USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O3 : rot 180:sc= -0.0248 USER MOD Set 1.2: A 122 A2G O6 : rot -24:sc= 0.0914 USER MOD Set 2.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 3.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 34 GLN : amide:sc= -9.61! C(o=-9!,f=-9.3!) USER MOD Set 4.2: A 68 THR OG1 : rot -160:sc= 0.632 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -0.254 (180deg=-0.708) USER MOD Single : A 7 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.024) USER MOD Single : A 9 SER OG : rot 180:sc= -1.76! USER MOD Single : A 14 ASN : amide:sc= -0.925 K(o=-0.93,f=-2.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -3.24 K(o=-3.2,f=-6.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 36 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -2.03 (180deg=-3.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0293 (180deg=-0.32) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 50 GLN : amide:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 64 THR OG1 : rot -39:sc= 1.15 USER MOD Single : A 67 HIS : no HE2:sc= -3.04 X(o=-3,f=-3.5!) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0378) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 101:sc= -4.8! USER MOD Single : A 92 SER OG : rot -1:sc= 0.875 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -149:sc= -1.21 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 111 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.0025) USER MOD Single : A 112 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0.0057) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 A2G O6 : rot -9:sc= 0.399 USER MOD Single : A 121 A2G O6 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 150:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.691 -0.586 -1.072 1.00 74.53 N ATOM 2 CA ASP A 1 3.052 -0.250 -0.671 1.00 52.33 C ATOM 3 C ASP A 1 3.478 1.089 -1.267 1.00 12.21 C ATOM 4 O ASP A 1 3.731 1.194 -2.467 1.00 13.41 O ATOM 5 CB ASP A 1 4.021 -1.348 -1.108 1.00 64.40 C ATOM 6 CG ASP A 1 5.421 -1.134 -0.565 1.00 60.55 C ATOM 7 OD1 ASP A 1 5.661 -1.483 0.610 1.00 41.33 O ATOM 8 OD2 ASP A 1 6.276 -0.620 -1.316 1.00 72.44 O ATOM 0 H1 ASP A 1 1.422 -1.500 -0.655 1.00 74.53 H new ATOM 0 H2 ASP A 1 1.039 0.152 -0.738 1.00 74.53 H new ATOM 0 H3 ASP A 1 1.640 -0.650 -2.109 1.00 74.53 H new ATOM 0 HA ASP A 1 3.075 -0.168 0.416 1.00 52.33 H new ATOM 0 HB2 ASP A 1 3.647 -2.314 -0.770 1.00 64.40 H new ATOM 0 HB3 ASP A 1 4.058 -1.384 -2.197 1.00 64.40 H new ATOM 13 N VAL A 2 3.554 2.110 -0.420 1.00 12.03 N ATOM 14 CA VAL A 2 3.950 3.442 -0.861 1.00 51.34 C ATOM 15 C VAL A 2 5.135 3.960 -0.055 1.00 44.34 C ATOM 16 O VAL A 2 5.393 3.496 1.056 1.00 53.12 O ATOM 17 CB VAL A 2 2.785 4.443 -0.741 1.00 33.14 C ATOM 18 CG1 VAL A 2 2.691 4.983 0.679 1.00 54.15 C ATOM 19 CG2 VAL A 2 2.949 5.576 -1.742 1.00 25.21 C ATOM 0 H VAL A 2 3.346 2.040 0.576 1.00 12.03 H new ATOM 0 HA VAL A 2 4.238 3.354 -1.909 1.00 51.34 H new ATOM 0 HB VAL A 2 1.855 3.921 -0.969 1.00 33.14 H new ATOM 0 HG11 VAL A 2 1.863 5.689 0.746 1.00 54.15 H new ATOM 0 HG12 VAL A 2 2.522 4.158 1.371 1.00 54.15 H new ATOM 0 HG13 VAL A 2 3.621 5.489 0.938 1.00 54.15 H new ATOM 0 HG21 VAL A 2 2.117 6.273 -1.642 1.00 25.21 H new ATOM 0 HG22 VAL A 2 3.886 6.099 -1.549 1.00 25.21 H new ATOM 0 HG23 VAL A 2 2.962 5.169 -2.753 1.00 25.21 H new ATOM 29 N ILE A 3 5.854 4.923 -0.622 1.00 11.24 N ATOM 30 CA ILE A 3 7.012 5.505 0.045 1.00 32.24 C ATOM 31 C ILE A 3 6.780 6.977 0.366 1.00 41.15 C ATOM 32 O ILE A 3 6.246 7.725 -0.455 1.00 65.45 O ATOM 33 CB ILE A 3 8.283 5.372 -0.815 1.00 34.42 C ATOM 34 CG1 ILE A 3 8.566 3.900 -1.119 1.00 25.23 C ATOM 35 CG2 ILE A 3 9.469 6.011 -0.108 1.00 71.22 C ATOM 36 CD1 ILE A 3 9.921 3.664 -1.752 1.00 35.34 C ATOM 0 H ILE A 3 5.655 5.317 -1.542 1.00 11.24 H new ATOM 0 HA ILE A 3 7.152 4.952 0.974 1.00 32.24 H new ATOM 0 HB ILE A 3 8.123 5.894 -1.758 1.00 34.42 H new ATOM 0 HG12 ILE A 3 8.501 3.327 -0.194 1.00 25.23 H new ATOM 0 HG13 ILE A 3 7.791 3.519 -1.785 1.00 25.23 H new ATOM 0 HG21 ILE A 3 10.360 5.909 -0.728 1.00 71.22 H new ATOM 0 HG22 ILE A 3 9.265 7.068 0.063 1.00 71.22 H new ATOM 0 HG23 ILE A 3 9.633 5.514 0.848 1.00 71.22 H new ATOM 0 HD11 ILE A 3 10.054 2.599 -1.940 1.00 35.34 H new ATOM 0 HD12 ILE A 3 9.983 4.209 -2.694 1.00 35.34 H new ATOM 0 HD13 ILE A 3 10.703 4.014 -1.078 1.00 35.34 H new ATOM 48 N ILE A 4 7.185 7.389 1.562 1.00 64.42 N ATOM 49 CA ILE A 4 7.024 8.773 1.989 1.00 20.44 C ATOM 50 C ILE A 4 8.248 9.607 1.625 1.00 23.50 C ATOM 51 O ILE A 4 9.366 9.305 2.044 1.00 75.22 O ATOM 52 CB ILE A 4 6.784 8.869 3.507 1.00 31.13 C ATOM 53 CG1 ILE A 4 5.472 8.178 3.883 1.00 32.04 C ATOM 54 CG2 ILE A 4 6.769 10.325 3.949 1.00 10.14 C ATOM 55 CD1 ILE A 4 5.188 8.189 5.369 1.00 20.23 C ATOM 0 H ILE A 4 7.628 6.783 2.253 1.00 64.42 H new ATOM 0 HA ILE A 4 6.152 9.165 1.466 1.00 20.44 H new ATOM 0 HB ILE A 4 7.600 8.362 4.022 1.00 31.13 H new ATOM 0 HG12 ILE A 4 4.650 8.668 3.361 1.00 32.04 H new ATOM 0 HG13 ILE A 4 5.501 7.146 3.534 1.00 32.04 H new ATOM 0 HG21 ILE A 4 6.598 10.377 5.024 1.00 10.14 H new ATOM 0 HG22 ILE A 4 7.727 10.787 3.711 1.00 10.14 H new ATOM 0 HG23 ILE A 4 5.971 10.855 3.429 1.00 10.14 H new ATOM 0 HD11 ILE A 4 4.243 7.682 5.563 1.00 20.23 H new ATOM 0 HD12 ILE A 4 5.991 7.674 5.897 1.00 20.23 H new ATOM 0 HD13 ILE A 4 5.126 9.219 5.720 1.00 20.23 H new ATOM 67 N LYS A 5 8.028 10.658 0.843 1.00 22.04 N ATOM 68 CA LYS A 5 9.112 11.539 0.424 1.00 42.43 C ATOM 69 C LYS A 5 8.727 13.003 0.610 1.00 33.04 C ATOM 70 O LYS A 5 7.550 13.366 0.598 1.00 3.03 O ATOM 71 CB LYS A 5 9.472 11.278 -1.041 1.00 12.24 C ATOM 72 CG LYS A 5 10.438 10.121 -1.233 1.00 54.00 C ATOM 73 CD LYS A 5 9.841 9.038 -2.117 1.00 40.43 C ATOM 74 CE LYS A 5 10.886 8.009 -2.518 1.00 1.41 C ATOM 75 NZ LYS A 5 10.304 6.926 -3.360 1.00 14.31 N ATOM 0 H LYS A 5 7.109 10.921 0.486 1.00 22.04 H new ATOM 0 HA LYS A 5 9.980 11.328 1.049 1.00 42.43 H new ATOM 0 HB2 LYS A 5 8.559 11.075 -1.600 1.00 12.24 H new ATOM 0 HB3 LYS A 5 9.911 12.181 -1.465 1.00 12.24 H new ATOM 0 HG2 LYS A 5 11.363 10.488 -1.679 1.00 54.00 H new ATOM 0 HG3 LYS A 5 10.698 9.698 -0.263 1.00 54.00 H new ATOM 0 HD2 LYS A 5 9.026 8.544 -1.589 1.00 40.43 H new ATOM 0 HD3 LYS A 5 9.413 9.491 -3.011 1.00 40.43 H new ATOM 0 HE2 LYS A 5 11.690 8.502 -3.065 1.00 1.41 H new ATOM 0 HE3 LYS A 5 11.330 7.574 -1.622 1.00 1.41 H new ATOM 0 HZ1 LYS A 5 10.785 6.028 -3.152 1.00 14.31 H new ATOM 0 HZ2 LYS A 5 9.289 6.832 -3.152 1.00 14.31 H new ATOM 0 HZ3 LYS A 5 10.431 7.162 -4.365 1.00 14.31 H new ATOM 89 N PRO A 6 9.739 13.865 0.786 1.00 74.34 N ATOM 90 CA PRO A 6 9.530 15.303 0.976 1.00 0.23 C ATOM 91 C PRO A 6 9.036 15.990 -0.293 1.00 32.12 C ATOM 92 O PRO A 6 8.599 15.331 -1.236 1.00 33.35 O ATOM 93 CB PRO A 6 10.921 15.817 1.355 1.00 32.52 C ATOM 94 CG PRO A 6 11.865 14.832 0.756 1.00 41.55 C ATOM 95 CD PRO A 6 11.166 13.502 0.811 1.00 11.13 C ATOM 0 HA PRO A 6 8.766 15.508 1.726 1.00 0.23 H new ATOM 0 HB2 PRO A 6 11.093 16.819 0.963 1.00 32.52 H new ATOM 0 HB3 PRO A 6 11.041 15.873 2.437 1.00 32.52 H new ATOM 0 HG2 PRO A 6 12.110 15.102 -0.271 1.00 41.55 H new ATOM 0 HG3 PRO A 6 12.803 14.803 1.311 1.00 41.55 H new ATOM 0 HD2 PRO A 6 11.435 12.871 -0.036 1.00 11.13 H new ATOM 0 HD3 PRO A 6 11.424 12.949 1.714 1.00 11.13 H new ATOM 103 N GLN A 7 9.109 17.317 -0.309 1.00 33.31 N ATOM 104 CA GLN A 7 8.668 18.092 -1.462 1.00 44.12 C ATOM 105 C GLN A 7 9.839 18.830 -2.102 1.00 12.05 C ATOM 106 O GLN A 7 9.721 19.368 -3.203 1.00 20.00 O ATOM 107 CB GLN A 7 7.585 19.091 -1.049 1.00 41.01 C ATOM 108 CG GLN A 7 7.103 19.972 -2.191 1.00 62.31 C ATOM 109 CD GLN A 7 5.789 20.662 -1.879 1.00 65.13 C ATOM 110 OE1 GLN A 7 5.670 21.881 -2.011 1.00 31.40 O ATOM 111 NE2 GLN A 7 4.796 19.886 -1.465 1.00 72.10 N ATOM 0 H GLN A 7 9.469 17.877 0.463 1.00 33.31 H new ATOM 0 HA GLN A 7 8.253 17.400 -2.195 1.00 44.12 H new ATOM 0 HB2 GLN A 7 6.736 18.545 -0.639 1.00 41.01 H new ATOM 0 HB3 GLN A 7 7.972 19.724 -0.251 1.00 41.01 H new ATOM 0 HG2 GLN A 7 7.861 20.724 -2.410 1.00 62.31 H new ATOM 0 HG3 GLN A 7 6.987 19.365 -3.089 1.00 62.31 H new ATOM 0 HE21 GLN A 7 4.940 18.881 -1.370 1.00 72.10 H new ATOM 0 HE22 GLN A 7 3.889 20.295 -1.241 1.00 72.10 H new ATOM 120 N VAL A 8 10.971 18.853 -1.404 1.00 74.55 N ATOM 121 CA VAL A 8 12.165 19.525 -1.904 1.00 73.52 C ATOM 122 C VAL A 8 13.417 18.706 -1.614 1.00 0.12 C ATOM 123 O VAL A 8 13.369 17.715 -0.885 1.00 63.10 O ATOM 124 CB VAL A 8 12.323 20.924 -1.281 1.00 23.31 C ATOM 125 CG1 VAL A 8 11.204 21.844 -1.743 1.00 54.44 C ATOM 126 CG2 VAL A 8 12.356 20.831 0.237 1.00 60.53 C ATOM 0 H VAL A 8 11.086 18.414 -0.491 1.00 74.55 H new ATOM 0 HA VAL A 8 12.044 19.628 -2.982 1.00 73.52 H new ATOM 0 HB VAL A 8 13.270 21.347 -1.616 1.00 23.31 H new ATOM 0 HG11 VAL A 8 11.333 22.828 -1.292 1.00 54.44 H new ATOM 0 HG12 VAL A 8 11.233 21.936 -2.829 1.00 54.44 H new ATOM 0 HG13 VAL A 8 10.243 21.429 -1.440 1.00 54.44 H new ATOM 0 HG21 VAL A 8 12.468 21.829 0.660 1.00 60.53 H new ATOM 0 HG22 VAL A 8 11.427 20.387 0.595 1.00 60.53 H new ATOM 0 HG23 VAL A 8 13.197 20.210 0.545 1.00 60.53 H new ATOM 136 N SER A 9 14.539 19.127 -2.188 1.00 44.42 N ATOM 137 CA SER A 9 15.806 18.432 -1.995 1.00 30.40 C ATOM 138 C SER A 9 16.757 19.263 -1.139 1.00 40.43 C ATOM 139 O SER A 9 16.942 20.456 -1.377 1.00 2.24 O ATOM 140 CB SER A 9 16.454 18.123 -3.346 1.00 1.11 C ATOM 141 OG SER A 9 15.565 18.398 -4.413 1.00 73.12 O ATOM 0 H SER A 9 14.596 19.947 -2.791 1.00 44.42 H new ATOM 0 HA SER A 9 15.603 17.495 -1.476 1.00 30.40 H new ATOM 0 HB2 SER A 9 17.361 18.717 -3.462 1.00 1.11 H new ATOM 0 HB3 SER A 9 16.753 17.075 -3.378 1.00 1.11 H new ATOM 0 HG SER A 9 16.004 18.194 -5.265 1.00 73.12 H new ATOM 147 N GLY A 10 17.358 18.622 -0.141 1.00 41.15 N ATOM 148 CA GLY A 10 18.283 19.317 0.735 1.00 13.13 C ATOM 149 C GLY A 10 18.925 18.392 1.751 1.00 14.21 C ATOM 150 O GLY A 10 19.678 17.488 1.390 1.00 12.12 O ATOM 0 H GLY A 10 17.221 17.635 0.076 1.00 41.15 H new ATOM 0 HA2 GLY A 10 19.061 19.789 0.135 1.00 13.13 H new ATOM 0 HA3 GLY A 10 17.755 20.115 1.257 1.00 13.13 H new ATOM 154 N VAL A 11 18.627 18.619 3.027 1.00 52.32 N ATOM 155 CA VAL A 11 19.181 17.800 4.099 1.00 51.03 C ATOM 156 C VAL A 11 18.161 17.591 5.212 1.00 33.22 C ATOM 157 O VAL A 11 17.364 18.481 5.513 1.00 21.53 O ATOM 158 CB VAL A 11 20.451 18.437 4.693 1.00 62.21 C ATOM 159 CG1 VAL A 11 21.189 17.437 5.569 1.00 33.24 C ATOM 160 CG2 VAL A 11 21.354 18.957 3.585 1.00 25.32 C ATOM 0 H VAL A 11 18.005 19.363 3.343 1.00 52.32 H new ATOM 0 HA VAL A 11 19.439 16.836 3.661 1.00 51.03 H new ATOM 0 HB VAL A 11 20.157 19.282 5.316 1.00 62.21 H new ATOM 0 HG11 VAL A 11 22.084 17.904 5.980 1.00 33.24 H new ATOM 0 HG12 VAL A 11 20.539 17.118 6.384 1.00 33.24 H new ATOM 0 HG13 VAL A 11 21.474 16.571 4.972 1.00 33.24 H new ATOM 0 HG21 VAL A 11 22.247 19.404 4.023 1.00 25.32 H new ATOM 0 HG22 VAL A 11 21.643 18.132 2.934 1.00 25.32 H new ATOM 0 HG23 VAL A 11 20.820 19.708 3.003 1.00 25.32 H new ATOM 170 N ILE A 12 18.192 16.410 5.821 1.00 71.23 N ATOM 171 CA ILE A 12 17.271 16.085 6.903 1.00 23.24 C ATOM 172 C ILE A 12 17.446 17.039 8.079 1.00 14.35 C ATOM 173 O ILE A 12 18.552 17.503 8.359 1.00 72.22 O ATOM 174 CB ILE A 12 17.472 14.639 7.397 1.00 71.25 C ATOM 175 CG1 ILE A 12 17.273 13.652 6.245 1.00 53.33 C ATOM 176 CG2 ILE A 12 16.512 14.332 8.536 1.00 34.33 C ATOM 177 CD1 ILE A 12 15.837 13.545 5.782 1.00 70.43 C ATOM 0 H ILE A 12 18.845 15.663 5.583 1.00 71.23 H new ATOM 0 HA ILE A 12 16.263 16.188 6.501 1.00 23.24 H new ATOM 0 HB ILE A 12 18.492 14.535 7.768 1.00 71.25 H new ATOM 0 HG12 ILE A 12 17.896 13.957 5.404 1.00 53.33 H new ATOM 0 HG13 ILE A 12 17.620 12.667 6.557 1.00 53.33 H new ATOM 0 HG21 ILE A 12 16.665 13.307 8.875 1.00 34.33 H new ATOM 0 HG22 ILE A 12 16.696 15.019 9.362 1.00 34.33 H new ATOM 0 HG23 ILE A 12 15.486 14.449 8.188 1.00 34.33 H new ATOM 0 HD11 ILE A 12 15.771 12.828 4.964 1.00 70.43 H new ATOM 0 HD12 ILE A 12 15.212 13.210 6.610 1.00 70.43 H new ATOM 0 HD13 ILE A 12 15.492 14.520 5.438 1.00 70.43 H new ATOM 189 N VAL A 13 16.346 17.330 8.766 1.00 34.22 N ATOM 190 CA VAL A 13 16.377 18.228 9.915 1.00 41.40 C ATOM 191 C VAL A 13 15.954 17.505 11.190 1.00 43.53 C ATOM 192 O VAL A 13 16.491 17.760 12.266 1.00 11.03 O ATOM 193 CB VAL A 13 15.459 19.446 9.700 1.00 13.14 C ATOM 194 CG1 VAL A 13 15.868 20.591 10.615 1.00 41.22 C ATOM 195 CG2 VAL A 13 15.486 19.882 8.243 1.00 40.14 C ATOM 0 H VAL A 13 15.422 16.957 8.547 1.00 34.22 H new ATOM 0 HA VAL A 13 17.406 18.572 10.020 1.00 41.40 H new ATOM 0 HB VAL A 13 14.438 19.159 9.951 1.00 13.14 H new ATOM 0 HG11 VAL A 13 15.208 21.443 10.449 1.00 41.22 H new ATOM 0 HG12 VAL A 13 15.793 20.271 11.654 1.00 41.22 H new ATOM 0 HG13 VAL A 13 16.896 20.881 10.398 1.00 41.22 H new ATOM 0 HG21 VAL A 13 14.832 20.744 8.109 1.00 40.14 H new ATOM 0 HG22 VAL A 13 16.504 20.152 7.963 1.00 40.14 H new ATOM 0 HG23 VAL A 13 15.141 19.063 7.612 1.00 40.14 H new ATOM 205 N ASN A 14 14.989 16.602 11.058 1.00 62.40 N ATOM 206 CA ASN A 14 14.493 15.841 12.199 1.00 23.12 C ATOM 207 C ASN A 14 13.521 14.755 11.748 1.00 12.11 C ATOM 208 O ASN A 14 13.176 14.664 10.570 1.00 44.12 O ATOM 209 CB ASN A 14 13.806 16.773 13.199 1.00 23.32 C ATOM 210 CG ASN A 14 13.891 16.256 14.622 1.00 34.52 C ATOM 211 OD1 ASN A 14 14.830 15.547 14.983 1.00 40.31 O ATOM 212 ND2 ASN A 14 12.904 16.609 15.440 1.00 42.40 N ATOM 0 H ASN A 14 14.535 16.379 10.173 1.00 62.40 H new ATOM 0 HA ASN A 14 15.344 15.363 12.683 1.00 23.12 H new ATOM 0 HB2 ASN A 14 14.265 17.760 13.146 1.00 23.32 H new ATOM 0 HB3 ASN A 14 12.759 16.892 12.920 1.00 23.32 H new ATOM 0 HD21 ASN A 14 12.906 16.290 16.409 1.00 42.40 H new ATOM 0 HD22 ASN A 14 12.145 17.198 15.099 1.00 42.40 H new ATOM 219 N LYS A 15 13.081 13.932 12.695 1.00 51.54 N ATOM 220 CA LYS A 15 12.147 12.853 12.398 1.00 64.40 C ATOM 221 C LYS A 15 11.131 12.688 13.523 1.00 25.15 C ATOM 222 O LYS A 15 11.486 12.321 14.645 1.00 52.31 O ATOM 223 CB LYS A 15 12.905 