA2 GLY A 97 20.548 -20.279 1.943 1.00 73.30 H new ATOM 0 HA3 GLY A 97 19.892 -21.367 0.735 1.00 73.30 H new ATOM 1481 N ALA A 98 17.982 -20.539 3.278 1.00 70.40 N ATOM 1482 CA ALA A 98 16.666 -20.029 3.643 1.00 22.42 C ATOM 1483 C ALA A 98 16.778 -18.903 4.665 1.00 22.33 C ATOM 1484 O ALA A 98 17.854 -18.649 5.208 1.00 14.13 O ATOM 1485 CB ALA A 98 15.797 -21.154 4.187 1.00 52.42 C ATOM 0 H ALA A 98 18.519 -20.918 4.058 1.00 70.40 H new ATOM 0 HA ALA A 98 16.198 -19.624 2.746 1.00 22.42 H new ATOM 0 HB1 ALA A 98 14.817 -20.759 4.456 1.00 52.42 H new ATOM 0 HB2 ALA A 98 15.681 -21.925 3.425 1.00 52.42 H new ATOM 0 HB3 ALA A 98 16.269 -21.584 5.070 1.00 52.42 H new ATOM 1491 N PHE A 99 15.661 -18.231 4.923 1.00 43.23 N ATOM 1492 CA PHE A 99 15.635 -17.130 5.879 1.00 72.12 C ATOM 1493 C PHE A 99 15.298 -17.634 7.279 1.00 2.02 C ATOM 1494 O PHE A 99 14.619 -18.648 7.439 1.00 75.00 O ATOM 1495 CB PHE A 99 14.615 -16.075 5.446 1.00 41.35 C ATOM 1496 CG PHE A 99 14.324 -15.052 6.506 1.00 14.20 C ATOM 1497 CD1 PHE A 99 15.170 -13.971 6.696 1.00 75.10 C ATOM 1498 CD2 PHE A 99 13.204 -15.171 7.313 1.00 31.54 C ATOM 1499 CE1 PHE A 99 14.904 -13.028 7.671 1.00 40.32 C ATOM 1500 CE2 PHE A 99 12.933 -14.231 8.289 1.00 21.24 C ATOM 1501 CZ PHE A 99 13.785 -13.159 8.469 1.00 12.32 C ATOM 0 H PHE A 99 14.762 -18.429 4.484 1.00 43.23 H new ATOM 0 HA PHE A 99 16.627 -16.679 5.903 1.00 72.12 H new ATOM 0 HB2 PHE A 99 14.985 -15.568 4.555 1.00 41.35 H new ATOM 0 HB3 PHE A 99 13.686 -16.572 5.167 1.00 41.35 H new ATOM 0 HD1 PHE A 99 16.047 -13.864 6.075 1.00 75.10 H new ATOM 0 HD2 PHE A 99 12.535 -16.008 7.178 1.00 31.54 H new ATOM 0 HE1 PHE A 99 15.571 -12.190 7.808 1.00 40.32 H new ATOM 0 HE2 PHE A 99 12.056 -14.335 8.910 1.00 21.24 H new ATOM 0 HZ PHE A 99 13.576 -12.424 9.233 1.00 12.32 H new ATOM 1511 N ASP A 100 15.779 -16.919 8.290 1.00 2.10 N ATOM 1512 CA ASP A 100 15.530 -17.292 9.678 1.00 73.15 C ATOM 1513 C ASP A 100 14.049 -17.580 9.905 1.00 70.20 C ATOM 1514 O ASP A 100 13.211 -16.682 9.820 1.00 2.22 O ATOM 1515 CB ASP A 100 15.996 -16.180 10.619 1.00 61.42 C ATOM 1516 CG ASP A 100 15.939 -16.594 12.076 1.00 25.12 C ATOM 1517 OD1 ASP A 100 15.573 -17.756 12.350 1.00 73.44 O ATOM 1518 OD2 ASP A 100 16.263 -15.756 12.943 1.00 12.04 O ATOM 0 H ASP A 100 16.344 -16.078 8.175 1.00 2.10 H new ATOM 0 HA ASP A 100 16.096 -18.199 9.892 1.00 73.15 H new ATOM 0 HB2 ASP A 100 17.017 -15.897 10.364 1.00 61.42 H new ATOM 0 HB3 ASP A 100 15.374 -15.297 10.470 1.00 61.42 H new ATOM 1523 N TYR A 101 13.734 -18.838 10.193 1.00 71.01 N ATOM 1524 CA TYR A 101 12.354 -19.245 10.429 1.00 71.41 C ATOM 1525 C TYR A 101 11.812 -18.617 11.709 1.00 32.32 C ATOM 1526 O TYR A 101 12.545 -17.964 12.453 1.00 32.23 O ATOM 1527 CB TYR A 101 12.258 -20.770 10.515 1.00 54.51 C ATOM 1528 CG TYR A 101 13.348 -21.399 11.352 1.00 10.12 C ATOM 1529 CD1 TYR A 101 13.514 -21.052 12.687 1.00 12.03 C ATOM 1530 CD2 TYR A 101 14.212 -22.341 10.808 1.00 30.42 C ATOM 1531 CE1 TYR A 101 14.509 -21.624 13.456 1.00 42.14 C ATOM 1532 CE2 TYR A 101 15.209 -22.920 11.569 1.00 3.34 C ATOM 1533 CZ TYR A 101 15.354 -22.557 12.892 1.00 22.34 C ATOM 1534 OH TYR A 101 16.346 -23.130 13.655 1.00 61.42 O ATOM 0 H TYR A 101 14.415 -19.593 10.269 1.00 71.01 H new ATOM 0 HA TYR A 101 11.750 -18.896 9.591 1.00 71.41 H new ATOM 0 HB2 TYR A 101 11.288 -21.042 10.933 1.00 54.51 H new ATOM 0 HB3 TYR A 101 12.299 -21.186 9.508 1.00 54.51 H new ATOM 0 HD1 TYR A 101 12.854 -20.322 13.131 1.00 12.03 H new ATOM 0 HD2 TYR A 101 14.102 -22.626 9.772 1.00 30.42 H new ATOM 0 HE1 TYR A 101 14.625 -21.342 14.492 1.00 42.14 H new ATOM 0 HE2 TYR A 101 15.871 -23.652 11.131 1.00 3.34 H new ATOM 0 HH TYR A 101 16.057 -23.170 14.591 1.00 61.42 H new ATOM 1544 N LEU A 102 10.523 -18.820 11.960 1.00 42.00 N ATOM 1545 CA LEU A 102 9.880 -18.275 13.151 1.00 45.12 C ATOM 1546 C LEU A 102 9.041 -19.338 13.852 1.00 61.33 C ATOM 1547 O LEU A 102 8.188 -19.989 13.247 1.00 2.14 O ATOM 1548 CB LEU A 102 9.002 -17.079 12.778 1.00 30.32 C ATOM 1549 CG LEU A 102 7.784 -16.838 13.670 1.00 12.33 C ATOM 1550 CD1 LEU A 102 8.208 -16.236 15.001 1.00 54.40 C ATOM 1551 CD2 LEU A 102 6.780 -15.934 12.969 1.00 3.42 C ATOM 0 H LEU A 102 9.903 -19.358 11.355 1.00 42.00 H new ATOM 0 HA LEU A 102 10.661 -17.945 13.837 1.00 45.12 H new ATOM 0 HB2 LEU A 102 9.620 -16.181 12.791 1.00 30.32 H new ATOM 0 HB3 LEU A 102 8.656 -17.213 11.753 1.00 30.32 H new ATOM 0 HG LEU A 102 7.305 -17.797 13.865 1.00 12.33 H new ATOM 0 HD11 LEU A 102 7.328 -16.071 15.623 1.00 54.40 H new ATOM 0 HD12 LEU A 102 8.889 -16.919 15.509 1.00 54.40 H new ATOM 0 HD13 LEU A 102 8.712 -15.285 14.826 1.00 54.40 H new ATOM 0 HD21 LEU A 102 5.920 -15.773 13.619 1.00 3.42 H new ATOM 0 HD22 LEU A 102 7.248 -14.976 12.744 1.00 3.42 H new ATOM 0 HD23 LEU A 102 6.452 -16.404 12.042 1.00 3.42 H new ATOM 1563 N PRO A 103 9.285 -19.519 15.158 1.00 24.21 N ATOM 1564 CA PRO A 103 8.560 -20.501 15.970 1.00 5.24 C ATOM 1565 C PRO A 103 7.106 -20.105 16.197 1.00 14.51 C ATOM 1566 O PRO A 103 6.761 -18.923 16.168 1.00 2.25 O ATOM 1567 CB PRO A 103 9.327 -20.501 17.295 1.00 4.52 C ATOM 1568 CG PRO A 103 9.966 -19.157 17.363 1.00 45.54 C ATOM 1569 CD PRO A 103 10.288 -18.779 15.943 1.00 54.01 C ATOM 0 HA PRO A 103 8.517 -21.477 15.487 1.00 5.24 H new ATOM 0 HB2 PRO A 103 8.658 -20.664 18.140 1.00 4.52 H new ATOM 0 HB3 PRO A 103 10.073 -21.296 17.321 1.00 4.52 H new ATOM 0 HG2 PRO A 103 9.295 -18.428 17.818 1.00 45.54 H new ATOM 0 HG3 PRO A 103 10.868 -19.184 17.974 1.00 45.54 H new ATOM 0 HD2 PRO A 103 10.208 -17.703 15.785 1.00 54.01 H new ATOM 0 HD3 PRO A 103 11.304 -19.067 15.671 1.00 54.01 H new ATOM 1577 N LYS A 104 6.254 -21.100 16.423 1.00 45.42 N ATOM 1578 CA LYS A 104 4.836 -20.856 16.656 1.00 1.35 C ATOM 1579 C LYS A 104 4.381 -21.501 17.961 1.00 33.33 C ATOM 1580 O LYS A 104 4.845 -22.575 18.346 1.00 42.30 O ATOM 1581 CB LYS A 104 4.006 -21.397 15.490 1.00 14.34 C ATOM 1582 CG LYS A 104 4.069 -22.908 15.348 1.00 41.41 C ATOM 1583 CD LYS A 104 2.693 -23.539 15.481 1.00 3.44 C ATOM 1584 CE LYS A 104 2.170 -23.439 16.906 1.00 2.11 C ATOM 1585 NZ LYS A 104 0.983 -24.311 17.123 1.00 21.44 N ATOM 0 H LYS A 104 6.522 -22.084 16.450 