USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 26 THR OG1 : rot 24:sc= 0.333 USER MOD Set 1.2: A 29 SER OG : rot -160:sc= 0.988 USER MOD Single : A 1 ALA N :NH3+ -157:sc= 0.853 (180deg=0.493) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.0691 (180deg=-0.353) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -58:sc= 0.14 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -97:sc= -0.585 (180deg=-2.52!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00994) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 46 MET CE :methyl -149:sc= -0.271 (180deg=-1.06) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.281 F(o=-1.5,f=-0.28) USER MOD Single : A 55 ASN : amide:sc= 0.39 X(o=0.39,f=-0.02) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.0441 X(o=0.044,f=-0.0049) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.44 F(o=-3.8,f=-1.4) USER MOD Single : A 69 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.6) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.208 -3.380 9.370 1.00 0.00 N ATOM 2 CA ALA A 1 -6.337 -4.435 8.373 1.00 71.14 C ATOM 3 C ALA A 1 -5.855 -5.773 8.923 1.00 15.02 C ATOM 4 O ALA A 1 -5.498 -5.881 10.097 1.00 1.53 O ATOM 5 CB ALA A 1 -5.563 -4.070 7.115 1.00 72.14 C ATOM 0 H1 ALA A 1 -6.868 -2.608 9.146 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.430 -3.763 10.311 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.234 -3.015 9.365 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.393 -4.535 8.121 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.668 -4.867 6.379 1.00 72.14 H new ATOM 0 HB2 ALA A 1 -5.956 -3.141 6.703 1.00 72.14 H new ATOM 0 HB3 ALA A 1 -4.509 -3.940 7.361 1.00 72.14 H new ATOM 11 N LYS A 2 -5.849 -6.790 8.070 1.00 65.22 N ATOM 12 CA LYS A 2 -5.409 -8.123 8.470 1.00 13.42 C ATOM 13 C LYS A 2 -4.051 -8.454 7.860 1.00 11.13 C ATOM 14 O LYS A 2 -3.671 -7.901 6.826 1.00 31.41 O ATOM 15 CB LYS A 2 -6.440 -9.170 8.045 1.00 63.01 C ATOM 16 CG LYS A 2 -6.911 -9.014 6.610 1.00 3.44 C ATOM 17 CD LYS A 2 -8.273 -8.344 6.539 1.00 42.34 C ATOM 18 CE LYS A 2 -9.070 -8.829 5.337 1.00 1.24 C ATOM 19 NZ LYS A 2 -10.523 -8.530 5.478 1.00 65.22 N ATOM 0 H LYS A 2 -6.144 -6.718 7.096 1.00 65.22 H new ATOM 0 HA LYS A 2 -5.312 -8.136 9.556 1.00 13.42 H new ATOM 0 HB2 LYS A 2 -6.009 -10.163 8.171 1.00 63.01 H new ATOM 0 HB3 LYS A 2 -7.302 -9.110 8.710 1.00 63.01 H new ATOM 0 HG2 LYS A 2 -6.185 -8.424 6.050 1.00 3.44 H new ATOM 0 HG3 LYS A 2 -6.961 -9.993 6.134 1.00 3.44 H new ATOM 0 HD2 LYS A 2 -8.829 -8.550 7.453 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -8.146 -7.263 6.480 1.00 42.34 H new ATOM 0 HE2 LYS A 2 -8.688 -8.356 4.433 1.00 1.24 H new ATOM 0 HE3 LYS A 2 -8.930 -9.903 5.218 1.00 1.24 H new ATOM 0 HZ1 LYS A 2 -11.032 -8.876 4.639 1.00 65.22 H new ATOM 0 HZ2 LYS A 2 -10.894 -9.002 6.327 1.00 65.22 H new ATOM 0 HZ3 LYS A 2 -10.659 -7.503 5.566 1.00 65.22 H new ATOM 33 N LYS A 3 -3.323 -9.359 8.505 1.00 2.22 N ATOM 34 CA LYS A 3 -2.008 -9.767 8.025 1.00 14.35 C ATOM 35 C LYS A 3 -2.069 -10.186 6.560 1.00 12.21 C ATOM 36 O LYS A 3 -1.092 -10.048 5.824 1.00 75.50 O ATOM 37 CB LYS A 3 -1.467 -10.919 8.874 1.00 35.24 C ATOM 38 CG LYS A 3 -2.131 -12.254 8.582 1.00 2.31 C ATOM 39 CD LYS A 3 -3.557 -12.293 9.104 1.00 31.24 C ATOM 40 CE LYS A 3 -3.963 -13.701 9.511 1.00 10.04 C ATOM 41 NZ LYS A 3 -3.221 -14.165 10.716 1.00 31.43 N ATOM 0 H LYS A 3 -3.622 -9.824 9.362 1.00 2.22 H new ATOM 0 HA LYS A 3 -1.336 -8.913 8.112 1.00 14.35 H new ATOM 0 HB2 LYS A 3 -0.394 -11.012 8.705 1.00 35.24 H new ATOM 0 HB3 LYS A 3 -1.604 -10.678 9.928 1.00 35.24 H new ATOM 0 HG2 LYS A 3 -2.131 -12.434 7.507 1.00 2.31 H new ATOM 0 HG3 LYS A 3 -1.553 -13.057 9.040 1.00 2.31 H new ATOM 0 HD2 LYS A 3 -3.651 -11.624 9.960 1.00 31.24 H new ATOM 0 HD3 LYS A 3 -4.237 -11.925 8.336 1.00 31.24 H new ATOM 0 HE2 LYS A 3 -5.034 -13.727 9.712 1.00 10.04 H new ATOM 0 HE3 LYS A 3 -3.777 -14.386 8.684 1.00 10.04 H new ATOM 0 HZ1 LYS A 3 -3.770 -14.905 11.199 1.00 31.43 H new ATOM 0 HZ2 LYS A 3 -2.299 -14.551 10.429 1.00 31.43 H new ATOM 0 HZ3 LYS A 3 -3.075 -13.364 11.363 1.00 31.43 H new ATOM 55 N GLU A 4 -3.224 -10.698 6.143 1.00 3.53 N ATOM 56 CA GLU A 4 -3.411 -11.136 4.765 1.00 31.12 C ATOM 57 C GLU A 4 -3.433 -9.944 3.813 1.00 24.41 C ATOM 58 O GLU A 4 -2.823 -9.977 2.743 1.00 65.34 O ATOM 59 CB GLU A 4 -4.710 -11.933 4.632 1.00 2.33 C ATOM 60 CG GLU A 4 -5.044 -12.319 3.201 1.00 14.42 C ATOM 61 CD GLU A 4 -6.132 -13.371 3.119 1.00 61.24 C ATOM 62 OE1 GLU A 4 -7.080 -13.309 3.931 1.00 5.34 O ATOM 63 OE2 GLU A 4 -6.037 -14.257 2.245 1.00 53.02 O ATOM 0 H GLU A 4 -4.043 -10.819 6.739 1.00 3.53 H new ATOM 0 HA GLU A 4 -2.571 -11.777 4.497 1.00 31.12 H new ATOM 0 HB2 GLU A 4 -4.634 -12.838 5.235 1.00 2.33 H new ATOM 0 HB3 GLU A 4 -5.531 -11.344 5.042 1.00 2.33 H new ATOM 0 HG2 GLU A 4 -5.361 -11.431 2.654 1.00 14.42 H new ATOM 0 HG3 GLU A 4 -4.145 -12.692 2.710 1.00 14.42 H new ATOM 70 N THR A 5 -4.138 -8.890 4.209 1.00 14.11 N ATOM 71 CA THR A 5 -4.242 -7.688 3.392 1.00 72.14 C ATOM 72 C THR A 5 -2.899 -6.973 3.294 1.00 43.22 C ATOM 73 O THR A 5 -2.519 -6.490 2.226 1.00 54.31 O ATOM 74 CB THR A 5 -5.290 -6.712 3.958 1.00 22.14 C ATOM 75 OG1 THR A 5 -6.576 -7.339 3.991 1.00 75.53 O ATOM 76 CG2 THR A 5 -5.360 -5.445 3.119 1.00 11.51 C ATOM 0 H THR A 5 -4.646 -8.844 5.092 1.00 14.11 H new ATOM 0 HA THR A 5 -4.555 -8.008 2.398 1.00 72.14 H new ATOM 0 HB THR A 5 -4.991 -6.442 4.971 1.00 22.14 H new ATOM 0 HG1 THR A 5 -7.236 -6.712 4.354 1.00 75.53 H new ATOM 0 HG21 THR A 5 -6.107 -4.771 3.539 1.00 11.51 H new ATOM 0 HG22 THR A 5 -4.387 -4.954 3.120 1.00 11.51 H new ATOM 0 HG23 THR A 5 -5.636 -5.701 2.096 1.00 11.51 H new ATOM 84 N ILE A 6 -2.184 -6.910 4.411 1.00 34.31 N ATOM 85 CA ILE A 6 -0.882 -6.255 4.449 1.00 73.33 C ATOM 86 C ILE A 6 0.093 -6.914 3.479 1.00 54.12 C ATOM 87 O ILE A 6 0.893 -6.238 2.833 1.00 12.24 O ATOM 88 CB ILE A 6 -0.278 -6.284 5.865 1.00 75.31 C ATOM 89 CG1 ILE A 6 -1.220 -5.600 6.860 1.00 63.44 C ATOM 90 CG2 ILE A 6 1.086 -5.614 5.873 1.00 2.03 C ATOM 91 CD1 ILE A 6 -0.927 -5.943 8.303 1.00 20.10 C ATOM 0 H ILE A 6 -2.484 -7.305 5.303 1.00 34.31 H new ATOM 0 HA ILE A 6 -1.042 -5.218 4.152 1.00 73.33 H new ATOM 0 HB ILE A 6 -0.152 -7.323 6.168 1.00 75.31 H new ATOM 0 HG12 ILE A 6 -1.150 -4.520 6.730 1.00 63.44 H new ATOM 0 HG13 ILE A 6 -2.247 -5.883 6.629 1.00 63.44 H new ATOM 0 HG21 ILE A 6 1.500 -5.643 6.881 1.00 2.03 H new ATOM 0 HG22 ILE A 6 1.754 -6.141 5.192 1.00 2.03 H new ATOM 0 HG23 ILE A 6 0.984 -4.577 5.552 1.00 2.03 H new ATOM 0 HD11 ILE A 6 -1.633 -5.423 8.951 1.00 20.10 H new ATOM 0 HD12 ILE A 6 -1.025 -7.019 8.448 1.00 20.10 H new ATOM 0 HD13 ILE A 6 0.089 -5.635 8.551 1.00 20.10 H new ATOM 103 N ASP A 7 0.018 -8.236 3.382 1.00 44.41 N ATOM 104 CA ASP A 7 0.892 -8.987 2.488 1.00 61.10 C ATOM 105 C ASP A 7 0.641 -8.603 1.033 1.00 32.22 C ATOM 106 O ASP A 7 1.577 -8.474 0.244 1.00 0.32 O ATOM 107 CB ASP A 7 0.680 -10.491 2.676 1.00 12.34 C ATOM 108 CG ASP A 7 1.924 -11.295 2.356 1.00 52.04 C ATOM 109 OD1 ASP A 7 2.849 -10.735 1.731 1.00 70.13 O ATOM 110 OD2 ASP A 7 1.972 -12.485 2.732 1.00 44.24 O ATOM 0 H ASP A 7 -0.639 -8.810 3.911 1.00 44.41 H new ATOM 0 HA ASP A 7 1.924 -8.740 2.737 1.00 61.10 H new ATOM 0 HB2 ASP A 7 0.379 -10.687 3.705 1.00 12.34 H new ATOM 0 HB3 ASP A 7 -0.138 -10.822 2.036 1.00 12.34 H new ATOM 115 N LYS A 8 -0.628 -8.424 0.685 1.00 1.03 N ATOM 116 CA LYS A 8 -1.004 -8.055 -0.674 1.00 5.52 C ATOM 117 C LYS A 8 -0.395 -6.710 -1.061 1.00 43.34 C ATOM 118 O LYS A 8 0.296 -6.599 -2.075 1.00 32.35 O ATOM 119 CB LYS A 8 -2.528 -7.993 -0.806 1.00 21.32 C ATOM 120 CG LYS A 8 -3.238 -9.194 -0.207 1.00 52.21 C ATOM 121 CD LYS A 8 -4.476 -9.565 -1.007 1.00 23.30 C ATOM 122 CE LYS A 8 -4.108 -10.170 -2.353 1.00 71.05 C ATOM 123 NZ LYS A 8 -5.300 -10.721 -3.057 1.00 61.24 N ATOM 0 H LYS A 8 -1.414 -8.529 1.326 1.00 1.03 H new ATOM 0 HA LYS A 8 -0.618 -8.818 -1.350 1.00 5.52 H new ATOM 0 HB2 LYS A 8 -2.890 -7.087 -0.320 1.00 21.32 H new ATOM 0 HB3 LYS A 8 -2.790 -7.915 -1.861 1.00 21.32 H new ATOM 0 HG2 LYS A 8 -2.556 -10.043 -0.176 1.00 52.21 H new ATOM 0 HG3 LYS A 8 -3.521 -8.975 0.823 1.00 52.21 H new ATOM 0 HD2 LYS A 8 -5.078 -10.275 -0.440 1.00 23.30 H new ATOM 0 HD3 LYS A 8 -5.090 -8.678 -1.161 1.00 23.30 H new ATOM 0 HE2 LYS A 8 -3.637 -9.410 -2.976 1.00 71.05 H new ATOM 0 HE3 LYS A 8 -3.374 -10.962 -2.207 1.00 71.05 H new ATOM 0 HZ1 LYS A 8 -5.008 -11.124 -3.970 1.00 61.24 H new ATOM 0 HZ2 LYS A 8 -5.735 -11.464 -2.474 1.00 61.24 H new ATOM 0 HZ3 LYS A 8 -5.990 -9.960 -3.219 1.00 61.24 H new ATOM 137 N VAL A 9 -0.656 -5.692 -0.248 1.00 44.10 N ATOM 138 CA VAL A 9 -0.130 -4.356 -0.504 1.00 52.12 C ATOM 139 C VAL A 9 1.395 -4.357 -0.517 1.00 54.54 C ATOM 140 O VAL A 9 2.018 -3.909 -1.479 1.00 52.20 O ATOM 141 CB VAL A 9 -0.623 -3.347 0.551 1.00 65.52 C ATOM 142 CG1 VAL A 9 -0.207 -1.934 0.175 1.00 53.52 C ATOM 143 CG2 VAL A 9 -2.133 -3.443 0.714 1.00 21.43 C ATOM 0 H VAL A 9 -1.228 -5.766 0.593 1.00 44.10 H new ATOM 0 HA VAL A 9 -0.498 -4.054 -1.485 1.00 52.12 H new ATOM 0 HB VAL A 9 -0.161 -3.592 1.507 1.00 65.52 H new ATOM 0 HG11 VAL A 9 -0.564 -1.236 0.932 1.00 53.52 H new ATOM 0 HG12 VAL A 9 0.880 -1.879 0.114 1.00 53.52 H new ATOM 0 HG13 VAL A 9 -0.638 -1.673 -0.792 1.00 53.52 H new ATOM 0 HG21 VAL A 9 -2.465 -2.724 1.463 1.00 21.43 H new ATOM 0 HG22 VAL A 9 -2.616 -3.224 -0.238 1.00 21.43 H new ATOM 0 HG23 VAL A 9 -2.401 -4.450 1.034 1.00 21.43 H new ATOM 153 N SER A 10 1.989 -4.865 0.558 1.00 53.02 N ATOM 154 CA SER A 10 3.441 -4.923 0.671 1.00 31.24 C ATOM 155 C SER A 10 4.056 -5.608 -0.545 1.00 41.44 C ATOM 156 O SER A 10 5.108 -5.199 -1.037 1.00 0.53 O ATOM 157 CB SER A 10 3.845 -5.665 1.947 1.00 62.15 C ATOM 158 OG SER A 10 3.946 -7.061 1.714 1.00 15.52 O ATOM 0 H SER A 10 1.487 -5.242 1.362 1.00 53.02 H new ATOM 0 HA SER A 10 3.817 -3.901 0.718 1.00 31.24 H new ATOM 0 HB2 SER A 10 4.800 -5.283 2.307 1.00 62.15 H new ATOM 0 HB3 SER A 10 3.111 -5.476 2.730 1.00 62.15 H new ATOM 0 HG SER A 10 3.088 -7.400 1.382 1.00 15.52 H new ATOM 164 N ASP A 11 3.391 -6.653 -1.027 1.00 13.42 N ATOM 165 CA ASP A 11 3.869 -7.394 -2.187 1.00 20.52 C ATOM 166 C ASP A 11 3.967 -6.487 -3.410 1.00 61.31 C ATOM 167 O ASP A 11 4.943 -6.543 -4.158 1.00 43.14 O ATOM 168 CB ASP A 11 2.940 -8.572 -2.484 1.00 31.41 C ATOM 169 CG ASP A 11 3.381 -9.847 -1.791 1.00 51.13 C ATOM 170 OD1 ASP A 11 4.603 -10.044 -1.634 1.00 21.24 O ATOM 171 OD2 ASP A 11 2.502 -10.647 -1.406 1.00 2.51 O ATOM 0 H ASP A 11 2.519 -7.005 -0.632 1.00 13.42 H new ATOM 0 HA ASP A 11 4.865 -7.774 -1.959 1.00 20.52 H new ATOM 0 HB2 ASP A 11 1.928 -8.321 -2.167 1.00 31.41 H new ATOM 0 HB3 ASP A 11 2.905 -8.741 -3.560 1.00 31.41 H new ATOM 176 N ILE A 12 2.951 -5.654 -3.606 1.00 32.42 N ATOM 177 CA ILE A 12 2.924 -4.736 -4.736 1.00 1.54 C ATOM 178 C ILE A 12 3.900 -3.582 -4.532 1.00 73.21 C ATOM 179 O ILE A 12 4.639 -3.210 -5.444 1.00 71.12 O ATOM 180 CB ILE A 12 1.512 -4.165 -4.964 1.00 2.33 C ATOM 181 CG1 ILE A 12 0.512 -5.298 -5.204 1.00 22.54 C ATOM 182 CG2 ILE A 12 1.516 -3.196 -6.138 1.00 53.34 C ATOM 183 CD1 ILE A 12 -0.771 -5.147 -4.419 1.00 53.01 C ATOM 0 H ILE A 12 2.135 -5.596 -2.996 1.00 32.42 H new ATOM 0 HA ILE A 12 3.222 -5.309 -5.614 1.00 1.54 H new ATOM 0 HB ILE A 12 1.207 -3.621 -4.070 1.00 2.33 H new ATOM 0 HG12 ILE A 12 0.275 -5.343 -6.267 1.00 22.54 H new ATOM 0 HG13 ILE A 12 0.980 -6.247 -4.941 1.00 22.54 H new ATOM 0 HG21 ILE A 12 0.511 -2.801 -6.287 1.00 53.34 H new ATOM 0 HG22 ILE A 12 2.202 -2.375 -5.930 1.00 53.34 H new ATOM 0 HG23 ILE A 12 1.838 -3.718 -7.039 1.00 53.34 H new ATOM 0 HD11 ILE A 12 -1.432 -5.985 -4.638 1.00 53.01 H new ATOM 0 HD12 ILE A 12 -0.545 -5.132 -3.353 1.00 53.01 H new ATOM 0 HD13 ILE A 12 -1.261 -4.215 -4.699 1.00 53.01 H new ATOM 195 N VAL A 13 3.899 -3.020 -3.327 1.00 64.13 N ATOM 196 CA VAL A 13 4.787 -1.910 -3.000 1.00 51.43 C ATOM 197 C VAL A 13 6.249 -2.321 -3.127 1.00 3.41 C ATOM 198 O VAL A 13 7.011 -1.718 -3.883 1.00 61.21 O ATOM 199 CB VAL A 13 4.533 -1.390 -1.573 1.00 62.25 C ATOM 200 CG1 VAL A 13 5.329 -0.120 -1.318 1.00 11.45 C ATOM 201 CG2 VAL A 13 3.047 -1.152 -1.350 1.00 11.21 C ATOM 0 H VAL A 13 3.293 -3.315 -2.561 1.00 64.13 H new ATOM 0 HA VAL A 13 4.574 -1.113 -3.712 1.00 51.43 H new ATOM 0 HB VAL A 13 4.867 -2.147 -0.864 1.00 62.25 H new ATOM 0 HG11 VAL A 13 5.137 0.233 -0.305 1.00 11.45 H new ATOM 0 HG12 VAL A 13 6.393 -0.328 -1.434 1.00 11.45 H new ATOM 0 HG13 VAL A 13 5.029 0.647 -2.032 1.00 11.45 H new ATOM 0 HG21 VAL A 13 2.885 -0.785 -0.337 1.00 11.21 H new ATOM 0 HG22 VAL A 13 2.685 -0.414 -2.066 1.00 11.21 H new ATOM 0 HG23 VAL A 13 2.504 -2.087 -1.488 1.00 11.21 H new ATOM 211 N LYS A 14 6.636 -3.351 -2.382 1.00 55.43 N ATOM 212 CA LYS A 14 8.007 -3.845 -2.412 1.00 32.52 C ATOM 213 C LYS A 14 8.443 -4.157 -3.840 1.00 55.32 C ATOM 214 O LYS A 14 9.615 -4.013 -4.187 1.00 34.42 O ATOM 215 CB LYS A 14 8.139 -5.097 -1.543 1.00 74.21 C ATOM 216 CG LYS A 14 7.523 -6.338 -2.166 1.00 74.14 C ATOM 217 CD LYS A 14 7.312 -7.435 -1.135 1.00 14.04 C ATOM 218 CE LYS A 14 8.627 -7.876 -0.514 1.00 63.11 C ATOM 219 NZ LYS A 14 8.461 -9.091 0.332 1.00 44.11 N ATOM 0 H LYS A 14 6.019 -3.860 -1.750 1.00 55.43 H new ATOM 0 HA LYS A 14 8.656 -3.064 -2.015 1.00 32.52 H new ATOM 0 HB2 LYS A 14 9.195 -5.284 -1.349 1.00 74.21 H new ATOM 0 HB3 LYS A 14 7.665 -4.911 -0.579 1.00 74.21 H new ATOM 0 HG2 LYS A 14 6.568 -6.080 -2.625 1.00 74.14 H new ATOM 0 HG3 LYS A 14 8.170 -6.706 -2.962 1.00 74.14 H new ATOM 0 HD2 LYS A 14 6.641 -7.077 -0.354 1.00 14.04 H new ATOM 0 HD3 LYS A 14 6.826 -8.290 -1.606 1.00 14.04 H new ATOM 0 HE2 LYS A 14 9.351 -8.079 -1.303 1.00 63.11 H new ATOM 0 HE3 LYS A 14 9.033 -7.065 0.091 1.00 63.11 H new ATOM 0 HZ1 LYS A 14 9.380 -9.360 0.737 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 7.789 -8.890 1.100 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 8.098 -9.872 -0.250 1.00 44.11 H new ATOM 233 N GLU A 15 7.491 -4.583 -4.664 1.00 64.12 N ATOM 234 CA GLU A 15 7.777 -4.914 -6.055 1.00 25.23 C ATOM 235 C GLU A 15 8.137 -3.661 -6.850 1.00 64.30 C ATOM 236 O GLU A 15 8.917 -3.718 -7.801 1.00 32.43 O ATOM 237 CB GLU A 15 6.575 -5.611 -6.696 1.00 15.24 C ATOM 238 CG GLU A 15 6.821 -6.057 -8.127 1.00 13.33 C ATOM 239 CD GLU A 15 5.595 -6.683 -8.762 1.00 73.35 C ATOM 240 OE1 GLU A 15 4.589 -6.875 -8.048 1.00 60.23 O ATOM 241 OE2 GLU A 15 5.642 -6.981 -9.974 1.00 10.01 O ATOM 0 H GLU A 15 6.516 -4.707 -4.393 1.00 64.12 H new ATOM 0 HA GLU A 15 8.631 -5.592 -6.071 1.00 25.23 H new ATOM 0 HB2 GLU A 15 6.307 -6.480 -6.095 1.00 15.24 H new ATOM 0 HB3 GLU A 15 5.721 -4.934 -6.677 1.00 15.24 H new ATOM 0 HG2 GLU A 15 7.136 -5.200 -8.722 1.00 13.33 H new ATOM 0 HG3 GLU A 15 7.641 -6.775 -8.144 1.00 13.33 H new ATOM 248 N LYS A 16 7.562 -2.531 -6.453 1.00 63.23 N ATOM 249 CA LYS A 16 7.821 -1.264 -7.126 1.00 31.11 C ATOM 250 C LYS A 16 9.121 -0.639 -6.629 1.00 73.34 C ATOM 251 O LYS A 16 9.755 0.145 -7.336 1.00 32.22 O ATOM 252 CB LYS A 16 6.657 -0.295 -6.898 1.00 64.31 C ATOM 253 CG LYS A 16 5.317 -0.835 -7.366 1.00 42.20 C ATOM 254 CD LYS A 16 5.069 -0.518 -8.832 1.00 22.53 C ATOM 255 CE LYS A 16 4.601 0.917 -9.020 1.00 71.14 C ATOM 256 NZ LYS A 16 5.736 1.837 -9.306 1.00 52.52 N ATOM 0 H LYS A 16 6.913 -2.467 -5.668 1.00 63.23 H new ATOM 0 HA LYS A 16 7.919 -1.462 -8.194 1.00 31.11 H new ATOM 0 HB2 LYS A 16 6.594 -0.060 -5.836 1.00 64.31 H new ATOM 0 HB3 LYS A 16 6.865 0.639 -7.420 1.00 64.31 H new ATOM 0 HG2 LYS A 16 5.286 -1.914 -7.216 1.00 42.20 H new ATOM 0 HG3 LYS A 16 4.519 -0.406 -6.760 1.00 42.20 H new ATOM 0 HD2 LYS A 16 5.985 -0.681 -9.401 1.00 22.53 H new ATOM 0 HD3 LYS A 16 4.320 -1.202 -9.232 1.00 22.53 H new ATOM 0 HE2 LYS A 16 3.883 0.961 -9.839 1.00 71.14 H new ATOM 0 HE3 LYS A 16 4.081 1.250 -8.122 1.00 71.14 H new ATOM 0 HZ1 LYS A 16 6.035 2.304 -8.426 1.00 52.52 H new ATOM 0 HZ2 LYS A 16 6.532 1.295 -9.697 1.00 52.52 H new ATOM 0 HZ3 LYS A 16 5.435 2.556 -9.995 1.00 52.52 H new ATOM 270 N LEU A 17 9.513 -0.992 -5.410 1.00 71.21 N ATOM 271 CA LEU A 17 10.739 -0.467 -4.818 1.00 51.24 C ATOM 272 C LEU A 17 11.907 -1.419 -5.053 1.00 61.24 C ATOM 273 O LEU A 17 13.064 -1.063 -4.834 1.00 11.24 O ATOM 274 CB LEU A 17 10.547 -0.238 -3.318 1.00 51.21 C ATOM 275 CG LEU A 17 9.307 0.561 -2.914 1.00 73.32 C ATOM 276 CD1 LEU A 17 9.302 0.817 -1.415 1.00 74.42 C ATOM 277 CD2 LEU A 17 9.245 1.873 -3.682 1.00 35.22 C ATOM 0 H LEU A 17 9.000 -1.640 -4.812 1.00 71.21 H new ATOM 0 HA LEU A 17 10.967 0.485 -5.298 1.00 51.24 H new ATOM 0 HB2 LEU A 17 10.505 -1.209 -2.825 1.00 51.21 H new ATOM 0 HB3 LEU A 17 11.428 0.277 -2.934 1.00 51.21 H new ATOM 0 HG LEU A 17 8.423 -0.025 -3.164 1.00 73.32 H new ATOM 0 HD11 LEU A 17 8.412 1.387 -1.146 1.00 74.42 H new ATOM 0 HD12 LEU A 17 9.298 -0.135 -0.883 1.00 74.42 H new ATOM 0 HD13 LEU A 17 10.192 1.383 -1.140 1.00 74.42 H new ATOM 0 HD21 LEU A 17 8.356 2.429 -3.382 1.00 35.22 H new ATOM 0 HD22 LEU A 17 10.134 2.465 -3.464 1.00 35.22 H new ATOM 0 HD23 LEU A 17 9.200 1.667 -4.751 1.00 35.22 H new ATOM 289 N ALA A 18 11.596 -2.630 -5.504 1.00 32.01 N ATOM 290 CA ALA A 18 12.620 -3.631 -5.773 1.00 64.41 C ATOM 291 C ALA A 18 12.006 -4.909 -6.335 1.00 33.31 C ATOM 292 O ALA A 18 10.793 -4.992 -6.530 1.00 52.43 O ATOM 293 CB ALA A 18 13.409 -3.935 -4.507 1.00 54.13 C ATOM 0 H ALA A 18 10.643 -2.941 -5.691 1.00 32.01 H new ATOM 0 HA ALA A 18 13.299 -3.225 -6.523 1.00 64.41 H new ATOM 0 HB1 ALA A 18 14.170 -4.684 -4.724 1.00 54.13 H new ATOM 0 HB2 ALA A 18 13.888 -3.024 -4.149 