11.540 12.183 1.00 13.00 C ATOM 224 CG LYS A 15 13.791 11.151 13.353 1.00 52.10 C ATOM 225 CD LYS A 15 15.190 10.778 12.893 1.00 2.15 C ATOM 226 CE LYS A 15 15.203 9.436 12.178 1.00 33.11 C ATOM 227 NZ LYS A 15 16.333 8.578 12.628 1.00 1.45 N ATOM 0 H LYS A 15 13.357 13.992 13.675 1.00 51.54 H new ATOM 0 HA LYS A 15 11.611 13.110 11.484 1.00 64.40 H new ATOM 0 HB2 LYS A 15 12.186 10.741 12.001 1.00 13.00 H new ATOM 0 HB3 LYS A 15 13.519 11.627 11.286 1.00 13.00 H new ATOM 0 HG2 LYS A 15 13.848 11.980 14.059 1.00 52.10 H new ATOM 0 HG3 LYS A 15 13.345 10.310 13.884 1.00 52.10 H new ATOM 0 HD2 LYS A 15 15.573 11.550 12.226 1.00 2.15 H new ATOM 0 HD3 LYS A 15 15.859 10.740 13.753 1.00 2.15 H new ATOM 0 HE2 LYS A 15 14.260 8.919 12.359 1.00 33.11 H new ATOM 0 HE3 LYS A 15 15.276 9.598 11.103 1.00 33.11 H new ATOM 0 HZ1 LYS A 15 16.306 7.673 12.117 1.00 1.45 H new ATOM 0 HZ2 LYS A 15 17.234 9.060 12.432 1.00 1.45 H new ATOM 0 HZ3 LYS A 15 16.249 8.402 13.650 1.00 1.45 H new ATOM 241 N LEU A 16 9.867 12.957 13.217 1.00 63.32 N ATOM 242 CA LEU A 16 8.799 12.836 14.202 1.00 53.54 C ATOM 243 C LEU A 16 7.914 11.630 13.902 1.00 41.20 C ATOM 244 O LEU A 16 6.693 11.752 13.804 1.00 40.02 O ATOM 245 CB LEU A 16 7.952 14.110 14.225 1.00 41.24 C ATOM 246 CG LEU A 16 8.688 15.411 13.901 1.00 3.21 C ATOM 247 CD1 LEU A 16 7.726 16.588 13.914 1.00 35.23 C ATOM 248 CD2 LEU A 16 9.826 15.639 14.886 1.00 10.54 C ATOM 0 H LEU A 16 9.557 13.261 12.294 1.00 63.32 H new ATOM 0 HA LEU A 16 9.257 12.693 15.181 1.00 53.54 H new ATOM 0 HB2 LEU A 16 7.134 13.992 13.514 1.00 41.24 H new ATOM 0 HB3 LEU A 16 7.503 14.206 15.214 1.00 41.24 H new ATOM 0 HG LEU A 16 9.111 15.326 12.900 1.00 3.21 H new ATOM 0 HD11 LEU A 16 8.269 17.504 13.681 1.00 35.23 H new ATOM 0 HD12 LEU A 16 6.946 16.429 13.169 1.00 35.23 H new ATOM 0 HD13 LEU A 16 7.272 16.676 14.901 1.00 35.23 H new ATOM 0 HD21 LEU A 16 10.339 16.569 14.641 1.00 10.54 H new ATOM 0 HD22 LEU A 16 9.425 15.702 15.897 1.00 10.54 H new ATOM 0 HD23 LEU A 16 10.531 14.810 14.826 1.00 10.54 H new ATOM 260 N PHE A 17 8.539 10.466 13.759 1.00 73.12 N ATOM 261 CA PHE A 17 7.809 9.237 13.470 1.00 32.31 C ATOM 262 C PHE A 17 8.317 8.087 14.334 1.00 21.54 C ATOM 263 O PHE A 17 9.341 8.206 15.008 1.00 4.41 O ATOM 264 CB PHE A 17 7.942 8.875 11.990 1.00 73.24 C ATOM 265 CG PHE A 17 9.088 7.950 11.700 1.00 20.01 C ATOM 266 CD1 PHE A 17 10.395 8.408 11.750 1.00 41.21 C ATOM 267 CD2 PHE A 17 8.860 6.621 11.377 1.00 52.22 C ATOM 268 CE1 PHE A 17 11.452 7.559 11.482 1.00 12.43 C ATOM 269 CE2 PHE A 17 9.913 5.768 11.109 1.00 24.43 C ATOM 270 CZ PHE A 17 11.211 6.237 11.163 1.00 64.23 C ATOM 0 H PHE A 17 9.549 10.348 13.838 1.00 73.12 H new ATOM 0 HA PHE A 17 6.757 9.406 13.702 1.00 32.31 H new ATOM 0 HB2 PHE A 17 7.016 8.409 11.653 1.00 73.24 H new ATOM 0 HB3 PHE A 17 8.068 9.790 11.410 1.00 73.24 H new ATOM 0 HD1 PHE A 17 10.590 9.440 12.001 1.00 41.21 H new ATOM 0 HD2 PHE A 17 7.847 6.248 11.334 1.00 52.22 H new ATOM 0 HE1 PHE A 17 12.466 7.929 11.522 1.00 12.43 H new ATOM 0 HE2 PHE A 17 9.721 4.735 10.857 1.00 24.43 H new ATOM 0 HZ PHE A 17 12.036 5.571 10.956 1.00 64.23 H new ATOM 280 N LYS A 18 7.595 6.973 14.311 1.00 73.42 N ATOM 281 CA LYS A 18 7.971 5.799 15.091 1.00 61.13 C ATOM 282 C LYS A 18 8.013 4.553 14.212 1.00 62.34 C ATOM 283 O LYS A 18 7.380 4.503 13.157 1.00 11.40 O ATOM 284 CB LYS A 18 6.987 5.590 16.244 1.00 55.44 C ATOM 285 CG LYS A 18 7.242 6.499 17.433 1.00 53.42 C ATOM 286 CD LYS A 18 8.393 5.993 18.285 1.00 23.45 C ATOM 287 CE LYS A 18 7.893 5.315 19.552 1.00 20.21 C ATOM 288 NZ LYS A 18 8.852 4.291 20.050 1.00 25.42 N ATOM 0 H LYS A 18 6.744 6.857 13.760 1.00 73.42 H new ATOM 0 HA LYS A 18 8.968 5.969 15.499 1.00 61.13 H new ATOM 0 HB2 LYS A 18 5.973 5.757 15.880 1.00 55.44 H new ATOM 0 HB3 LYS A 18 7.041 4.552 16.573 1.00 55.44 H new ATOM 0 HG2 LYS A 18 7.464 7.506 17.081 1.00 53.42 H new ATOM 0 HG3 LYS A 18 6.340 6.566 18.041 1.00 53.42 H new ATOM 0 HD2 LYS A 18 8.993 5.290 17.707 1.00 23.45 H new ATOM 0 HD3 LYS A 18 9.045 6.826 18.550 1.00 23.45 H new ATOM 0 HE2 LYS A 18 7.730 6.066 20.325 1.00 20.21 H new ATOM 0 HE3 LYS A 18 6.929 4.845 19.356 1.00 20.21 H new ATOM 0 HZ1 LYS A 18 8.474 3.853 20.914 1.00 25.42 H new ATOM 0 HZ2 LYS A 18 8.989 3.560 19.323 1.00 25.42 H new ATOM 0 HZ3 LYS A 18 9.764 4.744 20.262 1.00 25.42 H new ATOM 302 N ALA A 19 8.760 3.547 14.655 1.00 63.12 N ATOM 303 CA ALA A 19 8.881 2.299 13.910 1.00 14.32 C ATOM 304 C ALA A 19 7.786 1.315 14.307 1.00 4.44 C ATOM 305 O ALA A 19 7.790 0.782 15.417 1.00 42.13 O ATOM 306 CB ALA A 19 10.255 1.683 14.133 1.00 73.00 C ATOM 0 H ALA A 19 9.290 3.572 15.526 1.00 63.12 H new ATOM 0 HA ALA A 19 8.764 2.524 12.850 1.00 14.32 H new ATOM 0 HB1 ALA A 19 10.332 0.752 13.571 1.00 73.00 H new ATOM 0 HB2 ALA A 19 11.024 2.376 13.793 1.00 73.00 H new ATOM 0 HB3 ALA A 19 10.394 1.479 15.195 1.00 73.00 H new ATOM 312 N GLY A 20 6.850 1.079 13.394 1.00 34.12 N ATOM 313 CA GLY A 20 5.761 0.159 13.669 1.00 32.04 C ATOM 314 C GLY A 20 4.562 0.849 14.289 1.00 3.15 C ATOM 315 O GLY A 20 3.743 0.210 14.950 1.00 5.21 O ATOM 0 H GLY A 20 6.826 1.508 12.469 1.00 34.12 H new ATOM 0 HA2 GLY A 20 5.457 -0.327 12.742 1.00 32.04 H new ATOM 0 HA3 GLY A 20 6.112 -0.625 14.340 1.00 32.04 H new ATOM 319 N ASP A 21 4.459 2.156 14.078 1.00 71.42 N ATOM 320 CA ASP A 21 3.351 2.933 14.621 1.00 3.04 C ATOM 321 C ASP A 21 2.347 3.286 13.528 1.00 33.00 C ATOM 322 O ASP A 21 2.506 2.893 12.373 1.00 2.01 O ATOM 323 CB ASP A 21 3.873 4.210 15.283 1.00 32.34 C ATOM 324 CG ASP A 21 3.534 4.276 16.760 1.00 73.44 C ATOM 325 OD1 ASP A 21 3.949 3.364 17.505 1.00 12.21 O ATOM 326 OD2 ASP A 21 2.852 5.239 17.170 1.00 72.55 O ATOM 0 H ASP A 21 5.129 2.700 13.535 1.00 71.42 H new ATOM 0 HA ASP A 21 2.845 2.324 15.370 1.00 3.04 H new ATOM 0 HB2 ASP A 21 4.954 4.265 15.158 1.00 32.34 H new ATOM 0 HB3 ASP A 21 3.450 5.078 14.777 1.00 32.34 H new ATOM 331 N LYS A 22 1.311 4.029 13.902 1.00 52.53 N ATOM 332 CA LYS A 22 0.280 4.436 12.955 1.00 52.33 C ATOM 333 C LYS A 22 0.490 5.880 12.509 1.00 63.21 C ATOM 334 O LYS A 22 1.053 6.692 13.244 1.00 54.35 O ATOM 335 CB LYS A 22 -1.108 4.283 13.583 1.00 45.03 C ATOM 336 CG LYS A 22 -1.848 3.039 13.122 1.00 61.21 C ATOM 337 CD LYS A 22 -3.217 3.382 12.558 1.00 65.50 C ATOM 338 CE LYS A 22 -4.199 2.235 12.743 1.00 11.14 C ATOM 339 NZ LYS A 22 -5.201 2.179 11.643 1.00 61.24 N ATOM 0 H LYS A 22 1.163 4.362 14.855 1.00 52.53 H new ATOM 0 HA LYS A 22 0.350 3.789 12.080 1.00 52.33 H new ATOM 0 HB2 LYS A 22 -1.006 4.254 14.668 1.00 45.03 H new ATOM 0 HB3 LYS A 22 -1.706 5.162 13.342 1.00 45.03 H new ATOM 0 HG2 LYS A 22 -1.259 2.525 12.363 1.00 61.21 H new ATOM 0 HG3 LYS A 22 -1.960 2.350 13.959 1.00 61.21 H new ATOM 0 HD2 LYS A 22 -3.602 4.275 13.051 1.00 65.50 H new ATOM 0 HD3 LYS A 22 -3.126 3.617 11.498 1.00 65.50 H new ATOM 0 HE2 LYS A 22 -3.653 1.293 12.785 1.00 11.14 H new ATOM 0 HE3 LYS A 22 -4.713 2.348 13.697 1.00 11.14 H new ATOM 0 HZ1 LYS A 22 -5.852 1.384 11.806 1.00 61.24 H new ATOM 0 HZ2 LYS A 22 -5.740 3.068 11.619 1.00 61.24 H new ATOM 0 HZ3 LYS A 22 -4.712 2.046 10.735 1.00 61.24 H new ATOM 353 N VAL A 23 0.034 6.194 11.300 1.00 71.24 N ATOM 354 CA VAL A 23 0.169 7.540 10.757 1.00 32.11 C ATOM 355 C VAL A 23 -1.186 8.108 10.352 1.00 52.42 C ATOM 356 O VAL A 23 -2.160 7.371 10.196 1.00 31.41 O ATOM 357 CB VAL A 23 1.108 7.561 9.537 1.00 20.31 C ATOM 358 CG1 VAL A 23 2.552 7.363 9.971 1.00 43.42 C ATOM 359 CG2 VAL A 23 0.695 6.499 8.529 1.00 3.04 C ATOM 0 H VAL A 23 -0.432 5.534 10.678 1.00 71.24 H new ATOM 0 HA VAL A 23 0.597 8.158 11.546 1.00 32.11 H new ATOM 0 HB VAL A 23 1.029 8.536 9.056 1.00 20.31 H new ATOM 0 HG11 VAL A 23 3.201 7.381 9.095 1.00 43.42 H new ATOM 0 HG12 VAL A 23 2.840 8.163 10.652 1.00 43.42 H new ATOM 0 HG13 VAL A 23 2.651 6.403 10.477 1.00 43.42 H new ATOM 0 HG21 VAL A 23 1.369 6.528 7.673 1.00 3.04 H new ATOM 0 HG22 VAL A 23 0.744 5.515 8.996 1.00 3.04 H new ATOM 0 HG23 VAL A 23 -0.324 6.692 8.194 1.00 3.04 H new ATOM 369 N LYS A 24 -1.243 9.425 10.181 1.00 22.34 N ATOM 370 CA LYS A 24 -2.478 10.095 9.791 1.00 21.42 C ATOM 371 C LYS A 24 -2.381 10.629 8.366 1.00 2.03 C ATOM 372 O LYS A 24 -1.404 10.374 7.662 1.00 4.41 O ATOM 373 CB LYS A 24 -2.787 11.241 10.757 1.00 21.54 C ATOM 374 CG LYS A 24 -4.030 11.009 11.599 1.00 31.44 C ATOM 375 CD LYS A 24 -5.299 11.246 10.798 1.00 41.31 C ATOM 376 CE LYS A 24 -5.456 12.713 10.424 1.00 25.34 C ATOM 377 NZ LYS A 24 -6.662 13.319 11.052 1.00 34.12 N ATOM 0 H LYS A 24 -0.447 10.050 10.307 1.00 22.34 H new ATOM 0 HA LYS A 24 -3.287 9.365 9.832 1.00 21.42 H new ATOM 0 HB2 LYS A 24 -1.933 11.388 11.418 1.00 21.54 H new ATOM 0 HB3 LYS A 24 -2.911 12.162 10.187 1.00 21.54 H new ATOM 0 HG2 LYS A 24 -4.026 9.988 11.982 1.00 31.44 H new ATOM 0 HG3 LYS A 24 -4.015 11.674 12.463 1.00 31.44 H new ATOM 0 HD2 LYS A 24 -5.278 10.639 9.893 1.00 41.31 H new ATOM 0 HD3 LYS A 24 -6.163 10.923 11.379 1.00 41.31 H new ATOM 0 HE2 LYS A 24 -4.569 13.264 10.735 1.00 25.34 H new ATOM 0 HE3 LYS A 24 -5.525 12.806 9.340 1.00 25.34 H new ATOM 0 HZ1 LYS A 24 -6.734 14.318 10.773 1.00 34.12 H new ATOM 0 HZ2 LYS A 24 -7.511 12.809 10.735 1.00 34.12 H new ATOM 0 HZ3 LYS A 24 -6.585 13.253 12.087 1.00 34.12 H new ATOM 391 N LYS A 25 -3.400 11.371 7.947 1.00 20.34 N ATOM 392 CA LYS A 25 -3.430 11.944 6.607 1.00 4.41 C ATOM 393 C LYS A 25 -2.704 13.285 6.573 1.00 53.24 C ATOM 394 O LYS A 25 -3.334 14.343 6.573 1.00 11.14 O ATOM 395 CB LYS A 25 -4.875 12.121 6.137 1.00 31.10 C ATOM 396 CG LYS A 25 -5.554 10.818 5.755 1.00 23.00 C ATOM 397 CD LYS A 25 -7.029 11.024 5.453 1.00 13.51 C ATOM 398 CE LYS A 25 -7.560 9.959 4.508 1.00 23.40 C ATOM 399 NZ LYS A 25 -8.849 9.385 4.986 1.00 4.22 N ATOM 0 H LYS A 25 -4.217 11.590 8.517 1.00 20.34 H new ATOM 0 HA LYS A 25 -2.918 11.257 5.933 1.00 4.41 H new ATOM 0 HB2 LYS A 25 -5.449 12.602 6.929 1.00 31.10 H new ATOM 0 HB3 LYS A 25 -4.889 12.794 5.279 1.00 31.10 H new ATOM 0 HG2 LYS A 25 -5.059 10.391 4.882 1.00 23.00 H new ATOM 0 HG3 LYS A 25 -5.445 10.099 6.567 1.00 23.00 H new ATOM 0 HD2 LYS A 25 -7.598 11.003 6.383 1.00 13.51 H new ATOM 0 HD3 LYS A 25 -7.176 12.010 5.011 1.00 13.51 H new ATOM 0 HE2 LYS A 25 -7.700 10.390 3.517 1.00 23.40 H new ATOM 0 HE3 LYS A 25 -6.823 9.162 4.408 1.00 23.40 H new ATOM 0 HZ1 LYS A 25 -9.178 8.663 4.314 1.00 4.22 H new ATOM 0 HZ2 LYS A 25 -8.710 8.951 5.921 1.00 4.22 H new ATOM 0 HZ3 LYS A 25 -9.560 10.140 5.057 1.00 4.22 H new ATOM 413 N GLY A 26 -1.376 13.235 6.541 1.00 13.11 N ATOM 414 CA GLY A 26 -0.588 14.453 6.506 1.00 51.12 C ATOM 415 C GLY A 26 0.123 14.723 7.817 1.00 74.21 C ATOM 416 O GLY A 26 0.587 15.837 8.061 1.00 61.11 O ATOM 0 H GLY A 26 -0.832 12.372 6.539 1.00 13.11 H new ATOM 0 HA2 GLY A 26 0.148 14.383 5.705 1.00 51.12 H new ATOM 0 HA3 GLY A 26 -1.238 15.295 6.269 1.00 51.12 H new ATOM 420 N GLN A 27 0.205 13.701 8.664 1.00 15.41 N ATOM 421 CA GLN A 27 0.862 13.836 9.960 1.00 41.13 C ATOM 422 C GLN A 27 2.372 13.977 9.793 1.00 53.34 C ATOM 423 O GLN A 27 2.955 13.450 8.844 1.00 75.01 O ATOM 424 CB GLN A 27 0.546 12.627 10.842 1.00 14.11 C ATOM 425 CG GLN A 27 1.602 11.536 10.782 1.00 3.51 C ATOM 426 CD GLN A 27 1.640 10.690 12.040 1.00 43.10 C ATOM 427 OE1 GLN A 27 2.712 10.358 12.545 1.00 23.43 O ATOM 428 NE2 GLN A 27 0.467 10.337 12.551 1.00 14.35 N ATOM 0 H GLN A 27 -0.174 12.773 8.477 1.00 15.41 H new ATOM 0 HA GLN A 27 0.482 14.738 10.440 1.00 41.13 H new ATOM 0 HB2 GLN A 27 0.438 12.960 11.874 1.00 14.11 H new ATOM 0 HB3 GLN A 27 -0.414 12.209 10.540 1.00 14.11 H new ATOM 0 HG2 GLN A 27 1.407 10.894 9.923 1.00 3.51 H new ATOM 0 HG3 GLN A 27 2.580 11.991 10.625 1.00 3.51 H new ATOM 0 HE21 GLN A 27 -0.397 10.635 12.098 1.00 14.35 H new ATOM 0 HE22 GLN A 27 0.430 9.767 13.396 1.00 14.35 H new ATOM 437 N THR A 28 3.001 14.693 10.720 1.00 74.42 N ATOM 438 CA THR A 28 4.441 14.906 10.674 1.00 23.53 C ATOM 439 C THR A 28 5.196 13.608 10.938 1.00 23.44 C ATOM 440 O THR A 28 4.874 12.867 11.868 1.00 12.31 O ATOM 441 CB THR A 28 4.886 15.963 11.702 1.00 14.54 C ATOM 442 OG1 THR A 28 3.782 16.810 12.041 1.00 13.31 O ATOM 443 CG2 THR A 28 6.027 16.805 11.153 1.00 43.34 C ATOM 0 H THR A 28 2.535 15.135 11.512 1.00 74.42 H new ATOM 0 HA THR A 28 4.676 15.264 9.672 1.00 23.53 H new ATOM 0 HB THR A 28 5.235 15.445 12.595 1.00 14.54 H new ATOM 0 HG1 THR A 28 4.072 17.479 12.696 1.00 13.31 H new ATOM 0 HG21 THR A 28 6.324 17.544 11.897 1.00 43.34 H new ATOM 0 HG22 THR A 28 6.876 16.161 10.922 1.00 43.34 H new ATOM 0 HG23 THR A 28 5.700 17.314 10.246 1.00 43.34 H new ATOM 451 N LEU A 29 6.204 13.338 10.115 1.00 31.14 N ATOM 452 CA LEU A 29 7.007 12.129 10.262 1.00 62.23 C ATOM 453 C LEU A 29 8.490 12.436 10.086 1.00 5.42 C ATOM 454 O LEU A 29 9.338 11.880 10.786 1.00 74.30 O ATOM 455 CB LEU A 29 6.569 11.076 9.241 1.00 11.00 C ATOM 456 CG LEU A 29 5.074 10.754 9.208 1.00 2.14 C ATOM 457 CD1 LEU A 29 4.727 9.956 7.961 1.00 3.24 C ATOM 458 CD2 LEU A 29 4.665 9.995 10.461 1.00 30.44 C ATOM 0 H LEU A 29 6.484 13.939 9.340 1.00 31.14 H new ATOM 0 HA LEU A 29 6.852 11.739 11.268 1.00 62.23 H new ATOM 0 HB2 LEU A 29 6.870 11.414 8.249 1.00 11.00 H new ATOM 0 HB3 LEU A 29 7.114 10.154 9.443 1.00 11.00 H new ATOM 0 HG LEU A 29 4.520 11.692 9.179 1.00 2.14 H new ATOM 0 HD11 LEU A 29 3.659 9.736 7.955 1.00 3.24 H new ATOM 0 HD12 LEU A 29 4.983 10.536 7.075 1.00 3.24 H new ATOM 0 HD13 LEU A 29 5.290 9.022 7.958 1.00 3.24 H new ATOM 0 HD21 LEU A 29 3.598 9.774 10.421 1.00 30.44 H new ATOM 0 HD22 LEU A 29 5.227 9.063 10.521 1.00 30.44 H new ATOM 0 HD23 LEU A 29 4.877 10.603 11.340 1.00 30.44 H new ATOM 470 N PHE A 30 8.799 13.326 9.149 1.00 10.41 N ATOM 471 CA PHE A 30 10.181 13.709 8.883 1.00 51.13 C ATOM 472 C PHE A 30 10.278 15.194 8.546 1.00 41.34 C ATOM 473 O PHE A 30 9.264 15.882 8.426 1.00 52.24 O ATOM 474 CB PHE A 30 10.751 12.875 7.734 1.00 43.12 C ATOM 475 CG PHE A 30 11.388 11.591 8.183 1.00 42.32 C ATOM 476 CD1 PHE A 30 10.634 10.436 8.312 1.00 11.50 C ATOM 477 CD2 PHE A 30 12.741 11.541 