1.00 45.42 H new ATOM 0 HA LYS A 104 4.685 -19.779 16.732 1.00 1.35 H new ATOM 0 HB2 LYS A 104 2.967 -21.096 15.624 1.00 14.34 H new ATOM 0 HB3 LYS A 104 4.354 -20.939 14.564 1.00 14.34 H new ATOM 0 HG2 LYS A 104 4.496 -23.166 14.379 1.00 41.41 H new ATOM 0 HG3 LYS A 104 4.733 -23.318 16.108 1.00 41.41 H new ATOM 0 HD2 LYS A 104 1.998 -23.046 14.802 1.00 3.44 H new ATOM 0 HD3 LYS A 104 2.741 -24.586 15.183 1.00 3.44 H new ATOM 0 HE2 LYS A 104 2.959 -23.720 17.603 1.00 2.11 H new ATOM 0 HE3 LYS A 104 1.905 -22.404 17.124 1.00 2.11 H new ATOM 0 HZ1 LYS A 104 0.656 -24.215 18.106 1.00 21.44 H new ATOM 0 HZ2 LYS A 104 0.220 -24.027 16.475 1.00 21.44 H new ATOM 0 HZ3 LYS A 104 1.242 -25.301 16.940 1.00 21.44 H new ATOM 1599 N PRO A 105 3.449 -20.835 18.659 1.00 40.42 N ATOM 1600 CA PRO A 105 2.889 -19.556 18.211 1.00 2.11 C ATOM 1601 C PRO A 105 3.903 -18.420 18.291 1.00 11.51 C ATOM 1602 O PRO A 105 5.054 -18.627 18.676 1.00 13.24 O ATOM 1603 CB PRO A 105 1.735 -19.313 19.187 1.00 3.20 C ATOM 1604 CG PRO A 105 2.111 -20.070 20.414 1.00 73.12 C ATOM 1605 CD PRO A 105 2.871 -21.277 19.939 1.00 72.43 C ATOM 0 HA PRO A 105 2.581 -19.589 17.166 1.00 2.11 H new ATOM 0 HB2 PRO A 105 1.613 -18.251 19.399 1.00 3.20 H new ATOM 0 HB3 PRO A 105 0.789 -19.667 18.778 1.00 3.20 H new ATOM 0 HG2 PRO A 105 2.724 -19.459 21.077 1.00 73.12 H new ATOM 0 HG3 PRO A 105 1.226 -20.363 20.978 1.00 73.12 H new ATOM 0 HD2 PRO A 105 3.644 -21.570 20.649 1.00 72.43 H new ATOM 0 HD3 PRO A 105 2.216 -22.138 19.808 1.00 72.43 H new ATOM 1613 N PHE A 106 3.468 -17.218 17.925 1.00 22.22 N ATOM 1614 CA PHE A 106 4.338 -16.048 17.955 1.00 24.53 C ATOM 1615 C PHE A 106 3.520 -14.763 18.031 1.00 75.23 C ATOM 1616 O PHE A 106 2.291 -14.792 17.960 1.00 72.24 O ATOM 1617 CB PHE A 106 5.236 -16.023 16.717 1.00 43.44 C ATOM 1618 CG PHE A 106 4.475 -16.070 15.423 1.00 54.40 C ATOM 1619 CD1 PHE A 106 3.793 -14.954 14.964 1.00 43.12 C ATOM 1620 CD2 PHE A 106 4.439 -17.230 14.666 1.00 4.13 C ATOM 1621 CE1 PHE A 106 3.092 -14.994 13.774 1.00 53.34 C ATOM 1622 CE2 PHE A 106 3.740 -17.275 13.475 1.00 31.42 C ATOM 1623 CZ PHE A 106 3.064 -16.156 13.029 1.00 62.51 C ATOM 0 H PHE A 106 2.518 -17.029 17.604 1.00 22.22 H new ATOM 0 HA PHE A 106 4.962 -16.113 18.847 1.00 24.53 H new ATOM 0 HB2 PHE A 106 5.845 -15.119 16.738 1.00 43.44 H new ATOM 0 HB3 PHE A 106 5.921 -16.870 16.758 1.00 43.44 H new ATOM 0 HD1 PHE A 106 3.810 -14.043 15.543 1.00 43.12 H new ATOM 0 HD2 PHE A 106 4.963 -18.109 15.011 1.00 4.13 H new ATOM 0 HE1 PHE A 106 2.566 -14.117 13.427 1.00 53.34 H new ATOM 0 HE2 PHE A 106 3.722 -18.185 12.893 1.00 31.42 H new ATOM 0 HZ PHE A 106 2.515 -16.190 12.100 1.00 62.51 H new ATOM 1633 N ASP A 107 4.209 -13.637 18.176 1.00 63.24 N ATOM 1634 CA ASP A 107 3.547 -12.341 18.260 1.00 4.54 C ATOM 1635 C ASP A 107 3.413 -11.708 16.879 1.00 41.41 C ATOM 1636 O ASP A 107 4.410 -11.362 16.244 1.00 2.24 O ATOM 1637 CB ASP A 107 4.325 -11.407 19.189 1.00 12.14 C ATOM 1638 CG ASP A 107 3.740 -11.363 20.588 1.00 42.15 C ATOM 1639 OD1 ASP A 107 3.050 -12.330 20.973 1.00 55.41 O ATOM 1640 OD2 ASP A 