USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=38 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 119 A2G O3 : rot 180:sc= 0 USER MOD Set 1.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 2.1: A 118 A2G O3 : rot 21:sc= 0.56 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot 180:sc= -1.55 USER MOD Set 3.2: A 55 GLN : amide:sc= -0.978 K(o=-2.5,f=-8.4!) USER MOD Set 4.1: A 34 GLN : amide:sc= -3.47! C(o=-3.5!,f=-3.3!) USER MOD Set 4.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 9 SER OG : rot 180:sc= -0.0284 USER MOD Set 5.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.36) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.465 F(o=-4.1!,f=-0.47) USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.293) 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= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 36 GLN : amide:sc= -3.61! C(o=-3.6!,f=-3.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.49 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -64:sc= 0.125 USER MOD Single : A 50 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.82) USER MOD Single : A 51 SER OG : rot 180:sc= 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 -91:sc= 0.786 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 64 THR OG1 : rot -35:sc= 1.03 USER MOD Single : A 67 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.051) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -0.365 (180deg=-1.45!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0924 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 90:sc= -0.496 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.0465 K(o=-0.047,f=-1.3!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.086) 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=-0.084) USER MOD Single : A 116 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.28) USER MOD Single : A 118 A2G O6 : rot 154:sc= 0.436 USER MOD Single : A 121 A2G O3 : rot 180:sc= -0.0217 USER MOD Single : A 121 A2G O6 : rot 0:sc= -0.396 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 122 A2G O6 : rot 180: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 160:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.424 -0.281 0.242 1.00 12.42 N ATOM 2 CA ASP A 1 2.694 -0.395 -0.467 1.00 4.42 C ATOM 3 C ASP A 1 3.081 0.935 -1.107 1.00 22.52 C ATOM 4 O ASP A 1 3.154 1.048 -2.330 1.00 15.35 O ATOM 5 CB ASP A 1 2.608 -1.485 -1.537 1.00 4.20 C ATOM 6 CG ASP A 1 3.976 -1.959 -1.990 1.00 22.14 C ATOM 7 OD1 ASP A 1 4.524 -2.881 -1.353 1.00 61.10 O ATOM 8 OD2 ASP A 1 4.496 -1.406 -2.981 1.00 11.41 O ATOM 0 H1 ASP A 1 1.181 -1.198 0.669 1.00 12.42 H new ATOM 0 H2 ASP A 1 1.507 0.438 0.989 1.00 12.42 H new ATOM 0 H3 ASP A 1 0.677 -0.002 -0.426 1.00 12.42 H new ATOM 0 HA ASP A 1 3.463 -0.666 0.256 1.00 4.42 H new ATOM 0 HB2 ASP A 1 2.044 -2.332 -1.145 1.00 4.20 H new ATOM 0 HB3 ASP A 1 2.055 -1.104 -2.396 1.00 4.20 H new ATOM 13 N VAL A 2 3.327 1.939 -0.271 1.00 40.13 N ATOM 14 CA VAL A 2 3.706 3.261 -0.755 1.00 61.55 C ATOM 15 C VAL A 2 4.909 3.802 0.010 1.00 62.13 C ATOM 16 O VAL A 2 5.067 3.541 1.203 1.00 2.23 O ATOM 17 CB VAL A 2 2.541 4.260 -0.630 1.00 74.10 C ATOM 18 CG1 VAL A 2 2.940 5.618 -1.188 1.00 75.32 C ATOM 19 CG2 VAL A 2 1.304 3.726 -1.338 1.00 2.34 C ATOM 0 H VAL A 2 3.271 1.862 0.745 1.00 40.13 H new ATOM 0 HA VAL A 2 3.968 3.150 -1.807 1.00 61.55 H new ATOM 0 HB VAL A 2 2.303 4.384 0.426 1.00 74.10 H new ATOM 0 HG11 VAL A 2 2.104 6.311 -1.091 1.00 75.32 H new ATOM 0 HG12 VAL A 2 3.796 6.002 -0.633 1.00 75.32 H new ATOM 0 HG13 VAL A 2 3.206 5.515 -2.240 1.00 75.32 H new ATOM 0 HG21 VAL A 2 0.490 4.444 -1.240 1.00 2.34 H new ATOM 0 HG22 VAL A 2 1.527 3.572 -2.394 1.00 2.34 H new ATOM 0 HG23 VAL A 2 1.008 2.778 -0.888 1.00 2.34 H new ATOM 29 N ILE A 3 5.754 4.557 -0.685 1.00 24.24 N ATOM 30 CA ILE A 3 6.942 5.137 -0.069 1.00 72.54 C ATOM 31 C ILE A 3 6.724 6.606 0.271 1.00 15.11 C ATOM 32 O ILE A 3 6.092 7.341 -0.488 1.00 3.44 O ATOM 33 CB ILE A 3 8.170 5.011 -0.990 1.00 74.44 C ATOM 34 CG1 ILE A 3 8.614 3.550 -1.089 1.00 63.23 C ATOM 35 CG2 ILE A 3 9.307 5.882 -0.478 1.00 62.11 C ATOM 36 CD1 ILE A 3 9.663 3.167 -0.068 1.00 73.10 C ATOM 0 H ILE A 3 5.638 4.781 -1.673 1.00 24.24 H new ATOM 0 HA ILE A 3 7.127 4.579 0.849 1.00 72.54 H new ATOM 0 HB ILE A 3 7.895 5.355 -1.987 1.00 74.44 H new ATOM 0 HG12 ILE A 3 7.744 2.905 -0.964 1.00 63.23 H new ATOM 0 HG13 ILE A 3 9.007 3.365 -2.089 1.00 63.23 H new ATOM 0 HG21 ILE A 3 10.168 5.782 -1.139 1.00 62.11 H new ATOM 0 HG22 ILE A 3 8.986 6.923 -0.455 1.00 62.11 H new ATOM 0 HG23 ILE A 3 9.583 5.565 0.528 1.00 62.11 H new ATOM 0 HD11 ILE A 3 9.930 2.118 -0.197 1.00 73.10 H new ATOM 0 HD12 ILE A 3 10.549 3.787 -0.206 1.00 73.10 H new ATOM 0 HD13 ILE A 3 9.267 3.320 0.936 1.00 73.10 H new ATOM 48 N ILE A 4 7.250 7.028 1.416 1.00 51.24 N ATOM 49 CA ILE A 4 7.116 8.411 1.854 1.00 33.22 C ATOM 50 C ILE A 4 8.354 9.225 1.496 1.00 41.43 C ATOM 51 O ILE A 4 9.453 8.950 1.979 1.00 53.12 O ATOM 52 CB ILE A 4 6.880 8.499 3.373 1.00 65.43 C ATOM 53 CG1 ILE A 4 5.611 7.736 3.760 1.00 32.03 C ATOM 54 CG2 ILE A 4 6.784 9.953 3.812 1.00 72.15 C ATOM 55 CD1 ILE A 4 5.401 7.629 5.254 1.00 61.04 C ATOM 0 H ILE A 4 7.773 6.431 2.057 1.00 51.24 H new ATOM 0 HA ILE A 4 6.251 8.823 1.334 1.00 33.22 H new ATOM 0 HB ILE A 4 7.727 8.041 3.883 1.00 65.43 H new ATOM 0 HG12 ILE A 4 4.749 8.232 3.315 1.00 32.03 H new ATOM 0 HG13 ILE A 4 5.656 6.733 3.335 1.00 32.03 H new ATOM 0 HG21 ILE A 4 6.617 9.998 4.888 1.00 72.15 H new ATOM 0 HG22 ILE A 4 7.712 10.469 3.567 1.00 72.15 H new ATOM 0 HG23 ILE A 4 5.954 10.435 3.296 1.00 72.15 H new ATOM 0 HD11 ILE A 4 4.483 7.076 5.454 1.00 61.04 H new ATOM 0 HD12 ILE A 4 6.245 7.106 5.703 1.00 61.04 H new ATOM 0 HD13 ILE A 4 5.323 8.628 5.683 1.00 61.04 H new ATOM 67 N LYS A 5 8.169 10.230 0.646 1.00 21.32 N ATOM 68 CA LYS A 5 9.269 11.088 0.224 1.00 63.04 C ATOM 69 C LYS A 5 8.872 12.559 0.295 1.00 73.53 C ATOM 70 O LYS A 5 7.695 12.913 0.215 1.00 63.11 O ATOM 71 CB LYS A 5 9.702 10.733 -1.201 1.00 12.51 C ATOM 72 CG LYS A 5 10.038 9.265 -1.388 1.00 64.50 C ATOM 73 CD LYS A 5 9.286 8.666 -2.564 1.00 64.44 C ATOM 74 CE LYS A 5 10.093 7.568 -3.241 1.00 21.53 C ATOM 75 NZ LYS A 5 10.110 7.725 -4.721 1.00 30.50 N ATOM 0 H LYS A 5 7.266 10.470 0.236 1.00 21.32 H new ATOM 0 HA LYS A 5 10.105 10.924 0.903 1.00 63.04 H new ATOM 0 HB2 LYS A 5 8.904 11.005 -1.892 1.00 12.51 H new ATOM 0 HB3 LYS A 5 10.572 11.333 -1.467 1.00 12.51 H new ATOM 0 HG2 LYS A 5 11.111 9.154 -1.546 1.00 64.50 H new ATOM 0 HG3 LYS A 5 9.791 8.716 -0.479 1.00 64.50 H new ATOM 0 HD2 LYS A 5 8.334 8.260 -2.220 1.00 64.44 H new ATOM 0 HD3 LYS A 5 9.056 9.449 -3.287 1.00 64.44 H new ATOM 0 HE2 LYS A 5 11.115 7.583 -2.862 1.00 21.53 H new ATOM 0 HE3 LYS A 5 9.672 6.596 -2.984 1.00 21.53 H new ATOM 0 HZ1 LYS A 5 10.670 6.958 -5.145 1.00 30.50 H new ATOM 0 HZ2 LYS A 5 9.137 7.686 -5.085 1.00 30.50 H new ATOM 0 HZ3 LYS A 5 10.535 8.641 -4.968 1.00 30.50 H new ATOM 89 N PRO A 6 9.874 13.437 0.447 1.00 31.44 N ATOM 90 CA PRO A 6 9.653 14.884 0.530 1.00 34.35 C ATOM 91 C PRO A 6 9.202 15.479 -0.799 1.00 35.02 C ATOM 92 O PRO A 6 8.866 14.750 -1.733 1.00 23.24 O ATOM 93 CB PRO A 6 11.027 15.431 0.922 1.00 25.22 C ATOM 94 CG PRO A 6 11.995 14.413 0.426 1.00 25.12 C ATOM 95 CD PRO A 6 11.300 13.086 0.549 1.00 14.41 C ATOM 0 HA PRO A 6 8.862 15.135 1.236 1.00 34.35 H new ATOM 0 HB2 PRO A 6 11.210 16.405 0.468 1.00 25.22 H new ATOM 0 HB3 PRO A 6 11.108 15.562 2.001 1.00 25.22 H new ATOM 0 HG2 PRO A 6 12.275 14.612 -0.608 1.00 25.12 H new ATOM 0 HG3 PRO A 6 12.913 14.429 1.014 1.00 25.12 H new ATOM 0 HD2 PRO A 6 11.602 12.399 -0.242 1.00 14.41 H new ATOM 0 HD3 PRO A 6 11.527 12.600 1.498 1.00 14.41 H new ATOM 103 N GLN A 7 9.199 16.805 -0.878 1.00 10.11 N ATOM 104 CA GLN A 7 8.788 17.497 -2.095 1.00 43.42 C ATOM 105 C GLN A 7 9.939 18.320 -2.667 1.00 22.02 C ATOM 106 O GLN A 7 9.807 18.940 -3.722 1.00 51.21 O ATOM 107 CB GLN A 7 7.589 18.402 -1.813 1.00 2.23 C ATOM 108 CG GLN A 7 7.826 19.393 -0.685 1.00 45.24 C ATOM 109 CD GLN A 7 6.562 20.119 -0.269 1.00 54.44 C ATOM 110 OE1 GLN A 7 6.412 21.317 -0.512 1.00 11.15 O ATOM 111 NE2 GLN A 7 5.644 19.396 0.360 1.00 21.24 N ATOM 0 H GLN A 7 9.476 17.422 -0.115 1.00 10.11 H new ATOM 0 HA GLN A 7 8.501 16.746 -2.831 1.00 43.42 H new ATOM 0 HB2 GLN A 7 7.337 18.951 -2.721 1.00 2.23 H new ATOM 0 HB3 GLN A 7 6.727 17.782 -1.566 1.00 2.23 H new ATOM 0 HG2 GLN A 7 8.237 18.866 0.176 1.00 45.24 H new ATOM 0 HG3 GLN A 7 8.573 20.123 -0.999 1.00 45.24 H new ATOM 0 HE21 GLN A 7 5.810 18.406 0.541 1.00 21.24 H new ATOM 0 HE22 GLN A 7 4.772 19.830 0.663 1.00 21.24 H new ATOM 120 N VAL A 8 11.067 18.321 -1.963 1.00 53.00 N ATOM 121 CA VAL A 8 12.240 19.067 -2.401 1.00 11.31 C ATOM 122 C VAL A 8 13.526 18.367 -1.977 1.00 5.21 C ATOM 123 O VAL A 8 13.491 17.304 -1.358 1.00 74.54 O ATOM 124 CB VAL A 8 12.238 20.500 -1.835 1.00 73.30 C ATOM 125 CG1 VAL A 8 11.095 21.307 -2.432 1.00 1.14 C ATOM 126 CG2 VAL A 8 12.146 20.472 -0.317 1.00 53.42 C ATOM 0 H VAL A 8 11.193 17.813 -1.087 1.00 53.00 H new ATOM 0 HA VAL A 8 12.197 19.114 -3.489 1.00 11.31 H new ATOM 0 HB VAL A 8 13.175 20.983 -2.110 1.00 73.30 H new ATOM 0 HG11 VAL A 8 11.109 22.316 -2.021 1.00 1.14 H new ATOM 0 HG12 VAL A 8 11.210 21.354 -3.515 1.00 1.14 H new ATOM 0 HG13 VAL A 8 10.146 20.829 -2.188 1.00 1.14 H new ATOM 0 HG21 VAL A 8 12.146 21.492 0.066 1.00 53.42 H new ATOM 0 HG22 VAL A 8 11.225 19.972 -0.017 1.00 53.42 H new ATOM 0 HG23 VAL A 8 13.001 19.932 0.089 1.00 53.42 H new ATOM 136 N SER A 9 14.662 18.972 -2.311 1.00 34.40 N ATOM 137 CA SER A 9 15.960 18.405 -1.968 1.00 30.12 C ATOM 138 C SER A 9 16.697 19.299 -0.975 1.00 21.43 C ATOM 139 O SER A 9 16.810 20.507 -1.175 1.00 40.13 O ATOM 140 CB SER A 9 16.807 18.217 -3.228 1.00 64.32 C ATOM 141 OG SER A 9 17.519 19.401 -3.546 1.00 31.41 O ATOM 0 H SER A 9 14.709 19.855 -2.819 1.00 34.40 H new ATOM 0 HA SER A 9 15.794 17.434 -1.503 1.00 30.12 H new ATOM 0 HB2 SER A 9 17.508 17.396 -3.079 1.00 64.32 H new ATOM 0 HB3 SER A 9 16.165 17.940 -4.064 1.00 64.32 H new ATOM 0 HG SER A 9 18.054 19.254 -4.354 1.00 31.41 H new ATOM 147 N GLY A 10 17.197 18.693 0.098 1.00 4.34 N ATOM 148 CA GLY A 10 17.916 19.448 1.108 1.00 23.31 C ATOM 149 C GLY A 10 18.639 18.553 2.095 1.00 70.44 C ATOM 150 O GLY A 10 19.425 17.690 1.702 1.00 31.21 O ATOM 0 H GLY A 10 17.117 17.694 0.286 1.00 4.34 H new ATOM 0 HA2 GLY A 10 18.637 20.105 0.622 1.00 23.31 H new ATOM 0 HA3 GLY A 10 17.216 20.087 1.647 1.00 23.31 H new ATOM 154 N VAL A 11 18.377 18.760 3.382 1.00 72.32 N ATOM 155 CA VAL A 11 19.008 17.965 4.428 1.00 65.13 C ATOM 156 C VAL A 11 18.032 17.672 5.561 1.00 11.15 C ATOM 157 O VAL A 11 17.321 18.564 6.027 1.00 60.35 O ATOM 158 CB VAL A 11 20.247 18.678 5.003 1.00 70.35 C ATOM 159 CG1 VAL A 11 20.949 17.791 6.021 1.00 34.32 C ATOM 160 CG2 VAL A 11 21.198 19.076 3.885 1.00 3.33 C ATOM 0 H VAL A 11 17.732 19.472 3.725 1.00 72.32 H new ATOM 0 HA VAL A 11 19.318 17.026 3.969 1.00 65.13 H new ATOM 0 HB VAL A 11 19.920 19.585 5.511 1.00 70.35 H new ATOM 0 HG11 VAL A 11 21.822 18.311 6.416 1.00 34.32 H new ATOM 0 HG12 VAL A 11 20.264 17.560 6.837 1.00 34.32 H new ATOM 0 HG13 VAL A 11 21.265 16.865 5.540 1.00 34.32 H new ATOM 0 HG21 VAL A 11 22.068 19.578 4.309 1.00 3.33 H new ATOM 0 HG22 VAL A 11 21.520 18.185 3.347 1.00 3.33 H new ATOM 0 HG23 VAL A 11 20.689 19.751 3.197 1.00 3.33 H new ATOM 170 N ILE A 12 18.003 16.419 6.001 1.00 34.33 N ATOM 171 CA ILE A 12 17.114 16.010 7.082 1.00 60.42 C ATOM 172 C ILE A 12 17.297 16.895 8.310 1.00 72.32 C ATOM 173 O ILE A 12 18.422 17.176 8.724 1.00 73.15 O ATOM 174 CB ILE A 12 17.353 14.542 7.482 1.00 70.14 C ATOM 175 CG1 ILE A 12 17.123 13.620 6.282 1.00 62.10 C ATOM 176 CG2 ILE A 12 16.444 14.152 8.638 1.00 51.13 C ATOM 177 CD1 ILE A 12 15.722 13.699 5.719 1.00 32.44 C ATOM 0 H ILE A 12 18.584 15.669 5.626 1.00 34.33 H new ATOM 0 HA ILE A 12 16.095 16.116 6.709 1.00 60.42 H new ATOM 0 HB ILE A 12 18.388 14.434 7.807 1.00 70.14 H new ATOM 0 HG12 ILE A 12 17.836 13.874 5.497 1.00 62.10 H new ATOM 0 HG13 ILE A 12 17.329 12.592 6.579 1.00 62.10 H new ATOM 0 HG21 ILE A 12 16.625 13.112 8.908 1.00 51.13 H new ATOM 0 HG22 ILE A 12 16.652 14.792 9.496 1.00 51.13 H new ATOM 0 HG23 ILE A 12 15.403 14.273 8.339 1.00 51.13 H new ATOM 0 HD11 ILE A 12 15.632 13.019 4.872 1.00 32.44 H new ATOM 0 HD12 ILE A 12 15.004 13.416 6.489 1.00 32.44 H new ATOM 0 HD13 ILE A 12 15.519 14.718 5.390 1.00 32.44 H new ATOM 189 N VAL A 13 16.184 17.331 8.889 