1.00 54.13 H new ATOM 0 HB3 ALA A 18 12.734 -4.315 -3.740 1.00 54.13 H new ATOM 299 N LEU A 19 12.850 -5.902 -6.593 1.00 72.41 N ATOM 300 CA LEU A 19 12.388 -7.176 -7.133 1.00 25.40 C ATOM 301 C LEU A 19 11.649 -7.983 -6.071 1.00 52.21 C ATOM 302 O LEU A 19 10.850 -8.862 -6.389 1.00 61.22 O ATOM 303 CB LEU A 19 13.572 -7.983 -7.670 1.00 32.12 C ATOM 304 CG LEU A 19 14.535 -7.231 -8.590 1.00 33.45 C ATOM 305 CD1 LEU A 19 15.794 -8.049 -8.829 1.00 72.11 C ATOM 306 CD2 LEU A 19 13.858 -6.894 -9.910 1.00 13.43 C ATOM 0 H LEU A 19 13.857 -5.850 -6.437 1.00 72.41 H new ATOM 0 HA LEU A 19 11.697 -6.967 -7.949 1.00 25.40 H new ATOM 0 HB2 LEU A 19 14.138 -8.368 -6.822 1.00 32.12 H new ATOM 0 HB3 LEU A 19 13.183 -8.845 -8.211 1.00 32.12 H new ATOM 0 HG LEU A 19 14.819 -6.299 -8.102 1.00 33.45 H new ATOM 0 HD11 LEU A 19 16.467 -7.498 -9.486 1.00 72.11 H new ATOM 0 HD12 LEU A 19 16.291 -8.239 -7.877 1.00 72.11 H new ATOM 0 HD13 LEU A 19 15.528 -8.998 -9.295 1.00 72.11 H new ATOM 0 HD21 LEU A 19 14.558 -6.359 -10.552 1.00 13.43 H new ATOM 0 HD22 LEU A 19 13.544 -7.814 -10.403 1.00 13.43 H new ATOM 0 HD23 LEU A 19 12.986 -6.267 -9.722 1.00 13.43 H new ATOM 318 N GLY A 20 11.920 -7.675 -4.806 1.00 34.52 N ATOM 319 CA GLY A 20 11.270 -8.379 -3.715 1.00 2.41 C ATOM 320 C GLY A 20 12.039 -9.611 -3.282 1.00 32.41 C ATOM 321 O GLY A 20 11.546 -10.411 -2.487 1.00 33.10 O ATOM 0 H GLY A 20 12.578 -6.951 -4.517 1.00 34.52 H new ATOM 0 HA2 GLY A 20 11.161 -7.705 -2.865 1.00 2.41 H new ATOM 0 HA3 GLY A 20 10.265 -8.670 -4.022 1.00 2.41 H new ATOM 325 N ALA A 21 13.251 -9.766 -3.805 1.00 52.22 N ATOM 326 CA ALA A 21 14.089 -10.910 -3.467 1.00 10.43 C ATOM 327 C ALA A 21 14.989 -10.597 -2.276 1.00 33.00 C ATOM 328 O ALA A 21 14.920 -11.263 -1.243 1.00 23.35 O ATOM 329 CB ALA A 21 14.926 -11.324 -4.668 1.00 44.31 C ATOM 0 H ALA A 21 13.675 -9.113 -4.465 1.00 52.22 H new ATOM 0 HA ALA A 21 13.437 -11.738 -3.190 1.00 10.43 H new ATOM 0 HB1 ALA A 21 15.547 -12.179 -4.401 1.00 44.31 H new ATOM 0 HB2 ALA A 21 14.268 -11.596 -5.493 1.00 44.31 H new ATOM 0 HB3 ALA A 21 15.563 -10.493 -4.971 1.00 44.31 H new ATOM 335 N ASP A 22 15.831 -9.581 -2.427 1.00 50.54 N ATOM 336 CA ASP A 22 16.744 -9.180 -1.363 1.00 24.53 C ATOM 337 C ASP A 22 16.169 -8.016 -0.563 1.00 42.11 C ATOM 338 O ASP A 22 16.875 -7.375 0.215 1.00 35.24 O ATOM 339 CB ASP A 22 18.103 -8.792 -1.947 1.00 10.40 C ATOM 340 CG ASP A 22 18.807 -9.963 -2.604 1.00 42.00 C ATOM 341 OD1 ASP A 22 18.375 -10.376 -3.700 1.00 50.21 O ATOM 342 OD2 ASP A 22 19.790 -10.468 -2.020 1.00 4.41 O ATOM 0 H ASP A 22 15.900 -9.020 -3.276 1.00 50.54 H new ATOM 0 HA ASP A 22 16.875 -10.029 -0.692 1.00 24.53 H new ATOM 0 HB2 ASP A 22 17.967 -7.997 -2.680 1.00 10.40 H new ATOM 0 HB3 ASP A 22 18.734 -8.391 -1.154 1.00 10.40 H new ATOM 347 N VAL A 23 14.882 -7.747 -0.761 1.00 5.14 N ATOM 348 CA VAL A 23 14.212 -6.659 -0.059 1.00 52.22 C ATOM 349 C VAL A 23 13.040 -7.178 0.767 1.00 33.33 C ATOM 350 O VAL A 23 12.206 -7.935 0.272 1.00 73.22 O ATOM 351 CB VAL A 23 13.700 -5.588 -1.040 1.00 61.15 C ATOM 352 CG1 VAL A 23 12.979 -4.478 -0.292 1.00 35.21 C ATOM 353 CG2 VAL A 23 14.849 -5.027 -1.864 1.00 63.43 C ATOM 0 H VAL A 23 14.283 -8.268 -1.402 1.00 5.14 H new ATOM 0 HA VAL A 23 14.950 -6.209 0.605 1.00 52.22 H new ATOM 0 HB VAL A 23 12.989 -6.056 -1.721 1.00 61.15 H new ATOM 0 HG11 VAL A 23 12.625 -3.731 -1.002 1.00 35.21 H new ATOM 0 HG12 VAL A 23 12.130 -4.896 0.249 1.00 35.21 H new ATOM 0 HG13 VAL A 23 13.665 -4.010 0.414 1.00 35.21 H new ATOM 0 HG21 VAL A 23 14.469 -4.272 -2.552 1.00 63.43 H new ATOM 0 HG22 VAL A 23 15.586 -4.575 -1.200 1.00 63.43 H new ATOM 0 HG23 VAL A 23 15.317 -5.832 -2.431 1.00 63.43 H new ATOM 363 N VAL A 24 12.984 -6.766 2.030 1.00 3.24 N ATOM 364 CA VAL A 24 11.914 -7.187 2.925 1.00 34.41 C ATOM 365 C VAL A 24 11.194 -5.985 3.525 1.00 34.31 C ATOM 366 O VAL A 24 11.813 -5.126 4.152 1.00 3.03 O ATOM 367 CB VAL A 24 12.453 -8.071 4.066 1.00 51.54 C ATOM 368 CG1 VAL A 24 13.554 -7.349 4.827 1.00 65.12 C ATOM 369 CG2 VAL A 24 11.324 -8.477 5.002 1.00 63.41 C ATOM 0 H VAL A 24 13.668 -6.141 2.456 1.00 3.24 H new ATOM 0 HA VAL A 24 11.210 -7.766 2.327 1.00 34.41 H new ATOM 0 HB VAL A 24 12.879 -8.976 3.632 1.00 51.54 H new ATOM 0 HG11 VAL A 24 13.922 -7.989 5.629 1.00 65.12 H new ATOM 0 HG12 VAL A 24 14.372 -7.113 4.147 1.00 65.12 H new ATOM 0 HG13 VAL A 24 13.158 -6.427 5.252 1.00 65.12 H new ATOM 0 HG21 VAL A 24 11.722 -9.101 5.802 1.00 63.41 H new ATOM 0 HG22 VAL A 24 10.868 -7.585 5.430 1.00 63.41 H new ATOM 0 HG23 VAL A 24 10.573 -9.037 4.445 1.00 63.41 H new ATOM 379 N VAL A 25 9.879 -5.932 3.330 1.00 4.15 N ATOM 380 CA VAL A 25 9.073 -4.835 3.853 1.00 24.20 C ATOM 381 C VAL A 25 8.087 -5.331 4.904 1.00 24.43 C ATOM 382 O VAL A 25 7.570 -6.444 4.811 1.00 24.30 O ATOM 383 CB VAL A 25 8.295 -4.125 2.729 1.00 41.03 C ATOM 384 CG1 VAL A 25 7.391 -5.110 2.001 1.00 22.42 C ATOM 385 CG2 VAL A 25 7.488 -2.964 3.291 1.00 62.33 C ATOM 0 H VAL A 25 9.350 -6.635 2.814 1.00 4.15 H new ATOM 0 HA VAL A 25 9.762 -4.126 4.311 1.00 24.20 H new ATOM 0 HB VAL A 25 9.011 -3.726 2.011 1.00 41.03 H new ATOM 0 HG11 VAL A 25 6.849 -4.591 1.210 1.00 22.42 H new ATOM 0 HG12 VAL A 25 7.996 -5.905 1.565 1.00 22.42 H new ATOM 0 HG13 VAL A 25 6.680 -5.541 2.706 1.00 22.42 H new ATOM 0 HG21 VAL A 25 6.945 -2.474 2.483 1.00 62.33 H new ATOM 0 HG22 VAL A 25 6.780 -3.338 4.030 1.00 62.33 H new ATOM 0 HG23 VAL A 25 8.161 -2.248 3.763 1.00 62.33 H new ATOM 395 N THR A 26 7.831 -4.496 5.907 1.00 42.15 N ATOM 396 CA THR A 26 6.907 -4.850 6.978 1.00 11.22 C ATOM 397 C THR A 26 5.907 -3.728 7.233 1.00 50.15 C ATOM 398 O THR A 26 6.071 -2.613 6.740 1.00 2.32 O ATOM 399 CB THR A 26 7.658 -5.161 8.286 1.00 32.43 C ATOM 400 OG1 THR A 26 8.864 -4.391 8.355 1.00 50.45 O ATOM 401 CG2 THR A 26 7.990 -6.642 8.381 1.00 71.21 C ATOM 0 H THR A 26 8.250 -3.571 6.000 1.00 42.15 H new ATOM 0 HA THR A 26 6.372 -5.743 6.654 1.00 11.22 H new ATOM 0 HB THR A 26 7.010 -4.896 9.122 1.00 32.43 H new ATOM 0 HG1 THR A 26 8.776 -3.594 7.792 1.00 50.45 H new ATOM 0 HG21 THR A 26 8.520 -6.837 9.313 1.00 71.21 H new ATOM 0 HG22 THR A 26 7.068 -7.224 8.359 1.00 71.21 H new ATOM 0 HG23 THR A 26 8.620 -6.928 7.539 1.00 71.21 H new ATOM 409 N ALA A 27 4.869 -4.032 8.007 1.00 44.22 N ATOM 410 CA ALA A 27 3.843 -3.049 8.330 1.00 44.10 C ATOM 411 C ALA A 27 4.451 -1.822 9.001 1.00 45.13 C ATOM 412 O ALA A 27 3.890 -0.728 8.940 1.00 13.43 O ATOM 413 CB ALA A 27 2.779 -3.669 9.222 1.00 23.40 C ATOM 0 H ALA A 27 4.717 -4.952 8.421 1.00 44.22 H new ATOM 0 HA ALA A 27 3.377 -2.728 7.399 1.00 44.10 H new ATOM 0 HB1 ALA A 27 2.019 -2.923 9.455 1.00 23.40 H new ATOM 0 HB2 ALA A 27 2.316 -4.509 8.705 1.00 23.40 H new ATOM 0 HB3 ALA A 27 3.238 -4.020 10.146 1.00 23.40 H new ATOM 419 N ASP A 28 5.599 -2.011 9.642 1.00 65.13 N ATOM 420 CA ASP A 28 6.283 -0.920 10.324 1.00 31.05 C ATOM 421 C ASP A 28 7.154 -0.131 9.351 1.00 34.21 C ATOM 422 O ASP A 28 7.517 1.015 9.617 1.00 54.35 O ATOM 423 CB ASP A 28 7.139 -1.462 11.469 1.00 73.44 C ATOM 424 CG ASP A 28 7.481 -0.397 12.493 1.00 45.11 C ATOM 425 OD1 ASP A 28 6.553 0.294 12.962 1.00 41.23 O ATOM 426 OD2 ASP A 28 8.678 -0.254 12.823 1.00 74.13 O ATOM 0 H ASP A 28 6.076 -2.911 9.703 1.00 65.13 H new ATOM 0 HA ASP A 28 5.527 -0.250 10.732 1.00 31.05 H new ATOM 0 HB2 ASP A 28 6.608 -2.277 11.961 1.00 73.44 H new ATOM 0 HB3 ASP A 28 8.060 -1.880 11.063 1.00 73.44 H new ATOM 431 N SER A 29 7.487 -0.753 8.225 1.00 10.42 N ATOM 432 CA SER A 29 8.319 -0.110 7.215 1.00 22.11 C ATOM 433 C SER A 29 7.584 1.061 6.571 1.00 4.21 C ATOM 434 O SER A 29 6.458 0.916 6.097 1.00 64.00 O ATOM 435 CB SER A 29 8.728 -1.122 6.142 1.00 22.54 C ATOM 436 OG SER A 29 9.520 -2.159 6.696 1.00 11.54 O ATOM 0 H SER A 29 7.194 -1.701 7.989 1.00 10.42 H new ATOM 0 HA SER A 29 9.214 0.271 7.706 1.00 22.11 H new ATOM 0 HB2 SER A 29 7.837 -1.547 5.680 1.00 22.54 H new ATOM 0 HB3 SER A 29 9.285 -0.616 5.354 1.00 22.54 H new ATOM 0 HG SER A 29 10.024 -2.602 5.982 1.00 11.54 H new ATOM 442 N GLU A 30 8.232 2.223 6.558 1.00 40.14 N ATOM 443 CA GLU A 30 7.640 3.419 5.972 1.00 1.14 C ATOM 444 C GLU A 30 8.029 3.556 4.502 1.00 34.33 C ATOM 445 O GLU A 30 9.187 3.358 4.134 1.00 12.22 O ATOM 446 CB GLU A 30 8.082 4.664 6.745 1.00 35.20 C ATOM 447 CG GLU A 30 7.830 4.572 8.241 1.00 25.53 C ATOM 448 CD GLU A 30 8.003 5.904 8.944 1.00 74.41 C ATOM 449 OE1 GLU A 30 7.014 6.663 9.027 1.00 52.23 O ATOM 450 OE2 GLU A 30 9.124 6.188 9.413 1.00 4.22 O ATOM 0 H GLU A 30 9.165 2.360 6.946 1.00 40.14 H new ATOM 0 HA GLU A 30 6.556 3.325 6.036 1.00 1.14 H new ATOM 0 HB2 GLU A 30 9.146 4.829 6.574 1.00 35.20 H new ATOM 0 HB3 GLU A 30 7.556 5.533 6.349 1.00 35.20 H new ATOM 0 HG2 GLU A 30 6.819 4.203 8.413 1.00 25.53 H new ATOM 0 HG3 GLU