8.477 1.00 63.51 C ATOM 478 CE1 PHE A 30 11.217 9.254 8.725 1.00 64.41 C ATOM 479 CE2 PHE A 30 13.329 10.360 8.891 1.00 44.44 C ATOM 480 CZ PHE A 30 12.567 9.215 9.016 1.00 41.35 C ATOM 0 H PHE A 30 8.111 13.796 8.561 1.00 10.41 H new ATOM 0 HA PHE A 30 10.765 13.520 9.784 1.00 51.13 H new ATOM 0 HB2 PHE A 30 9.951 12.647 7.029 1.00 43.12 H new ATOM 0 HB3 PHE A 30 11.490 13.469 7.196 1.00 43.12 H new ATOM 0 HD1 PHE A 30 9.578 10.460 8.087 1.00 11.50 H new ATOM 0 HD2 PHE A 30 13.342 12.433 8.382 1.00 63.51 H new ATOM 0 HE1 PHE A 30 10.618 8.361 8.820 1.00 64.41 H new ATOM 0 HE2 PHE A 30 14.385 10.333 9.117 1.00 44.44 H new ATOM 0 HZ PHE A 30 13.025 8.292 9.340 1.00 41.35 H new ATOM 490 N ILE A 31 11.505 15.681 8.395 1.00 12.21 N ATOM 491 CA ILE A 31 11.736 17.084 8.071 1.00 33.24 C ATOM 492 C ILE A 31 13.020 17.259 7.269 1.00 44.33 C ATOM 493 O ILE A 31 14.039 16.631 7.564 1.00 54.15 O ATOM 494 CB ILE A 31 11.816 17.949 9.343 1.00 0.14 C ATOM 495 CG1 ILE A 31 10.581 17.725 10.218 1.00 51.14 C ATOM 496 CG2 ILE A 31 11.952 19.419 8.976 1.00 12.02 C ATOM 497 CD1 ILE A 31 10.539 18.610 11.444 1.00 44.43 C ATOM 0 H ILE A 31 12.355 15.125 8.492 1.00 12.21 H new ATOM 0 HA ILE A 31 10.888 17.413 7.470 1.00 33.24 H new ATOM 0 HB ILE A 31 12.698 17.653 9.911 1.00 0.14 H new ATOM 0 HG12 ILE A 31 9.686 17.902 9.621 1.00 51.14 H new ATOM 0 HG13 ILE A 31 10.553 16.682 10.532 1.00 51.14 H new ATOM 0 HG21 ILE A 31 12.007 20.017 9.885 1.00 12.02 H new ATOM 0 HG22 ILE A 31 12.859 19.565 8.390 1.00 12.02 H new ATOM 0 HG23 ILE A 31 11.087 19.729 8.390 1.00 12.02 H new ATOM 0 HD11 ILE A 31 9.636 18.396 12.016 1.00 44.43 H new ATOM 0 HD12 ILE A 31 11.415 18.416 12.063 1.00 44.43 H new ATOM 0 HD13 ILE A 31 10.535 19.656 11.138 1.00 44.43 H new ATOM 509 N ILE A 32 12.967 18.116 6.256 1.00 73.42 N ATOM 510 CA ILE A 32 14.127 18.376 5.412 1.00 31.10 C ATOM 511 C ILE A 32 14.215 19.852 5.039 1.00 52.21 C ATOM 512 O ILE A 32 13.202 20.494 4.763 1.00 30.13 O ATOM 513 CB ILE A 32 14.087 17.533 4.125 1.00 61.25 C ATOM 514 CG1 ILE A 32 14.492 16.088 4.422 1.00 62.54 C ATOM 515 CG2 ILE A 32 14.999 18.138 3.068 1.00 53.04 C ATOM 516 CD1 ILE A 32 13.656 15.063 3.687 1.00 23.13 C ATOM 0 H ILE A 32 12.132 18.643 5.999 1.00 73.42 H new ATOM 0 HA ILE A 32 15.008 18.097 5.991 1.00 31.10 H new ATOM 0 HB ILE A 32 13.067 17.532 3.740 1.00 61.25 H new ATOM 0 HG12 ILE A 32 15.540 15.950 4.154 1.00 62.54 H new ATOM 0 HG13 ILE A 32 14.411 15.910 5.494 1.00 62.54 H new ATOM 0 HG21 ILE A 32 14.960 17.531 2.163 1.00 53.04 H new ATOM 0 HG22 ILE A 32 14.669 19.151 2.839 1.00 53.04 H new ATOM 0 HG23 ILE A 32 16.022 18.166 3.443 1.00 53.04 H new ATOM 0 HD11 ILE A 32 13.999 14.061 3.945 1.00 23.13 H new ATOM 0 HD12 ILE A 32 12.610 15.174 3.973 1.00 23.13 H new ATOM 0 HD13 ILE A 32 13.756 15.215 2.612 1.00 23.13 H new ATOM 528 N GLU A 33 15.434 20.383 5.029 1.00 31.35 N ATOM 529 CA GLU A 33 15.654 21.783 4.687 1.00 21.12 C ATOM 530 C GLU A 33 16.349 21.911 3.335 1.00 64.45 C ATOM 531 O GLU A 33 17.558 21.711 3.226 1.00 62.01 O ATOM 532 CB GLU A 33 16.490 22.470 5.769 1.00 45.10 C ATOM 533 CG GLU A 33 17.100 23.788 5.323 1.00 64.54 C ATOM 534 CD GLU A 33 18.566 23.657 4.955 1.00 23.53 C ATOM 535 OE1 GLU A 33 19.267 22.845 5.596 1.00 71.12 O ATOM 536 OE2 GLU A 33 19.012 24.365 4.030 1.00 13.42 O ATOM 0 H GLU A 33 16.283 19.865 5.254 1.00 31.35 H new ATOM 0 HA GLU A 33 14.682 22.271 4.624 1.00 21.12 H new ATOM 0 HB2 GLU A 33 15.863 22.647 6.643 1.00 45.10 H new ATOM 0 HB3 GLU A 33 17.289 21.797 6.081 1.00 45.10 H new ATOM 0 HG2 GLU A 33 16.546 24.168 4.465 1.00 64.54 H new ATOM 0 HG3 GLU A 33 16.994 24.522 6.122 1.00 64.54 H new ATOM 543 N GLN A 34 15.574 22.243 2.308 1.00 71.44 N ATOM 544 CA GLN A 34 16.114 22.395 0.961 1.00 12.35 C ATOM 545 C GLN A 34 17.408 23.204 0.983 1.00 55.53 C ATOM 546 O GLN A 34 17.619 24.031 1.870 1.00 30.21 O ATOM 547 CB GLN A 34 15.089 23.073 0.052 1.00 41.14 C ATOM 548 CG GLN A 34 14.315 24.190 0.732 1.00 31.45 C ATOM 549 CD GLN A 34 12.850 23.850 0.928 1.00 22.51 C ATOM 550 OE1 GLN A 34 12.049 23.947 -0.002 1.00 23.05 O ATOM 551 NE2 GLN A 34 12.493 23.447 2.142 1.00 52.00 N ATOM 0 H GLN A 34 14.571 22.412 2.382 1.00 71.44 H new ATOM 0 HA GLN A 34 16.334 21.402 0.569 1.00 12.35 H new ATOM 0 HB2 GLN A 34 15.602 23.477 -0.821 1.00 41.14 H new ATOM 0 HB3 GLN A 34 14.385 22.323 -0.310 1.00 41.14 H new ATOM 0 HG2 GLN A 34 14.767 24.403 1.701 1.00 31.45 H new ATOM 0 HG3 GLN A 34 14.397 25.099 0.136 1.00 31.45 H new ATOM 0 HE21 GLN A 34 13.191 23.381 2.883 1.00 52.00 H new ATOM 0 HE22 GLN A 34 11.521 23.203 2.333 1.00 52.00 H new ATOM 560 N ASP A 35 18.268 22.960 0.001 1.00 14.43 N ATOM 561 CA ASP A 35 19.540 23.667 -0.094 1.00 20.24 C ATOM 562 C ASP A 35 19.341 25.074 -0.648 1.00 64.44 C ATOM 563 O ASP A 35 19.797 26.054 -0.060 1.00 61.41 O ATOM 564 CB ASP A 35 20.515 22.889 -0.980 1.00 33.52 C ATOM 565 CG ASP A 35 21.954 23.039 -0.527 1.00 43.13 C ATOM 566 OD1 ASP A 35 22.207 22.941 0.692 1.00 62.44 O ATOM 567 OD2 ASP A 35 22.828 23.255 -1.392 1.00 3.30 O ATOM 0 H ASP A 35 18.108 22.278 -0.741 1.00 14.43 H new ATOM 0 HA ASP A 35 19.958 23.748 0.909 1.00 20.24 H new ATOM 0 HB2 ASP A 35 20.243 21.833 -0.974 1.00 33.52 H new ATOM 0 HB3 ASP A 35 20.423 23.236 -2.009 1.00 33.52 H new ATOM 572 N GLN A 36 18.657 25.164 -1.785 1.00 3.43 N ATOM 573 CA GLN A 36 18.399 26.452 -2.420 1.00 64.01 C ATOM 574 C GLN A 36 19.685 27.263 -2.547 1.00 72.43 C ATOM 575 O GLN A 36 20.785 26.718 -2.468 1.00 72.33 O ATOM 576 CB GLN A 36 17.361 27.240 -1.620 1.00 73.31 C ATOM 577 CG GLN A 36 16.109 27.577 -2.412 1.00 70.34 C ATOM 578 CD GLN A 36 15.510 26.365 -3.099 1.00 51.32 C ATOM 579 OE1 GLN A 36 15.882 26.027 -4.223 1.00 1.12 O ATOM 580 NE2 GLN A 36 14.575 25.704 -2.427 1.00 21.24 N ATOM 0 H GLN A 36 18.272 24.362 -2.284 1.00 3.43 H new ATOM 0 HA GLN A 36 18.009 26.264 -3.420 1.00 64.01 H new ATOM 0 HB2 GLN A 36 17.079 26.663 -0.739 1.00 73.31 H new ATOM 0 HB3 GLN A 36 17.815 28.165 -1.263 1.00 73.31 H new ATOM 0 HG2 GLN A 36 15.368 28.015 -1.744 1.00 70.34 H new ATOM 0 HG3 GLN A 36 16.349 28.332 -3.160 1.00 70.34 H new ATOM 0 HE21 GLN A 36 14.296 26.019 -1.498 1.00 21.24 H new ATOM 0 HE22 GLN A 36 14.135 24.882 -2.840 1.00 21.24 H new ATOM 589 N ALA A 37 19.536 28.570 -2.744 1.00 24.54 N ATOM 590 CA ALA A 37 20.685 29.456 -2.880 1.00 50.23 C ATOM 591 C ALA A 37 21.364 29.685 -1.533 1.00 43.44 C ATOM 592 O ALA A 37 21.767 30.804 -1.214 1.00 75.00 O ATOM 593 CB ALA A 37 20.258 30.783 -3.491 1.00 22.40 C ATOM 0 H ALA A 37 18.632 29.037 -2.813 1.00 24.54 H new ATOM 0 HA ALA A 37 21.406 28.978 -3.544 1.00 50.23 H new ATOM 0 HB1 ALA A 37 21.126 31.435 -3.587 1.00 22.40 H new ATOM 0 HB2 ALA A 37 19.825 30.608 -4.476 1.00 22.40 H new ATOM 0 HB3 ALA A 37 19.517 31.258 -2.848 1.00 22.40 H new ATOM 599 N SER A 38 21.488 28.620 -0.749 1.00 62.13 N ATOM 600 CA SER A 38 22.115 28.706 0.565 1.00 53.31 C ATOM 601 C SER A 38 21.416 29.750 1.431 1.00 5.41 C ATOM 602 O SER A 38 21.754 30.934 1.391 1.00 75.52 O ATOM 603 CB SER A 38 23.598 29.052 0.424 1.00 14.41 C ATOM 604 OG SER A 38 24.353 28.503 1.490 1.00 62.23 O ATOM 0 H SER A 38 21.163 27.687 -1.000 1.00 62.13 H new ATOM 0 HA SER A 38 22.022 27.735 1.051 1.00 53.31 H new ATOM 0 HB2 SER A 38 23.975 28.672 -0.526 1.00 14.41 H new ATOM 0 HB3 SER A 38 23.722 30.135 0.406 1.00 14.41 H new ATOM 0 HG SER A 38 25.298 28.737 1.376 1.00 62.23 H new ATOM 610 N LYS A 39 20.442 29.303 2.215 1.00 74.02 N ATOM 611 CA LYS A 39 19.695 30.196 3.094 1.00 65.00 C ATOM 612 C LYS A 39 20.636 30.955 4.024 1.00 3.33 C ATOM 613 O LYS A 39 20.293 32.023 4.533 1.00 64.22 O ATOM 614 CB LYS A 39 18.678 29.402 3.916 1.00 10.13 C ATOM 615 CG LYS A 39 17.824 28.461 3.084 1.00 12.03 C ATOM 616 CD LYS A 39 17.497 29.060 1.726 1.00 22.35 C ATOM 617 CE LYS A 39 16.184 28.519 1.181 1.00 54.23 C ATOM 618 NZ LYS A 39 16.050 27.054 1.407 1.00 24.52 N ATOM 0 H LYS A 39 20.151 28.327 2.260 1.00 74.02 H new ATOM 0 HA LYS A 39 19.166 30.919 2.473 1.00 65.00 H new ATOM 0 HB2 LYS A 39 19.208 28.824 4.674 1.00 10.13 H new ATOM 0 HB3 LYS A 39 18.027 30.099 4.444 1.00 10.13 H new ATOM 0 HG2 LYS A 39 18.349 27.515 2.949 1.00 12.03 H new ATOM 0 HG3 LYS A 39 16.900 28.239 3.617 1.00 12.03 H new ATOM 0 HD2 LYS A 39 17.438 30.145 1.810 1.00 22.35 H new ATOM 0 HD3 LYS A 39 18.302 28.838 1.026 1.00 22.35 H new ATOM 0 HE2 LYS A 39 15.352 29.037 1.658 1.00 54.23 H new ATOM 0 HE3 LYS A 39 16.120 28.729 0.113 1.00 54.23 H new ATOM 0 HZ1 LYS A 39 15.367 26.659 0.729 1.00 24.52 H new ATOM 0 HZ2 LYS A 39 16.974 26.596 1.273 1.00 24.52 H new ATOM 0 HZ3 LYS A 39 15.715 26.881 2.376 1.00 24.52 H new ATOM 632 N ASP A 40 21.822 30.399 4.242 1.00 63.35 N ATOM 633 CA ASP A 40 22.813 31.025 5.108 1.00 24.55 C ATOM 634 C ASP A 40 23.172 32.419 4.606 1.00 44.52 C ATOM 635 O ASP A 40 23.773 33.216 5.327 1.00 24.54 O ATOM 636 CB ASP A 40 24.072 30.159 5.189 1.00 63.01 C ATOM 637 CG ASP A 40 24.848 30.382 6.472 1.00 34.42 C ATOM 638 OD1 ASP A 40 25.618 31.362 6.537 1.00 52.05 O ATOM 639 OD2 ASP A 40 24.684 29.576 7.412 1.00 63.00 O ATOM 0 H ASP A 40 22.121 29.515 3.830 1.00 63.35 H new ATOM 0 HA ASP A 40 22.380 31.118 6.104 1.00 24.55 H new ATOM 0 HB2 ASP A 40 23.792 29.108 5.116 1.00 63.01 H new ATOM 0 HB3 ASP A 40 24.715 30.378 4.336 1.00 63.01 H new ATOM 644 N PHE A 41 22.800 32.709 3.363 1.00 65.24 N ATOM 645 CA PHE A 41 23.084 34.007 2.762 1.00 21.24 C ATOM 646 C PHE A 41 22.091 35.058 3.245 1.00 14.02 C ATOM 647 O PHE A 41 22.008 36.152 2.688 1.00 2.21 O ATOM 648 CB PHE A 41 23.038 33.907 1.236 1.00 41.22 C ATOM 649 CG PHE A 41 24.361 34.173 0.577 1.00 10.24 C ATOM 650 CD1 PHE A 41 25.177 35.200 1.024 1.00 44.45 C ATOM 651 CD2 PHE A 41 24.789 33.397 -0.488 1.00 52.32 C ATOM 652 CE1 PHE A 41 26.397 35.448 0.420 1.00 74.22 C ATOM 653 CE2 PHE A 41 26.006 33.640 -1.095 1.00 3.33 C ATOM 654 CZ PHE A 41 26.811 34.667 -0.642 1.00 52.13 C ATOM 0 H PHE A 41 22.301 32.062 2.752 1.00 65.24 H new ATOM 0 HA PHE A 41 24.085 34.311 3.069 1.00 21.24 H new ATOM 0 HB2 PHE A 41 22.695 32.911 0.955 1.00 41.22 H new ATOM 0 HB3 PHE A 41 22.303 34.616 0.856 1.00 41.22 H new ATOM 0 HD1 PHE A 41 24.857 35.814 1.853 1.00 44.45 H new ATOM 0 HD2 PHE A 41 24.164 32.593 -0.848 1.00 52.32 H new ATOM 0 HE1 PHE A 41 27.025 36.251 0.778 1.00 74.22 H new ATOM 0 HE2 PHE A 41 26.328 33.027 -1.924 1.00 3.33 H new ATOM 0 HZ PHE A 41 27.762 34.859 -1.117 1.00 52.13 H new ATOM 664 N ASN A 42 21.337 34.718 4.286 1.00 3.41 N ATOM 665 CA ASN A 42 20.347 35.632 4.844 1.00 24.11 C ATOM 666 C ASN A 42 20.900 37.053 4.920 1.00 25.51 C ATOM 667 O ASN A 42 20.205 38.018 4.604 1.00 33.33 O ATOM 668 CB ASN A 42 19.919 35.164 6.237 1.00 15.10 C ATOM 669 CG ASN A 42 19.165 36.237 6.999 1.00 33.34 C ATOM 670 OD1 ASN A 42 19.719 37.286 7.329 1.00 21.33 O ATOM 671 ND2 ASN A 42 17.894 35.977 7.285 1.00 60.43 N ATOM 0 H ASN A 42 21.393 33.816 4.760 1.00 3.41 H new ATOM 0 HA ASN A 42 19.478 35.634 4.185 1.00 24.11 H new ATOM 0 HB2 ASN A 42 19.290 34.279 6.143 1.00 15.10 H new ATOM 0 HB3 ASN A 42 20.801 34.870 6.806 1.00 15.10 H new ATOM 0 HD22 ASN A 42 17.476 35.094 6.992 1.00 60.43 H new ATOM 677 N ARG A 43 22.155 37.171 5.340 1.00 33.23 N ATOM 678 CA ARG A 43 22.801 38.473 5.459 1.00 71.24 C ATOM 679 C ARG A 43 22.310 39.213 6.699 1.00 31.03 C ATOM 680 O ARG A 43 23.101 39.588 7.564 1.00 3.34 O ATOM 681 CB ARG A 43 22.531 39.315 4.210 1.00 4.12 C ATOM 682 CG ARG A 43 23.548 40.423 3.992 1.00 14.44 C ATOM 683 CD ARG A 43 23.176 41.680 4.766 1.00 1.02 C ATOM 684 NE ARG A 43 23.614 42.893 4.082 1.00 60.20 N ATOM 685 CZ ARG A 43 23.320 44.120 4.500 1.00 63.42 C ATOM 686 NH1 ARG A 43 22.592 44.293 5.594 1.00 5.31 N ATOM 687 NH2 ARG A 43 23.756 45.175 3.824 1.00 22.03 N ATOM 0 H ARG A 43 22.745 36.382 5.604 1.00 33.23 H new ATOM 0 HA ARG A 43 23.874 38.310 5.556 1.00 71.24 H new ATOM 0 HB2 ARG A 43 22.524 38.663 3.337 1.00 4.12 H new ATOM 0 HB3 ARG A 43 21.537 39.756 4.287 1.00 4.12 H new ATOM 0 HG2 ARG A 43 24.534 40.080 4.305 1.00 14.44 H new ATOM 0 HG3 ARG A 43 23.613 40.655 2.929 1.00 14.44 H new ATOM 0 HD2 ARG A 43 22.096 41.713 4.906 1.00 1.02 H new ATOM 0 HD3 ARG A 43 23.625 41.641 5.758 1.00 1.02 H new ATOM 0 HE ARG A 43 24.177 42.793 3.237 1.00 60.20 H new ATOM 0 HH11 ARG A 43 22.256 43.484 6.117 1.00 5.31 H new ATOM 0 HH12 ARG A 43 22.367 45.235 5.913 1.00 5.31 H new ATOM 0 HH21 ARG A 43 24.317 45.045 2.982 1.00 22.03 H new ATOM 0 HH22 ARG A 43 23.530 46.116 4.146 1.00 22.03 H new ATOM 701 N SER A 44 20.999 39.419 6.780 1.00 3.31 N ATOM 702 CA SER A 44 20.404 40.119 7.913 1.00 62.34 C ATOM 703 C SER A 44 20.933 39.565 9.232 1.00 43.44 C ATOM 704 O SER A 44 21.175 40.313 10.180 1.00 14.05 O ATOM 705 CB SER A 44 18.880 39.995 7.870 1.00 13.01 C ATOM 706 OG SER A 44 18.385 40.222 6.561 1.00 23.11 O ATOM 0 H SER A 44 20.329 39.111 6.075 1.00 3.31 H new ATOM 0 HA SER A 44 20.679 41.171 7.845 1.00 62.34 H new ATOM 0 HB2 SER A 44 18.583 39.002 8.207 1.00 13.01 H new ATOM 0 HB3 SER A 44 18.434 40.712 8.560 1.00 13.01 H new ATOM 0 HG SER A 44 17.409 40.135 6.561 1.00 23.11 H new ATOM 712 N LYS A 45 21.113 38.250 9.285 1.00 71.35 N ATOM 713 CA LYS A 45 21.616 37.594 10.486 1.00 74.31 C ATOM 714 C LYS A 45 23.064 37.989 10.757 1.00 71.01 C ATOM 715 O LYS A 45 23.478 38.113 11.909 1.00 21.43 O ATOM 716 CB LYS A 45 21.508 36.074 10.345 1.00 3.43 C ATOM 717 CG LYS A 45 20.085 35.579 10.153 1.00 42.40 C ATOM 718 CD LYS A 45 20.057 34.158 9.618 1.00 30.31 C ATOM 719 CE LYS A 45 18.643 33.598 9.600 1.00 51.25 C ATOM 720 NZ LYS A 45 18.079 33.466 10.972 1.00 52.43 N ATOM 0 H LYS A 45 20.918 37.617 8.509 1.00 71.35 H new ATOM 0 HA LYS A 45 21.006 37.919 11.329 1.00 74.31 H new ATOM 0 HB2 LYS A 45 22.113 35.753 9.497 1.00 3.43 H new ATOM 0 HB3 LYS A 45 21.930 35.604 11.234 1.00 3.43 H new ATOM 0 HG2 LYS A 45 19.553 35.622 11.103 1.00 42.40 H new ATOM 0 HG3 LYS A 45 19.559 36.239 9.463 1.00 42.40 H new ATOM 0 HD2 LYS A 45 20.470 34.139 8.609 1.00 30.31 H new ATOM 0 HD3 LYS A 45 20.693 33.523 10.235 1.00 30.31 H new ATOM 0 HE2 LYS A 45 18.002 