1.00 34.51 N ATOM 190 CA VAL A 13 16.221 18.183 10.072 1.00 35.34 C ATOM 191 C VAL A 13 15.821 17.405 11.322 1.00 14.42 C ATOM 192 O VAL A 13 16.330 17.660 12.412 1.00 12.25 O ATOM 193 CB VAL A 13 15.287 19.398 9.917 1.00 2.34 C ATOM 194 CG1 VAL A 13 15.703 20.515 10.864 1.00 71.03 C ATOM 195 CG2 VAL A 13 15.280 19.885 8.476 1.00 61.55 C ATOM 0 H VAL A 13 15.245 17.109 8.559 1.00 34.51 H new ATOM 0 HA VAL A 13 17.248 18.534 10.178 1.00 35.34 H new ATOM 0 HB VAL A 13 14.274 19.091 10.177 1.00 2.34 H new ATOM 0 HG11 VAL A 13 15.032 21.365 10.741 1.00 71.03 H new ATOM 0 HG12 VAL A 13 15.651 20.158 11.893 1.00 71.03 H new ATOM 0 HG13 VAL A 13 16.724 20.823 10.638 1.00 71.03 H new ATOM 0 HG21 VAL A 13 14.615 20.744 8.385 1.00 61.55 H new ATOM 0 HG22 VAL A 13 16.289 20.176 8.185 1.00 61.55 H new ATOM 0 HG23 VAL A 13 14.931 19.085 7.823 1.00 61.55 H new ATOM 205 N ASN A 14 14.907 16.455 11.154 1.00 1.12 N ATOM 206 CA ASN A 14 14.439 15.639 12.268 1.00 0.44 C ATOM 207 C ASN A 14 13.471 14.564 11.786 1.00 22.42 C ATOM 208 O ASN A 14 13.106 14.522 10.612 1.00 15.42 O ATOM 209 CB ASN A 14 13.759 16.519 13.321 1.00 70.33 C ATOM 210 CG ASN A 14 13.846 15.924 14.713 1.00 1.23 C ATOM 211 OD1 ASN A 14 12.805 15.204 15.114 1.00 4.15 O flip ATOM 212 ND2 ASN A 14 14.836 16.112 15.419 1.00 65.43 N flip ATOM 0 H ASN A 14 14.476 16.231 10.257 1.00 1.12 H new ATOM 0 HA ASN A 14 15.304 15.149 12.716 1.00 0.44 H new ATOM 0 HB2 ASN A 14 14.222 17.506 13.321 1.00 70.33 H new ATOM 0 HB3 ASN A 14 12.712 16.659 13.053 1.00 70.33 H new ATOM 0 HD21 ASN A 14 15.613 16.673 15.069 1.00 65.43 H new ATOM 0 HD22 ASN A 14 14.880 15.707 16.354 1.00 65.43 H new ATOM 219 N LYS A 15 13.058 13.694 12.703 1.00 54.11 N ATOM 220 CA LYS A 15 12.131 12.617 12.373 1.00 12.04 C ATOM 221 C LYS A 15 11.034 12.502 13.427 1.00 12.44 C ATOM 222 O LYS A 15 11.223 11.873 14.469 1.00 12.31 O ATOM 223 CB LYS A 15 12.881 11.289 12.256 1.00 34.30 C ATOM 224 CG LYS A 15 13.841 11.234 11.080 1.00 43.31 C ATOM 225 CD LYS A 15 15.028 10.331 11.371 1.00 34.22 C ATOM 226 CE LYS A 15 14.617 8.867 11.412 1.00 42.34 C ATOM 227 NZ LYS A 15 15.796 7.964 11.527 1.00 21.44 N ATOM 0 H LYS A 15 13.351 13.714 13.680 1.00 54.11 H new ATOM 0 HA LYS A 15 11.667 12.851 11.415 1.00 12.04 H new ATOM 0 HB2 LYS A 15 13.437 11.113 13.177 1.00 34.30 H new ATOM 0 HB3 LYS A 15 12.157 10.480 12.161 1.00 34.30 H new ATOM 0 HG2 LYS A 15 13.315 10.872 10.197 1.00 43.31 H new ATOM 0 HG3 LYS A 15 14.195 12.239 10.851 1.00 43.31 H new ATOM 0 HD2 LYS A 15 15.792 10.474 10.607 1.00 34.22 H new ATOM 0 HD3 LYS A 15 15.475 10.612 12.325 1.00 34.22 H new ATOM 0 HE2 LYS A 15 13.948 8.701 12.257 1.00 42.34 H new ATOM 0 HE3 LYS A 15 14.058 8.621 10.509 1.00 42.34 H new ATOM 0 HZ1 LYS A 15 15.478 7.009 11.788 1.00 21.44 H new ATOM 0 HZ2 LYS A 15 16.294 7.925 10.615 1.00 21.44 H new ATOM 0 HZ3 LYS A 15 16.441 8.326 12.258 1.00 21.44 H new ATOM 241 N LEU A 16 9.888 13.113 13.149 1.00 24.33 N ATOM 242 CA LEU A 16 8.759 13.078 14.073 1.00 0.43 C ATOM 243 C LEU A 16 7.888 11.851 13.823 1.00 62.22 C ATOM 244 O LEU A 16 6.668 11.958 13.698 1.00 54.23 O ATOM 245 CB LEU A 16 7.921 14.350 13.934 1.00 15.23 C ATOM 246 CG LEU A 16 8.685 15.621 13.565 1.00 12.10 C ATOM 247 CD1 LEU A 16 7.723 16.778 13.343 1.00 70.41 C ATOM 248 CD2 LEU A 16 9.697 15.968 14.648 1.00 11.02 C ATOM 0 H LEU A 16 9.716 13.638 12.292 1.00 24.33 H new ATOM 0 HA LEU A 16 9.153 13.020 15.087 1.00 0.43 H new ATOM 0 HB2 LEU A 16 7.157 14.177 13.176 1.00 15.23 H new ATOM 0 HB3 LEU A 16 7.401 14.523 14.876 1.00 15.23 H new ATOM 0 HG LEU A 16 9.224 15.440 12.635 1.00 12.10 H new ATOM 0 HD11 LEU A 16 8.286 17.674 13.081 1.00 70.41 H new ATOM 0 HD12 LEU A 16 7.037 16.531 12.533 1.00 70.41 H new ATOM 0 HD13 LEU A 16 7.156 16.960 14.256 1.00 70.41 H new ATOM 0 HD21 LEU A 16 10.232 16.876 14.369 1.00 11.02 H new ATOM 0 HD22 LEU A 16 9.178 16.129 15.593 1.00 11.02 H new ATOM 0 HD23 LEU A 16 10.407 15.148 14.759 1.00 11.02 H new ATOM 260 N PHE A 17 8.523 10.685 13.754 1.00 4.15 N ATOM 261 CA PHE A 17 7.806 9.437 13.521 1.00 42.41 C ATOM 262 C PHE A 17 8.477 8.280 14.254 1.00 62.10 C ATOM 263 O PHE A 17 9.579 8.420 14.786 1.00 15.51 O