A 30 8.514 3.844 8.677 1.00 25.53 H new ATOM 457 N PHE A 31 7.052 3.896 3.668 1.00 64.51 N ATOM 458 CA PHE A 31 7.290 4.057 2.238 1.00 4.33 C ATOM 459 C PHE A 31 8.453 5.013 1.985 1.00 14.02 C ATOM 460 O PHE A 31 9.169 4.888 0.993 1.00 42.53 O ATOM 461 CB PHE A 31 6.029 4.575 1.544 1.00 33.13 C ATOM 462 CG PHE A 31 4.853 3.649 1.670 1.00 13.44 C ATOM 463 CD1 PHE A 31 4.849 2.422 1.027 1.00 73.53 C ATOM 464 CD2 PHE A 31 3.751 4.006 2.432 1.00 45.20 C ATOM 465 CE1 PHE A 31 3.767 1.569 1.141 1.00 53.33 C ATOM 466 CE2 PHE A 31 2.667 3.157 2.550 1.00 51.42 C ATOM 467 CZ PHE A 31 2.676 1.937 1.904 1.00 62.04 C ATOM 0 H PHE A 31 6.089 4.065 3.957 1.00 64.51 H new ATOM 0 HA PHE A 31 7.548 3.081 1.826 1.00 4.33 H new ATOM 0 HB2 PHE A 31 5.764 5.545 1.965 1.00 33.13 H new ATOM 0 HB3 PHE A 31 6.245 4.734 0.487 1.00 33.13 H new ATOM 0 HD1 PHE A 31 5.700 2.129 0.430 1.00 73.53 H new ATOM 0 HD2 PHE A 31 3.740 4.959 2.940 1.00 45.20 H new ATOM 0 HE1 PHE A 31 3.775 0.616 0.634 1.00 53.33 H new ATOM 0 HE2 PHE A 31 1.815 3.447 3.146 1.00 51.42 H new ATOM 0 HZ PHE A 31 1.831 1.271 1.995 1.00 62.04 H new ATOM 477 N SER A 32 8.632 5.969 2.891 1.00 60.34 N ATOM 478 CA SER A 32 9.704 6.949 2.765 1.00 14.21 C ATOM 479 C SER A 32 11.051 6.332 3.129 1.00 51.21 C ATOM 480 O SER A 32 12.077 6.650 2.527 1.00 35.12 O ATOM 481 CB SER A 32 9.426 8.159 3.660 1.00 53.15 C ATOM 482 OG SER A 32 10.515 9.065 3.647 1.00 31.11 O ATOM 0 H SER A 32 8.049 6.086 3.720 1.00 60.34 H new ATOM 0 HA SER A 32 9.743 7.276 1.726 1.00 14.21 H new ATOM 0 HB2 SER A 32 8.523 8.666 3.320 1.00 53.15 H new ATOM 0 HB3 SER A 32 9.239 7.825 4.681 1.00 53.15 H new ATOM 0 HG SER A 32 10.311 9.830 4.225 1.00 31.11 H new ATOM 488 N LYS A 33 11.040 5.447 4.120 1.00 13.24 N ATOM 489 CA LYS A 33 12.259 4.783 4.566 1.00 61.41 C ATOM 490 C LYS A 33 12.661 3.675 3.597 1.00 54.12 C ATOM 491 O LYS A 33 13.847 3.405 3.404 1.00 55.32 O ATOM 492 CB LYS A 33 12.063 4.202 5.969 1.00 43.25 C ATOM 493 CG LYS A 33 12.402 5.177 7.083 1.00 74.41 C ATOM 494 CD LYS A 33 12.783 4.450 8.362 1.00 62.40 C ATOM 495 CE LYS A 33 12.617 5.344 9.582 1.00 4.54 C ATOM 496 NZ LYS A 33 13.508 6.536 9.520 1.00 32.44 N ATOM 0 H LYS A 33 10.200 5.173 4.630 1.00 13.24 H new ATOM 0 HA LYS A 33 13.058 5.524 4.594 1.00 61.41 H new ATOM 0 HB2 LYS A 33 11.027 3.883 6.080 1.00 43.25 H new ATOM 0 HB3 LYS A 33 12.684 3.312 6.075 1.00 43.25 H new ATOM 0 HG2 LYS A 33 13.225 5.818 6.769 1.00 74.41 H new ATOM 0 HG3 LYS A 33 11.547 5.826 7.273 1.00 74.41 H new ATOM 0 HD2 LYS A 33 12.163 3.560 8.474 1.00 62.40 H new ATOM 0 HD3 LYS A 33 13.817 4.112 8.295 1.00 62.40 H new ATOM 0 HE2 LYS A 33 11.579 5.669 9.656 1.00 4.54 H new ATOM 0 HE3 LYS A 33 12.837 4.773 10.484 1.00 4.54 H new ATOM 0 HZ1 LYS A 33 13.416 7.084 10.399 1.00 32.44 H new ATOM 0 HZ2 LYS A 33 14.494 6.227 9.407 1.00 32.44 H new ATOM 0 HZ3 LYS A 33 13.237 7.130 8.711 1.00 32.44 H new ATOM 510 N LEU A 34 11.666 3.037 2.991 1.00 43.35 N ATOM 511 CA LEU A 34 11.916 1.959 2.039 1.00 53.50 C ATOM 512 C LEU A 34 12.596 2.490 0.782 1.00 42.25 C ATOM 513 O LEU A 34 13.232 1.738 0.043 1.00 54.44 O ATOM 514 CB LEU A 34 10.604 1.265 1.670 1.00 42.12 C ATOM 515 CG LEU A 34 9.935 0.458 2.782 1.00 32.34 C ATOM 516 CD1 LEU A 34 8.625 -0.140 2.295 1.00 54.12 C ATOM 517 CD2 LEU A 34 10.868 -0.634 3.285 1.00 51.53 C ATOM 0 H LEU A 34 10.679 3.247 3.141 1.00 43.35 H new ATOM 0 HA LEU A 34 12.582 1.236 2.511 1.00 53.50 H new ATOM 0 HB2 LEU A 34 9.900 2.023 1.325 1.00 42.12 H new ATOM 0 HB3 LEU A 34 10.793 0.599 0.828 1.00 42.12 H new ATOM 0 HG LEU A 34 9.717 1.131 3.611 1.00 32.34 H new ATOM 0 HD11 LEU A 34 8.164 -0.711 3.101 1.00 54.12 H new ATOM 0 HD12 LEU A 34 7.952 0.660 1.986 1.00 54.12 H new ATOM 0 HD13 LEU A 34 8.818 -0.799 1.448 1.00 54.12 H new ATOM 0 HD21 LEU A 34 10.375 -1.198 4.076 1.00 51.53 H new ATOM 0 HD22 LEU A 34 11.119 -1.305 2.463 1.00 51.53 H new ATOM 0 HD23 LEU A 34 11.780 -0.182 3.676 1.00 51.53 H new ATOM 529 N GLY A 35 12.458 3.791 0.544 1.00 21.43 N ATOM 530 CA GLY A 35 13.067 4.400 -0.625 1.00 35.41 C ATOM 531 C GLY A 35 12.042 4.821 -1.658 1.00 53.53 C ATOM 532 O GLY A 35 12.371 5.010 -2.829 1.00 0.35 O ATOM 0 H GLY A 35 11.936 4.434 1.139 1.00 21.43 H new ATOM 0 HA2 GLY A 35 13.647 5.270 -0.317 1.00 35.41 H new ATOM 0 HA3 GLY A 35 13.765 3.695 -1.076 1.00 35.41 H new ATOM 536 N ALA A 36 10.793 4.968 -1.226 1.00 55.11 N ATOM 537 CA ALA A 36 9.717 5.369 -2.123 1.00 13.43 C ATOM 538 C ALA A 36 9.449 6.868 -2.023 1.00 44.20 C ATOM 539 O ALA A 36 8.940 7.352 -1.013 1.00 42.23 O ATOM 540 CB ALA A 36 8.450 4.584 -1.813 1.00 21.12 C ATOM 0 H ALA A 36 10.502 4.815 -0.260 1.00 55.11 H new ATOM 0 HA ALA A 36 10.028 5.148 -3.144 1.00 13.43 H new ATOM 0 HB1 ALA A 36 7.655 4.894 -2.491 1.00 21.12 H new ATOM 0 HB2 ALA A 36 8.641 3.519 -1.942 1.00 21.12 H new ATOM 0 HB3 ALA A 36 8.145 4.776 -0.784 1.00 21.12 H new ATOM 546 N ASP A 37 9.798 7.597 -3.078 1.00 21.21 N ATOM 547 CA ASP A 37 9.596 9.041 -3.109 1.00 45.34 C ATOM 548 C ASP A 37 8.146 9.379 -3.440 1.00 12.24 C ATOM 549 O ASP A 37 7.320 8.489 -3.638 1.00 54.11 O ATOM 550 CB ASP A 37 10.529 9.686 -4.135 1.00 21.25 C ATOM 551 CG ASP A 37 11.971 9.248 -3.962 1.00 12.13 C ATOM 552 OD1 ASP A 37 12.591 9.635 -2.948 1.00 61.34 O ATOM 553 OD2 ASP A 37 12.479 8.519 -4.839 1.00 54.14 O ATOM 0 H ASP A 37 10.222 7.212 -3.922 1.00 21.21 H new ATOM 0 HA ASP A 37 9.827 9.437 -2.120 1.00 45.34 H new ATOM 0 HB2 ASP A 37 10.192 9.430 -5.140 1.00 21.25 H new ATOM 0 HB3 ASP A 37 10.468 10.771 -4.046 1.00 21.25 H new ATOM 558 N SER A 38 7.843 10.672 -3.497 1.00 2.42 N ATOM 559 CA SER A 38 6.492 11.129 -3.798 1.00 42.04 C ATOM 560 C SER A 38 6.006 10.551 -5.124 1.00 63.22 C ATOM 561 O SER A 38 4.812 10.314 -5.312 1.00 65.53 O ATOM 562 CB SER A 38 6.446 12.657 -3.848 1.00 23.13 C ATOM 563 OG SER A 38 5.109 13.127 -3.880 1.00 1.14 O ATOM 0 H SER A 38 8.516 11.422 -3.338 1.00 2.42 H new ATOM 0 HA SER A 38 5.832 10.779 -3.004 1.00 42.04 H new ATOM 0 HB2 SER A 38 6.958 13.068 -2.978 1.00 23.13 H new ATOM 0 HB3 SER A 38 6.980 13.011 -4.729 1.00 23.13 H new ATOM 0 HG SER A 38 5.107 14.107 -3.910 1.00 1.14 H new ATOM 569 N LEU A 39 6.940 10.328 -6.042 1.00 61.41 N ATOM 570 CA LEU A 39 6.610 9.777 -7.353 1.00 34.52 C ATOM 571 C LEU A 39 6.316 8.283 -7.257 1.00 61.41 C ATOM 572 O LEU A 39 5.589 7.729 -8.080 1.00 43.23 O ATOM 573 CB LEU A 39 7.756 10.021 -8.334 1.00 45.33 C ATOM 574 CG LEU A 39 8.302 11.449 -8.388 1.00 73.24 C ATOM 575 CD1 LEU A 39 9.699 11.465 -8.986 1.00 65.12 C ATOM 576 CD2 LEU A 39 7.368 12.347 -9.185 1.00 55.21 C ATOM 0 H LEU A 39 7.932 10.520 -5.903 1.00 61.41 H new ATOM 0 HA LEU A 39 5.715 10.282 -7.717 1.00 34.52 H new ATOM 0 HB2 LEU A 39 8.576 9.350 -8.078 1.00 45.33 H new ATOM 0 HB3 LEU A 39 7.418 9.745 -9.333 1.00 45.33 H new ATOM 0 HG LEU A 39 8.362 11.833 -7.370 1.00 73.24 H new ATOM 0 HD11 LEU A 39 10.070 12.489 -9.016 1.00 65.12 H new ATOM 0 HD12 LEU A 39 10.364 10.856 -8.374 1.00 65.12 H new ATOM 0 HD13 LEU A 39 9.666 11.061 -9.998 1.00 65.12 H new ATOM 0 HD21 LEU A 39 7.772 13.359 -9.213 1.00 55.21 H new ATOM 0 HD22 LEU A 39 7.276 11.965 -10.202 1.00 55.21 H new ATOM 0 HD23 LEU A 39 6.386 12.361 -8.712 1.00 55.21 H new ATOM 588 N ASP A 40 6.886 7.637 -6.245 1.00 1.42 N ATOM 589 CA ASP A 40 6.683 6.207 -6.039 1.00 51.43 C ATOM 590 C ASP A 40 5.362 5.944 -5.324 1.00 23.32 C ATOM 591 O ASP A 40 4.539 5.153 -5.786 1.00 2.12 O ATOM 592 CB ASP A 40 7.841 5.617 -5.233 1.00 4.32 C ATOM 593 CG ASP A 40 9.019 5.236 -6.108 1.00 4.02 C ATOM 594 OD1 ASP A 40 8.946 4.184 -6.777 1.00 40.32 O ATOM 595 OD2 ASP A 40 10.015 5.989 -6.123 1.00 13.33 O ATOM 0 H ASP A 40 7.492 8.081 -5.555 1.00 1.42 H new ATOM 0 HA ASP A 40 6.649 5.725 -7.016 1.00 51.43 H new ATOM 0 HB2 ASP A 40 8.166 6.341 -4.486 1.00 4.32 H new ATOM 0 HB3 ASP A 40 7.493 4.736 -4.693 1.00 4.32 H new ATOM 600 N THR A 41 5.166 6.611 -4.190 1.00 70.54 N ATOM 601 CA THR A 41 3.946 6.446 -3.409 1.00 33.44 C ATOM 602 C THR A 41 2.709 6.546 -4.293 1.00 72.31 C ATOM 603 O THR A 41 1.845 5.669 -4.270 1.00 14.04 O ATOM 604 CB THR A 41 3.850 7.501 -2.290 1.00 42.10 C ATOM 605 OG1 THR A 41 5.104 7.606 -1.607 1.00 3.24 O ATOM 606 CG2 THR A 41 2.756 7.138 -1.298 1.00 35.43 C ATOM 0 H THR A 41 5.836 7.270 -3.793 1.00 70.54 H new ATOM 0 HA THR A 41 3.989 5.453 -2.961 1.00 33.44 H new ATOM 0 HB THR A 41 3.603 8.460 -2.745 1.00 42.10 H new ATOM 0 HG1 THR A 41 5.035 8.280 -0.899 1.00 3.24 H new ATOM 0 HG21 THR A 41 2.707 7.897 -0.517 1.00 35.43 H new ATOM 0 HG22 THR A 41 1.798 7.087 -1.815 1.00 35.43 H new ATOM 0 HG23 THR A 41 2.978 6.170 -0.849 1.00 35.43 H new ATOM 614 N VAL A 42 2.630 7.619 -5.073 1.00 50.25 N ATOM 615 CA VAL A 42 1.498 7.831 -5.968 1.00 41.40 C ATOM 616 C VAL A 42 1.250 6.607 -6.841 1.00 52.42 C ATOM 617 O VAL A 42 