107 3.974 -10.362 21.297 1.00 61.23 O ATOM 0 H ASP A 107 5.226 -13.596 18.238 1.00 63.24 H new ATOM 0 HA ASP A 107 2.548 -12.497 18.667 1.00 4.54 H new ATOM 0 HB2 ASP A 107 5.363 -11.735 19.243 1.00 12.14 H new ATOM 0 HB3 ASP A 107 4.329 -10.401 18.768 1.00 12.14 H new ATOM 1645 N ILE A 108 2.175 -11.560 16.419 1.00 22.20 N ATOM 1646 CA ILE A 108 1.911 -10.969 15.113 1.00 23.21 C ATOM 1647 C ILE A 108 2.727 -9.697 14.911 1.00 50.34 C ATOM 1648 O ILE A 108 3.152 -9.390 13.796 1.00 35.04 O ATOM 1649 CB ILE A 108 0.417 -10.641 14.935 1.00 21.40 C ATOM 1650 CG1 ILE A 108 -0.372 -11.914 14.620 1.00 54.42 C ATOM 1651 CG2 ILE A 108 0.229 -9.608 13.834 1.00 31.32 C ATOM 1652 CD1 ILE A 108 -1.813 -11.859 15.077 1.00 33.40 C ATOM 0 H ILE A 108 1.339 -11.841 16.931 1.00 22.20 H new ATOM 0 HA ILE A 108 2.203 -11.708 14.367 1.00 23.21 H new ATOM 0 HB ILE A 108 0.038 -10.222 15.867 1.00 21.40 H new ATOM 0 HG12 ILE A 108 -0.347 -12.091 13.545 1.00 54.42 H new ATOM 0 HG13 ILE A 108 0.119 -12.763 15.095 1.00 54.42 H new ATOM 0 HG21 ILE A 108 -0.832 -9.387 13.720 1.00 31.32 H new ATOM 0 HG22 ILE A 108 0.764 -8.695 14.096 1.00 31.32 H new ATOM 0 HG23 ILE A 108 0.620 -10.001 12.896 1.00 31.32 H new ATOM 0 HD11 ILE A 108 -2.312 -12.794 14.821 1.00 33.40 H new ATOM 0 HD12 ILE A 108 -1.847 -11.713 16.157 1.00 33.40 H new ATOM 0 HD13 ILE A 108 -2.320 -11.030 14.583 1.00 33.40 H new ATOM 1664 N ASP A 109 2.944 -8.961 15.995 1.00 13.21 N ATOM 1665 CA ASP A 109 3.712 -7.722 15.938 1.00 75.42 C ATOM 1666 C ASP A 109 5.098 -7.969 15.351 1.00 72.11 C ATOM 1667 O ASP A 109 5.584 -7.187 14.534 1.00 21.45 O ATOM 1668 CB ASP A 109 3.837 -7.110 17.334 1.00 53.24 C ATOM 1669 CG ASP A 109 4.084 -5.615 17.290 1.00 54.32 C ATOM 1670 OD1 ASP A 109 4.800 -5.159 16.374 1.00 14.41 O ATOM 1671 OD2 ASP A 109 3.561 -4.901 18.172 1.00 45.44 O ATOM 0 H ASP A 109 2.599 -9.201 16.924 1.00 13.21 H new ATOM 0 HA ASP A 109 3.182 -7.024 15.290 1.00 75.42 H new ATOM 0 HB2 ASP A 109 2.925 -7.308 17.898 1.00 53.24 H new ATOM 0 HB3 ASP A 109 4.654 -7.595 17.868 1.00 53.24 H new ATOM 1676 N GLU A 110 5.728 -9.060 15.774 1.00 64.32 N ATOM 1677 CA GLU A 110 7.060 -9.408 15.291 1.00 53.01 C ATOM 1678 C GLU A 110 6.988 -10.033 13.901 1.00 41.14 C ATOM 1679 O GLU A 110 7.906 -9.886 13.095 1.00 42.15 O ATOM 1680 CB GLU A 110 7.742 -10.374 16.262 1.00 44.24 C ATOM 1681 CG GLU A 110 9.249 -10.192 16.342 1.00 72.50 C ATOM 1682 CD GLU A 110 9.989 -11.510 16.463 1.00 24.11 C ATOM 1683 OE1 GLU A 110 9.579 -12.484 15.797 1.00 44.21 O ATOM 1684 OE2 GLU A 110 10.978 -11.568 17.223 1.00 21.05 O ATOM 0 H GLU A 110 5.339 -9.718 16.449 1.00 64.32 H new ATOM 0 HA GLU A 110 7.647 -8.492 15.229 1.00 53.01 H new ATOM 0 HB2 GLU A 110 7.315 -10.239 17.256 1.00 44.24 H new ATOM 0 HB3 GLU A 110 7.524 -11.397 15.957 1.00 44.24 H new ATOM 0 HG2 GLU A 110 9.595 -9.665 15.453 1.00 72.50 H new ATOM 0 HG3 GLU A 110 9.491 -9.564 17.199 1.00 72.50 H new ATOM 1691 N ALA A 111 5.891 -10.731 13.628 1.00 74.11 N ATOM 1692 CA ALA A 111 5.698 -11.377 12.336 1.00 73.33 C ATOM 1693 C ALA A 111 5.573 -10.346 11.219 1.00 11.04 C ATOM 1694 