ATOM 264 CB PHE A 17 7.739 9.136 12.022 1.00 63.24 C ATOM 265 CG PHE A 17 8.829 8.218 11.546 1.00 22.14 C ATOM 266 CD1 PHE A 17 10.136 8.667 11.441 1.00 34.14 C ATOM 267 CD2 PHE A 17 8.547 6.905 11.204 1.00 13.34 C ATOM 268 CE1 PHE A 17 11.141 7.826 11.004 1.00 32.21 C ATOM 269 CE2 PHE A 17 9.548 6.058 10.767 1.00 54.30 C ATOM 270 CZ PHE A 17 10.846 6.520 10.665 1.00 73.11 C ATOM 0 H PHE A 17 9.532 10.579 13.856 1.00 4.15 H new ATOM 0 HA PHE A 17 6.793 9.550 13.908 1.00 42.41 H new ATOM 0 HB2 PHE A 17 6.772 8.689 11.792 1.00 63.24 H new ATOM 0 HB3 PHE A 17 7.796 10.073 11.468 1.00 63.24 H new ATOM 0 HD1 PHE A 17 10.372 9.688 11.704 1.00 34.14 H new ATOM 0 HD2 PHE A 17 7.534 6.539 11.280 1.00 13.34 H new ATOM 0 HE1 PHE A 17 12.155 8.189 10.928 1.00 32.21 H new ATOM 0 HE2 PHE A 17 9.316 5.036 10.506 1.00 54.30 H new ATOM 0 HZ PHE A 17 11.629 5.861 10.321 1.00 73.11 H new ATOM 280 N LYS A 18 7.804 7.135 14.281 1.00 43.04 N ATOM 281 CA LYS A 18 8.333 5.951 14.948 1.00 14.12 C ATOM 282 C LYS A 18 8.295 4.740 14.020 1.00 10.22 C ATOM 283 O LYS A 18 7.508 4.696 13.075 1.00 62.40 O ATOM 284 CB LYS A 18 7.533 5.657 16.219 1.00 34.14 C ATOM 285 CG LYS A 18 7.532 6.803 17.216 1.00 33.03 C ATOM 286 CD LYS A 18 6.351 7.733 16.995 1.00 13.22 C ATOM 287 CE LYS A 18 5.199 7.404 17.931 1.00 32.43 C ATOM 288 NZ LYS A 18 5.198 8.275 19.138 1.00 34.13 N ATOM 0 H LYS A 18 6.890 7.002 13.848 1.00 43.04 H new ATOM 0 HA LYS A 18 9.371 6.149 15.216 1.00 14.12 H new ATOM 0 HB2 LYS A 18 6.504 5.424 15.945 1.00 34.14 H new ATOM 0 HB3 LYS A 18 7.944 4.769 16.699 1.00 34.14 H new ATOM 0 HG2 LYS A 18 7.498 6.404 18.230 1.00 33.03 H new ATOM 0 HG3 LYS A 18 8.461 7.366 17.126 1.00 33.03 H new ATOM 0 HD2 LYS A 18 6.665 8.765 17.152 1.00 13.22 H new ATOM 0 HD3 LYS A 18 6.014 7.656 15.961 1.00 13.22 H new ATOM 0 HE2 LYS A 18 4.255 7.520 17.399 1.00 32.43 H new ATOM 0 HE3 LYS A 18 5.267 6.360 18.237 1.00 32.43 H new ATOM 0 HZ1 LYS A 18 4.397 8.019 19.750 1.00 34.13 H new ATOM 0 HZ2 LYS A 18 6.088 8.146 19.660 1.00 34.13 H new ATOM 0 HZ3 LYS A 18 5.108 9.270 18.848 1.00 34.13 H new ATOM 302 N ALA A 19 9.150 3.762 14.296 1.00 62.11 N ATOM 303 CA ALA A 19 9.212 2.550 13.488 1.00 3.41 C ATOM 304 C ALA A 19 8.215 1.509 13.984 1.00 65.20 C ATOM 305 O ALA A 19 8.403 0.909 15.042 1.00 41.04 O ATOM 306 CB ALA A 19 10.623 1.981 13.499 1.00 51.23 C ATOM 0 H ALA A 19 9.810 3.785 15.073 1.00 62.11 H new ATOM 0 HA ALA A 19 8.945 2.811 12.464 1.00 3.41 H new ATOM 0 HB1 ALA A 19 10.655 1.076 12.892 1.00 51.23 H new ATOM 0 HB2 ALA A 19 11.315 2.717 13.090 1.00 51.23 H new ATOM 0 HB3 ALA A 19 10.911 1.741 14.523 1.00 51.23 H new ATOM 312 N GLY A 20 7.153 1.298 13.212 1.00 25.20 N ATOM 313 CA GLY A 20 6.141 0.329 13.591 1.00 44.23 C ATOM 314 C GLY A 20 4.888 0.982 14.136 1.00 33.14 C ATOM 315 O GLY A 20 4.031 0.312 14.716 1.00 44.44 O ATOM 0 H GLY A 20 6.976 1.781 12.331 1.00 25.20 H new ATOM 0 HA2 GLY A 20 5.882 -0.279 12.724 1.00 44.23 H new ATOM 0 HA3 GLY A 20 6.552 -0.345 14.342 1.00 44.23 H new ATOM 319 N ASP A 21 4.778 2.293 13.953 1.00 11.42 N ATOM 320 CA ASP A 21 3.619 3.038 14.431 1.00 34.12 C ATOM 321 C ASP A 21 2.680 3.382 13.278 1.00 1.41 C ATOM 322 O ASP A 21 2.925 3.008 12.130 1.00 24.05 O ATOM 323 CB ASP A 21 4.065 4.317 15.141 1.00 54.01 C ATOM 324 CG ASP A 21 3.910 4.227 16.646 1.00 20.42 C ATOM 325 OD1 ASP A 21 4.767 3.590 17.294 1.00 24.34 O ATOM 326 OD2 ASP A 21 2.932 4.794 17.177 1.00 11.13 O ATOM 0 H ASP A 21 5.478 2.862 13.477 1.00 11.42 H new ATOM 0 HA ASP A 21 3.080 2.408 15.139 1.00 34.12 H new ATOM 0 HB2 ASP A 21 5.108 4.520 14.897 1.00 54.01 H new ATOM 0 HB3 ASP A 21 3.481 5.159 14.768 1.00 54.01 H new ATOM 331 N LYS A 22 1.605 4.098 13.591 1.00 73.01 N ATOM 332 CA LYS A 22 0.629 4.494 12.582 1.00 64.42 C ATOM 333 C LYS A 22 0.721 5.989 12.295 1.00 13.02 C ATOM 334 O LYS A 22 1.140 6.771 13.148 1.00 51.13 O ATOM 335 CB LYS A 22 -0.785 4.137 13.043 1.00 24.24 C ATOM 336 CG LYS A 22 -1.318 2.851 12.436 1.00 15.42 C ATOM 337 CD LYS A 22 -2.642 3.076 11.726 1.00 24.13 C ATOM 338 CE LYS A 22 -3.751 3.418 12.710 1.00 0.21 C ATOM 339 NZ LYS A 22 -4.874 4.140 12.051 1.00 45.43 N ATOM 0 H LYS A 22 1.388 4.416 14.535 1.00 