34.249 9.006 1.00 51.25 H new ATOM 0 HE3 LYS A 45 18.645 32.623 9.113 1.00 51.25 H new ATOM 0 HZ1 LYS A 45 17.246 32.844 10.947 1.00 52.43 H new ATOM 0 HZ2 LYS A 45 18.797 33.058 11.605 1.00 52.43 H new ATOM 0 HZ3 LYS A 45 17.800 34.404 11.324 1.00 52.43 H new ATOM 734 N ALA A 46 23.828 38.188 9.688 1.00 63.05 N ATOM 735 CA ALA A 46 25.228 38.573 9.811 1.00 2.42 C ATOM 736 C ALA A 46 25.534 39.810 8.973 1.00 73.42 C ATOM 737 O ALA A 46 26.064 39.707 7.866 1.00 12.32 O ATOM 738 CB ALA A 46 26.131 37.419 9.400 1.00 72.44 C ATOM 0 H ALA A 46 23.501 38.089 8.727 1.00 63.05 H new ATOM 0 HA ALA A 46 25.421 38.817 10.856 1.00 2.42 H new ATOM 0 HB1 ALA A 46 27.174 37.721 9.497 1.00 72.44 H new ATOM 0 HB2 ALA A 46 25.940 36.561 10.044 1.00 72.44 H new ATOM 0 HB3 ALA A 46 25.926 37.148 8.364 1.00 72.44 H new ATOM 744 N LEU A 47 25.194 40.979 9.506 1.00 75.53 N ATOM 745 CA LEU A 47 25.430 42.237 8.806 1.00 21.23 C ATOM 746 C LEU A 47 26.844 42.284 8.234 1.00 73.31 C ATOM 747 O LEU A 47 27.826 42.176 8.969 1.00 64.14 O ATOM 748 CB LEU A 47 25.211 43.418 9.753 1.00 23.33 C ATOM 749 CG LEU A 47 23.882 43.436 10.509 1.00 45.00 C ATOM 750 CD1 LEU A 47 23.504 44.858 10.891 1.00 5.02 C ATOM 751 CD2 LEU A 47 22.784 42.797 9.671 1.00 72.00 C ATOM 0 H LEU A 47 24.754 41.082 10.421 1.00 75.53 H new ATOM 0 HA LEU A 47 24.721 42.305 7.981 1.00 21.23 H new ATOM 0 HB2 LEU A 47 26.021 43.428 10.482 1.00 23.33 H new ATOM 0 HB3 LEU A 47 25.290 44.340 9.176 1.00 23.33 H new ATOM 0 HG LEU A 47 23.998 42.855 11.424 1.00 45.00 H new ATOM 0 HD11 LEU A 47 22.556 44.851 11.428 1.00 5.02 H new ATOM 0 HD12 LEU A 47 24.279 45.282 11.529 1.00 5.02 H new ATOM 0 HD13 LEU A 47 23.406 45.463 9.990 1.00 5.02 H new ATOM 0 HD21 LEU A 47 21.845 42.818 10.224 1.00 72.00 H new ATOM 0 HD22 LEU A 47 22.669 43.351 8.739 1.00 72.00 H new ATOM 0 HD23 LEU A 47 23.051 41.764 9.449 1.00 72.00 H new ATOM 763 N PHE A 48 26.938 42.447 6.919 1.00 1.31 N ATOM 764 CA PHE A 48 28.232 42.510 6.247 1.00 13.12 C ATOM 765 C PHE A 48 29.158 43.503 6.944 1.00 31.52 C ATOM 766 O PHE A 48 28.751 44.611 7.289 1.00 3.54 O ATOM 767 CB PHE A 48 28.050 42.908 4.782 1.00 45.04 C ATOM 768 CG PHE A 48 27.763 44.369 4.587 1.00 10.23 C ATOM 769 CD1 PHE A 48 26.692 44.970 5.229 1.00 21.53 C ATOM 770 CD2 PHE A 48 28.565 45.143 3.763 1.00 11.22 C ATOM 771 CE1 PHE A 48 26.426 46.314 5.052 1.00 33.41 C ATOM 772 CE2 PHE A 48 28.303 46.487 3.582 1.00 14.43 C ATOM 773 CZ PHE A 48 27.233 47.074 4.229 1.00 32.22 C ATOM 0 H PHE A 48 26.135 42.538 6.297 1.00 1.31 H new ATOM 0 HA PHE A 48 28.687 41.521 6.294 1.00 13.12 H new ATOM 0 HB2 PHE A 48 28.952 42.646 4.228 1.00 45.04 H new ATOM 0 HB3 PHE A 48 27.234 42.326 4.355 1.00 45.04 H new ATOM 0 HD1 PHE A 48 26.058 44.381 5.875 1.00 21.53 H new ATOM 0 HD2 PHE A 48 29.404 44.690 3.257 1.00 11.22 H new ATOM 0 HE1 PHE A 48 25.587 46.770 5.557 1.00 33.41 H new ATOM 0 HE2 PHE A 48 28.934 47.078 2.935 1.00 14.43 H new ATOM 0 HZ PHE A 48 27.028 48.125 4.091 1.00 32.22 H new ATOM 783 N SER A 49 30.407 43.094 7.148 1.00 72.21 N ATOM 784 CA SER A 49 31.391 43.944 7.808 1.00 22.31 C ATOM 785 C SER A 49 32.347 44.559 6.790 1.00 71.55 C ATOM 786 O SER A 49 33.108 45.471 7.110 1.00 30.32 O ATOM 787 CB SER A 49 32.179 43.139 8.844 1.00 51.03 C ATOM 788 OG SER A 49 32.477 41.841 8.361 1.00 30.22 O ATOM 0 H SER A 49 30.761 42.180 6.866 1.00 72.21 H new ATOM 0 HA SER A 49 30.858 44.750 8.313 1.00 22.31 H new ATOM 0 HB2 SER A 49 33.104 43.661 9.088 1.00 51.03 H new ATOM 0 HB3 SER A 49 31.603 43.064 9.766 1.00 51.03 H new ATOM 0 HG SER A 49 32.982 41.347 9.040 1.00 30.22 H new ATOM 794 N GLN A 50 32.300 44.051 5.562 1.00 31.34 N ATOM 795 CA GLN A 50 33.162 44.549 4.497 1.00 32.24 C ATOM 796 C GLN A 50 32.940 43.768 3.207 1.00 5.00 C ATOM 797 O GLN A 50 32.999 44.327 2.112 1.00 41.13 O ATOM 798 CB GLN A 50 34.631 44.458 4.916 1.00 51.12 C ATOM 799 CG GLN A 50 35.351 45.797 4.904 1.00 43.21 C ATOM 800 CD GLN A 50 35.762 46.226 3.508 1.00 25.45 C ATOM 801 OE1 GLN A 50 36.886 45.971 3.075 1.00 71.54 O ATOM 802 NE2 GLN A 50 34.852 46.880 2.797 1.00 70.20 N ATOM 0 H GLN A 50 31.675 43.296 5.281 1.00 31.34 H new ATOM 0 HA GLN A 50 32.907 45.593 4.316 1.00 32.24 H new ATOM 0 HB2 GLN A 50 34.689 44.033 5.918 1.00 51.12 H new ATOM 0 HB3 GLN A 50 35.149 43.770 4.248 1.00 51.12 H new ATOM 0 HG2 GLN A 50 34.702 46.558 5.338 1.00 43.21 H new ATOM 0 HG3 GLN A 50 36.237 45.735 5.536 1.00 43.21 H new ATOM 0 HE21 GLN A 50 33.933 47.070 3.196 1.00 70.20 H new ATOM 0 HE22 GLN A 50 35.072 47.193 1.851 1.00 70.20 H new ATOM 811 N SER A 51 32.685 42.470 3.343 1.00 51.32 N ATOM 812 CA SER A 51 32.458 41.610 2.188 1.00 42.34 C ATOM 813 C SER A 51 31.968 40.233 2.623 1.00 71.41 C ATOM 814 O SER A 51 32.217 39.232 1.952 1.00 71.11 O ATOM 815 CB SER A 51 33.744 41.471 1.369 1.00 54.02 C ATOM 816 OG SER A 51 33.524 41.818 0.013 1.00 51.43 O ATOM 0 H SER A 51 32.631 41.991 4.242 1.00 51.32 H new ATOM 0 HA SER A 51 31.688 42.071 1.569 1.00 42.34 H new ATOM 0 HB2 SER A 51 34.519 42.112 1.791 1.00 54.02 H new ATOM 0 HB3 SER A 51 34.109 40.446 1.431 1.00 54.02 H new ATOM 0 HG SER A 51 34.360 41.723 -0.489 1.00 51.43 H new ATOM 822 N ALA A 52 31.270 40.190 3.753 1.00 73.12 N ATOM 823 CA ALA A 52 30.743 38.937 4.279 1.00 13.20 C ATOM 824 C ALA A 52 29.609 38.410 3.406 1.00 23.40 C ATOM 825 O ALA A 52 29.584 37.230 3.050 1.00 2.34 O ATOM 826 CB ALA A 52 30.264 39.125 5.711 1.00 3.53 C ATOM 0 H ALA A 52 31.056 41.009 4.322 1.00 73.12 H new ATOM 0 HA ALA A 52 31.547 38.201 4.270 1.00 13.20 H new ATOM 0 HB1 ALA A 52 29.873 38.181 6.091 1.00 3.53 H new ATOM 0 HB2 ALA A 52 31.098 39.449 6.334 1.00 3.53 H new ATOM 0 HB3 ALA A 52 29.478 39.879 5.736 1.00 3.53 H new ATOM 832 N ILE A 53 28.674 39.289 3.064 1.00 75.33 N ATOM 833 CA ILE A 53 27.537 38.910 2.232 1.00 4.43 C ATOM 834 C ILE A 53 27.035 40.097 1.416 1.00 64.43 C ATOM 835 O ILE A 53 27.054 41.235 1.881 1.00 42.20 O ATOM 836 CB ILE A 53 26.378 38.357 3.081 1.00 44.12 C ATOM 837 CG1 ILE A 53 26.735 36.974 3.630 1.00 75.32 C ATOM 838 CG2 ILE A 53 25.101 38.292 2.255 1.00 23.05 C ATOM 839 CD1 ILE A 53 25.642 36.361 4.480 1.00 41.42 C ATOM 0 H ILE A 53 28.680 40.268 3.349 1.00 75.33 H new ATOM 0 HA ILE A 53 27.885 38.129 1.556 1.00 4.43 H new ATOM 0 HB ILE A 53 26.209 39.029 3.922 1.00 44.12 H new ATOM 0 HG12 ILE A 53 26.954 36.306 2.797 1.00 75.32 H new ATOM 0 HG13 ILE A 53 27.646 37.052 4.224 1.00 75.32 H new ATOM 0 HG21 ILE A 53 24.290 37.899 2.869 1.00 23.05 H new ATOM 0 HG22 ILE A 53 24.841 39.292 1.907 1.00 23.05 H new ATOM 0 HG23 ILE A 53 25.256 37.638 1.397 1.00 23.05 H new ATOM 0 HD11 ILE A 53 25.963 35.382 4.835 1.00 41.42 H new ATOM 0 HD12 ILE A 53 25.439 37.008 5.333 1.00 41.42 H new ATOM 0 HD13 ILE A 53 24.736 36.251 3.884 1.00 41.42 H new ATOM 851 N SER A 54 26.584 39.819 0.196 1.00 35.24 N ATOM 852 CA SER A 54 26.076 40.864 -0.686 1.00 21.04 C ATOM 853 C SER A 54 25.014 40.309 -1.630 1.00 14.34 C ATOM 854 O SER A 54 25.129 39.186 -2.119 1.00 3.43 O ATOM 855 CB SER A 54 27.221 41.478 -1.494 1.00 11.23 C ATOM 856 OG SER A 54 27.352 42.863 -1.221 1.00 1.55 O ATOM 0 H SER A 54 26.560 38.881 -0.203 1.00 35.24 H new ATOM 0 HA SER A 54 25.620 41.637 -0.068 1.00 21.04 H new ATOM 0 HB2 SER A 54 28.154 40.967 -1.255 1.00 11.23 H new ATOM 0 HB3 SER A 54 27.040 41.329 -2.559 1.00 11.23 H new ATOM 0 HG SER A 54 28.091 43.232 -1.748 1.00 1.55 H new ATOM 862 N GLN A 55 23.980 41.106 -1.880 1.00 63.21 N ATOM 863 CA GLN A 55 22.896 40.694 -2.765 1.00 33.05 C ATOM 864 C GLN A 55 23.439 40.230 -4.111 1.00 41.03 C ATOM 865 O GLN A 55 22.786 39.472 -4.830 1.00 13.22 O ATOM 866 CB GLN A 55 21.909 41.846 -2.967 1.00 5.34 C ATOM 867 CG GLN A 55 22.532 43.071 -3.617 1.00 52.12 C ATOM 868 CD GLN A 55 21.515 44.157 -3.909 1.00 35.41 C ATOM 869 OE1 GLN A 55 21.576 45.249 -3.342 1.00 31.42 O ATOM 870 NE2 GLN A 55 20.571 43.863 -4.795 1.00 4.12 N ATOM 0 H GLN A 55 23.870 42.039 -1.483 1.00 63.21 H new ATOM 0 HA GLN A 55 22.376 39.858 -2.297 1.00 33.05 H new ATOM 0 HB2 GLN A 55 21.080 41.500 -3.584 1.00 5.34 H new ATOM 0 HB3 GLN A 55 21.491 42.130 -2.001 1.00 5.34 H new ATOM 0 HG2 GLN A 55 23.307 43.470 -2.963 1.00 52.12 H new ATOM 0 HG3 GLN A 55 23.020 42.776 -4.546 1.00 52.12 H new ATOM 0 HE21 GLN A 55 20.558 42.946 -5.241 1.00 4.12 H new ATOM 0 HE22 GLN A 55 19.859 44.554 -5.030 1.00 4.12 H new ATOM 879 N LYS A 56 24.638 40.691 -4.451 1.00 25.33 N ATOM 880 CA LYS A 56 25.272 40.323 -5.712 1.00 21.34 C ATOM 881 C LYS A 56 25.401 38.808 -5.834 1.00 1.21 C ATOM 882 O LYS A 56 25.567 38.278 -6.932 1.00 32.23 O ATOM 883 CB LYS A 56 26.652 40.974 -5.822 1.00 1.24 C ATOM 884 CG LYS A 56 26.644 42.467 -5.541 1.00 41.45 C ATOM 885 CD LYS A 56 27.790 43.173 -6.247 1.00 41.41 C ATOM 886 CE LYS A 56 28.425 44.231 -5.357 1.00 44.04 C ATOM 887 NZ LYS A 56 29.469 45.009 -6.081 1.00 51.22 N ATOM 0 H LYS A 56 25.191 41.321 -3.870 1.00 25.33 H new ATOM 0 HA LYS A 56 24.642 40.683 -6.525 1.00 21.34 H new ATOM 0 HB2 LYS A 56 27.332 40.485 -5.124 1.00 1.24 H new ATOM 0 HB3 LYS A 56 27.046 40.803 -6.824 1.00 1.24 H new ATOM 0 HG2 LYS A 56 25.696 42.895 -5.867 1.00 41.45 H new ATOM 0 HG3 LYS A 56 26.717 42.636 -4.467 1.00 41.45 H new ATOM 0 HD2 LYS A 56 28.544 42.442 -6.540 1.00 41.41 H new ATOM 0 HD3 LYS A 56 27.424 43.638 -7.162 1.00 41.41 H new ATOM 0 HE2 LYS A 56 27.654 44.909 -4.992 1.00 44.04 H new ATOM 0 HE3 LYS A 56 28.868 43.753 -4.484 1.00 44.04 H new ATOM 0 HZ1 LYS A 56 29.878 45.720 -5.441 1.00 51.22 H new ATOM 0 HZ2 LYS A 56 30.218 44.365 -6.408 1.00 51.22 H new ATOM 0 HZ3 LYS A 56 29.041 45.486 -6.900 1.00 51.22 H new ATOM 901 N GLU A 57 25.325 38.119 -4.701 1.00 21.55 N ATOM 902 CA GLU A 57 25.433 36.664 -4.683 1.00 4.23 C ATOM 903 C GLU A 57 24.163 36.030 -4.122 1.00 1.53 C ATOM 904 O GLU A 57 23.845 34.881 -4.424 1.00 74.30 O ATOM 905 CB GLU A 57 26.643 36.231 -3.851 1.00 51.23 C ATOM 906 CG GLU A 57 27.977 36.524 -4.517 1.00 54.15 C ATOM 907 CD GLU A 57 29.155 36.287 -3.594 1.00 61.41 C ATOM 908 OE1 GLU A 57 29.437 37.164 -2.752 1.00 50.22 O ATOM 909 OE2 GLU A 57 29.796 35.221 -3.714 1.00 12.11 O ATOM 0 H GLU A 57 25.189 38.544 -3.784 1.00 21.55 H new ATOM 0 HA GLU A 57 25.565 36.322 -5.710 1.00 4.23 H new ATOM 0 HB2 GLU A 57 26.609 36.737 -2.886 1.00 51.23 H new ATOM 0 HB3 GLU A 57 26.573 35.161 -3.653 1.00 51.23 H new ATOM 0 HG2 GLU A 57 28.082 35.897 -5.402 1.00 54.15 H new ATOM 0 HG3 GLU A 57 27.989 37.560 -4.857 1.00 54.15 H new ATOM 916 N TYR A 58 23.443 36.790 -3.303 1.00 23.31 N ATOM 917 CA TYR A 58 22.210 36.302 -2.697 1.00 34.01 C ATOM 918 C TYR A 58 21.010 37.118 -3.171 1.00 22.11 C ATOM 919 O TYR A 58 21.089 38.338 -3.303 1.00 11.53 O ATOM 920 CB TYR A 58 22.308 36.360 -1.171 1.00 45.33 C ATOM 921 CG TYR A 58 21.818 37.662 -0.582 1.00 74.21 C ATOM 922 CD1 TYR A 58 20.464 37.881 -0.360 1.00 21.15 C ATOM 923 CD2 TYR A 58 22.708 38.675 -0.245 1.00 22.31 C ATOM 924 CE1 TYR A 58 20.011 39.070 0.178 1.00 4.00 C ATOM 925 CE2 TYR A 58 22.265 39.866 0.294 1.00 34.45 C ATOM 926 CZ TYR A 58 20.915 40.059 0.504 1.00 1.13 C ATOM 927 OH TYR A 58 20.468 41.245 1.041 1.00 1.13 O ATOM 0 H TYR A 58 23.692 37.745 -3.044 1.00 23.31 H new ATOM 0 HA TYR A 58 22.069 35.266 -3.006 1.00 34.01 H new ATOM 0 HB2 TYR A 58 21.730 35.539 -0.747 1.00 45.33 H new ATOM 0 HB3 TYR A 58 23.346 36.205 -0.876 1.00 45.33 H new ATOM 0 HD1 TYR A 58 19.753 37.108 -0.612 1.00 21.15 H new ATOM 0 HD2 TYR A 58 23.765 38.528 -0.408 1.00 22.31 H new ATOM 0 HE1 TYR A 58 18.955 39.224 0.342 1.00 4.00 H new ATOM 0 HE2 TYR A 58 22.971 40.642 0.550 1.00 34.45 H new ATOM 0 HH TYR A 58 21.232 41.834 1.215 1.00 1.13 H new ATOM 937 N ASP A 59 19.902 36.432 -3.425 1.00 75.13 N ATOM 938 CA ASP A 59 18.684 37.091 -3.882 1.00 50.03 C ATOM 939 C ASP A 59 17.528 36.826 -2.922 1.00 52.13 C ATOM 940 O ASP A 59 17.739 36.460 -1.767 1.00 4.12 O ATOM 941 CB ASP A 59 18.316 36.611 -5.288 1.00 12.23 C ATOM 942 CG ASP A 59 19.537 36.328 -6.140 1.00 20.32 C ATOM 943 OD1 ASP A 59 20.064 37.277 -6.756 1.00 11.14 O ATOM 944 OD2 ASP A 59 19.964 35.156 -6.193 1.00 25.51 O ATOM 0 H ASP A 59 19.822 35.420 -3.322 1.00 75.13 H new ATOM 0 HA ASP A 59 18.870 38.165 -3.909 1.00 50.03 H new ATOM 0 HB2 ASP A 59 17.711 35.707 -5.214 1.00 12.23 H new ATOM 0 HB3 ASP A 59 17.702 37.367 -5.778 1.00 12.23 H new ATOM 949 N SER A 60 16.305 37.015 -3.410 1.00 23.33 N ATOM 950 CA SER A 60 15.116 36.800 -2.593 1.00 61.22 C ATOM 951 C SER A 60 14.579 35.384 -2.777 1.00 4.10 C ATOM 952 O SER A 60 13.759 34.912 -1.990 1.00 1.13 O ATOM 953 CB SER A 60 14.034 37.819 -2.954 1.00 52.24 C ATOM 954 OG SER A 60 14.482 38.702 -3.968 1.00 10.14 O ATOM 0 H SER A 60 16.112 37.316 -4.365 1.00 23.33 H new ATOM 0 HA SER A 60 15.395 36.931 -1.547 1.00 61.22 H new ATOM 0 HB2 SER A 60 13.138 37.298 -3.291 1.00 52.24 H new ATOM 0 HB3 SER A 60 13.757 38.389 -2.067 1.00 52.24 H new ATOM 0 HG SER A 60 13.771 39.342 -4.182 1.00 10.14 H new ATOM 960 N SER A 61 15.048 34.711 -3.823 1.00 31.45 N ATOM 961 CA SER A 61 14.613 33.350 -4.114 1.00 32.12 C ATOM 962 C SER A 61 14.717 32.469 -2.871 1.00 44.43 C ATOM 963 O SER A 61 13.852 31.631 -2.616 1.00 22.41 O ATOM 964 CB SER A 61 15.451 32.755 -5.247 1.00 12.22 C ATOM 965 OG SER A 61 16.449 33.666 -5.675 1.00 61.32 O ATOM 0 H SER A 61 15.729 35.086 -4.483 1.00 31.45 H new ATOM 0 HA SER A 61 13.569 33.387 -4.426 1.00 32.12 H new ATOM 0 HB2 SER A 61 15.919 31.830 -4.911 1.00 12.22 H new ATOM 0 HB3 SER A 61 14.804 32.498 -6.086 1.00 12.22 H new ATOM 0 HG SER A 61 16.972 33.262 -6.398 1.00 61.32 H new ATOM 971 N LEU A 62 15.783 32.666 -2.103 1.00 72.12 N ATOM 972 CA LEU A 62 16.003 31.890 -0.887 1.00 54.42 C ATOM 973 C LEU A 62 14.899 32.152 0.133 1.00 74.24 C ATOM 974 O LEU A 62 14.165 31.241 0.515 1.00 2.23 O ATOM 975 CB LEU A 62 17.364 32.232 -0.280 1.00 23.11 C ATOM 976 CG LEU A 62 17.796 33.695 -0.380 1.00 50.22 C ATOM 977 CD1 LEU A 62 18.412 34.161 0.931 1.00 75.15 C ATOM 978 CD2 LEU A 62 18.777 33.884 -1.528 1.00 11.12 C ATOM 0 H LEU A 62 16.508 33.356 -2.300 1.00 72.12 H new ATOM 0 HA LEU A 62 15.985 30.833 -1.152 1.00 