O ALA A 111 6.334 -10.368 10.252 1.00 2.12 O ATOM 1695 CB ALA A 111 4.467 -12.271 12.371 1.00 31.11 C ATOM 0 H ALA A 111 5.122 -10.864 14.285 1.00 74.11 H new ATOM 0 HA ALA A 111 6.575 -11.992 12.131 1.00 73.33 H new ATOM 0 HB1 ALA A 111 4.335 -12.747 11.399 1.00 31.11 H new ATOM 0 HB2 ALA A 111 4.595 -13.037 13.136 1.00 31.11 H new ATOM 0 HB3 ALA A 111 3.588 -11.670 12.603 1.00 31.11 H new ATOM 1701 N VAL A 112 4.607 -9.443 11.359 1.00 23.12 N ATOM 1702 CA VAL A 112 4.383 -8.403 10.362 1.00 1.05 C ATOM 1703 C VAL A 112 5.675 -7.659 10.044 1.00 62.41 C ATOM 1704 O VAL A 112 5.882 -7.208 8.918 1.00 63.32 O ATOM 1705 CB VAL A 112 3.324 -7.390 10.837 1.00 43.11 C ATOM 1706 CG1 VAL A 112 3.371 -6.130 9.986 1.00 60.35 C ATOM 1707 CG2 VAL A 112 1.938 -8.014 10.804 1.00 75.41 C ATOM 0 H VAL A 112 3.967 -9.411 12.153 1.00 23.12 H new ATOM 0 HA VAL A 112 4.022 -8.900 9.461 1.00 1.05 H new ATOM 0 HB VAL A 112 3.548 -7.112 11.867 1.00 43.11 H new ATOM 0 HG11 VAL A 112 2.616 -5.426 10.336 1.00 60.35 H new ATOM 0 HG12 VAL A 112 4.358 -5.674 10.066 1.00 60.35 H new ATOM 0 HG13 VAL A 112 3.173 -6.386 8.945 1.00 60.35 H new ATOM 0 HG21 VAL A 112 1.202 -7.284 11.143 1.00 75.41 H new ATOM 0 HG22 VAL A 112 1.702 -8.322 9.785 1.00 75.41 H new ATOM 0 HG23 VAL A 112 1.915 -8.884 11.460 1.00 75.41 H new ATOM 1717 N ALA A 113 6.542 -7.536 11.044 1.00 42.34 N ATOM 1718 CA ALA A 113 7.816 -6.849 10.869 1.00 0.05 C ATOM 1719 C ALA A 113 8.873 -7.789 10.301 1.00 25.33 C ATOM 1720 O ALA A 113 9.796 -7.357 9.609 1.00 72.14 O ATOM 1721 CB ALA A 113 8.285 -6.263 12.193 1.00 53.40 C ATOM 0 H ALA A 113 6.386 -7.903 11.983 1.00 42.34 H new ATOM 0 HA ALA A 113 7.668 -6.038 10.156 1.00 0.05 H new ATOM 0 HB1 ALA A 113 9.237 -5.753 12.048 1.00 53.40 H new ATOM 0 HB2 ALA A 113 7.544 -5.552 12.559 1.00 53.40 H new ATOM 0 HB3 ALA A 113 8.410 -7.064 12.922 1.00 53.40 H new ATOM 1727 N LEU A 114 8.735 -9.077 10.599 1.00 51.43 N ATOM 1728 CA LEU A 114 9.679 -10.079 10.118 1.00 43.03 C ATOM 1729 C LEU A 114 9.615 -10.203 8.599 1.00 71.22 C ATOM 1730 O LEU A 114 10.640 -10.350 7.933 1.00 22.03 O ATOM 1731 CB LEU A 114 9.388 -11.434 10.764 1.00 23.34 C ATOM 1732 CG LEU A 114 10.252 -12.604 10.290 1.00 11.41 C ATOM 1733 CD1 LEU A 114 11.638 -12.530 10.912 1.00 70.05 C ATOM 1734 CD2 LEU A 114 9.585 -13.930 10.625 1.00 12.33 C ATOM 0 H LEU A 114 7.978 -9.451 11.171 1.00 51.43 H new ATOM 0 HA LEU A 114 10.683 -9.759 10.396 1.00 43.03 H new ATOM 0 HB2 LEU A 114 9.509 -11.333 11.843 1.00 23.34 H new ATOM 0 HB3 LEU A 114 8.343 -11.684 10.582 1.00 23.34 H new ATOM 0 HG LEU A 114 10.358 -12.537 9.207 1.00 11.41 H new ATOM 0 HD11 LEU A 114 12.239 -13.370 10.563 1.00 70.05 H new ATOM 0 HD12 LEU A 114 12.118 -11.596 10.621 1.00 70.05 H new ATOM 0 HD13 LEU A 114 11.552 -12.571 11.998 1.00 70.05 H new ATOM 0 HD21 LEU A 114 10.214 -14.751 10.280 1.00 12.33 H new ATOM 0 HD22 LEU A 114 9.448 -14.006 11.704 1.00 12.33 H new ATOM 0 HD23 LEU A 114 8.615 -13.984 10.131 1.00 12.33 H new ATOM 1746 N VAL A 115 8.403 -10.141 8.056 1.00 61.31 N ATOM 1747 CA VAL A 115 8.205 -10.243 6.615 1.00 32.50 C ATOM 