73.01 H new ATOM 0 HA LYS A 22 0.852 3.951 11.663 1.00 64.42 H new ATOM 0 HB2 LYS A 22 -0.791 4.046 14.129 1.00 24.24 H new ATOM 0 HB3 LYS A 22 -1.458 4.955 12.788 1.00 24.24 H new ATOM 0 HG2 LYS A 22 -0.589 2.451 11.731 1.00 15.42 H new ATOM 0 HG3 LYS A 22 -1.447 2.104 13.219 1.00 15.42 H new ATOM 0 HD2 LYS A 22 -2.535 3.883 11.002 1.00 24.13 H new ATOM 0 HD3 LYS A 22 -2.913 2.180 11.167 1.00 24.13 H new ATOM 0 HE2 LYS A 22 -4.126 2.502 13.167 1.00 0.21 H new ATOM 0 HE3 LYS A 22 -3.346 4.033 13.514 1.00 0.21 H new ATOM 0 HZ1 LYS A 22 -5.609 4.355 12.755 1.00 45.43 H new ATOM 0 HZ2 LYS A 22 -4.521 5.026 11.637 1.00 45.43 H new ATOM 0 HZ3 LYS A 22 -5.277 3.544 11.300 1.00 45.43 H new ATOM 353 N VAL A 23 0.323 6.381 11.088 1.00 73.42 N ATOM 354 CA VAL A 23 0.356 7.782 10.689 1.00 43.12 C ATOM 355 C VAL A 23 -1.045 8.302 10.387 1.00 44.31 C ATOM 356 O VAL A 23 -2.026 7.566 10.487 1.00 34.45 O ATOM 357 CB VAL A 23 1.248 7.992 9.451 1.00 42.32 C ATOM 358 CG1 VAL A 23 2.650 7.460 9.707 1.00 43.23 C ATOM 359 CG2 VAL A 23 0.631 7.327 8.231 1.00 70.33 C ATOM 0 H VAL A 23 -0.026 5.747 10.370 1.00 73.42 H new ATOM 0 HA VAL A 23 0.773 8.340 11.527 1.00 43.12 H new ATOM 0 HB VAL A 23 1.321 9.062 9.255 1.00 42.32 H new ATOM 0 HG11 VAL A 23 3.266 7.617 8.822 1.00 43.23 H new ATOM 0 HG12 VAL A 23 3.090 7.987 10.553 1.00 43.23 H new ATOM 0 HG13 VAL A 23 2.600 6.394 9.930 1.00 43.23 H new ATOM 0 HG21 VAL A 23 1.275 7.486 7.366 1.00 70.33 H new ATOM 0 HG22 VAL A 23 0.526 6.258 8.414 1.00 70.33 H new ATOM 0 HG23 VAL A 23 -0.350 7.760 8.038 1.00 70.33 H new ATOM 369 N LYS A 24 -1.130 9.575 10.016 1.00 51.33 N ATOM 370 CA LYS A 24 -2.410 10.195 9.697 1.00 75.12 C ATOM 371 C LYS A 24 -2.311 11.020 8.418 1.00 52.32 C ATOM 372 O LYS A 24 -1.222 11.226 7.882 1.00 64.10 O ATOM 373 CB LYS A 24 -2.874 11.081 10.855 1.00 53.53 C ATOM 374 CG LYS A 24 -3.586 10.318 11.957 1.00 32.14 C ATOM 375 CD LYS A 24 -4.930 10.946 12.291 1.00 64.12 C ATOM 376 CE LYS A 24 -5.906 10.823 11.132 1.00 42.43 C ATOM 377 NZ LYS A 24 -7.082 11.721 11.300 1.00 73.21 N ATOM 0 H LYS A 24 -0.327 10.198 9.929 1.00 51.33 H new ATOM 0 HA LYS A 24 -3.141 9.402 9.540 1.00 75.12 H new ATOM 0 HB2 LYS A 24 -2.010 11.593 11.279 1.00 53.53 H new ATOM 0 HB3 LYS A 24 -3.542 11.851 10.468 1.00 53.53 H new ATOM 0 HG2 LYS A 24 -3.734 9.283 11.648 1.00 32.14 H new ATOM 0 HG3 LYS A 24 -2.961 10.298 12.850 1.00 32.14 H new ATOM 0 HD2 LYS A 24 -5.349 10.463 13.174 1.00 64.12 H new ATOM 0 HD3 LYS A 24 -4.790 11.998 12.540 1.00 64.12 H new ATOM 0 HE2 LYS A 24 -5.395 11.064 10.200 1.00 42.43 H new ATOM 0 HE3 LYS A 24 -6.246 9.791 11.051 1.00 42.43 H new ATOM 0 HZ1 LYS A 24 -7.724 11.608 10.490 1.00 73.21 H new ATOM 0 HZ2 LYS A 24 -7.584 11.475 12.177 1.00 73.21 H new ATOM 0 HZ3 LYS A 24 -6.760 12.709 11.351 1.00 73.21 H new ATOM 391 N LYS A 25 -3.455 11.493 7.935 1.00 53.43 N ATOM 392 CA LYS A 25 -3.497 12.300 6.720 1.00 33.13 C ATOM 393 C LYS A 25 -2.981 13.711 6.985 1.00 72.41 C ATOM 394 O LYS A 25 -3.737 14.592 7.393 1.00 54.11 O ATOM 395 CB LYS A 25 -4.926 12.362 6.174 1.00 50.12 C ATOM 396 CG LYS A 25 -5.308 11.157 5.332 1.00 1.31 C ATOM 397 CD LYS A 25 -6.766 11.213 4.909 1.00 20.51 C ATOM 398 CE LYS A 25 -7.071 10.191 3.824 1.00 23.54 C ATOM 399 NZ LYS A 25 -8.282 9.386 4.145 1.00 32.44 N ATOM 0 H LYS A 25 -4.365 11.332 8.366 1.00 53.43 H new ATOM 0 HA LYS A 25 -2.851 11.830 5.979 1.00 33.13 H new ATOM 0 HB2 LYS A 25 -5.622 12.447 7.009 1.00 50.12 H new ATOM 0 HB3 LYS A 25 -5.038 13.265 5.573 1.00 50.12 H new ATOM 0 HG2 LYS A 25 -4.673 11.114 4.447 1.00 1.31 H new ATOM 0 HG3 LYS A 25 -5.127 10.244 5.899 1.00 1.31 H new ATOM 0 HD2 LYS A 25 -7.404 11.029 5.773 1.00 20.51 H new ATOM 0 HD3 LYS A 25 -7.002 12.213 4.545 1.00 20.51 H new ATOM 0 HE2 LYS A 25 -7.217 10.703 2.873 1.00 23.54 H new ATOM 0 HE3 LYS A 25 -6.216 9.527 3.700 1.00 23.54 H new ATOM 0 HZ1 LYS A 25 -8.456 8.701 3.382 1.00 32.44 H new ATOM 0 HZ2 LYS A 25 -8.133 8.877 5.040 1.00 32.44 H new ATOM 0 HZ3 LYS A 25 -9.104 10.017 4.238 1.00 32.44 H new ATOM 413 N GLY A 26 -1.689 13.917 6.751 1.00 15.23 N ATOM 414 CA GLY A 26 -1.095 15.223 6.968 1.00 33.43 C ATOM 415 C GLY A 26 -0.285 15.285 8.249 