54.42 H new ATOM 0 HB2 LEU A 62 17.351 31.949 0.773 1.00 23.11 H new ATOM 0 HB3 LEU A 62 18.121 31.617 -0.766 1.00 23.11 H new ATOM 0 HG LEU A 62 16.913 34.302 -0.579 1.00 50.22 H new ATOM 0 HD11 LEU A 62 18.713 35.205 0.841 1.00 75.15 H new ATOM 0 HD12 LEU A 62 17.680 34.063 1.732 1.00 75.15 H new ATOM 0 HD13 LEU A 62 19.285 33.550 1.160 1.00 75.15 H new ATOM 0 HD21 LEU A 62 19.074 34.931 -1.584 1.00 11.12 H new ATOM 0 HD22 LEU A 62 19.659 33.266 -1.359 1.00 11.12 H new ATOM 0 HD23 LEU A 62 18.302 33.591 -2.464 1.00 11.12 H new ATOM 990 N ALA A 63 14.786 33.403 0.567 1.00 11.10 N ATOM 991 CA ALA A 63 13.769 33.785 1.539 1.00 10.01 C ATOM 992 C ALA A 63 13.774 32.845 2.738 1.00 24.41 C ATOM 993 O ALA A 63 13.418 31.671 2.622 1.00 33.44 O ATOM 994 CB ALA A 63 12.395 33.803 0.885 1.00 1.53 C ATOM 0 H ALA A 63 15.386 34.169 0.261 1.00 11.10 H new ATOM 0 HA ALA A 63 14.002 34.788 1.897 1.00 10.01 H new ATOM 0 HB1 ALA A 63 11.645 34.090 1.622 1.00 1.53 H new ATOM 0 HB2 ALA A 63 12.392 34.521 0.065 1.00 1.53 H new ATOM 0 HB3 ALA A 63 12.163 32.811 0.499 1.00 1.53 H new ATOM 1000 N THR A 64 14.182 33.364 3.892 1.00 10.21 N ATOM 1001 CA THR A 64 14.235 32.570 5.112 1.00 1.41 C ATOM 1002 C THR A 64 14.986 31.263 4.886 1.00 43.24 C ATOM 1003 O THR A 64 15.665 31.093 3.872 1.00 50.03 O ATOM 1004 CB THR A 64 12.822 32.253 5.638 1.00 4.15 C ATOM 1005 OG1 THR A 64 12.227 31.219 4.848 1.00 21.11 O ATOM 1006 CG2 THR A 64 11.942 33.493 5.607 1.00 0.23 C ATOM 0 H THR A 64 14.481 34.332 4.007 1.00 10.21 H new ATOM 0 HA THR A 64 14.766 33.167 5.854 1.00 1.41 H new ATOM 0 HB THR A 64 12.909 31.916 6.671 1.00 4.15 H new ATOM 0 HG1 THR A 64 12.455 31.356 3.905 1.00 21.11 H new ATOM 0 HG21 THR A 64 10.950 33.244 5.983 1.00 0.23 H new ATOM 0 HG22 THR A 64 12.384 34.268 6.233 1.00 0.23 H new ATOM 0 HG23 THR A 64 11.861 33.856 4.583 1.00 0.23 H new ATOM 1014 N LEU A 65 14.861 30.342 5.834 1.00 13.42 N ATOM 1015 CA LEU A 65 15.528 29.048 5.737 1.00 31.04 C ATOM 1016 C LEU A 65 14.706 28.073 4.902 1.00 22.22 C ATOM 1017 O LEU A 65 15.195 27.017 4.502 1.00 3.10 O ATOM 1018 CB LEU A 65 15.765 28.469 7.132 1.00 31.35 C ATOM 1019 CG LEU A 65 15.621 29.447 8.299 1.00 3.21 C ATOM 1020 CD1 LEU A 65 14.183 29.482 8.792 1.00 24.33 C ATOM 1021 CD2 LEU A 65 16.566 29.070 9.431 1.00 64.14 C ATOM 0 H LEU A 65 14.304 30.467 6.679 1.00 13.42 H new ATOM 0 HA LEU A 65 16.489 29.198 5.245 1.00 31.04 H new ATOM 0 HB2 LEU A 65 15.067 27.646 7.285 1.00 31.35 H new ATOM 0 HB3 LEU A 65 16.769 28.045 7.162 1.00 31.35 H new ATOM 0 HG LEU A 65 15.887 30.444 7.947 1.00 3.21 H new ATOM 0 HD11 LEU A 65 14.100 30.183 9.622 1.00 24.33 H new ATOM 0 HD12 LEU A 65 13.528 29.801 7.981 1.00 24.33 H new ATOM 0 HD13 LEU A 65 13.889 28.487 9.126 1.00 24.33 H new ATOM 0 HD21 LEU A 65 16.450 29.777 10.253 1.00 64.14 H new ATOM 0 HD22 LEU A 65 16.332 28.065 9.781 1.00 64.14 H new ATOM 0 HD23 LEU A 65 17.594 29.098 9.071 1.00 64.14 H new ATOM 1033 N ASP A 66 13.455 28.435 4.640 1.00 13.44 N ATOM 1034 CA ASP A 66 12.564 27.594 3.849 1.00 24.45 C ATOM 1035 C ASP A 66 12.732 26.123 4.222 1.00 14.15 C ATOM 1036 O ASP A 66 13.552 25.414 3.639 1.00 1.13 O ATOM 1037 CB ASP A 66 12.836 27.787 2.357 1.00 0.24 C ATOM 1038 CG ASP A 66 12.215 29.060 1.816 1.00 60.44 C ATOM 1039 OD1 ASP A 66 11.567 29.784 2.600 1.00 34.42 O ATOM 1040 OD2 ASP A 66 12.377 29.332 0.608 1.00 30.44 O ATOM 0 H ASP A 66 13.035 29.306 4.964 1.00 13.44 H new ATOM 0 HA ASP A 66 11.538 27.891 4.065 1.00 24.45 H new ATOM 0 HB2 ASP A 66 13.912 27.810 2.187 1.00 0.24 H new ATOM 0 HB3 ASP A 66 12.444 26.932 1.806 1.00 0.24 H new ATOM 1045 N HIS A 67 11.950 25.674 5.199 1.00 23.43 N ATOM 1046 CA HIS A 67 12.013 24.288 5.651 1.00 71.42 C ATOM 1047 C HIS A 67 10.772 23.517 5.210 1.00 10.03 C ATOM 1048 O HIS A 67 9.648 24.007 5.328 1.00 64.42 O ATOM 1049 CB HIS A 67 12.148 24.231 7.173 1.00 13.52 C ATOM 1050 CG HIS A 67 13.480 24.701 7.673 1.00 72.41 C ATOM 1051 ND1 HIS A 67 13.731 24.974 9.001 1.00 21.04 N ATOM 1052 CD2 HIS A 67 14.638 24.942 7.015 1.00 23.30 C ATOM 1053 CE1 HIS A 67 14.985 25.366 9.138 1.00 63.52 C ATOM 1054 NE2 HIS A 67 15.558 25.354 7.947 1.00 11.04 N ATOM 0 H HIS A 67 11.266 26.248 5.692 1.00 23.43 H new ATOM 0 HA HIS A 67 12.889 23.823 5.199 1.00 71.42 H new ATOM 0 HB2 HIS A 67 11.364 24.841 7.622 1.00 13.52 H new ATOM 0 HB3 HIS A 67 11.985 23.206 7.506 1.00 13.52 H new ATOM 0 HD1 HIS A 67 13.054 24.887 9.759 1.00 21.04 H new ATOM 0 HD2 HIS A 67 14.807 24.831 5.954 1.00 23.30 H new ATOM 0 HE1 HIS A 67 15.461 25.648 10.065 1.00 63.52 H new ATOM 1062 N THR A 68 10.983 22.307 4.701 1.00 24.33 N ATOM 1063 CA THR A 68 9.884 21.469 4.242 1.00 71.53 C ATOM 1064 C THR A 68 9.715 20.244 5.132 1.00 23.50 C ATOM 1065 O THR A 68 10.614 19.407 5.228 1.00 54.10 O ATOM 1066 CB THR A 68 10.099 21.006 2.788 1.00 14.20 C ATOM 1067 OG1 THR A 68 9.976 22.120 1.897 1.00 44.32 O ATOM 1068 CG2 THR A 68 9.092 19.933 2.406 1.00 65.32 C ATOM 0 H THR A 68 11.906 21.886 4.597 1.00 24.33 H new ATOM 0 HA THR A 68 8.982 22.078 4.293 1.00 71.53 H new ATOM 0 HB THR A 68 11.101 20.585 2.709 1.00 14.20 H new ATOM 0 HG1 THR A 68 9.796 21.795 0.990 1.00 44.32 H new ATOM 0 HG21 THR A 68 9.264 19.623 1.375 1.00 65.32 H new ATOM 0 HG22 THR A 68 9.207 19.074 3.068 1.00 65.32 H new ATOM 0 HG23 THR A 68 8.082 20.332 2.501 1.00 65.32 H new ATOM 1076 N GLU A 69 8.560 20.143 5.782 1.00 51.20 N ATOM 1077 CA GLU A 69 8.276 19.018 6.665 1.00 33.13 C ATOM 1078 C GLU A 69 7.623 17.874 5.897 1.00 65.23 C ATOM 1079 O GLU A 69 6.691 18.085 5.120 1.00 54.54 O ATOM 1080 CB GLU A 69 7.366 19.460 7.814 1.00 0.41 C ATOM 1081 CG GLU A 69 7.770 20.788 8.434 1.00 43.02 C ATOM 1082 CD GLU A 69 6.811 21.241 9.517 1.00 40.31 C ATOM 1083 OE1 GLU A 69 6.083 20.386 10.062 1.00 73.13 O ATOM 1084 OE2 GLU A 69 6.790 22.453 9.821 1.00 70.32 O ATOM 0 H GLU A 69 7.806 20.826 5.714 1.00 51.20 H new ATOM 0 HA GLU A 69 9.222 18.664 7.075 1.00 33.13 H new ATOM 0 HB2 GLU A 69 6.342 19.536 7.447 1.00 0.41 H new ATOM 0 HB3 GLU A 69 7.371 18.691 8.587 1.00 0.41 H new ATOM 0 HG2 GLU A 69 8.772 20.699 8.855 1.00 43.02 H new ATOM 0 HG3 GLU A 69 7.818 21.549 7.655 1.00 43.02 H new ATOM 1091 N ILE A 70 8.118 16.661 6.118 1.00 41.52 N ATOM 1092 CA ILE A 70 7.584 15.483 5.447 1.00 13.00 C ATOM 1093 C ILE A 70 6.348 14.954 6.166 1.00 14.23 C ATOM 1094 O ILE A 70 6.421 14.528 7.320 1.00 63.21 O ATOM 1095 CB ILE A 70 8.633 14.359 5.360 1.00 44.53 C ATOM 1096 CG1 ILE A 70 9.795 14.786 4.461 1.00 52.12 C ATOM 1097 CG2 ILE A 70 7.996 13.079 4.840 1.00 22.11 C ATOM 1098 CD1 ILE A 70 10.899 15.508 5.202 1.00 43.13 C ATOM 0 H ILE A 70 8.889 16.468 6.757 1.00 41.52 H new ATOM 0 HA ILE A 70 7.311 15.792 4.438 1.00 13.00 H new ATOM 0 HB ILE A 70 9.023 14.167 6.360 1.00 44.53 H new ATOM 0 HG12 ILE A 70 10.211 13.903 3.975 1.00 52.12 H new ATOM 0 HG13 ILE A 70 9.414 15.434 3.672 1.00 52.12 H new ATOM 0 HG21 ILE A 70 8.750 12.294 4.784 1.00 22.11 H new ATOM 0 HG22 ILE A 70 7.199 12.769 5.515 1.00 22.11 H new ATOM 0 HG23 ILE A 70 7.582 13.256 3.847 1.00 22.11 H new ATOM 0 HD11 ILE A 70 11.689 15.781 4.502 1.00 43.13 H new ATOM 0 HD12 ILE A 70 10.497 16.409 5.665 1.00 43.13 H new ATOM 0 HD13 ILE A 70 11.307 14.855 5.973 1.00 43.13 H new ATOM 1110 N LYS A 71 5.211 14.983 5.479 1.00 51.25 N ATOM 1111 CA LYS A 71 3.958 14.504 6.050 1.00 41.31 C ATOM 1112 C LYS A 71 3.459 13.268 5.308 1.00 41.20 C ATOM 1113 O LYS A 71 3.672 13.127 4.104 1.00 11.41 O ATOM 1114 CB LYS A 71 2.896 15.605 5.999 1.00 0.41 C ATOM 1115 CG LYS A 71 2.844 16.338 4.669 1.00 22.10 C ATOM 1116 CD LYS A 71 1.897 17.526 4.724 1.00 64.13 C ATOM 1117 CE LYS A 71 2.600 18.775 5.232 1.00 71.32 C ATOM 1118 NZ LYS A 71 2.233 19.083 6.642 1.00 25.34 N ATOM 0 H LYS A 71 5.132 15.334 4.525 1.00 51.25 H new ATOM 0 HA LYS A 71 4.142 14.233 7.090 1.00 41.31 H new ATOM 0 HB2 LYS A 71 1.919 15.166 6.201 1.00 0.41 H new ATOM 0 HB3 LYS A 71 3.092 16.325 6.794 1.00 0.41 H new ATOM 0 HG2 LYS A 71 3.844 16.680 4.402 1.00 22.10 H new ATOM 0 HG3 LYS A 71 2.523 15.651 3.886 1.00 22.10 H new ATOM 0 HD2 LYS A 71 1.490 17.715 3.731 1.00 64.13 H new ATOM 0 HD3 LYS A 71 1.054 17.291 5.374 1.00 64.13 H new ATOM 0 HE2 LYS A 71 3.679 18.640 5.159 1.00 71.32 H new ATOM 0 HE3 LYS A 71 2.341 19.622 4.596 1.00 71.32 H new ATOM 0 HZ1 LYS A 71 3.002 19.621 7.091 1.00 25.34 H new ATOM 0 HZ2 LYS A 71 1.360 19.648 6.658 1.00 25.34 H new ATOM 0 HZ3 LYS A 71 2.081 18.196 7.163 1.00 25.34 H new ATOM 1132 N ALA A 72 2.795 12.376 6.035 1.00 75.14 N ATOM 1133 CA ALA A 72 2.263 11.153 5.445 1.00 12.11 C ATOM 1134 C ALA A 72 1.183 11.466 4.415 1.00 61.32 C ATOM 1135 O ALA A 72 0.401 12.405 4.565 1.00 32.22 O ATOM 1136 CB ALA A 72 1.712 10.240 6.529 1.00 31.42 C ATOM 0 H ALA A 72 2.612 12.477 7.033 1.00 75.14 H new ATOM 0 HA ALA A 72 3.078 10.641 4.934 1.00 12.11 H new ATOM 0 HB1 ALA A 72 1.318 9.331 6.074 1.00 31.42 H new ATOM 0 HB2 ALA A 72 2.509 9.981 7.226 1.00 31.42 H new ATOM 0 HB3 ALA A 72 0.913 10.753 7.065 1.00 31.42 H new ATOM 1142 N PRO A 73 1.137 10.662 3.341 1.00 14.14 N ATOM 1143 CA PRO A 73 0.157 10.834 2.266 1.00 73.23 C ATOM 1144 C PRO A 73 -1.259 10.485 2.710 1.00 70.35 C ATOM 1145 O PRO A 73 -2.230 11.099 2.265 1.00 24.24 O ATOM 1146 CB PRO A 73 0.636 9.856 1.189 1.00 31.05 C ATOM 1147 CG PRO A 73 1.397 8.815 1.936 1.00 71.23 C ATOM 1148 CD PRO A 73 2.039 9.524 3.097 1.00 72.21 C ATOM 0 HA PRO A 73 0.101 11.869 1.928 1.00 73.23 H new ATOM 0 HB2 PRO A 73 -0.204 9.421 0.648 1.00 31.05 H new ATOM 0 HB3 PRO A 73 1.266 10.355 0.453 1.00 31.05 H new ATOM 0 HG2 PRO A 73 0.735 8.021 2.281 1.00 71.23 H new ATOM 0 HG3 PRO A 73 2.149 8.349 1.299 1.00 71.23 H new ATOM 0 HD2 PRO A 73 2.115 8.877 3.971 1.00 72.21 H new ATOM 0 HD3 PRO A 73 3.049 9.856 2.857 1.00 72.21 H new ATOM 1156 N PHE A 74 -1.371 9.495 3.590 1.00 62.32 N ATOM 1157 CA PHE A 74 -2.670 9.064 4.095 1.00 42.11 C ATOM 1158 C PHE A 74 -2.506 8.138 5.296 1.00 12.53 C ATOM 1159 O PHE A 74 -1.489 7.459 5.437 1.00 63.44 O ATOM 1160 CB PHE A 74 -3.458 8.353 2.993 1.00 63.22 C ATOM 1161 CG PHE A 74 -2.586 7.708 1.952 1.00 10.31 C ATOM 1162 CD1 PHE A 74 -1.655 6.747 2.309 1.00 32.10 C ATOM 1163 CD2 PHE A 74 -2.699 8.065 0.619 1.00 64.45 C ATOM 1164 CE1 PHE A 74 -0.851 6.153 1.354 1.00 61.10 C ATOM 1165 CE2 PHE A 74 -1.898 7.475 -0.342 1.00 22.12 C ATOM 1166 CZ PHE A 74 -0.973 6.517 0.026 1.00 33.21 C ATOM 0 H PHE A 74 -0.578 8.976 3.968 1.00 62.32 H new ATOM 0 HA PHE A 74 -3.221 9.949 4.413 1.00 42.11 H new ATOM 0 HB2 PHE A 74 -4.094 7.592 3.445 1.00 63.22 H new ATOM 0 HB3 PHE A 74 -4.118 9.072 2.508 1.00 63.22 H new ATOM 0 HD1 PHE A 74 -1.556 6.458 3.345 1.00 32.10 H new ATOM 0 HD2 PHE A 74 -3.421 8.813 0.326 1.00 64.45 H new ATOM 0 HE1 PHE A 74 -0.128 5.405 1.645 1.00 61.10 H new ATOM 0 HE2 PHE A 74 -1.995 7.763 -1.378 1.00 22.12 H new ATOM 0 HZ PHE A 74 -0.347 6.054 -0.722 1.00 33.21 H new ATOM 1176 N ASP A 75 -3.513 8.120 6.162 1.00 21.35 N ATOM 1177 CA ASP A 75 -3.483 7.278 7.353 1.00 12.52 C ATOM 1178 C ASP A 75 -3.143 5.835 6.990 1.00 55.21 C ATOM 1179 O ASP A 75 -3.535 5.342 5.934 1.00 52.33 O ATOM 1180 CB ASP A 75 -4.830 7.332 8.076 1.00 4.25 C ATOM 1181 CG ASP A 75 -5.884 6.480 7.400 1.00 34.43 C ATOM 1182 OD1 ASP A 75 -6.375 6.883 6.325 1.00 24.32 O ATOM 1183 OD2 ASP A 75 -6.220 5.408 7.947 1.00 33.12 O ATOM 0 H ASP A 75 -4.360 8.679 6.062 1.00 21.35 H new ATOM 0 HA ASP A 75 -2.708 7.659 8.018 1.00 12.52 H new ATOM 0 HB2 ASP A 75 -4.701 6.996 9.105 1.00 4.25 H new ATOM 0 HB3 ASP A 75 -5.175 8.365 8.119 1.00 4.25 H new ATOM 1188 N GLY A 76 -2.413 5.164 7.876 1.00 45.34 N ATOM 1189 CA GLY A 76 -2.032 3.786 7.630 1.00 63.52 C ATOM 1190 C GLY A 76 -0.944 3.308 8.569 1.00 4.34 C ATOM 1191 O GLY A 76 -0.922 3.675 9.745 1.00 64.41 O ATOM 0 H GLY A 76 -2.079 5.550 8.759 1.00 45.34 H new ATOM 0 HA2 GLY A 76 -2.907 3.146 7.738 1.00 63.52 H new ATOM 0 HA3 GLY A 76 -1.689 3.686 6.600 1.00 63.52 H new ATOM 1195 N THR A 77 -0.036 2.486 8.052 1.00 5.22 N ATOM 1196 CA THR A 77 1.060 1.954 8.854 1.00 13.54 C ATOM 1197 C THR A 77 2.403 2.493 8.374 1.00 21.21 C ATOM 1198 O THR A 77 2.632 2.633 7.172 1.00 33.04 O ATOM 1199 CB THR A 77 1.091 0.416 8.813 1.00 65.04 C ATOM 1200 OG1 THR A 77 -0.200 -0.110 9.139 1.00 72.24 O ATOM 1201 CG2 THR A 77 2.127 -0.131 9.784 1.00 75.33 C ATOM 0 H THR A 77 -0.038 2.174 7.081 1.00 5.22 H new ATOM 0 HA THR A 77 0.888 2.278 9.880 1.00 13.54 H new ATOM 0 HB THR A 77 1.364 0.108 7.804 1.00 65.04 H new ATOM 0 HG1 THR A 77 -0.171 -1.089 9.109 1.00 72.24 H new ATOM 0 HG21 THR A 77 2.130 -1.220 9.737 1.00 75.33 H new ATOM 0 HG22 THR A 77 3.113 0.247 9.515 1.00 75.33 H new ATOM 0 HG23 THR A 77 1.880 0.188 10.797 1.00 75.33 H new ATOM 1209 N ILE A 78 3.287 2.791 9.320 1.00 23.02 N ATOM 1210 CA ILE A 78 4.608 3.312 8.993 1.00 43.55 C ATOM 1211 C ILE A 78 5.706 2.359 9.455 1.00 33.00 C ATOM 1212 O ILE A 78 5.667 1.847 10.573 1.00 55.11 O ATOM 1213 CB ILE A 78 4.843 4.694 9.629 1.00 11.11 C ATOM 1214 CG1 ILE A 78 6.184 5.271 9.170 1.00 51.12 C ATOM 1215 CG2 ILE A 78 4.795 4.593 11.147 1.00 65.22 C ATOM 1216 CD1 ILE A 78 6.134 6.754 8.876 1.00 11.34 C ATOM 0 H ILE A 78 3.112 2.681 10.319 1.00 23.02 H new ATOM 0 HA ILE A 78 4.647 3.409 7.908 1.00 43.55 H new ATOM 0 HB ILE A 78 4.050 5.367 9.303 1.00 11.11 H new ATOM 0 HG12 ILE A 78 6.933 5.086 9.940 1.00 51.12 H new ATOM 0 HG13 ILE A 78 6.511 4.742 8.275 1.00 51.12 H new ATOM 0 HG21 ILE A 78 4.963 5.578 11.583 1.00 65.22 H new ATOM 0 HG22 ILE A 78 3.818 4.221 11.456 1.00 65.22 H new ATOM 0 HG23 ILE A 78 5.570 3.907 11.491 1.00 65.22 H new ATOM 0 HD11 ILE A 78 7.119 7.095 8.556 1.00 11.34 H new ATOM 0 HD12 ILE A 78 5.409 6.944 8.084 1.00 11.34 H new ATOM 0 HD13 ILE A 78 5.838 7.293 9.776 1.00 11.34 H new ATOM 1228 N GLY A 79 6.684 2.125 8.586 1.00 3.22 N ATOM 1229 CA GLY A 79 7.780 1.235 8.924 1.00 11.42 C ATOM 1230 C GLY A 79 8.862 1.927 9.729 1.00 51.14 C ATOM 1231 O GLY A 79 8.572 2.771 10.577 1.00 74.42 O ATOM 0 H GLY A 79 6.737 2.536 7.654 1.00 3.22 H new ATOM 0 HA2 GLY A 79 7.394 0.388 9.492 1.00 11.42 H new ATOM 0 HA3 GLY A 79 8.214 