1748 C VAL A 115 8.768 -9.023 5.895 1.00 73.31 C ATOM 1749 O VAL A 115 9.330 -9.138 4.806 1.00 12.04 O ATOM 1750 CB VAL A 115 6.713 -10.391 6.263 1.00 54.41 C ATOM 1751 CG1 VAL A 115 5.904 -9.259 6.879 1.00 3.20 C ATOM 1752 CG2 VAL A 115 6.523 -10.432 4.754 1.00 22.11 C ATOM 0 H VAL A 115 7.544 -10.021 8.592 1.00 61.31 H new ATOM 0 HA VAL A 115 8.739 -11.134 6.284 1.00 32.50 H new ATOM 0 HB VAL A 115 6.352 -11.332 6.678 1.00 54.41 H new ATOM 0 HG11 VAL A 115 4.852 -9.380 6.620 1.00 3.20 H new ATOM 0 HG12 VAL A 115 6.015 -9.280 7.963 1.00 3.20 H new ATOM 0 HG13 VAL A 115 6.264 -8.304 6.496 1.00 3.20 H new ATOM 0 HG21 VAL A 115 5.463 -10.537 4.523 1.00 22.11 H new ATOM 0 HG22 VAL A 115 6.900 -9.509 4.315 1.00 22.11 H new ATOM 0 HG23 VAL A 115 7.070 -11.280 4.341 1.00 22.11 H new ATOM 1762 N GLU A 116 8.613 -7.856 6.511 1.00 12.40 N ATOM 1763 CA GLU A 116 9.106 -6.614 5.928 1.00 40.54 C ATOM 1764 C GLU A 116 10.627 -6.634 5.810 1.00 63.22 C ATOM 1765 O GLU A 116 11.206 -5.927 4.985 1.00 42.01 O ATOM 1766 CB GLU A 116 8.665 -5.417 6.773 1.00 43.30 C ATOM 1767 CG GLU A 116 7.793 -4.427 6.019 1.00 34.40 C ATOM 1768 CD GLU A 116 8.218 -2.989 6.239 1.00 51.41 C ATOM 1769 OE1 GLU A 116 9.340 -2.631 5.824 1.00 51.11 O ATOM 1770 OE2 GLU A 116 7.428 -2.220 6.826 1.00 34.23 O ATOM 0 H GLU A 116 8.150 -7.744 7.413 1.00 12.40 H new ATOM 0 HA GLU A 116 8.682 -6.519 4.928 1.00 40.54 H new ATOM 0 HB2 GLU A 116 8.119 -5.779 7.644 1.00 43.30 H new ATOM 0 HB3 GLU A 116 9.550 -4.900 7.144 1.00 43.30 H new ATOM 0 HG2 GLU A 116 7.830 -4.654 4.954 1.00 34.40 H new ATOM 0 HG3 GLU A 116 6.757 -4.548 6.334 1.00 34.40 H new ATOM 1777 N ARG A 117 11.268 -7.450 6.641 1.00 42.51 N ATOM 1778 CA ARG A 117 12.722 -7.562 6.632 1.00 52.53 C ATOM 1779 C ARG A 117 13.204 -8.279 5.374 1.00 10.41 C ATOM 1780 O ARG A 117 14.287 -7.995 4.862 1.00 14.14 O ATOM 1781 CB ARG A 117 13.205 -8.310 7.875 1.00 33.23 C ATOM 1782 CG ARG A 117 14.660 -8.741 7.800 1.00 63.22 C ATOM 1783 CD ARG A 117 15.385 -8.487 9.112 1.00 4.11 C ATOM 1784 NE ARG A 117 16.822 -8.306 8.918 1.00 55.02 N ATOM 1785 CZ ARG A 117 17.671 -8.051 9.907 1.00 74.00 C ATOM 1786 NH1 ARG A 117 17.230 -7.948 11.153 1.00 0.02 N ATOM 1787 NH2 ARG A 117 18.964 -7.899 9.651 1.00 74.15 N ATOM 0 H ARG A 117 10.803 -8.043 7.329 1.00 42.51 H new ATOM 0 HA ARG A 117 13.139 -6.555 6.638 1.00 52.53 H new ATOM 0 HB2 ARG A 117 13.069 -7.672 8.748 1.00 33.23 H new ATOM 0 HB3 ARG A 117 12.581 -9.191 8.023 1.00 33.23 H new ATOM 0 HG2 ARG A 117 14.714 -9.801 7.553 1.00 63.22 H new ATOM 0 HG3 ARG A 117 15.160 -8.200 6.996 1.00 63.22 H new ATOM 0 HD2 ARG A 117 14.969 -7.600 9.590 1.00 4.11 H new ATOM 0 HD3 ARG A 117 15.213 -9.324 9.789 1.00 4.11 H new ATOM 0 HE ARG A 117 17.193 -8.380 7.971 1.00 55.02 H new ATOM 0 HH11 ARG A 117 16.237 -8.065 11.354 1.00 0.02 H new ATOM 0 HH12 ARG A 117 17.884 -7.752 11.911 1.00 0.02 H new ATOM 0 HH21 ARG A 117 19.307 -7.978 8.694 1.00 74.15 H new ATOM 0 HH22 ARG A 117 19.615 -7.703 10.412 1.00 74.15 H new ATOM 1801 N ALA A 118 12.393 -9.209 4.882 1.00 73.11 N ATOM 1802 CA ALA A 118 12.736 -9.965 3.684 1.00 