0.107 6.281 -7.159 1.00 72.21 O ATOM 618 CB VAL A 42 1.721 9.057 -6.873 1.00 14.42 C ATOM 619 CG1 VAL A 42 2.996 8.897 -7.687 1.00 70.34 C ATOM 620 CG2 VAL A 42 0.521 9.273 -7.783 1.00 74.40 C ATOM 0 H VAL A 42 3.336 8.355 -5.104 1.00 50.25 H new ATOM 0 HA VAL A 42 0.626 8.007 -5.339 1.00 41.40 H new ATOM 0 HB VAL A 42 1.832 9.938 -6.240 1.00 14.42 H new ATOM 0 HG11 VAL A 42 3.136 9.773 -8.320 1.00 70.34 H new ATOM 0 HG12 VAL A 42 3.847 8.796 -7.014 1.00 70.34 H new ATOM 0 HG13 VAL A 42 2.920 8.007 -8.311 1.00 70.34 H new ATOM 0 HG21 VAL A 42 0.696 10.143 -8.415 1.00 74.40 H new ATOM 0 HG22 VAL A 42 0.376 8.393 -8.409 1.00 74.40 H new ATOM 0 HG23 VAL A 42 -0.370 9.438 -7.177 1.00 74.40 H new ATOM 630 N GLU A 43 2.330 5.933 -7.227 1.00 55.30 N ATOM 631 CA GLU A 43 2.228 4.745 -8.064 1.00 41.04 C ATOM 632 C GLU A 43 1.723 3.552 -7.258 1.00 61.25 C ATOM 633 O GLU A 43 1.051 2.668 -7.791 1.00 1.43 O ATOM 634 CB GLU A 43 3.586 4.414 -8.687 1.00 52.42 C ATOM 635 CG GLU A 43 3.665 4.721 -10.174 1.00 71.20 C ATOM 636 CD GLU A 43 2.706 3.879 -10.994 1.00 14.43 C ATOM 637 OE1 GLU A 43 2.044 2.995 -10.412 1.00 73.30 O ATOM 638 OE2 GLU A 43 2.618 4.106 -12.219 1.00 40.24 O ATOM 0 H GLU A 43 3.284 6.190 -6.973 1.00 55.30 H new ATOM 0 HA GLU A 43 1.512 4.954 -8.859 1.00 41.04 H new ATOM 0 HB2 GLU A 43 4.362 4.976 -8.167 1.00 52.42 H new ATOM 0 HB3 GLU A 43 3.800 3.357 -8.531 1.00 52.42 H new ATOM 0 HG2 GLU A 43 3.446 5.776 -10.336 1.00 71.20 H new ATOM 0 HG3 GLU A 43 4.683 4.550 -10.523 1.00 71.20 H new ATOM 645 N ILE A 44 2.052 3.533 -5.970 1.00 13.50 N ATOM 646 CA ILE A 44 1.632 2.451 -5.090 1.00 74.23 C ATOM 647 C ILE A 44 0.111 2.356 -5.022 1.00 51.50 C ATOM 648 O ILE A 44 -0.453 1.262 -4.997 1.00 31.15 O ATOM 649 CB ILE A 44 2.187 2.635 -3.666 1.00 22.41 C ATOM 650 CG1 ILE A 44 3.703 2.842 -3.710 1.00 32.04 C ATOM 651 CG2 ILE A 44 1.836 1.434 -2.801 1.00 21.14 C ATOM 652 CD1 ILE A 44 4.423 1.851 -4.598 1.00 14.15 C ATOM 0 H ILE A 44 2.609 4.256 -5.514 1.00 13.50 H new ATOM 0 HA ILE A 44 2.033 1.529 -5.511 1.00 74.23 H new ATOM 0 HB ILE A 44 1.730 3.521 -3.225 1.00 22.41 H new ATOM 0 HG12 ILE A 44 3.914 3.852 -4.061 1.00 32.04 H new ATOM 0 HG13 ILE A 44 4.101 2.767 -2.698 1.00 32.04 H new ATOM 0 HG21 ILE A 44 2.235 1.579 -1.797 1.00 21.14 H new ATOM 0 HG22 ILE A 44 0.752 1.328 -2.748 1.00 21.14 H new ATOM 0 HG23 ILE A 44 2.268 0.533 -3.237 1.00 21.14 H new ATOM 0 HD11 ILE A 44 5.493 2.058 -4.581 1.00 14.15 H new ATOM 0 HD12 ILE A 44 4.243 0.839 -4.235 1.00 14.15 H new ATOM 0 HD13 ILE A 44 4.052 1.941 -5.619 1.00 14.15 H new ATOM 664 N VAL A 45 -0.547 3.511 -4.994 1.00 61.23 N ATOM 665 CA VAL A 45 -2.003 3.558 -4.932 1.00 14.50 C ATOM 666 C VAL A 45 -2.625 3.135 -6.258 1.00 65.03 C ATOM 667 O VAL A 45 -3.670 2.486 -6.286 1.00 1.02 O ATOM 668 CB VAL A 45 -2.504 4.970 -4.571 1.00 22.21 C ATOM 669 CG1 VAL A 45 -4.004 4.958 -4.323 1.00 21.24 C ATOM 670 CG2 VAL A 45 -1.758 5.506 -3.358 1.00 62.45 C ATOM 0 H VAL A 45 -0.095 4.425 -5.013 1.00 61.23 H new ATOM 0 HA VAL A 45 -2.308 2.860 -4.152 1.00 14.50 H new ATOM 0 HB VAL A 45 -2.305 5.633 -5.413 1.00 22.21 H new ATOM 0 HG11 VAL A 45 -4.339 5.964 -4.069 1.00 21.24 H new ATOM 0 HG12 VAL A 45 -4.519 4.620 -5.222 1.00 21.24 H new ATOM 0 HG13 VAL A 45 -4.231 4.282 -3.499 1.00 21.24 H new ATOM 0 HG21 VAL A 45 -2.124 6.504 -3.117 1.00 62.45 H new ATOM 0 HG22 VAL A 45 -1.923 4.844 -2.508 1.00 62.45 H new ATOM 0 HG23 VAL A 45 -0.692 5.555 -3.579 1.00 62.45 H new ATOM 680 N MET A 46 -1.973 3.506 -7.355 1.00 43.12 N ATOM 681 CA MET A 46 -2.461 3.163 -8.686 1.00 65.14 C ATOM 682 C MET A 46 -2.486 1.649 -8.882 1.00 12.34 C ATOM 683 O MET A 46 -3.470 1.093 -9.367 1.00 32.54 O ATOM 684 CB MET A 46 -1.585 3.814 -9.758 1.00 63.34 C ATOM 685 CG MET A 46 -2.315 4.075 -11.065 1.00 75.43 C ATOM 686 SD MET A 46 -1.271 4.875 -12.297 1.00 50.14 S ATOM 687 CE MET A 46 -0.744 6.333 -11.400 1.00 51.00 C ATOM 0 H MET A 46 -1.106 4.044 -7.349 1.00 43.12 H new ATOM 0 HA MET A 46 -3.479 3.541 -8.781 1.00 65.14 H new ATOM 0 HB2 MET A 46 -1.196 4.757 -9.374 1.00 63.34 H new ATOM 0 HB3 MET A 46 -0.726 3.171 -9.953 1.00 63.34 H new ATOM 0 HG2 MET A 46 -2.684 3.131 -11.465 1.00 75.43 H new ATOM 0 HG3 MET A 46 -3.186 4.701 -10.871 1.00 75.43 H new ATOM 0 HE1 MET A 46 -0.587 7.154 -12.100 1.00 51.00 H new ATOM 0 HE2 MET A 46 -1.511 6.613 -10.678 1.00 51.00 H new ATOM 0 HE3 MET A 46 0.188 6.121 -10.875 1.00 51.00 H new ATOM 697 N ASN A 47 -1.395 0.991 -8.504 1.00 33.43 N ATOM 698 CA ASN A 47 -1.292 -0.458 -8.639 1.00 13.35 C ATOM 699 C ASN A 47 -2.293 -1.162 -7.728 1.00 34.10 C ATOM 700 O ASN A 47 -2.951 -2.120 -8.134 1.00 75.43 O ATOM 701 CB ASN A 47 0.128 -0.921 -8.310 1.00 63.31 C ATOM 702 CG ASN A 47 1.083 -0.727 -9.472 1.00 32.44 C ATOM 703 OD1 ASN A 47 1.022 0.442 -10.098 1.00 0.03 O flip ATOM 704 ND2 ASN A 47 1.867 -1.618 -9.801 1.00 22.14 N flip ATOM 0 H ASN A 47 -0.570 1.437 -8.102 1.00 33.43 H new ATOM 0 HA ASN A 47 -1.522 -0.719 -9.672 1.00 13.35 H new ATOM 0 HB2 ASN A 47 0.496 -0.369 -7.445 1.00 63.31 H new ATOM 0 HB3 ASN A 47 0.108 -1.975 -8.031 1.00 63.31 H new ATOM 0 HD21 ASN A 47 1.879 -2.501 -9.291 1.00 22.14 H new ATOM 0 HD22 ASN A 47 2.505 -1.473 -10.584 1.00 22.14 H new ATOM 711 N LEU A 48 -2.404 -0.680 -6.494 1.00 4.22 N ATOM 712 CA LEU A 48 -3.324 -1.262 -5.525 1.00 55.44 C ATOM 713 C LEU A 48 -4.770 -1.107 -5.986 1.00 65.02 C ATOM 714 O LEU A 48 -5.556 -2.052 -5.923 1.00 61.12 O ATOM 715 CB LEU A 48 -3.141 -0.602 -4.157 1.00 23.15 C ATOM 716 CG LEU A 48 -1.829 -0.911 -3.434 1.00 72.50 C ATOM 717 CD1 LEU A 48 -1.615 0.056 -2.280 1.00 20.12 C ATOM 718 CD2 LEU A 48 -1.822 -2.349 -2.934 1.00 44.43 C ATOM 0 H LEU A 48 -1.867 0.113 -6.142 1.00 4.22 H new ATOM 0 HA LEU A 48 -3.099 -2.325 -5.442 1.00 55.44 H new ATOM 0 HB2 LEU A 48 -3.218 0.478 -4.283 1.00 23.15 H new ATOM 0 HB3 LEU A 48 -3.967 -0.907 -3.515 1.00 23.15 H new ATOM 0 HG LEU A 48 -1.009 -0.788 -4.141 1.00 72.50 H new ATOM 0 HD11 LEU A 48 -0.677 -0.179 -1.777 1.00 20.12 H new ATOM 0 HD12 LEU A 48 -1.576 1.076 -2.662 1.00 20.12 H new ATOM 0 HD13 LEU A 48 -2.439 -0.035 -1.572 1.00 20.12 H new ATOM 0 HD21 LEU A 48 -0.881 -2.552 -2.422 1.00 44.43 H new ATOM 0 HD22 LEU A 48 -2.651 -2.498 -2.242 1.00 44.43 H new ATOM 0 HD23 LEU A 48 -1.929 -3.029 -3.779 1.00 44.43 H new ATOM 730 N GLU A 49 -5.113 0.091 -6.451 1.00 64.42 N ATOM 731 CA GLU A 49 -6.464 0.367 -6.924 1.00 2.40 C ATOM 732 C GLU A 49 -6.877 -0.628 -8.005 1.00 25.43 C ATOM 733 O GLU A 49 -8.024 -1.072 -8.048 1.00 1.13 O ATOM 734 CB GLU A 49 -6.555 1.794 -7.470 1.00 14.20 C ATOM 735 CG GLU A 49 -6.718 2.849 -6.388 1.00 45.25 C ATOM 736 CD GLU A 49 -6.682 4.261 -6.941 1.00 63.32 C ATOM 737 OE1 GLU A 49 -6.727 4.414 -8.180 1.00 71.42 O ATOM 738 OE2 GLU A 49 -6.609 5.212 -6.135 1.00 3.31 O ATOM 0 H GLU A 49 -4.475 0.884 -6.510 1.00 64.42 H new ATOM 0 HA GLU A 49 -7.145 0.263 -6.079 1.00 2.40 H new ATOM 0 HB2 GLU A 49 -5.656 2.012 -8.046 1.00 14.20 H new ATOM 0 HB3 GLU A 49 -7.398 1.858 -8.158 1.00 14.20 H new ATOM 0 HG2 GLU A 49 -7.664 2.690 -5.870 1.00 45.25 H new ATOM 0 HG3 GLU A 49 -5.926 2.732 -5.649 1.00 45.25 H new ATOM 745 N GLU A 50 -5.933 -0.974 -8.875 1.00 32.12 N ATOM 746 CA GLU A 50 -6.199 -1.916 -9.956 1.00 73.24 C ATOM 747 C GLU A 50 -6.275 -3.345 -9.426 1.00 0.20 C ATOM 748 O GLU A 50 -6.958 -4.194 -9.998 1.00 30.04 O ATOM 749 CB GLU A 50 -5.113 -1.815 -11.029 1.00 42.14 C ATOM 750 CG GLU A 50 -5.446 -2.571 -12.305 1.00 20.01 C ATOM 751 CD GLU A 50 -6.630 -1.976 -13.043 1.00 0.24 C ATOM 752 OE1 GLU A 50 -6.435 -0.976 -13.767 1.00 62.23 O ATOM 753 OE2 GLU A 50 -7.749 -2.508 -12.897 1.00 54.42 O ATOM 0 H GLU A 50 -4.978 -0.616 -8.852 1.00 32.12 H new ATOM 0 HA GLU A 50 -7.162 -1.660 -10.399 1.00 73.24 H new ATOM 0 HB2 GLU A 50 -4.950 -0.765 -11.271 1.00 42.14 H new ATOM 0 HB3 GLU A 50 -4.177 -2.198 -10.623 1.00 42.14 H new ATOM 0 HG2 GLU A 50 -4.576 -2.570 -12.961 1.00 20.01 H new ATOM 0 HG3 GLU A 50 -5.660 -3.612 -12.061 1.00 20.01 H new ATOM 760 N GLU A 51 -5.569 -3.602 -8.330 1.00 24.11 N ATOM 761 CA GLU A 51 -5.554 -4.928 -7.723 1.00 50.34 C ATOM 762 C GLU A 51 -6.872 -5.213 -7.007 1.00 43.40 C ATOM 763 O GLU A 51 -7.507 -6.241 -7.239 1.00 33.20 O ATOM 764 CB GLU A 51 -4.389 -5.051 -6.740 1.00 21.40 C ATOM 765 CG GLU A 51 -4.097 -6.482 -6.319 1.00 62.03 C ATOM 766 CD GLU A 51 -3.287 -7.241 -7.353 1.00 4.55 C ATOM 767 OE1 GLU A 51 -2.134 -6.839 -7.615 1.00 13.31 O ATOM 768 OE2 GLU A 51 -3.807 -8.235 -7.899 1.00 4.30 O ATOM 0 H GLU A 51 -5.000 -2.909 -7.844 1.00 24.11 H new ATOM 0 HA GLU A 51 -5.426 -5.662 -8.518 1.00 50.34 H new ATOM 0 HB2 GLU A 51 -3.494 -4.625 -7.194 1.00 21.40 H new ATOM 0 HB3 GLU A 51 -4.609 -4.458 -5.853 1.00 21.40 H new ATOM 0 HG2 GLU A 51 -3.556 -6.475 -5.373 1.00 62.03 H new ATOM 0 HG3 GLU A 51 -5.038 -7.005 -6.145 1.00 62.03 H new ATOM 775 N PHE A 52 -7.274 -4.294 -6.135 1.00 12.34 N ATOM 776 CA PHE A 52 -8.514 -4.445 -5.383 1.00 72.23 C ATOM 777 C PHE A 52 -9.680 -3.792 -6.119 1.00 51.51 C ATOM 778 O PHE A 52 -10.767 -3.630 -5.565 1.00 72.54 O ATOM 779 CB PHE A 52 -8.368 -3.832 -3.989 1.00 40.43 C ATOM 780 CG PHE A 52 -7.216 -4.391 -3.205 1.00 24.02 C ATOM 781 CD1 PHE A 52 -7.365 -5.552 -2.462 1.00 4.43 C ATOM 782 CD2 PHE A 52 -5.984 -3.758 -3.213 1.00 22.44 C ATOM 783 CE1 PHE A 52 -6.306 -6.068 -1.740 1.00 13.35 C ATOM 784 CE2 PHE A 52 -4.921 -4.270 -2.491 1.00 44.13 C ATOM 785 CZ PHE A 52 -5.082 -5.427 -1.756 1.00 34.02 C ATOM 0 H PHE A 52 -6.759 -3.437 -5.932 1.00 12.34 H new ATOM 0 HA PHE A 52 -8.722 -5.510 -5.284 1.00 72.23 H new ATOM 0 HB2 PHE A 52 -8.241 -2.754 -4.087 1.00 40.43 H new ATOM 0 HB3 PHE A 52 -9.290 -3.995 -3.431 1.00 40.43 H new ATOM 0 HD1 PHE A 52 -8.319 -6.058 -2.447 1.00 4.43 H new ATOM 0 HD2 PHE A 52 -5.852 -2.854 -3.790 1.00 22.44 H new ATOM 0 HE1 PHE A 52 -6.435 -6.972 -1.163 1.00 13.35 H new ATOM 0 HE2 PHE A 52 -3.966 -3.765 -2.502 1.00 44.13 H new ATOM 0 HZ PHE A 52 -4.253 -5.831 -1.194 1.00 34.02 H new ATOM 795 N GLY A 53 -9.445 -3.417 -7.373 1.00 52.30 N ATOM 796 CA GLY A 53 -10.485 -2.785 -8.166 1.00 22.13 C ATOM 797 C GLY A 53 -11.115 -1.604 -7.457 1.00 14.34 C ATOM 798 O GLY A 53 -12.280 -1.279 -7.693 1.00 10.33 O ATOM 0 H GLY A 53 -8.554 -3.539 -7.854 1.00 52.30 H new ATOM 0 HA2 GLY A 53 -10.063 -2.453 -9.115 1.00 22.13 H new ATOM 0 HA3 GLY A 53 -11.256 -3.519 -8.399 1.00 22.13 H new ATOM 802 N ILE A 54 -10.347 -0.959 -6.585 1.00 54.14 N ATOM 803 CA ILE A 54 -10.839 0.193 -5.839 1.00 1.31 C ATOM 804 C ILE A 54 -10.304 1.496 -6.424 1.00 23.11 C ATOM 805 O ILE A 54 -9.547 1.487 -7.394 1.00 15.50 O ATOM 806 CB ILE A 54 -10.446 0.111 -4.352 1.00 52.10 C ATOM 807 CG1 ILE A 54 -8.923 0.102 -4.205 1.00 21.14 C ATOM 808 CG2 ILE A 54 -11.053 -1.129 -3.711 1.00 2.55 C ATOM 809 CD1 ILE A 54 -8.453 0.265 -2.777 1.00 74.52 C ATOM 0 H ILE A 54 -9.382 -1.215 -6.378 1.00 54.14 H new ATOM 0 HA ILE A 54 -11.926 0.180 -5.920 1.00 1.31 H new ATOM 0 HB ILE A 54 -10.837 0.990 -3.839 1.00 52.10 H new ATOM 0 HG12 ILE A 54 -8.533 -0.835 -4.602 1.00 21.14 H new ATOM 0 HG13 ILE A 54 -8.503 0.905 -4.811 1.00 21.14 H new ATOM 0 HG21 ILE A 54 -10.766 -1.173 -2.660 1.00 2.55 H new ATOM 0 HG22 ILE A 54 -12.139 -1.084 -3.789 1.00 2.55 H new ATOM 0 HG23 ILE A 54 -10.689 -2.019 -4.224 1.00 2.55 H new ATOM 0 HD11 ILE A 54 -7.363 0.249 -2.749 1.00 74.52 H new ATOM 0 HD12 ILE A 54 -8.813 1.215 -2.382 1.00 74.52 H new ATOM 0 HD13 ILE A 54 -8.844 -0.552 -2.170 1.00 74.52 H new ATOM 821 N ASN A 55 -10.701 2.613 -5.826 1.00 12.13 N ATOM 822 CA ASN A 55 -10.260 3.926 -6.286 1.00 63.41 C ATOM 823 C ASN A 55 -10.203 4.918 -5.128 1.00 43.25 C ATOM 824 O ASN A 55 -11.140 5.020 -4.337 1.00 71.05 O ATOM 825 CB ASN A 55 -11.199 4.448 -7.375 1.00 10.42 C ATOM 826 CG ASN A 55 -12.643 4.057 -7.130 1.00 0.31 C ATOM 827 OD1 ASN A 55 -13.222 3.274 -7.883 1.00 62.01 O ATOM 828 ND2 ASN A 55 -13.232 4.604 -6.073 1.00 74.14 N ATOM 0 H ASN A 55 -11.327 2.637 -5.021 1.00 12.13 H new ATOM 0 HA ASN A 55 -9.257 3.821 -6.700 1.00 63.41 H new ATOM 0 HB2 ASN A 55 -11.123 5.534 -7.426 1.00 10.42 H new ATOM 0 HB3 ASN A 55 -10.880 4.060 -8.342 1.00 10.42 H new ATOM 0 HD21 ASN A 55 -14.204 4.380 -5.858 1.00 74.14 H new ATOM 0 HD22 ASN A 55 -12.713 5.248 -5.476 1.00 74.14 H new ATOM 835 N VAL A 56 -9.096 5.649 -5.037 1.00 71.40 N ATOM 836 CA VAL A 56 -8.917 6.634 -3.977 1.00 25.41 C ATOM 837 C VAL A 56 -8.038 7.789 -4.444 1.00 62.32 C ATOM 838 O VAL A 56 -7.108 7.598 -5.228 1.00 62.20 O ATOM 839 CB VAL A 56 -8.289 6.000 -2.722 1.00 11.52 C ATOM 840 CG1 VAL A 56 -6.945 5.371 -3.056 1.00 44.02 C ATOM 841 CG2 VAL A 56 -8.141 7.038 -1.619 1.00 43.25 C ATOM 0 H VAL A 56 -8.311 5.578 -5.684 1.00 71.40 H new ATOM 0 HA VAL A 56 -9.908 7.013 -3.726 1.00 25.41 H new ATOM 0 HB VAL A 56 -8.952 5.213 -2.363 1.00 11.52 H new ATOM 0 HG11 VAL A 56 -6.517 4.928 -2.157 1.00 44.02 H new ATOM 0 HG12 VAL A 56 -7.083 4.597 -3.811 1.00 44.02 H new ATOM 0 HG13 VAL A 56 -6.271 6.136 -3.440 1.00 44.02 H new ATOM 0 HG21 VAL A 56 -7.696 6.573 -0.739 1.00 43.25 H new ATOM 0 HG22 VAL A 56 -7.499 7.848 -1.965 1.00 43.25 H new ATOM 0 HG23 VAL A 56 -9.122 7.437 -1.361 1.00 43.25 H new ATOM 851 N ASP A 57 -8.338 8.987 -3.958 1.00 12.23 N ATOM 852 CA ASP A 57 -7.574 10.175 -4.324 1.00 34.12 C ATOM 853 C ASP A 57 -6.272 10.247 -3.535 1.00 4.04 C ATOM 854 O ASP A 57 -6.178 9.726 -2.424 1.00 73.10 O ATOM 855 CB ASP A 57 -8.404 11.437 -4.079 1.00 23.23 C ATOM 856 CG ASP A 57 -7.966 12.595 -4.952 1.00 10.52 C ATOM 857 OD1 ASP A 57 -7.794 12.388 -6.173 1.00 13.10 O ATOM 858 OD2 ASP A 57 -7.795 13.710 -4.417 1.00 3.13 O ATOM 0 H ASP A 57 -9.105 9.163 -3.309 1.00 12.23 H new ATOM 0 HA ASP A 57 -7.332 10.109 -5.385 1.00 34.12 H new ATOM 0 HB2 ASP A 57 -9.455 11.220 -4.269 1.00 23.23 H new ATOM 0 HB3 ASP A 57 -8.322 11.725 -3.031 1.00 23.23 H new ATOM 863 N GLU A 58 -5.267 10.896 -4.117 1.00 14.30 N ATOM 864 CA GLU A 58 -3.969 11.034 -3.469 1.00 75.30 C ATOM 865 C GLU A 58 -4.077 11.894 -2.212 1.00 52.24 C ATOM 866 O GLU A 58 -3.503 11.568 -1.173 1.00 72.43 O ATOM 867 CB GLU A 58 -2.954 11.649 -4.435 1.00 74.34 C ATOM 868 CG GLU A 58 -1.509 11.363 -4.062 1.00 12.34 C ATOM 869 CD GLU A 58 -0.557 12.435 -4.557 1.00 30.43 C ATOM 870 OE1 GLU A 58 -0.740 12.913 -5.695 1.00 52.21 O ATOM 871 OE2 GLU A 58 0.373 12.795 -3.804 1.00 15.22 O ATOM 0 H GLU A 58 -5.328 11.334 -5.036 1.00 14.30 H new ATOM 0 HA GLU A 58 -3.628 10.040 -3.180 1.00 75.30 H new ATOM 0 HB2 GLU A 58 -3.144 11.269 -5.439 1.00 74.34 H new ATOM 0 HB3 GLU A 58 -3.105 12.728 -4.469 1.00 74.34 H new ATOM 0 HG2 GLU A 58 -1.427 11.281 -2.978 1.00 12.34 H new ATOM 0 HG3 GLU A 58 -1.214 10.400 -4.478 1.00 12.34 H new ATOM 878 N ASP A 59 -4.816 12.993 -2.317 1.00 21.23 N ATOM 879 CA ASP A 59 -5.001 13.900 -1.190 1.00 62.10 C ATOM 880 C ASP A 59 -5.541 13.153 0.026 1.00 21.23 C ATOM 881 O ASP A 59 -5.320 13.560 1.167 1.00 63.23 O ATOM 882 CB ASP A 59 -5.953 15.034 -1.572 1.00 22.05 C ATOM 883 CG ASP A 59 -5.296 16.062 -2.473 1.00 30.44 C ATOM 884 OD1 ASP A 59 -4.224 15.759 -3.036 1.00 24.52 O ATOM 885 OD2 ASP A 59 -5.854 17.171 -2.613 1.00 44.50 O ATOM 0 H ASP A 59 -5.297 13.277 -3.171 1.00 21.23 H new ATOM 0 HA ASP A 59 -4.030 14.323 -0.932 1.00 62.10 H new ATOM 0 HB2 ASP A 59 -6.825 14.618 -2.076 1.00 22.05 H new ATOM 0 HB3 ASP A 59 -6.311 15.524 -0.667 1.00 22.05 H new ATOM 890 N LYS A 60 -6.251 12.060 -0.226 1.00 61.44 N ATOM 891 CA LYS A 60 -6.824 11.255 0.847 1.00 41.31 C ATOM 892 C LYS A 60 -5.804 10.255 1.382 1.00 71.13 C ATOM 893 O LYS A 60 -5.882 9.831 2.534 1.00 30.54 O ATOM 894 CB LYS A 60 -8.067 10.514 0.349 1.00 50.55 C ATOM 895 CG LYS A 60 -9.344 11.328 0.454 1.00 55.40 C ATOM 896 CD LYS A 60 -9.604 12.124 -0.815 1.00 33.44 C ATOM 897 CE LYS A 60 -10.611 13.239 -0.576 1.00 3.31 C ATOM 898 NZ LYS A 60 -10.892 14.008 -1.820 1.00 54.14 N ATOM 0 H LYS A 60 -6.444 11.710 -1.164 1.00 61.44 H new ATOM 0 HA LYS A 60 -7.109 11.926 1.658 1.00 41.31 H new ATOM 0 HB2 LYS A 60 -7.915 10.225 -0.691 1.00 50.55 H new ATOM 0 HB3 LYS A 60 -8.185 9.594 0.921 1.00 50.55 H new ATOM 0 HG2 LYS A 60 -10.186 10.663 0.646 1.00 55.40 H new ATOM 0 HG3 LYS A 60 -9.274 12.008 1.303 1.00 55.40 H new ATOM 0 HD2 LYS A 60 -8.668 12.549 -1.178 1.00 33.44 H new ATOM 0 HD3 LYS A 60 -9.975 11.458 -1.594 1.00 33.44 H new ATOM 0 HE2 LYS A 60 -11.539 12.814 -0.194 1.00 3.31 H new ATOM 0 HE3 LYS A 60 -10.230 13.914 0.190 1.00 3.31 H new ATOM 0 HZ1 LYS A 60 -11.582 14.758 -1.616 1.00 54.14 H new ATOM 0 HZ2 LYS A 60 -10.011 14.434 -2.171 1.00 54.14 H new ATOM 0 HZ3 LYS A 60 -11.279 13.369 -2.543 1.00 54.14 H new ATOM 912 N ALA A 61 -4.847 9.884 0.537 1.00 12.14 N ATOM 913 CA ALA A 61 -3.809 8.938 0.926 1.00 75.41 C ATOM 914 C ALA A 61 -2.553 9.663 1.396 1.00 23.53 C ATOM 915 O ALA A 61 -1.438 9.172 1.215 1.00 51.54 O ATOM 916 CB ALA A 61 -3.482 8.007 -0.231 1.00 52.31 C ATOM 0 H ALA A 61 -4.770 10.225 -0.421 1.00 12.14 H new ATOM 0 HA ALA A 61 -4.187 8.345 1.759 1.00 75.41 H new ATOM 0 HB1 ALA A 61 -2.705 7.306 0.074 1.00 52.31 H new ATOM 0 HB2 ALA A 61 -4.377 7.455 -0.518 1.00 52.31 H new ATOM 0 HB3 ALA A 61 -3.129 8.592 -1.080 1.00 52.31 H new ATOM 922 N GLN A 62 -2.740 10.833 1.999 1.00 45.21 N ATOM 923 CA GLN A 62 -1.620 11.626 2.492 1.00 62.12 C ATOM 924 C GLN A 62 -1.053 11.027 3.774 1.00 34.33 C ATOM 925 O GLN A 62 0.153 10.808 3.889 1.00 30.25 O ATOM 926 CB GLN A 62 -2.060 13.070 2.739 1.00 30.52 C ATOM 927 CG GLN A 62 -2.427 13.820 1.470 1.00 21.31 C ATOM 928 CD GLN A 62 -1.211 14.230 0.662 1.00 31.20 C ATOM 929 OE1 GLN A 62 -0.457 15.117 1.062 1.00 11.40 O ATOM 930 NE2 GLN A 62 -1.014 13.584 -0.481 1.00 73.02 N