0.834 8.008 1.00 11.42 H new ATOM 1235 N ASP A 80 10.114 1.571 9.462 1.00 23.13 N ATOM 1236 CA ASP A 80 11.245 2.163 10.168 1.00 54.25 C ATOM 1237 C ASP A 80 11.901 3.251 9.325 1.00 50.33 C ATOM 1238 O ASP A 80 11.362 3.666 8.299 1.00 22.11 O ATOM 1239 CB ASP A 80 12.271 1.087 10.524 1.00 74.11 C ATOM 1240 CG ASP A 80 12.874 1.295 11.899 1.00 14.45 C ATOM 1241 OD1 ASP A 80 13.333 2.422 12.182 1.00 10.35 O ATOM 1242 OD2 ASP A 80 12.886 0.333 12.694 1.00 32.44 O ATOM 0 H ASP A 80 10.371 0.875 8.762 1.00 23.13 H new ATOM 0 HA ASP A 80 10.872 2.616 11.087 1.00 54.25 H new ATOM 0 HB2 ASP A 80 11.795 0.107 10.484 1.00 74.11 H new ATOM 0 HB3 ASP A 80 13.066 1.086 9.778 1.00 74.11 H new ATOM 1247 N ALA A 81 13.068 3.710 9.765 1.00 51.22 N ATOM 1248 CA ALA A 81 13.799 4.750 9.050 1.00 23.13 C ATOM 1249 C ALA A 81 14.845 4.144 8.120 1.00 2.21 C ATOM 1250 O ALA A 81 15.267 3.001 8.303 1.00 20.03 O ATOM 1251 CB ALA A 81 14.456 5.705 10.035 1.00 1.43 C ATOM 0 H ALA A 81 13.528 3.378 10.613 1.00 51.22 H new ATOM 0 HA ALA A 81 13.087 5.307 8.441 1.00 23.13 H new ATOM 0 HB1 ALA A 81 14.998 6.476 9.488 1.00 1.43 H new ATOM 0 HB2 ALA A 81 13.691 6.171 10.656 1.00 1.43 H new ATOM 0 HB3 ALA A 81 15.151 5.153 10.668 1.00 1.43 H new ATOM 1257 N LEU A 82 15.261 4.916 7.122 1.00 73.41 N ATOM 1258 CA LEU A 82 16.257 4.455 6.162 1.00 45.14 C ATOM 1259 C LEU A 82 17.491 5.352 6.185 1.00 51.42 C ATOM 1260 O LEU A 82 18.623 4.870 6.159 1.00 14.05 O ATOM 1261 CB LEU A 82 15.661 4.424 4.754 1.00 44.24 C ATOM 1262 CG LEU A 82 14.684 3.284 4.463 1.00 23.42 C ATOM 1263 CD1 LEU A 82 14.092 3.430 3.069 1.00 30.34 C ATOM 1264 CD2 LEU A 82 15.377 1.937 4.612 1.00 70.53 C ATOM 0 H LEU A 82 14.924 5.864 6.957 1.00 73.41 H new ATOM 0 HA LEU A 82 16.558 3.446 6.444 1.00 45.14 H new ATOM 0 HB2 LEU A 82 15.148 5.369 4.578 1.00 44.24 H new ATOM 0 HB3 LEU A 82 16.479 4.367 4.036 1.00 44.24 H new ATOM 0 HG LEU A 82 13.871 3.334 5.187 1.00 23.42 H new ATOM 0 HD11 LEU A 82 13.399 2.610 2.880 1.00 30.34 H new ATOM 0 HD12 LEU A 82 13.560 4.378 2.997 1.00 30.34 H new ATOM 0 HD13 LEU A 82 14.892 3.407 2.329 1.00 30.34 H new ATOM 0 HD21 LEU A 82 14.667 1.137 4.401 1.00 70.53 H new ATOM 0 HD22 LEU A 82 16.210 1.877 3.911 1.00 70.53 H new ATOM 0 HD23 LEU A 82 15.751 1.831 5.630 1.00 70.53 H new ATOM 1276 N VAL A 83 17.263 6.662 6.234 1.00 23.33 N ATOM 1277 CA VAL A 83 18.355 7.626 6.264 1.00 40.23 C ATOM 1278 C VAL A 83 18.557 8.185 7.668 1.00 73.43 C ATOM 1279 O VAL A 83 17.895 7.763 8.615 1.00 4.30 O ATOM 1280 CB VAL A 83 18.100 8.793 5.290 1.00 13.24 C ATOM 1281 CG1 VAL A 83 17.749 8.267 3.907 1.00 12.13 C ATOM 1282 CG2 VAL A 83 16.998 9.698 5.821 1.00 62.32 C ATOM 0 H VAL A 83 16.332 7.078 6.254 1.00 23.33 H new ATOM 0 HA VAL A 83 19.255 7.094 5.955 1.00 40.23 H new ATOM 0 HB VAL A 83 19.014 9.381 5.207 1.00 13.24 H new ATOM 0 HG11 VAL A 83 17.572 9.105 3.233 1.00 12.13 H new ATOM 0 HG12 VAL A 83 18.573 7.663 3.527 1.00 12.13 H new ATOM 0 HG13 VAL A 83 16.849 7.655 3.968 1.00 12.13 H new ATOM 0 HG21 VAL A 83 16.831 10.517 5.121 1.00 62.32 H new ATOM 0 HG22 VAL A 83 16.078 9.124 5.934 1.00 62.32 H new ATOM 0 HG23 VAL A 83 17.294 10.103 6.789 1.00 62.32 H new ATOM 1292 N ASN A 84 19.475 9.139 7.793 1.00 72.34 N ATOM 1293 CA ASN A 84 19.763 9.756 9.082 1.00 4.02 C ATOM 1294 C ASN A 84 19.524 11.262 9.031 1.00 63.04 C ATOM 1295 O ASN A 84 19.156 11.806 7.989 1.00 31.11 O ATOM 1296 CB ASN A 84 21.209 9.471 9.495 1.00 1.30 C ATOM 1297 CG ASN A 84 21.418 8.030 9.916 1.00 51.11 C ATOM 1298 OD1 ASN A 84 21.458 7.719 11.106 1.00 34.54 O ATOM 1299 ND2 ASN A 84 21.552 7.141 8.938 1.00 33.21 N ATOM 0 H ASN A 84 20.031 9.501 7.018 1.00 72.34 H new ATOM 0 HA ASN A 84 19.089 9.325 9.822 1.00 4.02 H new ATOM 0 HB2 ASN A 84 21.874 9.703 8.663 1.00 1.30 H new ATOM 0 HB3 ASN A 84 21.485 10.130 10.318 1.00 1.30 H new ATOM 0 HD21 ASN A 84 21.695 6.156 9.160 1.00 33.21 H new ATOM 0 HD22 ASN A 84 21.512 7.444 7.965 1.00 33.21 H new ATOM 1306 N ILE A 85 19.738 11.929 10.160 1.00 61.22 N ATOM 1307 CA ILE A 85 19.548 13.371 10.242 1.00 75.25 C ATOM 1308 C ILE A 85 20.830 14.116 9.887 1.00 42.33 C ATOM 1309 O ILE A 85 21.932 13.633 10.143 1.00 15.42 O ATOM 1310 CB ILE A 85 19.091 13.800 11.648 1.00 33.34 C ATOM 1311 CG1 ILE A 85 17.717 13.205 11.965 1.00 3.04 C ATOM 1312 CG2 ILE A 85 19.054 15.317 11.755 1.00 62.02 C ATOM 1313 CD1 ILE A 85 17.185 13.604 13.324 1.00 14.22 C ATOM 0 H ILE A 85 20.043 11.493 11.030 1.00 61.22 H new ATOM 0 HA ILE A 85 18.771 13.628 9.522 1.00 75.25 H new ATOM 0 HB ILE A 85 19.808 13.422 12.377 1.00 33.34 H new ATOM 0 HG12 ILE A 85 17.008 13.520 11.199 1.00 3.04 H new ATOM 0 HG13 ILE A 85 17.780 12.118 11.913 1.00 3.04 H new ATOM 0 HG21 ILE A 85 18.729 15.603 12.755 1.00 62.02 H new ATOM 0 HG22 ILE A 85 20.050 15.719 11.568 1.00 62.02 H new ATOM 0 HG23 ILE A 85 18.357 15.717 11.019 1.00 62.02 H new ATOM 0 HD11 ILE A 85 16.208 13.146 13.481 1.00 14.22 H new ATOM 0 HD12 ILE A 85 17.873 13.265 14.098 1.00 14.22 H new ATOM 0 HD13 ILE A 85 17.090 14.689 13.373 1.00 14.22 H new ATOM 1325 N GLY A 86 20.678 15.298 9.297 1.00 60.51 N ATOM 1326 CA GLY A 86 21.832 16.092 8.918 1.00 52.42 C ATOM 1327 C GLY A 86 22.533 15.547 7.689 1.00 10.43 C ATOM 1328 O GLY A 86 23.670 15.919 7.399 1.00 42.35 O ATOM 0 H GLY A 86 19.776 15.720 9.075 1.00 60.51 H new ATOM 0 HA2 GLY A 86 21.517 17.118 8.728 1.00 52.42 H new ATOM 0 HA3 GLY A 86 22.536 16.124 9.750 1.00 52.42 H new ATOM 1332 N ASP A 87 21.856 14.661 6.968 1.00 74.10 N ATOM 1333 CA ASP A 87 22.420 14.063 5.764 1.00 44.21 C ATOM 1334 C ASP A 87 21.677 14.540 4.520 1.00 60.10 C ATOM 1335 O ASP A 87 20.447 14.540 4.481 1.00 73.22 O ATOM 1336 CB ASP A 87 22.365 12.537 5.853 1.00 70.54 C ATOM 1337 CG ASP A 87 23.737 11.901 5.753 1.00 22.14 C ATOM 1338 OD1 ASP A 87 24.340 11.957 4.661 1.00 62.45 O ATOM 1339 OD2 ASP A 87 24.209 11.348 6.768 1.00 71.43 O ATOM 0 H ASP A 87 20.915 14.341 7.197 1.00 74.10 H new ATOM 0 HA ASP A 87 23.461 14.377 5.686 1.00 44.21 H new ATOM 0 HB2 ASP A 87 21.902 12.248 6.796 1.00 70.54 H new ATOM 0 HB3 ASP A 87 21.730 12.152 5.055 1.00 70.54 H new ATOM 1344 N TYR A 88 22.433 14.946 3.506 1.00 55.43 N ATOM 1345 CA TYR A 88 21.846 15.430 2.262 1.00 44.35 C ATOM 1346 C TYR A 88 20.975 14.356 1.617 1.00 32.41 C ATOM 1347 O TYR A 88 21.331 13.178 1.603 1.00 72.44 O ATOM 1348 CB TYR A 88 22.944 15.862 1.289 1.00 0.52 C ATOM 1349 CG TYR A 88 22.418 16.530 0.038 1.00 13.45 C ATOM 1350 CD1 TYR A 88 22.064 15.780 -1.076 1.00 4.44 C ATOM 1351 CD2 TYR A 88 22.276 17.910 -0.028 1.00 53.41 C ATOM 1352 CE1 TYR A 88 21.584 16.385 -2.221 1.00 41.42 C ATOM 1353 CE2 TYR A 88 21.794 18.524 -1.168 1.00 40.22 C ATOM 1354 CZ TYR A 88 21.451 17.757 -2.262 1.00 75.33 C ATOM 1355 OH TYR A 88 20.972 18.365 -3.401 1.00 22.23 O ATOM 0 H TYR A 88 23.453 14.950 3.521 1.00 55.43 H new ATOM 0 HA TYR A 88 21.219 16.290 2.497 1.00 44.35 H new ATOM 0 HB2 TYR A 88 23.621 16.547 1.799 1.00 0.52 H new ATOM 0 HB3 TYR A 88 23.530 14.988 1.005 1.00 0.52 H new ATOM 0 HD1 TYR A 88 22.166 14.705 -1.046 1.00 4.44 H new ATOM 0 HD2 TYR A 88 22.547 18.513 0.826 1.00 53.41 H new ATOM 0 HE1 TYR A 88 21.314 15.787 -3.079 1.00 41.42 H new ATOM 0 HE2 TYR A 88 21.686 19.598 -1.202 1.00 40.22 H new ATOM 0 HH TYR A 88 20.939 19.335 -3.265 1.00 22.23 H new ATOM 1365 N VAL A 89 19.831 14.773 1.083 1.00 2.33 N ATOM 1366 CA VAL A 89 18.908 13.848 0.435 1.00 43.31 C ATOM 1367 C VAL A 89 18.295 14.470 -0.815 1.00 14.04 C ATOM 1368 O VAL A 89 18.358 15.684 -1.012 1.00 63.41 O ATOM 1369 CB VAL A 89 17.778 13.421 1.390 1.00 42.41 C ATOM 1370 CG1 VAL A 89 18.213 12.233 2.235 1.00 40.24 C ATOM 1371 CG2 VAL A 89 17.356 14.588 2.271 1.00 23.22 C ATOM 0 H VAL A 89 19.521 15.745 1.086 1.00 2.33 H new ATOM 0 HA VAL A 89 19.487 12.968 0.154 1.00 43.31 H new ATOM 0 HB VAL A 89 16.918 13.116 0.794 1.00 42.41 H new ATOM 0 HG11 VAL A 89 17.402 11.946 2.904 1.00 40.24 H new ATOM 0 HG12 VAL A 89 18.461 11.395 1.584 1.00 40.24 H new ATOM 0 HG13 VAL A 89 19.089 12.506 2.824 1.00 40.24 H new ATOM 0 HG21 VAL A 89 16.557 14.269 2.940 1.00 23.22 H new ATOM 0 HG22 VAL A 89 18.209 14.926 2.860 1.00 23.22 H new ATOM 0 HG23 VAL A 89 17.000 15.406 1.645 1.00 23.22 H new ATOM 1381 N SER A 90 17.701 13.630 -1.657 1.00 13.02 N ATOM 1382 CA SER A 90 17.078 14.097 -2.889 1.00 43.44 C ATOM 1383 C SER A 90 15.693 14.674 -2.615 1.00 11.42 C ATOM 1384 O SER A 90 15.309 14.871 -1.462 1.00 72.44 O ATOM 1385 CB SER A 90 16.974 12.952 -3.898 1.00 44.34 C ATOM 1386 OG SER A 90 15.717 12.305 -3.809 1.00 71.00 O ATOM 0 H SER A 90 17.638 12.623 -1.508 1.00 13.02 H new ATOM 0 HA SER A 90 17.704 14.886 -3.306 1.00 43.44 H new ATOM 0 HB2 SER A 90 17.117 13.339 -4.907 1.00 44.34 H new ATOM 0 HB3 SER A 90 17.771 12.231 -3.717 1.00 44.34 H new ATOM 0 HG SER A 90 15.135 12.620 -4.532 1.00 71.00 H new ATOM 1392 N ALA A 91 14.949 14.944 -3.682 1.00 50.32 N ATOM 1393 CA ALA A 91 13.606 15.497 -3.557 1.00 22.21 C ATOM 1394 C ALA A 91 12.578 14.394 -3.325 1.00 13.24 C ATOM 1395 O ALA A 91 12.232 14.086 -2.185 1.00 74.31 O ATOM 1396 CB ALA A 91 13.249 16.302 -4.798 1.00 32.43 C ATOM 0 H ALA A 91 15.253 14.789 -4.643 1.00 50.32 H new ATOM 0 HA ALA A 91 13.591 16.159 -2.691 1.00 22.21 H new ATOM 0 HB1 ALA A 91 12.244 16.709 -4.691 1.00 32.43 H new ATOM 0 HB2 ALA A 91 13.960 17.119 -4.919 1.00 32.43 H new ATOM 0 HB3 ALA A 91 13.287 15.655 -5.675 1.00 32.43 H new ATOM 1402 N SER A 92 12.093 13.805 -4.413 1.00 4.11 N ATOM 1403 CA SER A 92 11.101 12.740 -4.328 1.00 45.13 C ATOM 1404 C SER A 92 11.765 11.370 -4.436 1.00 52.44 C ATOM 1405 O SER A 92 11.100 10.336 -4.351 1.00 44.41 O ATOM 1406 CB SER A 92 10.054 12.901 -5.432 1.00 25.42 C ATOM 1407 OG SER A 92 9.283 11.721 -5.579 1.00 15.14 O ATOM 0 H SER A 92 12.371 14.047 -5.364 1.00 4.11 H new ATOM 0 HA SER A 92 10.609 12.811 -3.358 1.00 45.13 H new ATOM 0 HB2 SER A 92 9.399 13.740 -5.197 1.00 25.42 H new ATOM 0 HB3 SER A 92 10.548 13.136 -6.375 1.00 25.42 H new ATOM 0 HG SER A 92 9.600 11.042 -4.947 1.00 15.14 H new ATOM 1413 N THR A 93 13.081 11.370 -4.625 1.00 33.51 N ATOM 1414 CA THR A 93 13.835 10.128 -4.745 1.00 44.44 C ATOM 1415 C THR A 93 14.424 9.711 -3.403 1.00 64.02 C ATOM 1416 O THR A 93 14.984 8.621 -3.271 1.00 54.13 O ATOM 1417 CB THR A 93 14.974 10.261 -5.774 1.00 60.23 C ATOM 1418 OG1 THR A 93 14.473 10.835 -6.988 1.00 14.44 O ATOM 1419 CG2 THR A 93 15.598 8.905 -6.069 1.00 53.43 C ATOM 0 H THR A 93 13.646 12.216 -4.698 1.00 33.51 H new ATOM 0 HA THR A 93 13.135 9.364 -5.084 1.00 44.44 H new ATOM 0 HB THR A 93 15.740 10.912 -5.353 1.00 60.23 H new ATOM 0 HG1 THR A 93 15.203 10.918 -7.636 1.00 14.44 H new ATOM 0 HG21 THR A 93 16.400 9.024 -6.798 1.00 53.43 H new ATOM 0 HG22 THR A 93 16.004 8.483 -5.149 1.00 53.43 H new ATOM 0 HG23 THR A 93 14.838 8.235 -6.471 1.00 53.43 H new ATOM 1427 N THR A 94 14.296 10.583 -2.408 1.00 50.25 N ATOM 1428 CA THR A 94 14.817 10.304 -1.076 1.00 13.33 C ATOM 1429 C THR A 94 13.822 9.491 -0.256 1.00 35.33 C ATOM 1430 O THR A 94 12.853 10.032 0.274 1.00 35.24 O ATOM 1431 CB THR A 94 15.147 11.604 -0.318 1.00 40.23 C ATOM 1432 OG1 THR A 94 15.689 11.296 0.970 1.00 4.02 O ATOM 1433 CG2 THR A 94 13.906 12.468 -0.158 1.00 55.04 C ATOM 0 H THR A 94 13.836 11.489 -2.500 1.00 50.25 H new ATOM 0 HA THR A 94 15.732 9.727 -1.209 1.00 13.33 H new ATOM 0 HB THR A 94 15.884 12.159 -0.899 1.00 40.23 H new ATOM 0 HG1 THR A 94 15.447 12.003 1.604 1.00 4.02 H new ATOM 0 HG21 THR A 94 14.164 13.380 0.380 1.00 55.04 H new ATOM 0 HG22 THR A 94 13.513 12.726 -1.141 1.00 55.04 H new ATOM 0 HG23 THR A 94 13.150 11.918 0.402 1.00 55.04 H new ATOM 1441 N GLU A 95 14.069 8.188 -0.155 1.00 55.45 N ATOM 1442 CA GLU A 95 13.193 7.302 0.601 1.00 63.25 C ATOM 1443 C GLU A 95 13.718 7.098 2.019 1.00 64.14 C ATOM 1444 O GLU A 95 14.666 6.343 2.240 1.00 34.12 O ATOM 1445 CB GLU A 95 13.065 5.950 -0.107 1.00 21.14 C ATOM 1446 CG GLU A 95 14.384 5.416 -0.640 1.00 41.14 C ATOM 1447 CD GLU A 95 14.391 3.905 -0.770 1.00 71.22 C ATOM 1448 OE1 GLU A 95 13.780 3.388 -1.728 1.00 65.03 O ATOM 1449 OE2 GLU A 95 15.008 3.240 0.088 1.00 3.11 O ATOM 0 H GLU A 95 14.868 7.724 -0.587 1.00 55.45 H new ATOM 0 HA GLU A 95 12.210 7.768 0.660 1.00 63.25 H new ATOM 0 HB2 GLU A 95 12.643 5.224 0.588 1.00 21.14 H new ATOM 0 HB3 GLU A 95 12.361 6.047 -0.934 1.00 21.14 H new ATOM 0 HG2 GLU A 95 14.585 5.862 -1.614 1.00 41.14 H new ATOM 0 HG3 GLU A 95 15.191 5.724 0.024 1.00 41.14 H new ATOM 1456 N LEU A 96 13.096 7.777 2.977 1.00 65.21 N ATOM 1457 CA LEU A 96 13.499 7.673 4.374 1.00 23.50 C ATOM 1458 C LEU A 96 12.535 6.785 5.155 1.00 72.22 C ATOM 1459 O LEU A 96 12.879 6.254 6.210 1.00 4.13 O ATOM 1460 CB LEU A 96 13.562 9.061 5.013 1.00 44.32 C ATOM 1461 CG LEU A 96 12.540 10.079 4.507 1.00 13.25 C ATOM 1462 CD1 LEU A 96 12.894 10.538 3.101 1.00 62.51 C ATOM 1463 CD2 LEU A 96 11.138 9.489 4.540 1.00 21.03 C ATOM 0 H LEU A 96 12.310 8.406 2.811 1.00 65.21 H new ATOM 0 HA LEU A 96 14.490 7.220 4.407 1.00 23.50 H new ATOM 0 HB2 LEU A 96 13.432 8.950 6.089 1.00 44.32 H new ATOM 0 HB3 LEU A 96 14.560 9.468 4.853 1.00 44.32 H new ATOM 0 HG LEU A 96 12.563 10.946 5.167 1.00 13.25 H new ATOM 0 HD11 LEU A 96 12.155 11.262 2.758 1.00 62.51 H new ATOM 0 HD12 LEU A 96 13.881 11.001 3.107 1.00 62.51 H new ATOM 0 HD13 LEU A 96 12.900 9.680 2.429 1.00 62.51 H new ATOM 0 HD21 LEU A 96 10.424 10.228 4.176 1.00 21.03 H new ATOM 0 HD22 LEU A 96 11.100 8.604 3.904 1.00 21.03 H new ATOM 0 HD23 LEU A 96 10.884 9.212 5.563 1.00 21.03 H new ATOM 1475 N VAL A 97 11.325 6.627 4.627 1.00 64.05 N ATOM 1476 CA VAL A 97 10.312 5.800 5.272 1.00 52.42 C ATOM 1477 C VAL A 97 9.169 5.484 4.313 1.00 0.01 C ATOM 1478 O VAL A 97 8.790 6.315 3.488 1.00 55.31 O ATOM 1479 CB VAL A 97 9.740 6.490 6.525 1.00 2.41 C ATOM 1480 CG1 VAL A 97 8.885 7.685 6.133 1.00 34.31 C ATOM 1481 CG2 VAL A 97 8.939 5.501 7.358 1.00 23.12 C ATOM 0 H VAL A 97 11.023 7.061 3.755 1.00 64.05 H new ATOM 0 HA VAL A 97 10.801 4.872 5.568 1.00 52.42 H new ATOM 0 HB VAL A 97 10.571 6.852 7.131 1.00 2.41 H new ATOM 0 HG11 VAL A 97 8.490 