1.00 15.44 C ATOM 416 O GLY A 26 0.054 16.370 8.722 1.00 64.52 O ATOM 0 H GLY A 26 -1.043 13.203 6.415 1.00 15.23 H new ATOM 0 HA2 GLY A 26 -0.453 15.472 6.123 1.00 33.43 H new ATOM 0 HA3 GLY A 26 -1.882 15.976 7.003 1.00 33.43 H new ATOM 420 N GLN A 27 0.023 14.121 8.810 1.00 34.42 N ATOM 421 CA GLN A 27 0.795 14.049 10.044 1.00 31.20 C ATOM 422 C GLN A 27 2.290 14.128 9.756 1.00 52.42 C ATOM 423 O GLN A 27 2.814 13.386 8.923 1.00 3.25 O ATOM 424 CB GLN A 27 0.476 12.755 10.795 1.00 11.23 C ATOM 425 CG GLN A 27 0.390 12.932 12.303 1.00 55.40 C ATOM 426 CD GLN A 27 1.063 11.806 13.062 1.00 0.13 C ATOM 427 OE1 GLN A 27 2.286 11.780 13.201 1.00 41.44 O ATOM 428 NE2 GLN A 27 0.266 10.867 13.558 1.00 43.12 N ATOM 0 H GLN A 27 -0.250 13.215 8.430 1.00 34.42 H new ATOM 0 HA GLN A 27 0.518 14.900 10.666 1.00 31.20 H new ATOM 0 HB2 GLN A 27 -0.471 12.357 10.430 1.00 11.23 H new ATOM 0 HB3 GLN A 27 1.243 12.014 10.568 1.00 11.23 H new ATOM 0 HG2 GLN A 27 0.852 13.879 12.581 1.00 55.40 H new ATOM 0 HG3 GLN A 27 -0.657 12.989 12.599 1.00 55.40 H new ATOM 0 HE21 GLN A 27 -0.743 10.928 13.419 1.00 43.12 H new ATOM 0 HE22 GLN A 27 0.662 10.084 14.078 1.00 43.12 H new ATOM 437 N THR A 28 2.975 15.032 10.450 1.00 12.44 N ATOM 438 CA THR A 28 4.410 15.210 10.267 1.00 22.24 C ATOM 439 C THR A 28 5.172 13.944 10.641 1.00 64.11 C ATOM 440 O THR A 28 4.856 13.288 11.635 1.00 45.00 O ATOM 441 CB THR A 28 4.942 16.384 11.109 1.00 4.30 C ATOM 442 OG1 THR A 28 3.960 17.424 11.177 1.00 54.11 O ATOM 443 CG2 THR A 28 6.231 16.935 10.518 1.00 75.44 C ATOM 0 H THR A 28 2.558 15.652 11.144 1.00 12.44 H new ATOM 0 HA THR A 28 4.570 15.429 9.211 1.00 22.24 H new ATOM 0 HB THR A 28 5.150 16.015 12.113 1.00 4.30 H new ATOM 0 HG1 THR A 28 4.306 18.166 11.716 1.00 54.11 H new ATOM 0 HG21 THR A 28 6.587 17.763 11.130 1.00 75.44 H new ATOM 0 HG22 THR A 28 6.986 16.149 10.496 1.00 75.44 H new ATOM 0 HG23 THR A 28 6.045 17.288 9.504 1.00 75.44 H new ATOM 451 N LEU A 29 6.177 13.606 9.841 1.00 72.11 N ATOM 452 CA LEU A 29 6.987 12.418 10.089 1.00 32.35 C ATOM 453 C LEU A 29 8.469 12.717 9.892 1.00 21.12 C ATOM 454 O LEU A 29 9.316 12.233 10.642 1.00 14.01 O ATOM 455 CB LEU A 29 6.556 11.280 9.161 1.00 40.50 C ATOM 456 CG LEU A 29 5.062 10.956 9.145 1.00 31.53 C ATOM 457 CD1 LEU A 29 4.673 10.290 7.834 1.00 41.51 C ATOM 458 CD2 LEU A 29 4.697 10.066 10.325 1.00 43.31 C ATOM 0 H LEU A 29 6.451 14.138 9.015 1.00 72.11 H new ATOM 0 HA LEU A 29 6.832 12.113 11.124 1.00 32.35 H new ATOM 0 HB2 LEU A 29 6.864 11.530 8.146 1.00 40.50 H new ATOM 0 HB3 LEU A 29 7.100 10.379 9.447 1.00 40.50 H new ATOM 0 HG LEU A 29 4.507 11.890 9.233 1.00 31.53 H new ATOM 0 HD11 LEU A 29 3.606 10.067 7.842 1.00 41.51 H new ATOM 0 HD12 LEU A 29 4.898 10.961 7.005 1.00 41.51 H new ATOM 0 HD13 LEU A 29 5.236 9.364 7.715 1.00 41.51 H new ATOM 0 HD21 LEU A 29 3.630 9.845 10.298 1.00 43.31 H new ATOM 0 HD22 LEU A 29 5.262 9.135 10.267 1.00 43.31 H new ATOM 0 HD23 LEU A 29 4.938 10.579 11.256 1.00 43.31 H new ATOM 470 N PHE A 30 8.775 13.521 8.879 1.00 72.31 N ATOM 471 CA PHE A 30 10.155 13.887 8.583 1.00 74.42 C ATOM 472 C PHE A 30 10.268 15.376 8.269 1.00 23.43 C ATOM 473 O PHE A 30 9.262 16.053 8.054 1.00 10.45 O ATOM 474 CB PHE A 30 10.681 13.065 7.405 1.00 53.34 C ATOM 475 CG PHE A 30 10.616 11.582 7.632 1.00 73.22 C ATOM 476 CD1 PHE A 30 9.454 10.877 7.360 1.00 64.41 C ATOM 477 CD2 PHE A 30 11.716 10.892 8.115 1.00 10.42 C ATOM 478 CE1 PHE A 30 9.391 9.512 7.570 1.00 10.23 C ATOM 479 CE2 PHE A 30 11.659 9.527 8.325 1.00 2.42 C ATOM 480 CZ PHE A 30 10.495 8.836 8.051 1.00 12.34 C ATOM 0 H PHE A 30 8.086 13.932 8.249 1.00 72.31 H new ATOM 0 HA PHE A 30 10.758 13.673 9.465 1.00 74.42 H new ATOM 0 HB2 PHE A 30 10.105 13.313 6.513 1.00 53.34 H new ATOM 0 HB3 PHE A 30 11.714 13.349 7.207 1.00 53.34 H new ATOM 0 HD1 PHE A 30 8.589 11.400 6.980 1.00 64.41 H new ATOM 0 HD2 PHE A 30 12.629 11.427 8.330 1.00 10.42 H new ATOM 0 HE1 PHE A 30 8.479 8.974 7.358 1.00 10.23 H new ATOM 0 HE2 PHE A 30 12.524 9.001 8.703 1.00 2.42 H new ATOM 0 HZ PHE A 30 10.448 7.769 8.213 1.00 12.34 H new ATOM 490 N ILE A 31 11.497 15.878 8.247 1.00 2.31 N ATOM 491 CA ILE A 31 11.742 