75.50 C ATOM 1803 C ALA A 118 12.353 -9.199 2.422 1.00 35.15 C ATOM 1804 O ALA A 118 12.974 -9.364 1.372 1.00 34.41 O ATOM 1805 CB ALA A 118 12.053 -11.325 3.705 1.00 25.43 C ATOM 0 H ALA A 118 11.494 -9.457 5.294 1.00 73.11 H new ATOM 0 HA ALA A 118 13.816 -10.112 3.674 1.00 75.50 H new ATOM 0 HB1 ALA A 118 12.318 -11.879 2.804 1.00 25.43 H new ATOM 0 HB2 ALA A 118 12.379 -11.882 4.583 1.00 25.43 H new ATOM 0 HB3 ALA A 118 10.972 -11.189 3.743 1.00 25.43 H new ATOM 1811 N ILE A 119 11.327 -8.362 2.533 1.00 53.10 N ATOM 1812 CA ILE A 119 10.862 -7.570 1.401 1.00 60.33 C ATOM 1813 C ILE A 119 11.683 -6.295 1.248 1.00 43.41 C ATOM 1814 O ILE A 119 12.212 -6.010 0.174 1.00 43.45 O ATOM 1815 CB ILE A 119 9.375 -7.196 1.548 1.00 44.21 C ATOM 1816 CG1 ILE A 119 8.518 -8.458 1.663 1.00 40.12 C ATOM 1817 CG2 ILE A 119 8.924 -6.348 0.369 1.00 54.54 C ATOM 1818 CD1 ILE A 119 7.209 -8.235 2.388 1.00 24.41 C ATOM 0 H ILE A 119 10.802 -8.215 3.395 1.00 53.10 H new ATOM 0 HA ILE A 119 10.986 -8.188 0.512 1.00 60.33 H new ATOM 0 HB ILE A 119 9.251 -6.612 2.460 1.00 44.21 H new ATOM 0 HG12 ILE A 119 8.310 -8.839 0.663 1.00 40.12 H new ATOM 0 HG13 ILE A 119 9.087 -9.227 2.185 1.00 40.12 H new ATOM 0 HG21 ILE A 119 7.871 -6.092 0.487 1.00 54.54 H new ATOM 0 HG22 ILE A 119 9.518 -5.435 0.329 1.00 54.54 H new ATOM 0 HG23 ILE A 119 9.059 -6.909 -0.556 1.00 54.54 H new ATOM 0 HD11 ILE A 119 6.653 -9.172 2.432 1.00 24.41 H new ATOM 0 HD12 ILE A 119 7.409 -7.884 3.400 1.00 24.41 H new ATOM 0 HD13 ILE A 119 6.620 -7.489 1.855 1.00 24.41 H new ATOM 1830 N SER A 120 11.787 -5.531 2.331 1.00 41.23 N ATOM 1831 CA SER A 120 12.543 -4.284 2.317 1.00 53.30 C ATOM 1832 C SER A 120 13.992 -4.531 1.911 1.00 63.34 C ATOM 1833 O SER A 120 14.669 -3.636 1.404 1.00 52.40 O ATOM 1834 CB SER A 120 12.494 -3.618 3.694 1.00 53.25 C ATOM 1835 OG SER A 120 12.751 -2.228 3.597 1.00 13.40 O ATOM 0 H SER A 120 11.357 -5.754 3.229 1.00 41.23 H new ATOM 0 HA SER A 120 12.087 -3.620 1.583 1.00 53.30 H new ATOM 0 HB2 SER A 120 11.515 -3.779 4.145 1.00 53.25 H new ATOM 0 HB3 SER A 120 13.229 -4.082 4.352 1.00 53.25 H new ATOM 0 HG SER A 120 12.713 -1.825 4.490 1.00 13.40 H new ATOM 1841 N HIS A 121 14.463 -5.754 2.137 1.00 41.35 N ATOM 1842 CA HIS A 121 15.832 -6.121 1.794 1.00 44.02 C ATOM 1843 C HIS A 121 16.129 -5.806 0.331 1.00 45.12 C ATOM 1844 O HIS A 121 17.275 -5.548 -0.039 1.00 23.23 O ATOM 1845 CB HIS A 121 16.067 -7.607 2.065 1.00 25.14 C ATOM 1846 CG HIS A 121 17.511 -8.004 2.019 1.00 0.51 C ATOM 1847 ND1 HIS A 121 18.111 -8.532 0.896 1.00 72.14 N ATOM 1848 CD2 HIS A 121 18.476 -7.944 2.966 1.00 21.34 C ATOM 1849 CE1 HIS A 121 19.382 -8.782 1.154 1.00 32.52 C ATOM 1850 NE2 HIS A 121 19.629 -8.434 2.404 1.00 22.31 N ATOM 0 H HIS A 121 13.917 -6.507 2.556 1.00 41.35 H new ATOM 0 HA HIS A 121 16.506 -5.534 2.418 1.00 44.02 H new ATOM 0 HB2 HIS A 121 15.661 -7.858 3.045 1.00 25.14 H new ATOM 0 HB3 HIS A 121 15.514 -8.193 1.331 1.00 25.14 H new ATOM 0 HD2 HIS A 121 18.361 -7.579 3.976 1.00 21.34 H new ATOM 0 HE1 HIS A 121 20.097 -9.200 0.461 1.00 32.52 H new ATOM 0 HE2 HIS A 121 