8.160 7.031 1.00 34.31 H new ATOM 0 HG12 VAL A 97 9.493 8.402 5.581 1.00 34.31 H new ATOM 0 HG13 VAL A 97 8.059 7.351 5.505 1.00 34.31 H new ATOM 0 HG21 VAL A 97 8.542 6.005 8.239 1.00 23.12 H new ATOM 0 HG22 VAL A 97 8.115 5.108 6.763 1.00 23.12 H new ATOM 0 HG23 VAL A 97 9.585 4.680 7.670 1.00 23.12 H new ATOM 1491 N ARG A 98 8.624 4.277 4.428 1.00 4.41 N ATOM 1492 CA ARG A 98 7.525 3.851 3.571 1.00 32.53 C ATOM 1493 C ARG A 98 6.280 3.545 4.397 1.00 74.24 C ATOM 1494 O ARG A 98 6.369 3.235 5.585 1.00 12.12 O ATOM 1495 CB ARG A 98 7.930 2.616 2.763 1.00 10.12 C ATOM 1496 CG ARG A 98 8.086 1.361 3.606 1.00 51.21 C ATOM 1497 CD ARG A 98 9.455 1.298 4.264 1.00 0.43 C ATOM 1498 NE ARG A 98 9.921 -0.076 4.427 1.00 63.21 N ATOM 1499 CZ ARG A 98 10.467 -0.788 3.447 1.00 14.23 C ATOM 1500 NH1 ARG A 98 10.615 -0.258 2.241 1.00 54.30 N ATOM 1501 NH2 ARG A 98 10.868 -2.033 3.673 1.00 34.22 N ATOM 0 H ARG A 98 8.926 3.577 5.106 1.00 4.41 H new ATOM 0 HA ARG A 98 7.294 4.666 2.885 1.00 32.53 H new ATOM 0 HB2 ARG A 98 7.181 2.435 1.992 1.00 10.12 H new ATOM 0 HB3 ARG A 98 8.871 2.819 2.252 1.00 10.12 H new ATOM 0 HG2 ARG A 98 7.311 1.338 4.373 1.00 51.21 H new ATOM 0 HG3 ARG A 98 7.941 0.481 2.980 1.00 51.21 H new ATOM 0 HD2 ARG A 98 10.173 1.855 3.662 1.00 0.43 H new ATOM 0 HD3 ARG A 98 9.411 1.784 5.239 1.00 0.43 H new ATOM 0 HE ARG A 98 9.822 -0.513 5.343 1.00 63.21 H new ATOM 0 HH11 ARG A 98 10.309 0.699 2.063 1.00 54.30 H new ATOM 0 HH12 ARG A 98 11.035 -0.807 1.491 1.00 54.30 H new ATOM 0 HH21 ARG A 98 10.757 -2.444 4.600 1.00 34.22 H new ATOM 0 HH22 ARG A 98 11.287 -2.579 2.920 1.00 34.22 H new ATOM 1515 N VAL A 99 5.116 3.635 3.760 1.00 0.55 N ATOM 1516 CA VAL A 99 3.851 3.368 4.435 1.00 5.15 C ATOM 1517 C VAL A 99 3.204 2.093 3.904 1.00 10.34 C ATOM 1518 O VAL A 99 3.180 1.852 2.697 1.00 72.21 O ATOM 1519 CB VAL A 99 2.867 4.539 4.266 1.00 74.11 C ATOM 1520 CG1 VAL A 99 1.448 4.097 4.597 1.00 4.41 C ATOM 1521 CG2 VAL A 99 3.284 5.716 5.135 1.00 72.40 C ATOM 0 H VAL A 99 5.023 3.891 2.777 1.00 0.55 H new ATOM 0 HA VAL A 99 4.077 3.244 5.494 1.00 5.15 H new ATOM 0 HB VAL A 99 2.888 4.861 3.225 1.00 74.11 H new ATOM 0 HG11 VAL A 99 0.766 4.938 4.472 1.00 4.41 H new ATOM 0 HG12 VAL A 99 1.153 3.289 3.928 1.00 4.41 H new ATOM 0 HG13 VAL A 99 1.407 3.747 5.629 1.00 4.41 H new ATOM 0 HG21 VAL A 99 2.577 6.535 5.003 1.00 72.40 H new ATOM 0 HG22 VAL A 99 3.294 5.410 6.181 1.00 72.40 H new ATOM 0 HG23 VAL A 99 4.281 6.047 4.845 1.00 72.40 H new ATOM 1531 N THR A 100 2.680 1.279 4.816 1.00 51.52 N ATOM 1532 CA THR A 100 2.033 0.028 4.441 1.00 51.04 C ATOM 1533 C THR A 100 0.596 -0.021 4.950 1.00 63.42 C ATOM 1534 O THR A 100 0.183 0.814 5.753 1.00 25.14 O ATOM 1535 CB THR A 100 2.801 -1.189 4.988 1.00 44.31 C ATOM 1536 OG1 THR A 100 2.562 -1.329 6.393 1.00 72.32 O ATOM 1537 CG2 THR A 100 4.295 -1.043 4.736 1.00 2.22 C ATOM 0 H THR A 100 2.691 1.464 5.819 1.00 51.52 H new ATOM 0 HA THR A 100 2.032 -0.013 3.352 1.00 51.04 H new ATOM 0 HB THR A 100 2.445 -2.079 4.469 1.00 44.31 H new ATOM 0 HG1 THR A 100 3.053 -2.106 6.732 1.00 72.32 H new ATOM 0 HG21 THR A 100 4.817 -1.914 5.131 1.00 2.22 H new ATOM 0 HG22 THR A 100 4.477 -0.965 3.664 1.00 2.22 H new ATOM 0 HG23 THR A 100 4.662 -0.144 5.232 1.00 2.22 H new ATOM 1545 N ASN A 101 -0.160 -1.006 4.477 1.00 61.41 N ATOM 1546 CA ASN A 101 -1.551 -1.166 4.885 1.00 12.13 C ATOM 1547 C ASN A 101 -2.360 0.087 4.558 1.00 21.50 C ATOM 1548 O ASN A 101 -2.370 1.050 5.325 1.00 4.43 O ATOM 1549 CB ASN A 101 -1.634 -1.463 6.383 1.00 14.10 C ATOM 1550 CG ASN A 101 -2.102 -2.878 6.667 1.00 13.25 C ATOM 1551 OD1 ASN A 101 -1.398 -3.845 6.379 1.00 2.11 O ATOM 1552 ND2 ASN A 101 -3.296 -3.003 7.234 1.00 72.30 N ATOM 0 H ASN A 101 0.167 -1.706 3.811 1.00 61.41 H new ATOM 0 HA ASN A 101 -1.972 -2.005 4.332 1.00 12.13 H new ATOM 0 HB2 ASN A 101 -0.655 -1.309 6.836 1.00 14.10 H new ATOM 0 HB3 ASN A 101 -2.317 -0.756 6.854 1.00 14.10 H new ATOM 0 HD21 ASN A 101 -3.664 -3.930 7.448 1.00 72.30 H new ATOM 0 HD22 ASN A 101 -3.845 -2.172 7.455 1.00 72.30 H new ATOM 1559 N LEU A 102 -3.039 0.064 3.416 1.00 12.21 N ATOM 1560 CA LEU A 102 -3.852 1.196 2.988 1.00 55.13 C ATOM 1561 C LEU A 102 -5.015 0.733 2.116 1.00 35.04 C ATOM 1562 O LEU A 102 -4.936 -0.303 1.459 1.00 24.32 O ATOM 1563 CB LEU A 102 -2.994 2.204 2.220 1.00 72.43 C ATOM 1564 CG LEU A 102 -2.952 3.622 2.790 1.00 73.15 C ATOM 1565 CD1 LEU A 102 -4.360 4.130 3.061 1.00 12.03 C ATOM 1566 CD2 LEU A 102 -2.115 3.661 4.060 1.00 43.34 C ATOM 0 H LEU A 102 -3.042 -0.726 2.771 1.00 12.21 H new ATOM 0 HA LEU A 102 -4.258 1.677 3.878 1.00 55.13 H new ATOM 0 HB2 LEU A 102 -1.974 1.822 2.174 1.00 72.43 H new ATOM 0 HB3 LEU A 102 -3.361 2.257 1.195 1.00 72.43 H new ATOM 0 HG LEU A 102 -2.488 4.276 2.052 1.00 73.15 H new ATOM 0 HD11 LEU A 102 -4.310 5.141 3.466 1.00 12.03 H new ATOM 0 HD12 LEU A 102 -4.929 4.139 2.131 1.00 12.03 H new ATOM 0 HD13 LEU A 102 -4.851 3.474 3.780 1.00 12.03 H new ATOM 0 HD21 LEU A 102 -2.096 4.678 4.452 1.00 43.34 H new ATOM 0 HD22 LEU A 102 -2.551 2.993 4.803 1.00 43.34 H new ATOM 0 HD23 LEU A 102 -1.098 3.340 3.835 1.00 43.34 H new ATOM 1578 N ASN A 103 -6.093 1.510 2.116 1.00 61.21 N ATOM 1579 CA ASN A 103 -7.272 1.179 1.323 1.00 33.44 C ATOM 1580 C ASN A 103 -6.996 1.361 -0.165 1.00 42.14 C ATOM 1581 O ASN A 103 -6.083 2.081 -0.569 1.00 65.23 O ATOM 1582 CB ASN A 103 -8.456 2.053 1.744 1.00 71.52 C ATOM 1583 CG ASN A 103 -9.299 1.403 2.824 1.00 31.23 C ATOM 1584 OD1 ASN A 103 -10.230 0.652 2.534 1.00 50.33 O ATOM 1585 ND2 ASN A 103 -8.975 1.690 4.080 1.00 30.13 N ATOM 0 H ASN A 103 -6.175 2.372 2.655 1.00 61.21 H new ATOM 0 HA ASN A 103 -7.518 0.132 1.503 1.00 33.44 H new ATOM 0 HB2 ASN A 103 -8.086 3.013 2.104 1.00 71.52 H new ATOM 0 HB3 ASN A 103 -9.080 2.258 0.874 1.00 71.52 H new ATOM 0 HD21 ASN A 103 -9.506 1.282 4.850 1.00 30.13 H new ATOM 0 HD22 ASN A 103 -8.195 2.318 4.275 1.00 30.13 H new ATOM 1592 N PRO A 104 -7.803 0.694 -1.004 1.00 32.22 N ATOM 1593 CA PRO A 104 -7.666 0.766 -2.461 1.00 52.32 C ATOM 1594 C PRO A 104 -8.060 2.132 -3.013 1.00 34.31 C ATOM 1595 O PRO A 104 -9.240 2.400 -3.247 1.00 1.30 O ATOM 1596 CB PRO A 104 -8.631 -0.312 -2.962 1.00 41.25 C ATOM 1597 CG PRO A 104 -9.645 -0.446 -1.880 1.00 32.34 C ATOM 1598 CD PRO A 104 -8.913 -0.183 -0.592 1.00 1.51 C ATOM 0 HA PRO A 104 -6.635 0.616 -2.781 1.00 52.32 H new ATOM 0 HB2 PRO A 104 -9.094 -0.021 -3.905 1.00 41.25 H new ATOM 0 HB3 PRO A 104 -8.114 -1.255 -3.139 1.00 41.25 H new ATOM 0 HG2 PRO A 104 -10.460 0.265 -2.018 1.00 32.34 H new ATOM 0 HG3 PRO A 104 -10.088 -1.442 -1.881 1.00 32.34 H new ATOM 0 HD2 PRO A 104 -9.555 0.301 0.144 1.00 1.51 H new ATOM 0 HD3 PRO A 104 -8.550 -1.106 -0.140 1.00 1.51 H new ATOM 1606 N ILE A 105 -7.068 2.991 -3.219 1.00 43.13 N ATOM 1607 CA ILE A 105 -7.312 4.328 -3.746 1.00 14.11 C ATOM 1608 C ILE A 105 -7.044 4.386 -5.246 1.00 73.20 C ATOM 1609 O ILE A 105 -6.186 3.669 -5.762 1.00 32.42 O ATOM 1610 CB ILE A 105 -6.436 5.379 -3.038 1.00 51.33 C ATOM 1611 CG1 ILE A 105 -6.571 5.249 -1.520 1.00 22.50 C ATOM 1612 CG2 ILE A 105 -6.822 6.780 -3.491 1.00 63.11 C ATOM 1613 CD1 ILE A 105 -7.995 5.381 -1.026 1.00 65.12 C ATOM 0 H ILE A 105 -6.087 2.785 -3.029 1.00 43.13 H new ATOM 0 HA ILE A 105 -8.362 4.555 -3.559 1.00 14.11 H new ATOM 0 HB ILE A 105 -5.394 5.204 -3.307 1.00 51.33 H new ATOM 0 HG12 ILE A 105 -6.176 4.282 -1.210 1.00 22.50 H new ATOM 0 HG13 ILE A 105 -5.957 6.012 -1.042 1.00 22.50 H new ATOM 0 HG21 ILE A 105 -6.195 7.512 -2.983 1.00 63.11 H new ATOM 0 HG22 ILE A 105 -6.680 6.866 -4.568 1.00 63.11 H new ATOM 0 HG23 ILE A 105 -7.868 6.966 -3.247 1.00 63.11 H new ATOM 0 HD11 ILE A 105 -8.015 5.278 0.059 1.00 65.12 H new ATOM 0 HD12 ILE A 105 -8.388 6.359 -1.305 1.00 65.12 H new ATOM 0 HD13 ILE A 105 -8.610 4.601 -1.475 1.00 65.12 H new ATOM 1625 N TYR A 106 -7.783 5.244 -5.940 1.00 42.52 N ATOM 1626 CA TYR A 106 -7.626 5.396 -7.381 1.00 52.23 C ATOM 1627 C TYR A 106 -8.331 6.655 -7.877 1.00 4.34 C ATOM 1628 O TYR A 106 -8.814 6.706 -9.008 1.00 1.55 O ATOM 1629 CB TYR A 106 -8.180 4.170 -8.108 1.00 24.21 C ATOM 1630 CG TYR A 106 -9.475 3.652 -7.523 1.00 11.53 C ATOM 1631 CD1 TYR A 106 -9.471 2.719 -6.493 1.00 41.11 C ATOM 1632 CD2 TYR A 106 -10.702 4.097 -7.998 1.00 64.04 C ATOM 1633 CE1 TYR A 106 -10.652 2.244 -5.955 1.00 42.44 C ATOM 1634 CE2 TYR A 106 -11.887 3.628 -7.466 1.00 42.30 C ATOM 1635 CZ TYR A 106 -11.856 2.702 -6.445 1.00 74.53 C ATOM 1636 OH TYR A 106 -13.035 2.231 -5.913 1.00 70.11 O ATOM 0 H TYR A 106 -8.497 5.845 -5.528 1.00 42.52 H new ATOM 0 HA TYR A 106 -6.561 5.488 -7.596 1.00 52.23 H new ATOM 0 HB2 TYR A 106 -8.340 4.421 -9.157 1.00 24.21 H new ATOM 0 HB3 TYR A 106 -7.435 3.375 -8.081 1.00 24.21 H new ATOM 0 HD1 TYR A 106 -8.529 2.359 -6.106 1.00 41.11 H new ATOM 0 HD2 TYR A 106 -10.730 4.823 -8.797 1.00 64.04 H new ATOM 0 HE1 TYR A 106 -10.632 1.518 -5.155 1.00 42.44 H new ATOM 0 HE2 TYR A 106 -12.832 3.984 -7.847 1.00 42.30 H new ATOM 0 HH TYR A 106 -13.792 2.655 -6.369 1.00 70.11 H new ATOM 1646 N ALA A 107 -8.384 7.671 -7.021 1.00 24.12 N ATOM 1647 CA ALA A 107 -9.026 8.932 -7.370 1.00 63.34 C ATOM 1648 C ALA A 107 -8.872 9.956 -6.251 1.00 63.35 C ATOM 1649 O ALA A 107 -8.237 9.684 -5.233 1.00 4.05 O ATOM 1650 CB ALA A 107 -10.498 8.705 -7.683 1.00 13.22 C ATOM 0 H ALA A 107 -7.990 7.645 -6.081 1.00 24.12 H new ATOM 0 HA ALA A 107 -8.534 9.328 -8.258 1.00 63.34 H new ATOM 0 HB1 ALA A 107 -10.966 9.655 -7.942 1.00 13.22 H new ATOM 0 HB2 ALA A 107 -10.589 8.015 -8.522 1.00 13.22 H new ATOM 0 HB3 ALA A 107 -10.995 8.282 -6.810 1.00 13.22 H new ATOM 1656 N ASP A 108 -9.457 11.132 -6.447 1.00 4.12 N ATOM 1657 CA ASP A 108 -9.384 12.197 -5.453 1.00 72.40 C ATOM 1658 C ASP A 108 -7.941 12.640 -5.235 1.00 53.22 C ATOM 1659 O ASP A 108 -7.003 11.937 -5.606 1.00 24.25 O ATOM 1660 CB ASP A 108 -9.993 11.730 -4.130 1.00 33.21 C ATOM 1661 CG ASP A 108 -10.107 12.853 -3.117 1.00 53.22 C ATOM 1662 OD1 ASP A 108 -11.070 13.642 -3.214 1.00 71.22 O ATOM 1663 OD2 ASP A 108 -9.234 12.943 -2.229 1.00 12.52 O ATOM 0 H ASP A 108 -9.987 11.372 -7.285 1.00 4.12 H new ATOM 0 HA ASP A 108 -9.953 13.048 -5.826 1.00 72.40 H new ATOM 0 HB2 ASP A 108 -10.982 11.311 -4.316 1.00 33.21 H new ATOM 0 HB3 ASP A 108 -9.381 10.930 -3.714 1.00 33.21 H new ATOM 1668 N GLY A 109 -7.772 13.813 -4.632 1.00 73.24 N ATOM 1669 CA GLY A 109 -6.441 14.331 -4.377 1.00 5.32 C ATOM 1670 C GLY A 109 -6.466 15.691 -3.709 1.00 24.21 C ATOM 1671 O GLY A 109 -6.430 15.788 -2.482 1.00 5.52 O ATOM 0 H GLY A 109 -8.533 14.414 -4.316 1.00 73.24 H new ATOM 0 HA2 GLY A 109 -5.896 13.629 -3.745 1.00 5.32 H new ATOM 0 HA3 GLY A 109 -5.896 14.402 -5.318 1.00 5.32 H new ATOM 1675 N SER A 110 -6.526 16.745 -4.517 1.00 32.01 N ATOM 1676 CA SER A 110 -6.551 18.106 -3.997 1.00 3.54 C ATOM 1677 C SER A 110 -7.985 18.574 -3.765 1.00 43.25 C ATOM 1678 O SER A 110 -8.312 19.109 -2.706 1.00 12.42 O ATOM 1679 CB SER A 110 -5.842 19.057 -4.963 1.00 64.03 C ATOM 1680 OG SER A 110 -6.354 18.923 -6.278 1.00 72.01 O ATOM 0 H SER A 110 -6.558 16.682 -5.535 1.00 32.01 H new ATOM 0 HA SER A 110 -6.027 18.113 -3.041 1.00 3.54 H new ATOM 0 HB2 SER A 110 -5.967 20.085 -4.624 1.00 64.03 H new ATOM 0 HB3 SER A 110 -4.772 18.849 -4.963 1.00 64.03 H new ATOM 0 HG SER A 110 -5.886 19.542 -6.876 1.00 72.01 H new ATOM 1686 N HIS A 111 -8.836 18.368 -4.765 1.00 71.02 N ATOM 1687 CA HIS A 111 -10.235 18.769 -4.672 1.00 32.40 C ATOM 1688 C HIS A 111 -10.360 20.282 -4.529 1.00 0.55 C ATOM 1689 O HIS A 111 -9.360 21.001 -4.540 1.00 33.54 O ATOM 1690 CB HIS A 111 -10.907 18.076 -3.486 1.00 33.31 C ATOM 1691 CG HIS A 111 -12.284 17.569 -3.790 1.00 20.21 C ATOM 1692 ND1 HIS A 111 -12.520 16.441 -4.547 1.00 35.22 N ATOM 1693 CD2 HIS A 111 -13.500 18.042 -3.433 1.00 33.11 C ATOM 1694 CE1 HIS A 111 -13.823 16.243 -4.644 1.00 53.50 C ATOM 1695 NE2 HIS A 111 -14.440 17.201 -3.976 1.00 34.15 N ATOM 0 H HIS A 111 -8.581 17.926 -5.648 1.00 71.02 H new ATOM 0 HA HIS A 111 -10.735 18.467 -5.592 1.00 32.40 H new ATOM 0 HB2 HIS A 111 -10.285 17.242 -3.163 1.00 33.31 H new ATOM 0 HB3 HIS A 111 -10.962 18.775 -2.651 1.00 33.31 H new ATOM 0 HD2 HIS A 111 -13.695 18.918 -2.833 1.00 33.11 H new ATOM 0 HE1 HIS A 111 -14.302 15.436 -5.178 1.00 53.50 H new ATOM 0 HE2 HIS A 111 -15.451 17.300 -3.879 1.00 34.15 H new ATOM 1703 N HIS A 112 -11.594 20.760 -4.396 1.00 45.22 N ATOM 1704 CA HIS A 112 -11.847 22.189 -4.251 1.00 72.34 C ATOM 1705 C HIS A 112 -13.063 22.437 -3.363 1.00 0.13 C ATOM 1706 O HIS A 112 -13.846 21.525 -3.096 1.00 74.44 O ATOM 1707 CB HIS A 112 -12.064 22.831 -5.621 1.00 42.45 C ATOM 1708 CG HIS A 112 -13.087 22.127 -6.459 1.00 25.41 C ATOM 1709 ND1 HIS A 112 -14.375 22.592 -6.623 1.00 25.50 N ATOM 1710 CD2 HIS A 112 -13.005 20.986 -7.183 1.00 31.44 C ATOM 1711 CE1 HIS A 112 -15.042 21.766 -7.410 1.00 10.42 C ATOM 1712 NE2 HIS A 112 -14.233 20.783 -7.763 1.00 70.12 N ATOM 0 H HIS A 112 -12.433 20.179 -4.386 1.00 45.22 H new ATOM 0 HA HIS A 112 -10.975 22.642 -3.779 1.00 72.34 H new ATOM 0 HB2 HIS A 112 -12.371 23.868 -5.482 1.00 42.45 H new ATOM 0 HB3 HIS A 112 -11.116 22.849 -6.159 1.00 42.45 H new ATOM 0 HD2 HIS A 112 -12.136 20.353 -7.285 1.00 31.44 H new ATOM 0 HE1 HIS A 112 -16.073 21.876 -7.713 1.00 10.42 H new ATOM 0 HE2 HIS A 112 -14.480 20.000 -8.368 1.00 70.12 H new ATOM 1720 N HIS A 113 -13.214 23.676 -2.906 1.00 51.04 N ATOM 1721 CA HIS A 113 -14.334 24.044 -2.048 1.00 24.45 C ATOM 1722 C HIS A 113 -15.052 25.276 -2.589 1.00 52.24 C ATOM 1723 O HIS A 113 -14.768 25.737 -3.695 1.00 10.43 O ATOM 1724 CB HIS A 113 -13.846 24.309 -0.623 1.00 64.53 C ATOM 1725 CG HIS A 113 -12.902 25.468 -0.519 1.00 73.41 C ATOM 1726 ND1 HIS A 113 -11.531 25.324 -0.528 1.00 14.22 N ATOM 1727 CD2 HIS A 113 -13.141 26.795 -0.404 1.00 62.30 C ATOM 1728 CE1 HIS A 113 -10.966 26.514 -0.422 1.00 53.20 C ATOM 1729 NE2 HIS A 113 -11.921 27.424 -0.345 1.00 23.10 N ATOM 0 H HIS A 113 -12.574 24.442 -3.116 1.00 51.04 H new ATOM 0 HA HIS A 113 -15.038 23.212 -2.035 1.00 24.45 H new ATOM 0 