ATOM 0 H GLN A 62 -3.656 11.252 2.158 1.00 45.21 H new ATOM 0 HA GLN A 62 -0.838 11.618 1.732 1.00 62.12 H new ATOM 0 HB2 GLN A 62 -2.918 13.070 3.412 1.00 30.52 H new ATOM 0 HB3 GLN A 62 -1.257 13.604 3.247 1.00 30.52 H new ATOM 0 HG2 GLN A 62 -3.072 13.192 0.855 1.00 21.31 H new ATOM 0 HG3 GLN A 62 -3.002 14.709 1.731 1.00 21.31 H new ATOM 0 HE21 GLN A 62 -1.665 12.855 -0.774 1.00 73.02 H new ATOM 0 HE22 GLN A 62 -0.212 13.816 -1.066 1.00 73.02 H new ATOM 939 N ASP A 63 -1.930 10.764 4.737 1.00 0.23 N ATOM 940 CA ASP A 63 -1.516 10.190 6.013 1.00 54.44 C ATOM 941 C ASP A 63 -0.760 8.883 5.800 1.00 22.22 C ATOM 942 O ASP A 63 0.059 8.486 6.629 1.00 33.31 O ATOM 943 CB ASP A 63 -2.734 9.950 6.907 1.00 63.23 C ATOM 944 CG ASP A 63 -3.435 11.239 7.288 1.00 32.32 C ATOM 945 OD1 ASP A 63 -2.739 12.205 7.664 1.00 4.10 O ATOM 946 OD2 ASP A 63 -4.681 11.281 7.211 1.00 60.03 O ATOM 0 H ASP A 63 -2.932 10.939 4.659 1.00 0.23 H new ATOM 0 HA ASP A 63 -0.849 10.899 6.504 1.00 54.44 H new ATOM 0 HB2 ASP A 63 -3.437 9.296 6.391 1.00 63.23 H new ATOM 0 HB3 ASP A 63 -2.420 9.429 7.812 1.00 63.23 H new ATOM 951 N ILE A 64 -1.040 8.218 4.685 1.00 74.04 N ATOM 952 CA ILE A 64 -0.387 6.955 4.363 1.00 32.31 C ATOM 953 C ILE A 64 1.130 7.082 4.458 1.00 41.53 C ATOM 954 O ILE A 64 1.752 7.809 3.683 1.00 53.24 O ATOM 955 CB ILE A 64 -0.763 6.469 2.951 1.00 21.03 C ATOM 956 CG1 ILE A 64 -2.284 6.376 2.809 1.00 64.55 C ATOM 957 CG2 ILE A 64 -0.115 5.122 2.665 1.00 12.32 C ATOM 958 CD1 ILE A 64 -2.930 5.459 3.824 1.00 32.12 C ATOM 0 H ILE A 64 -1.715 8.533 3.988 1.00 74.04 H new ATOM 0 HA ILE A 64 -0.735 6.225 5.093 1.00 32.31 H new ATOM 0 HB ILE A 64 -0.392 7.190 2.223 1.00 21.03 H new ATOM 0 HG12 ILE A 64 -2.712 7.374 2.908 1.00 64.55 H new ATOM 0 HG13 ILE A 64 -2.526 6.023 1.806 1.00 64.55 H new ATOM 0 HG21 ILE A 64 -0.390 4.791 1.663 1.00 12.32 H new ATOM 0 HG22 ILE A 64 0.969 5.218 2.731 1.00 12.32 H new ATOM 0 HG23 ILE A 64 -0.459 4.390 3.396 1.00 12.32 H new ATOM 0 HD11 ILE A 64 -4.008 5.441 3.664 1.00 32.12 H new ATOM 0 HD12 ILE A 64 -2.530 4.451 3.711 1.00 32.12 H new ATOM 0 HD13 ILE A 64 -2.718 5.823 4.830 1.00 32.12 H new ATOM 970 N SER A 65 1.720 6.368 5.412 1.00 44.42 N ATOM 971 CA SER A 65 3.164 6.402 5.609 1.00 22.11 C ATOM 972 C SER A 65 3.749 4.993 5.590 1.00 11.23 C ATOM 973 O SER A 65 4.815 4.757 5.020 1.00 31.14 O ATOM 974 CB SER A 65 3.503 7.090 6.933 1.00 25.33 C ATOM 975 OG SER A 65 3.517 8.499 6.787 1.00 53.23 O ATOM 0 H SER A 65 1.220 5.759 6.060 1.00 44.42 H new ATOM 0 HA SER A 65 3.604 6.970 4.789 1.00 22.11 H new ATOM 0 HB2 SER A 65 2.772 6.807 7.691 1.00 25.33 H new ATOM 0 HB3 SER A 65 4.476 6.748 7.285 1.00 25.33 H new ATOM 0 HG SER A 65 3.734 8.915 7.647 1.00 53.23 H new ATOM 981 N THR A 66 3.042 4.057 6.216 1.00 34.15 N ATOM 982 CA THR A 66 3.490 2.672 6.274 1.00 73.23 C ATOM 983 C THR A 66 2.564 1.762 5.475 1.00 4.32 C ATOM 984 O THR A 66 1.491 2.181 5.039 1.00 73.12 O ATOM 985 CB THR A 66 3.561 2.164 7.727 1.00 40.32 C ATOM 986 OG1 THR A 66 2.239 1.953 8.237 1.00 42.22 O ATOM 987 CG2 THR A 66 4.299 3.157 8.611 1.00 32.30 C ATOM 0 H THR A 66 2.156 4.234 6.690 1.00 34.15 H new ATOM 0 HA THR A 66 4.489 2.644 5.838 1.00 73.23 H new ATOM 0 HB THR A 66 4.107 1.221 7.733 1.00 40.32 H new ATOM 0 HG1 THR A 66 2.292 1.629 9.160 1.00 42.22 H new ATOM 0 HG21 THR A 66 4.337 2.777 9.632 1.00 32.30 H new ATOM 0 HG22 THR A 66 5.314 3.293 8.237 1.00 32.30 H new ATOM 0 HG23 THR A 66 3.776 4.113 8.599 1.00 32.30 H new ATOM 995 N ILE A 67 2.985 0.516 5.285 1.00 34.43 N ATOM 996 CA ILE A 67 2.193 -0.454 4.539 1.00 34.15 C ATOM 997 C ILE A 67 0.797 -0.597 5.136 1.00 71.24 C ATOM 998 O ILE A 67 -0.200 -0.599 4.414 1.00 13.33 O ATOM 999 CB ILE A 67 2.872 -1.835 4.512 1.00 62.12 C ATOM 1000 CG1 ILE A 67 4.282 -1.722 3.928 1.00 70.22 C ATOM 1001 CG2 ILE A 67 2.037 -2.820 3.708 1.00 41.22 C ATOM 1002 CD1 ILE A 67 4.304 -1.285 2.481 1.00 63.43 C ATOM 0 H ILE A 67 3.871 0.154 5.638 1.00 34.43 H new ATOM 0 HA ILE A 67 2.113 -0.079 3.519 1.00 34.15 H new ATOM 0 HB ILE A 67 2.951 -2.205 5.534 1.00 62.12 H new ATOM 0 HG12 ILE A 67 4.857 -1.012 4.522 1.00 70.22 H new ATOM 0 HG13 ILE A 67 4.781 -2.687 4.015 1.00 70.22 H new ATOM 0 HG21 ILE A 67 2.530 -3.792 3.698 1.00 41.22 H new ATOM 0 HG22 ILE A 67 1.051 -2.918 4.163 1.00 41.22 H new ATOM 0 HG23 ILE A 67 1.930 -2.457 2.686 1.00 41.22 H new ATOM 0 HD11 ILE A 67 5.336 -1.227 2.134 1.00 63.43 H new ATOM 0 HD12 ILE A 67 3.758 -2.007 1.874 1.00 63.43 H new ATOM 0 HD13 ILE A 67 3.835 -0.306 2.390 1.00 63.43 H new ATOM 1014 N GLN A 68 0.734 -0.717 6.459 1.00 65.43 N ATOM 1015 CA GLN A 68 -0.540 -0.861 7.152 1.00 35.12 C ATOM 1016 C GLN A 68 -1.463 0.314 6.845 1.00 43.31 C ATOM 1017 O GLN A 68 -2.641 0.127 6.542 1.00 32.41 O ATOM 1018 CB GLN A 68 -0.314 -0.965 8.662 1.00 62.04 C ATOM 1019 CG GLN A 68 -0.216 -2.396 9.164 1.00 64.35 C ATOM 1020 CD GLN A 68 -1.559 -2.963 9.581 1.00 72.13 C ATOM 1021 OE1 GLN A 68 -2.402 -3.270 8.602 1.00 74.00 O flip ATOM 1022 NE2 GLN A 68 -1.836 -3.123 10.769 1.00 44.20 N flip ATOM 0 H GLN A 68 1.550 -0.717 7.071 1.00 65.43 H new ATOM 0 HA GLN A 68 -1.016 -1.776 6.798 1.00 35.12 H new ATOM 0 HB2 GLN A 68 0.602 -0.434 8.922 1.00 62.04 H new ATOM 0 HB3 GLN A 68 -1.131 -0.462 9.179 1.00 62.04 H new ATOM 0 HG2 GLN A 68 0.211 -3.023 8.381 1.00 64.35 H new ATOM 0 HG3 GLN A 68 0.469 -2.433 10.011 1.00 64.35 H new ATOM 0 HE21 GLN A 68 -1.158 -2.873 11.489 1.00 44.20 H new ATOM 0 HE22 GLN A 68 -2.744 -3.505 11.034 1.00 44.20 H new ATOM 1031 N GLN A 69 -0.919 1.524 6.925 1.00 73.11 N ATOM 1032 CA GLN A 69 -1.694 2.728 6.656 1.00 14.45 C ATOM 1033 C GLN A 69 -2.386 2.640 5.299 1.00 33.01 C ATOM 1034 O GLN A 69 -3.564 2.971 5.170 1.00 44.12 O ATOM 1035 CB GLN A 69 -0.791 3.963 6.701 1.00 73.03 C ATOM 1036 CG GLN A 69 -0.097 4.160 8.040 1.00 2.30 C ATOM 1037 CD GLN A 69 -1.039 4.656 9.118 1.00 0.32 C ATOM 1038 OE1 GLN A 69 -2.223 4.884 8.868 1.00 22.51 O ATOM 1039 NE2 GLN A 69 -0.516 4.829 10.327 1.00 70.03 N ATOM 0 H GLN A 69 0.055 1.696 7.174 1.00 73.11 H new ATOM 0 HA GLN A 69 -2.458 2.816 7.428 1.00 14.45 H new ATOM 0 HB2 GLN A 69 -0.037 3.880 5.919 1.00 73.03 H new ATOM 0 HB3 GLN A 69 -1.387 4.847 6.476 1.00 73.03 H new ATOM 0 HG2 GLN A 69 0.347 3.216 8.357 1.00 2.30 H new ATOM 0 HG3 GLN A 69 0.719 4.872 7.920 1.00 2.30 H new ATOM 0 HE21 GLN A 69 0.471 4.628 10.489 1.00 70.03 H new ATOM 0 HE22 GLN A 69 -1.101 5.163 11.093 1.00 70.03 H new ATOM 1048 N ALA A 70 -1.645 2.191 4.292 1.00 72.24 N ATOM 1049 CA ALA A 70 -2.187 2.057 2.946 1.00 53.21 C ATOM 1050 C ALA A 70 -3.144 0.872 2.854 1.00 13.43 C ATOM 1051 O ALA A 70 -4.059 0.863 2.032 1.00 11.45 O ATOM 1052 CB ALA A 70 -1.061 1.907 1.935 1.00 45.34 C ATOM 0 H ALA A 70 -0.668 1.914 4.383 1.00 72.24 H new ATOM 0 HA ALA A 70 -2.748 2.963 2.716 1.00 53.21 H new ATOM 0 HB1 ALA A 70 -1.481 1.808 0.934 1.00 45.34 H new ATOM 0 HB2 ALA A 70 -0.418 2.786 1.973 1.00 45.34 H new ATOM 0 HB3 ALA A 70 -0.475 1.019 2.172 1.00 45.34 H new ATOM 1058 N ALA A 71 -2.925 -0.126 3.704 1.00 10.14 N ATOM 1059 CA ALA A 71 -3.769 -1.315 3.720 1.00 1.34 C ATOM 1060 C ALA A 71 -5.126 -1.015 4.346 1.00 71.25 C ATOM 1061 O ALA A 71 -6.152 -1.535 3.905 1.00 4.44 O ATOM 1062 CB ALA A 71 -3.076 -2.443 4.470 1.00 42.34 C ATOM 0 H ALA A 71 -2.171 -0.135 4.390 1.00 10.14 H new ATOM 0 HA ALA A 71 -3.935 -1.628 2.689 1.00 1.34 H new ATOM 0 HB1 ALA A 71 -3.717 -3.325 4.474 1.00 42.34 H new ATOM 0 HB2 ALA A 71 -2.133 -2.682 3.978 1.00 42.34 H new ATOM 0 HB3 ALA A 71 -2.880 -2.131 5.496 1.00 42.34 H new ATOM 1068 N ASP A 72 -5.125 -0.177 5.377 1.00 51.13 N ATOM 1069 CA ASP A 72 -6.358 0.190 6.064 1.00 0.04 C ATOM 1070 C ASP A 72 -7.315 0.907 5.117 1.00 4.44 C ATOM 1071 O ASP A 72 -8.517 0.641 5.112 1.00 21.43 O ATOM 1072 CB ASP A 72 -6.050 1.081 7.269 1.00 4.00 C ATOM 1073 CG ASP A 72 -7.293 1.440 8.057 1.00 2.42 C ATOM 1074 OD1 ASP A 72 -8.002 2.383 7.649 1.00 51.11 O ATOM 1075 OD2 ASP A 72 -7.557 0.779 9.083 1.00 53.23 O ATOM 0 H ASP A 72 -4.285 0.261 5.755 1.00 51.13 H new ATOM 0 HA ASP A 72 -6.837 -0.725 6.412 1.00 0.04 H new ATOM 0 HB2 ASP A 72 -5.344 0.570 7.923 1.00 4.00 H new ATOM 0 HB3 ASP A 72 -5.564 1.995 6.927 1.00 4.00 H new ATOM 1080 N VAL A 73 -6.773 1.821 4.316 1.00 73.52 N ATOM 1081 CA VAL A 73 -7.579 2.577 3.365 1.00 21.32 C ATOM 1082 C VAL A 73 -8.219 1.656 2.333 1.00 43.15 C ATOM 1083 O VAL A 73 -9.352 1.880 1.903 1.00 33.30 O ATOM 1084 CB VAL A 73 -6.735 3.639 2.635 1.00 52.41 C ATOM 1085 CG1 VAL A 73 -7.591 4.412 1.642 1.00 75.43 C ATOM 1086 CG2 VAL A 73 -6.084 4.580 3.636 1.00 1.24 C ATOM 0 H VAL A 73 -5.780 2.055 4.307 1.00 73.52 H new ATOM 0 HA VAL A 73 -8.361 3.075 3.938 1.00 21.32 H new ATOM 0 HB VAL A 73 -5.946 3.133 2.080 1.00 52.41 H new ATOM 0 HG11 VAL A 73 -6.978 5.158 1.136 1.00 75.43 