20.530 -8.516 2.875 1.00 22.31 H new ATOM 1858 N TYR A 122 15.091 -5.829 -0.497 1.00 32.12 N ATOM 1859 CA TYR A 122 15.241 -5.549 -1.920 1.00 20.11 C ATOM 1860 C TYR A 122 14.803 -4.124 -2.244 1.00 3.01 C ATOM 1861 O TYR A 122 15.562 -3.348 -2.824 1.00 11.53 O ATOM 1862 CB TYR A 122 14.425 -6.545 -2.746 1.00 24.21 C ATOM 1863 CG TYR A 122 14.570 -7.977 -2.283 1.00 65.43 C ATOM 1864 CD1 TYR A 122 15.803 -8.618 -2.318 1.00 73.21 C ATOM 1865 CD2 TYR A 122 13.475 -8.689 -1.810 1.00 71.43 C ATOM 1866 CE1 TYR A 122 15.939 -9.927 -1.897 1.00 44.21 C ATOM 1867 CE2 TYR A 122 13.603 -9.998 -1.386 1.00 14.11 C ATOM 1868 CZ TYR A 122 14.837 -10.612 -1.432 1.00 33.33 C ATOM 1869 OH TYR A 122 14.969 -11.915 -1.010 1.00 60.51 O ATOM 0 H TYR A 122 14.136 -6.039 -0.207 1.00 32.12 H new ATOM 0 HA TYR A 122 16.296 -5.653 -2.175 1.00 20.11 H new ATOM 0 HB2 TYR A 122 13.373 -6.263 -2.704 1.00 24.21 H new ATOM 0 HB3 TYR A 122 14.732 -6.476 -3.790 1.00 24.21 H new ATOM 0 HD1 TYR A 122 16.669 -8.084 -2.680 1.00 73.21 H new ATOM 0 HD2 TYR A 122 12.507 -8.211 -1.773 1.00 71.43 H new ATOM 0 HE1 TYR A 122 16.904 -10.411 -1.932 1.00 44.21 H new ATOM 0 HE2 TYR A 122 12.741 -10.537 -1.021 1.00 14.11 H new ATOM 0 HH TYR A 122 14.945 -12.514 -1.785 1.00 60.51 H new ATOM 1879 N GLN A 123 13.575 -3.789 -1.864 1.00 54.52 N ATOM 1880 CA GLN A 123 13.035 -2.457 -2.114 1.00 61.21 C ATOM 1881 C GLN A 123 13.802 -1.402 -1.324 1.00 13.05 C ATOM 1882 O GLN A 123 14.486 -0.558 -1.900 1.00 43.40 O ATOM 1883 CB GLN A 123 11.551 -2.408 -1.747 1.00 71.10 C ATOM 1884 CG GLN A 123 10.623 -2.603 -2.936 1.00 5.14 C ATOM 1885 CD GLN A 123 9.906 -3.938 -2.903 1.00 61.05 C ATOM 1886 OE1 GLN A 123 10.383 -4.898 -2.297 1.00 0.31 O ATOM 1887 NE2 GLN A 123 8.753 -4.007 -3.558 1.00 13.51 N ATOM 0 H GLN A 123 12.935 -4.420 -1.382 1.00 54.52 H new ATOM 0 HA GLN A 123 13.146 -2.241 -3.177 1.00 61.21 H new ATOM 0 HB2 GLN A 123 11.343 -3.178 -1.004 1.00 71.10 H new ATOM 0 HB3 GLN A 123 11.332 -1.448 -1.280 1.00 71.10 H new ATOM 0 HG2 GLN A 123 9.887 -1.800 -2.953 1.00 5.14 H new ATOM 0 HG3 GLN A 123 11.199 -2.527 -3.858 1.00 5.14 H new ATOM 0 HE21 GLN A 123 8.394 -3.187 -4.047 1.00 13.51 H new ATOM 0 HE22 GLN A 123 8.226 -4.880 -3.572 1.00 13.51 H new ATOM 1896 N GLU A 124 13.681 -1.457 -0.001 1.00 11.13 N ATOM 1897 CA GLU A 124 14.362 -0.504 0.868 1.00 21.30 C ATOM 1898 C GLU A 124 13.979 0.929 0.511 1.00 75.24 C ATOM 1899 O GLU A 124 12.850 1.195 0.097 1.00 24.24 O ATOM 1900 CB GLU A 124 15.879 -0.679 0.764 1.00 73.14 C ATOM 1901 CG GLU A 124 16.570 -0.815 2.110 1.00 52.10 C ATOM 1902 CD GLU A 124 18.049 -0.487 2.042 1.00 32.51 C ATOM 1903 OE1 GLU A 124 18.400 0.553 1.447 1.00 22.42 O ATOM 1904 OE2 GLU A 124 18.855 -1.272 2.585 1.00 70.12 O ATOM 0 H GLU A 124 13.118 -2.151 0.492 1.00 11.13 H new ATOM 0 HA GLU A 124 14.050 -0.700 1.894 1.00 21.30 H new ATOM 0 HB2 GLU A 124 16.094 -1.563 0.164 1.00 73.14 H new ATOM 0 HB3 GLU A 124 16.299 0.176 0.234 1.00 73.14 H new ATOM 0 HG2 GLU A 124 16.088 -0.154 2.830 1.00 52.10 H new ATOM 0 HG3 GLU A 124 16.444 -1.833 2.478 1.00 52.10 H new TER 1911 GLU A 124