HB2 HIS A 113 -14.707 24.494 0.019 1.00 64.53 H new ATOM 0 HB3 HIS A 113 -13.353 23.414 -0.244 1.00 64.53 H new ATOM 0 HD2 HIS A 113 -14.110 27.271 -0.366 1.00 62.30 H new ATOM 0 HE1 HIS A 113 -9.904 26.710 -0.402 1.00 53.20 H new ATOM 0 HE2 HIS A 113 -11.776 28.430 -0.256 1.00 23.10 H new ATOM 1737 N HIS A 114 -15.985 25.804 -1.803 1.00 54.12 N ATOM 1738 CA HIS A 114 -16.745 26.984 -2.204 1.00 44.22 C ATOM 1739 C HIS A 114 -16.658 28.073 -1.140 1.00 43.40 C ATOM 1740 O HIS A 114 -16.316 27.805 0.012 1.00 30.01 O ATOM 1741 CB HIS A 114 -18.207 26.614 -2.454 1.00 21.32 C ATOM 1742 CG HIS A 114 -18.617 26.727 -3.890 1.00 5.41 C ATOM 1743 ND1 HIS A 114 -18.835 25.632 -4.699 1.00 52.03 N ATOM 1744 CD2 HIS A 114 -18.849 27.815 -4.661 1.00 53.13 C ATOM 1745 CE1 HIS A 114 -19.183 26.043 -5.907 1.00 21.44 C ATOM 1746 NE2 HIS A 114 -19.200 27.363 -5.909 1.00 3.44 N ATOM 0 H HIS A 114 -16.233 25.434 -0.885 1.00 54.12 H new ATOM 0 HA HIS A 114 -16.312 27.368 -3.128 1.00 44.22 H new ATOM 0 HB2 HIS A 114 -18.377 25.592 -2.116 1.00 21.32 H new ATOM 0 HB3 HIS A 114 -18.845 27.260 -1.851 1.00 21.32 H new ATOM 0 HD2 HIS A 114 -18.772 28.847 -4.352 1.00 53.13 H new ATOM 0 HE1 HIS A 114 -19.414 25.407 -6.749 1.00 21.44 H new ATOM 0 HE2 HIS A 114 -19.436 27.952 -6.708 1.00 3.44 H new ATOM 1754 N HIS A 115 -16.969 29.305 -1.534 1.00 71.34 N ATOM 1755 CA HIS A 115 -16.926 30.436 -0.613 1.00 64.41 C ATOM 1756 C HIS A 115 -17.470 31.697 -1.277 1.00 74.24 C ATOM 1757 O HIS A 115 -17.726 31.716 -2.482 1.00 40.41 O ATOM 1758 CB HIS A 115 -15.495 30.675 -0.133 1.00 24.42 C ATOM 1759 CG HIS A 115 -15.344 30.616 1.356 1.00 33.21 C ATOM 1760 ND1 HIS A 115 -15.657 31.672 2.186 1.00 11.22 N ATOM 1761 CD2 HIS A 115 -14.914 29.619 2.164 1.00 1.12 C ATOM 1762 CE1 HIS A 115 -15.424 31.327 3.439 1.00 14.34 C ATOM 1763 NE2 HIS A 115 -14.972 30.087 3.454 1.00 72.53 N ATOM 0 H HIS A 115 -17.253 29.545 -2.484 1.00 71.34 H new ATOM 0 HA HIS A 115 -17.554 30.199 0.246 1.00 64.41 H new ATOM 0 HB2 HIS A 115 -14.840 29.931 -0.586 1.00 24.42 H new ATOM 0 HB3 HIS A 115 -15.161 31.651 -0.485 1.00 24.42 H new ATOM 0 HD2 HIS A 115 -14.586 28.638 1.852 1.00 1.12 H new ATOM 0 HE1 HIS A 115 -15.577 31.954 4.305 1.00 14.34 H new ATOM 0 HE2 HIS A 115 -14.709 29.562 4.288 1.00 72.53 H new ATOM 1771 N HIS A 116 -17.646 32.749 -0.483 1.00 22.32 N ATOM 1772 CA HIS A 116 -18.160 34.014 -0.994 1.00 34.42 C ATOM 1773 C HIS A 116 -17.088 35.098 -0.939 1.00 61.24 C ATOM 1774 O HIS A 116 -15.904 34.770 -0.872 1.00 12.10 O ATOM 1775 CB HIS A 116 -19.386 34.452 -0.191 1.00 13.23 C ATOM 1776 CG HIS A 116 -20.536 34.889 -1.045 1.00 11.52 C ATOM 1777 ND1 HIS A 116 -20.805 36.213 -1.324 1.00 61.15 N ATOM 1778 CD2 HIS A 116 -21.489 34.171 -1.683 1.00 5.41 C ATOM 1779 CE1 HIS A 116 -21.875 36.290 -2.096 1.00 65.54 C ATOM 1780 NE2 HIS A 116 -22.308 35.064 -2.329 1.00 74.55 N ATOM 0 H HIS A 116 -17.440 32.750 0.516 1.00 22.32 H new ATOM 0 HA HIS A 116 -18.450 33.866 -2.034 1.00 34.42 H new ATOM 0 HB2 HIS A 116 -19.708 33.627 0.444 1.00 13.23 H new ATOM 0 HB3 HIS A 116 -19.103 35.271 0.470 1.00 13.23 H new ATOM 0 HD2 HIS A 116 -21.587 33.095 -1.684 1.00 5.41 H new ATOM 0 HE1 HIS A 116 -22.319 37.200 -2.472 1.00 65.54 H new ATOM 0 HE2 HIS A 116 -23.119 34.820 -2.897 1.00 74.55 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 16.930 36.963 7.512 1.00 65.44 C HETATM 1790 N2 B6D A 117 15.865 36.370 5.375 1.00 61.04 N HETATM 1791 C3 B6D A 117 14.586 37.744 7.024 1.00 75.54 C HETATM 1792 C4 B6D A 117 14.356 37.949 8.533 1.00 14.44 C HETATM 1793 C5 B6D A 117 15.686 38.242 9.258 1.00 54.23 C HETATM 1794 C6 B6D A 117 15.567 38.274 10.781 1.00 42.45 C HETATM 1795 C7 B6D A 117 16.454 35.240 4.858 1.00 41.32 C HETATM 1796 C8 B6D A 117 16.739 35.266 3.335 1.00 3.22 C HETATM 1797 C9 B6D A 117 12.582 41.353 8.979 1.00 11.02 C HETATM 1798 C2 B6D A 117 15.610 36.606 6.804 1.00 20.24 C HETATM 1799 O7 B6D A 117 16.725 34.254 5.519 1.00 42.43 O HETATM 1800 N4 B6D A 117 13.405 39.044 8.768 1.00 64.24 N HETATM 1801 C10 B6D A 117 13.683 40.369 8.542 1.00 51.14 C HETATM 1802 O10 B6D A 117 14.707 40.768 8.014 1.00 5.43 O HETATM 1803 O5 B6D A 117 16.660 37.169 8.948 1.00 2.24 O HETATM 1804 O3 B6D A 117 13.300 37.377 6.401 1.00 24.44 O HETATM 0 HN4 B6D A 117 12.479 38.804 9.122 1.00 64.24 H new HETATM 0 HN2 B6D A 117 15.584 37.099 4.719 1.00 61.04 H new HETATM 0 H9B B6D A 117 11.662 41.133 8.438 1.00 11.02 H new HETATM 0 H9A B6D A 117 12.407 41.251 10.050 1.00 11.02 H new HETATM 0 H9 B6D A 117 12.897 42.373 8.758 1.00 11.02 H new HETATM 0 H8B B6D A 117 15.803 35.397 2.792 1.00 3.22 H new HETATM 0 H8A B6D A 117 17.411 36.093 3.105 1.00 3.22 H new HETATM 0 H8 B6D A 117 17.203 34.326 3.036 1.00 3.22 H new HETATM 0 H6B B6D A 117 14.862 39.052 11.075 1.00 42.45 H new HETATM 0 H6A B6D A 117 15.211 37.308 11.139 1.00 42.45 H new HETATM 0 H6 B6D A 117 16.543 38.485 11.218 1.00 42.45 H new HETATM 0 H5 B6D A 117 15.998 39.226 8.908 1.00 54.23 H new HETATM 0 H4 B6D A 117 13.937 37.027 8.935 1.00 14.44 H new HETATM 0 H3 B6D A 117 14.972 38.660 6.577 1.00 75.54 H new HETATM 0 H2 B6D A 117 15.192 35.691 7.223 1.00 20.24 H new HETATM 1821 C1 A2G A 118 12.648 38.450 5.608 1.00 21.32 C HETATM 1822 C2 A2G A 118 11.159 38.111 5.428 1.00 2.31 C HETATM 1823 C3 A2G A 118 11.058 36.759 4.696 1.00 51.13 C HETATM 1824 C4 A2G A 118 11.734 36.854 3.259 1.00 1.43 C HETATM 1825 C5 A2G A 118 13.148 37.383 3.390 1.00 74.42 C HETATM 1826 C6 A2G A 118 13.926 37.607 2.086 1.00 14.21 C HETATM 1827 C7 A2G A 118 9.248 38.760 6.904 1.00 24.25 C HETATM 1828 C8 A2G A 118 8.693 38.717 8.340 1.00 11.32 C HETATM 1829 O A2G A 118 13.239 38.591 4.256 1.00 22.30 O HETATM 1830 O3 A2G A 118 9.697 36.323 4.611 1.00 50.41 O HETATM 1831 O4 A2G A 118 10.959 37.809 2.444 1.00 22.33 O HETATM 1832 O6 A2G A 118 14.886 38.658 2.245 1.00 43.12 O HETATM 1833 O7 A2G A 118 8.625 39.308 6.010 1.00 15.32 O HETATM 1834 N2 A2G A 118 10.455 38.129 6.717 1.00 70.54 N HETATM 0 HO3 A2G A 118 9.657 35.464 4.141 1.00 50.41 H new HETATM 0 HN2 A2G A 118 10.882 37.651 7.511 1.00 70.54 H new HETATM 0 H8B A2G A 118 8.548 37.680 8.643 1.00 11.32 H new HETATM 0 H8A A2G A 118 9.399 39.197 9.017 1.00 11.32 H new HETATM 0 H8 A2G A 118 7.739 39.243 8.377 1.00 11.32 H new HETATM 0 H6 A2G A 118 13.234 37.858 1.282 1.00 14.21 H new HETATM 0 H5 A2G A 118 13.650 36.547 3.877 1.00 74.42 H new HETATM 0 H4 A2G A 118 11.752 35.866 2.798 1.00 1.43 H new HETATM 0 H3 A2G A 118 11.602 36.011 5.272 1.00 51.13 H new HETATM 0 H2 A2G A 118 10.663 38.867 4.819 1.00 2.31 H new HETATM 0 H15 A2G A 118 14.745 39.102 3.107 1.00 43.12 H new HETATM 0 H14 A2G A 118 14.432 36.686 1.795 1.00 14.21 H new HETATM 1848 C1 A2G A 119 10.746 37.411 1.029 1.00 3.31 C HETATM 1849 C2 A2G A 119 10.575 38.673 0.169 1.00 33.04 C HETATM 1850 C3 A2G A 119 9.359 39.457 0.700 1.00 1.24 C HETATM 1851 C4 A2G A 119 8.039 38.579 0.580 1.00 50.24 C HETATM 1852 C5 A2G A 119 8.250 37.237 1.249 1.00 4.33 C HETATM 1853 C6 A2G A 119 7.095 36.230 1.163 1.00 1.01 C HETATM 1854 C7 A2G A 119 12.268 40.112 -0.979 1.00 22.53 C HETATM 1855 C8 A2G A 119 13.608 40.854 -0.821 1.00 53.11 C HETATM 1856 O A2G A 119 9.529 36.584 0.852 1.00 1.45 O HETATM 1857 O3 A2G A 119 9.223 40.712 0.024 1.00 62.42 O HETATM 1858 O4 A2G A 119 7.768 38.342 -0.850 1.00 40.15 O HETATM 1859 O6 A2G A 119 7.205 35.243 2.195 1.00 43.50 O HETATM 1860 O7 A2G A 119 11.665 40.132 -2.040 1.00 33.54 O HETATM 1861 N2 A2G A 119 11.812 39.466 0.145 1.00 0.41 N HETATM 0 HO3 A2G A 119 8.444 41.191 0.377 1.00 62.42 H new HETATM 0 HN2 A2G A 119 12.358 39.540 1.003 1.00 0.41 H new HETATM 0 H8B A2G A 119 13.513 41.616 -0.047 1.00 53.11 H new HETATM 0 H8A A2G A 119 14.386 40.144 -0.538 1.00 53.11 H new HETATM 0 H8 A2G A 119 13.875 41.328 -1.766 1.00 53.11 H new HETATM 0 H6 A2G A 119 7.101 35.745 0.187 1.00 1.01 H new HETATM 0 H5 A2G A 119 8.296 37.523 2.300 1.00 4.33 H new HETATM 0 H4 A2G A 119 7.210 39.101 1.057 1.00 50.24 H new HETATM 0 H3 A2G A 119 9.520 39.675 1.756 1.00 1.24 H new HETATM 0 H2 A2G A 119 10.383 38.407 -0.870 1.00 33.04 H new HETATM 0 H15 A2G A 119 6.459 34.611 2.124 1.00 43.50 H new HETATM 0 H14 A2G A 119 6.143 36.753 1.253 1.00 1.01 H new HETATM 1875 C1 A2G A 120 6.365 38.578 -1.281 1.00 10.35 C HETATM 1876 C2 A2G A 120 6.054 37.694 -2.498 1.00 25.12 C HETATM 1877 C3 A2G A 120 7.036 38.064 -3.626 1.00 32.20 C HETATM 1878 C4 A2G A 120 6.849 39.587 -4.046 1.00 15.34 C HETATM 1879 C5 A2G A 120 6.951 40.473 -2.822 1.00 33.44 C HETATM 1880 C6 A2G A 120 6.721 41.976 -3.033 1.00 14.34 C HETATM 1881 C7 A2G A 120 5.125 35.662 -1.375 1.00 3.15 C HETATM 1882 C8 A2G A 120 5.280 34.140 -1.195 1.00 21.34 C HETATM 1883 O A2G A 120 6.127 39.985 -1.680 1.00 23.01 O HETATM 1884 O3 A2G A 120 6.883 37.187 -4.747 1.00 23.40 O HETATM 1885 O4 A2G A 120 5.502 39.748 -4.620 1.00 53.04 O HETATM 1886 O6 A2G A 120 7.554 42.744 -2.158 1.00 21.44 O HETATM 1887 O7 A2G A 120 4.184 36.255 -0.876 1.00 12.45 O HETATM 1888 N2 A2G A 120 6.093 36.270 -2.139 1.00 73.31 N HETATM 0 HN2 A2G A 120 6.875 35.706 -2.472 1.00 73.31 H new HETATM 0 H8B A2G A 120 5.252 33.654 -2.170 1.00 21.34 H new HETATM 0 H8A A2G A 120 6.233 33.926 -0.710 1.00 21.34 H new HETATM 0 H8 A2G A 120 4.466 33.762 -0.577 1.00 21.34 H new HETATM 0 H6 A2G A 120 5.674 42.218 -2.851 1.00 14.34 H new HETATM 0 H5 A2G A 120 8.009 40.381 -2.576 1.00 33.44 H new HETATM 0 H4 A2G A 120 7.619 39.864 -4.766 1.00 15.34 H new HETATM 0 H3 A2G A 120 8.053 37.941 -3.254 1.00 32.20 H new HETATM 0 H2 A2G A 120 5.040 37.874 -2.854 1.00 25.12 H new HETATM 0 H15 A2G A 120 7.394 43.699 -2.309 1.00 21.44 H new HETATM 0 H14 A2G A 120 6.933 42.239 -4.069 1.00 14.34 H new HETATM 1901 C1 A2G A 121 5.446 40.448 -5.929 1.00 44.52 C HETATM 1902 C2 A2G A 121 4.115 41.207 -6.041 1.00 43.45 C HETATM 1903 C3 A2G A 121 2.967 40.186 -5.926 1.00 63.44 C HETATM 1904 C4 A2G A 121 3.049 39.125 -7.109 1.00 42.34 C HETATM 1905 C5 A2G A 121 4.428 38.503 -7.149 1.00 2.25 C HETATM 1906 C6 A2G A 121 4.708 37.505 -8.281 1.00 35.10 C HETATM 1907 C7 A2G A 121 3.948 43.613 -5.384 1.00 10.41 C HETATM 1908 C8 A2G A 121 3.765 44.588 -4.205 1.00 64.13 C HETATM 1909 O A2G A 121 5.523 39.511 -7.074 1.00 23.01 O HETATM 1910 O3 A2G A 121 1.696 40.844 -5.895 1.00 24.10 O HETATM 1911 O4 A2G A 121 2.827 39.833 -8.384 1.00 33.44 O HETATM 1912 O6 A2G A 121 3.999 36.280 -8.062 1.00 32.11 O HETATM 1913 O7 A2G A 121 3.989 44.025 -6.532 1.00 13.21 O HETATM 1914 N2 A2G A 121 4.035 42.285 -5.047 1.00 21.34 N HETATM 0 HO3 A2G A 121 0.983 40.175 -5.823 1.00 24.10 H new HETATM 0 HN2 A2G A 121 4.045 42.035 -4.058 1.00 21.34 H new HETATM 0 H8B A2G A 121 2.845 44.346 -3.672 1.00 64.13 H new HETATM 0 H8A A2G A 121 4.612 44.499 -3.525 1.00 64.13 H new HETATM 0 H8 A2G A 121 3.708 45.609 -4.583 1.00 64.13 H new HETATM 0 H6 A2G A 121 5.778 37.306 -8.341 1.00 35.10 H new HETATM 0 H5 A2G A 121 4.420 37.902 -6.240 1.00 2.25 H new HETATM 0 H4 A2G A 121 2.300 38.348 -6.954 1.00 42.34 H new HETATM 0 H3 A2G A 121 3.075 39.647 -4.984 1.00 63.44 H new HETATM 0 H2 A2G A 121 4.037 41.703 -7.008 1.00 43.45 H new HETATM 0 H15 A2G A 121 4.188 35.657 -8.794 1.00 32.11 H new HETATM 0 H14 A2G A 121 4.410 37.938 -9.236 1.00 35.10 H new HETATM 1928 C1 A2G A 122 1.907 39.158 -9.336 1.00 22.14 C HETATM 1929 C2 A2G A 122 2.042 39.811 -10.720 1.00 2.25 C HETATM 1930 C3 A2G A 122 1.682 41.304 -10.585 1.00 62.51 C HETATM 1931 C4 A2G A 122 0.179 41.467 -10.092 1.00 13.33 C HETATM 1932 C5 A2G A 122 -0.039 40.662 -8.828 1.00 42.53 C HETATM 1933 C6 A2G A 122 -1.461 40.647 -8.251 1.00 55.33 C HETATM 1934 C7 A2G A 122 4.511 40.204 -10.800 1.00 40.52 C HETATM 1935 C8 A2G A 122 5.838 39.747 -11.433 1.00 42.43 C HETATM 1936 O A2G A 122 0.488 39.272 -8.926 1.00 62.30 O HETATM 1937 O3 A2G A 122 1.912 41.999 -11.815 1.00 2.45 O HETATM 1938 O4 A2G A 122 -0.714 40.933 -11.137 1.00 4.32 O HETATM 1939 O6 A2G A 122 -1.537 39.783 -7.113 1.00 15.31 O HETATM 1940 O7 A2G A 122 4.498 41.047 -9.919 1.00 51.01 O HETATM 1941 N2 A2G A 122 3.382 39.586 -11.280 1.00 63.40 N HETATM 0 HO4 A2G A 122 -0.845 39.972 -10.995 1.00 4.32 H new HETATM 0 HO3 A2G A 122 1.675 42.944 -11.706 1.00 2.45 H new HETATM 0 HN2 A2G A 122 3.478 38.940 -12.063 1.00 63.40 H new HETATM 0 H8B A2G A 122 5.975 38.680 -11.260 1.00 42.43 H new HETATM 0 H8A A2G A 122 5.815 39.940 -12.505 1.00 42.43 H new HETATM 0 H8 A2G A 122 6.664 40.297 -10.983 1.00 42.43 H new HETATM 0 H6 A2G A 122 -2.165 40.314 -9.014 1.00 55.33 H new HETATM 0 H5 A2G A 122 0.551 41.228 -8.107 1.00 42.53 H new HETATM 0 H4 A2G A 122 -0.028 42.519 -9.898 1.00 13.33 H new HETATM 0 H3 A2G A 122 2.332 41.753 -9.834 1.00 62.51 H new HETATM 0 H2 A2G A 122 1.352 39.355 -11.430 1.00 2.25 H new HETATM 0 H15 A2G A 122 -0.823 39.113 -7.162 1.00 15.31 H new HETATM 0 H14 A2G A 122 -1.754 41.658 -7.966 1.00 55.33 H new HETATM 1955 C2 BGC A 123 7.870 35.848 -6.546 1.00 51.41 C HETATM 1956 C3 BGC A 123 8.782 35.827 -7.791 1.00 51.01 C HETATM 1957 C4 BGC A 123 8.789 37.169 -8.548 1.00 24.41 C HETATM 1958 C5 BGC A 123 9.064 38.342 -7.591 1.00 33.30 C HETATM 1959 C6 BGC A 123 9.050 39.732 -8.241 1.00 43.20 C HETATM 1960 C1 BGC A 123 8.003 37.131 -5.699 1.00 21.34 C HETATM 1961 O2 BGC A 123 8.229 34.735 -5.710 1.00 75.10 O HETATM 1962 O3 BGC A 123 8.285 34.812 -8.682 1.00 52.13 O HETATM 1963 O4 BGC A 123 9.845 37.129 -9.525 1.00 51.32 O HETATM 1964 O5 BGC A 123 7.992 38.320 -6.574 1.00 74.05 O HETATM 1965 O6 BGC A 123 10.171 40.480 -7.749 1.00 1.13 O HETATM 0 H6C2 BGC A 123 9.102 39.642 -9.326 1.00 43.20 H new HETATM 0 H6C1 BGC A 123 8.119 40.249 -8.008 1.00 43.20 H new HETATM 0 HD BGC A 123 9.601 37.686 -10.294 1.00 51.32 H new HETATM 0 HC BGC A 123 8.846 34.778 -9.485 1.00 52.13 H new HETATM 0 HB BGC A 123 7.662 34.730 -4.911 1.00 75.10 H new HETATM 0 H6 BGC A 123 10.175 41.371 -8.158 1.00 1.13 H new HETATM 0 H5 BGC A 123 10.070 38.200 -7.197 1.00 33.30 H new HETATM 0 H4 BGC A 123 7.815 37.315 -9.014 1.00 24.41 H new HETATM 0 H3 BGC A 123 9.801 35.631 -7.459 1.00 51.01 H new HETATM 0 H2 BGC A 123 6.842 35.800 -6.905 1.00 51.41 H new