H new ATOM 0 HG12 VAL A 73 -8.006 3.723 0.906 1.00 75.43 H new ATOM 0 HG13 VAL A 73 -8.403 4.909 2.172 1.00 75.43 H new ATOM 0 HG21 VAL A 73 -5.491 5.324 3.104 1.00 1.24 H new ATOM 0 HG22 VAL A 73 -6.856 5.081 4.220 1.00 1.24 H new ATOM 0 HG23 VAL A 73 -5.437 4.010 4.303 1.00 1.24 H new ATOM 1096 N ILE A 74 -7.488 0.619 1.939 1.00 43.24 N ATOM 1097 CA ILE A 74 -7.985 -0.338 0.958 1.00 40.13 C ATOM 1098 C ILE A 74 -9.160 -1.136 1.514 1.00 4.30 C ATOM 1099 O ILE A 74 -10.257 -1.112 0.958 1.00 32.21 O ATOM 1100 CB ILE A 74 -6.881 -1.315 0.513 1.00 5.33 C ATOM 1101 CG1 ILE A 74 -5.712 -0.548 -0.109 1.00 30.15 C ATOM 1102 CG2 ILE A 74 -7.438 -2.331 -0.472 1.00 63.15 C ATOM 1103 CD1 ILE A 74 -4.390 -1.276 -0.008 1.00 4.15 C ATOM 0 H ILE A 74 -6.549 0.420 2.284 1.00 43.24 H new ATOM 0 HA ILE A 74 -8.316 0.240 0.095 1.00 40.13 H new ATOM 0 HB ILE A 74 -6.515 -1.850 1.389 1.00 5.33 H new ATOM 0 HG12 ILE A 74 -5.932 -0.355 -1.159 1.00 30.15 H new ATOM 0 HG13 ILE A 74 -5.622 0.421 0.381 1.00 30.15 H new ATOM 0 HG21 ILE A 74 -6.645 -3.014 -0.777 1.00 63.15 H new ATOM 0 HG22 ILE A 74 -8.241 -2.895 0.002 1.00 63.15 H new ATOM 0 HG23 ILE A 74 -7.827 -1.813 -1.348 1.00 63.15 H new ATOM 0 HD11 ILE A 74 -3.607 -0.674 -0.469 1.00 4.15 H new ATOM 0 HD12 ILE A 74 -4.147 -1.445 1.041 1.00 4.15 H new ATOM 0 HD13 ILE A 74 -4.462 -2.234 -0.523 1.00 4.15 H new ATOM 1115 N GLU A 75 -8.921 -1.839 2.616 1.00 21.20 N ATOM 1116 CA GLU A 75 -9.960 -2.643 3.248 1.00 31.01 C ATOM 1117 C GLU A 75 -11.212 -1.810 3.505 1.00 32.33 C ATOM 1118 O GLU A 75 -12.328 -2.328 3.502 1.00 33.54 O ATOM 1119 CB GLU A 75 -9.448 -3.235 4.564 1.00 53.12 C ATOM 1120 CG GLU A 75 -8.969 -2.189 5.556 1.00 14.01 C ATOM 1121 CD GLU A 75 -8.793 -2.749 6.954 1.00 3.23 C ATOM 1122 OE1 GLU A 75 -9.393 -3.800 7.253 1.00 73.14 O ATOM 1123 OE2 GLU A 75 -8.050 -2.133 7.749 1.00 74.33 O ATOM 0 H GLU A 75 -8.018 -1.868 3.089 1.00 21.20 H new ATOM 0 HA GLU A 75 -10.219 -3.455 2.569 1.00 31.01 H new ATOM 0 HB2 GLU A 75 -10.244 -3.821 5.023 1.00 53.12 H new ATOM 0 HB3 GLU A 75 -8.629 -3.922 4.349 1.00 53.12 H new ATOM 0 HG2 GLU A 75 -8.021 -1.775 5.212 1.00 14.01 H new ATOM 0 HG3 GLU A 75 -9.684 -1.367 5.585 1.00 14.01 H new ATOM 1130 N GLY A 76 -11.017 -0.513 3.728 1.00 14.00 N ATOM 1131 CA GLY A 76 -12.139 0.372 3.986 1.00 44.04 C ATOM 1132 C GLY A 76 -12.971 0.627 2.745 1.00 53.30 C ATOM 1133 O GLY A 76 -14.178 0.858 2.835 1.00 54.55 O ATOM 0 H GLY A 76 -10.103 -0.060 3.735 1.00 14.00 H new ATOM 0 HA2 GLY A 76 -12.771 -0.063 4.761 1.00 44.04 H new ATOM 0 HA3 GLY A 76 -11.768 1.321 4.373 1.00 44.04 H new ATOM 1137 N LEU A 77 -12.328 0.587 1.584 1.00 2.44 N ATOM 1138 CA LEU A 77 -13.017 0.818 0.318 1.00 74.31 C ATOM 1139 C LEU A 77 -13.760 -0.434 -0.133 1.00 71.34 C ATOM 1140 O LEU A 77 -14.755 -0.354 -0.855 1.00 15.13 O ATOM 1141 CB LEU A 77 -12.019 1.249 -0.758 1.00 64.40 C ATOM 1142 CG LEU A 77 -11.366 2.616 -0.559 1.00 10.31 C ATOM 1143 CD1 LEU A 77 -10.007 2.664 -1.240 1.00 64.55 C ATOM 1144 CD2 LEU A 77 -12.269 3.720 -1.089 1.00 5.34 C ATOM 0 H LEU A 77 -11.330 0.397 1.492 1.00 2.44 H new ATOM 0 HA LEU A 77 -13.745 1.615 0.469 1.00 74.31 H new ATOM 0 HB2 LEU A 77 -11.231 0.498 -0.816 1.00 64.40 H new ATOM 0 HB3 LEU A 77 -12.531 1.250 -1.720 1.00 64.40 H new ATOM 0 HG LEU A 77 -11.219 2.775 0.509 1.00 10.31 H new ATOM 0 HD11 LEU A 77 -9.558 3.645 -1.087 1.00 64.55 H new ATOM 0 HD12 LEU A 77 -9.359 1.898 -0.814 1.00 64.55 H new ATOM 0 HD13 LEU A 77 -10.129 2.483 -2.308 1.00 64.55 H new ATOM 0 HD21 LEU A 77 -11.788 4.687 -0.939 1.00 5.34 H new ATOM 0 HD22 LEU A 77 -12.448 3.565 -2.153 1.00 5.34 H new ATOM 0 HD23 LEU A 77 -13.219 3.701 -0.555 1.00 5.34 H new ATOM 1156 N LEU A 78 -13.273 -1.593 0.298 1.00 2.42 N ATOM 1157 CA LEU A 78 -13.892 -2.865 -0.060 1.00 13.45 C ATOM 1158 C LEU A 78 -15.133 -3.123 0.787 1.00 73.11 C ATOM 1159 O LEU A 78 -16.176 -3.523 0.271 1.00 32.41 O ATOM 1160 CB LEU A 78 -12.893 -4.009 0.116 1.00 21.22 C ATOM 1161 CG LEU A 78 -11.901 -4.217 -1.029 1.00 74.13 C ATOM 1162 CD1 LEU A 78 -10.654 -3.375 -0.814 1.00 44.21 C ATOM 1163 CD2 LEU A 78 -11.538 -5.689 -1.159 1.00 65.02 C ATOM 0 H LEU A 78 -12.451 -1.678 0.896 1.00 2.42 H new ATOM 0 HA LEU A 78 -14.193 -2.813 -1.106 1.00 13.45 H new ATOM 0 HB2 LEU A 78 -12.328 -3.834 1.032 1.00 21.22 H new ATOM 0 HB3 LEU A 78 -13.452 -4.934 0.258 1.00 21.22 H new ATOM 0 HG LEU A 78 -12.374 -3.897 -1.957 1.00 74.13 H new ATOM 0 HD11 LEU A 78 -9.960 -3.536 -1.639 1.00 44.21 H new ATOM 0 HD12 LEU A 78 -10.929 -2.321 -0.772 1.00 44.21 H new ATOM 0 HD13 LEU A 78 -10.178 -3.663 0.123 1.00 44.21 H new ATOM 0 HD21 LEU A 78 -10.831 -5.818 -1.979 1.00 65.02 H new ATOM 0 HD22 LEU A 78 -11.084 -6.035 -0.230 1.00 65.02 H new ATOM 0 HD23 LEU A 78 -12.438 -6.269 -1.361 1.00 65.02 H new ATOM 1175 N GLU A 79 -15.013 -2.889 2.091 1.00 41.55 N ATOM 1176 CA GLU A 79 -16.127 -3.096 3.009 1.00 1.30 C ATOM 1177 C GLU A 79 -17.366 -2.340 2.540 1.00 12.30 C ATOM 1178 O GLU A 79 -18.496 -2.753 2.802 1.00 41.42 O ATOM 1179 CB GLU A 79 -15.744 -2.644 4.420 1.00 31.31 C ATOM 1180 CG GLU A 79 -14.966 -3.688 5.203 1.00 63.30 C ATOM 1181 CD GLU A 79 -15.866 -4.722 5.852 1.00 21.44 C ATOM 1182 OE1 GLU A 79 -17.056 -4.792 5.478 1.00 20.21 O ATOM 1183 OE2 GLU A 79 -15.380 -5.460 6.734 1.00 63.21 O ATOM 0 H GLU A 79 -14.157 -2.556 2.534 1.00 41.55 H new ATOM 0 HA GLU A 79 -16.358 -4.161 3.026 1.00 1.30 H new ATOM 0 HB2 GLU A 79 -15.148 -1.734 4.352 1.00 31.31 H new ATOM 0 HB3 GLU A 79 -16.650 -2.390 4.970 1.00 31.31 H new ATOM 0 HG2 GLU A 79 -14.265 -4.190 4.536 1.00 63.30 H new ATOM 0 HG3 GLU A 79 -14.374 -3.193 5.973 1.00 63.30 H new ATOM 1190 N LYS A 80 -17.147 -1.228 1.845 1.00 21.54 N ATOM 1191 CA LYS A 80 -18.244 -0.413 1.338 1.00 23.32 C ATOM 1192 C LYS A 80 -18.951 -1.111 0.181 1.00 73.11 C ATOM 1193 O LYS A 80 -20.125 -1.469 0.283 1.00 60.23 O ATOM 1194 CB LYS A 80 -17.723 0.952 0.882 1.00 54.22 C ATOM 1195 CG LYS A 80 -18.764 2.055 0.953 1.00 13.42 C ATOM 1196 CD LYS A 80 -18.798 2.701 2.328 1.00 10.35 C ATOM 1197 CE LYS A 80 -17.672 3.710 2.497 1.00 31.21 C ATOM 1198 NZ LYS A 80 -17.995 5.016 1.859 1.00 53.03 N ATOM 0 H LYS A 80 -16.218 -0.871 1.620 1.00 21.54 H new ATOM 0 HA LYS A 80 -18.962 -0.271 2.146 1.00 23.32 H new ATOM 0 HB2 LYS A 80 -16.869 1.230 1.499 1.00 54.22 H new ATOM 0 HB3 LYS A 80 -17.362 0.870 -0.143 1.00 54.22 H new ATOM 0 HG2 LYS A 80 -18.546 2.812 0.200 1.00 13.42 H new ATOM 0 HG3 LYS A 80 -19.746 1.645 0.718 1.00 13.42 H new ATOM 0 HD2 LYS A 80 -19.758 3.197 2.475 1.00 10.35 H new ATOM 0 HD3 LYS A 80 -18.716 1.931 3.095 1.00 10.35 H new ATOM 0 HE2 LYS A 80 -17.478 3.863 3.559 1.00 31.21 H new ATOM 0 HE3 LYS A 80 -16.757 3.309 2.060 1.00 31.21 H new ATOM 0 HZ1 LYS A 80 -17.202 5.675 1.997 1.00 53.03 H new ATOM 0 HZ2 LYS A 80 -18.155 4.875 0.841 1.00 53.03 H new ATOM 0 HZ3 LYS A 80 -18.854 5.411 2.293 1.00 53.03 H new ATOM 1212 N LYS A 81 -18.230 -1.304 -0.918 1.00 32.54 N ATOM 1213 CA LYS A 81 -18.787 -1.962 -2.093 1.00 61.50 C ATOM 1214 C LYS A 81 -19.380 -3.320 -1.727 1.00 51.52 C ATOM 1215 O LYS A 81 -20.438 -3.701 -2.228 1.00 31.33 O ATOM 1216 CB LYS A 81 -17.708 -2.138 -3.164 1.00 41.41 C ATOM 1217 CG LYS A 81 -16.448 -2.814 -2.652 1.00 44.44 C ATOM 1218 CD LYS A 81 -15.384 -2.901 -3.734 1.00 10.31 C ATOM 1219 CE LYS A 81 -15.749 -3.928 -4.795 1.00 13.22 C ATOM 1220 NZ LYS A 81 -14.975 -3.728 -6.051 1.00 31.04 N ATOM 0 H LYS A 81 -17.257 -1.014 -1.019 1.00 32.54 H new ATOM 0 HA LYS A 81 -19.584 -1.331 -2.488 1.00 61.50 H new ATOM 0 HB2 LYS A 81 -18.117 -2.725 -3.987 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -17.447 -1.160 -3.569 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -16.057 -2.259 -1.799 1.00 44.44 H new ATOM 0 HG3 LYS A 81 -16.690 -3.816 -2.297 1.00 44.44 H new ATOM 0 HD2 LYS A 81 -15.257 -1.924 -4.200 1.00 10.31 H new ATOM 0 HD3 LYS A 81 -14.427 -3.166 -3.284 1.00 10.31 H new ATOM 0 HE2 LYS A 81 -15.562 -4.930 -4.409 1.00 13.22 H new ATOM 0 HE3 LYS A 81 -16.815 -3.863 -5.011 1.00 13.22 H new ATOM 0 HZ1 LYS A 81 -15.253 -4.448 -6.748 1.00 31.04 H new ATOM 0 HZ2 LYS A 81 -15.172 -2.781 -6.433 1.00 31.04 H new ATOM 0 HZ3 LYS A 81 -13.958 -3.815 -5.850 1.00 31.04 H new ATOM 1234 N ALA A 82 -18.692 -4.044 -0.850 1.00 74.03 N ATOM 1235 CA ALA A 82 -19.153 -5.356 -0.415 1.00 32.13 C ATOM 1236 C ALA A 82 -20.083 -5.240 0.788 1.00 54.23 C ATOM 1237 O ALA A 82 -19.940 -5.971 1.769 1.00 44.10 O ATOM 1238 CB ALA A 82 -17.967 -6.249 -0.083 1.00 31.35 C ATOM 0 H ALA A 82 -17.814 -3.744 -0.427 1.00 74.03 H new ATOM 0 HA ALA A 82 -19.715 -5.806 -1.234 1.00 32.13 H new ATOM 0 HB1 ALA A 82 -18.326 -7.226 0.241 1.00 31.35 H new ATOM 0 HB2 ALA A 82 -17.342 -6.367 -0.968 1.00 31.35 H new ATOM 0 HB3 ALA A 82 -17.382 -5.795 0.717 1.00 31.35 H new TER 1244 ALA A 82