17.286 7.960 1.00 71.23 C ATOM 492 C ILE A 31 13.017 17.467 7.142 1.00 72.42 C ATOM 493 O ILE A 31 14.008 16.768 7.356 1.00 72.24 O ATOM 494 CB ILE A 31 11.854 18.114 9.254 1.00 61.11 C ATOM 495 CG1 ILE A 31 10.695 17.784 10.198 1.00 53.32 C ATOM 496 CG2 ILE A 31 11.876 19.600 8.933 1.00 55.34 C ATOM 497 CD1 ILE A 31 10.979 16.620 11.119 1.00 22.24 C ATOM 0 H ILE A 31 12.339 15.331 8.424 1.00 2.31 H new ATOM 0 HA ILE A 31 10.889 17.643 7.383 1.00 71.23 H new ATOM 0 HB ILE A 31 12.789 17.857 9.752 1.00 61.11 H new ATOM 0 HG12 ILE A 31 10.464 18.664 10.798 1.00 53.32 H new ATOM 0 HG13 ILE A 31 9.807 17.560 9.606 1.00 53.32 H new ATOM 0 HG21 ILE A 31 11.955 20.171 9.858 1.00 55.34 H new ATOM 0 HG22 ILE A 31 12.732 19.822 8.295 1.00 55.34 H new ATOM 0 HG23 ILE A 31 10.957 19.874 8.415 1.00 55.34 H new ATOM 0 HD11 ILE A 31 10.115 16.443 11.759 1.00 22.24 H new ATOM 0 HD12 ILE A 31 11.180 15.728 10.526 1.00 22.24 H new ATOM 0 HD13 ILE A 31 11.847 16.848 11.737 1.00 22.24 H new ATOM 509 N ILE A 32 12.984 18.410 6.207 1.00 4.15 N ATOM 510 CA ILE A 32 14.138 18.685 5.360 1.00 3.31 C ATOM 511 C ILE A 32 14.308 20.183 5.132 1.00 42.53 C ATOM 512 O ILE A 32 13.342 20.893 4.855 1.00 54.04 O ATOM 513 CB ILE A 32 14.015 17.981 3.996 1.00 61.02 C ATOM 514 CG1 ILE A 32 14.251 16.477 4.151 1.00 75.05 C ATOM 515 CG2 ILE A 32 15.000 18.577 3.001 1.00 1.23 C ATOM 516 CD1 ILE A 32 13.326 15.630 3.306 1.00 24.35 C ATOM 0 H ILE A 32 12.171 18.996 6.017 1.00 4.15 H new ATOM 0 HA ILE A 32 15.013 18.298 5.883 1.00 3.31 H new ATOM 0 HB ILE A 32 13.006 18.134 3.614 1.00 61.02 H new ATOM 0 HG12 ILE A 32 15.283 16.250 3.884 1.00 75.05 H new ATOM 0 HG13 ILE A 32 14.125 16.204 5.199 1.00 75.05 H new ATOM 0 HG21 ILE A 32 14.901 18.069 2.042 1.00 1.23 H new ATOM 0 HG22 ILE A 32 14.790 19.639 2.872 1.00 1.23 H new ATOM 0 HG23 ILE A 32 16.016 18.451 3.375 1.00 1.23 H new ATOM 0 HD11 ILE A 32 13.550 14.575 3.466 1.00 24.35 H new ATOM 0 HD12 ILE A 32 12.292 15.828 3.588 1.00 24.35 H new ATOM 0 HD13 ILE A 32 13.468 15.875 2.253 1.00 24.35 H new ATOM 528 N GLU A 33 15.545 20.657 5.250 1.00 53.43 N ATOM 529 CA GLU A 33 15.841 22.072 5.055 1.00 65.12 C ATOM 530 C GLU A 33 16.414 22.322 3.663 1.00 41.25 C ATOM 531 O GLU A 33 17.375 21.672 3.251 1.00 23.13 O ATOM 532 CB GLU A 33 16.827 22.560 6.120 1.00 13.32 C ATOM 533 CG GLU A 33 17.595 23.806 5.711 1.00 62.00 C ATOM 534 CD GLU A 33 18.867 23.483 4.950 1.00 12.20 C ATOM 535 OE1 GLU A 33 19.546 22.501 5.319 1.00 4.52 O ATOM 536 OE2 GLU A 33 19.182 24.211 3.986 1.00 42.14 O ATOM 0 H GLU A 33 16.357 20.083 5.479 1.00 53.43 H new ATOM 0 HA GLU A 33 14.909 22.629 5.150 1.00 65.12 H new ATOM 0 HB2 GLU A 33 16.282 22.765 7.041 1.00 13.32 H new ATOM 0 HB3 GLU A 33 17.536 21.762 6.340 1.00 13.32 H new ATOM 0 HG2 GLU A 33 16.956 24.436 5.092 1.00 62.00 H new ATOM 0 HG3 GLU A 33 17.845 24.383 6.601 1.00 62.00 H new ATOM 543 N GLN A 34 15.817 23.266 2.944 1.00 32.30 N ATOM 544 CA GLN A 34 16.267 23.600 1.598 1.00 14.21 C ATOM 545 C GLN A 34 16.112 25.093 1.327 1.00 24.04 C ATOM 546 O GLN A 34 15.890 25.881 2.247 1.00 22.13 O ATOM 547 CB GLN A 34 15.481 22.798 0.561 1.00 74.44 C ATOM 548 CG GLN A 34 14.027 23.224 0.435 1.00 50.51 C ATOM 549 CD GLN A 34 13.224 22.939 1.689 1.00 72.32 C ATOM 550 OE1 GLN A 34 12.513 23.806 2.196 1.00 43.24 O ATOM 551 NE2 GLN A 34 13.333 21.716 2.195 1.00 65.32 N ATOM 0 H GLN A 34 15.021 23.813 3.271 1.00 32.30 H new ATOM 0 HA GLN A 34 17.323 23.343 1.521 1.00 14.21 H new ATOM 0 HB2 GLN A 34 15.966 22.901 -0.410 1.00 74.44 H new ATOM 0 HB3 GLN A 34 15.519 21.741 0.826 1.00 74.44 H new ATOM 0 HG2 GLN A 34 13.983 24.291 0.215 1.00 50.51 H new ATOM 0 HG3 GLN A 34 13.572 22.705 -0.409 1.00 50.51 H new ATOM 0 HE21 GLN A 34 13.934 21.028 1.742 1.00 65.32 H new ATOM 0 HE22 GLN A 34 12.815 21.464 3.037 1.00 65.32 H new ATOM 560 N ASP A 35 16.231 25.476 0.061 1.00 71.22 N ATOM 561 CA ASP A 35 16.103 26.874 -0.331 1.00 50.55 C ATOM 562 C ASP A 35 15.225 27.013 -1.570 1.00 30.31 C ATOM 563 O ASP A 35 15.656 26.721 -2.685 1.00 4.22 O ATOM 564 CB ASP A 35 17.483 27.478 -0.599 1.00 1.04 C ATOM 565 CG ASP A 35 17.399 28.852 -1.235 1.00 11.24 C ATOM 566 OD1 ASP A 35 16.485 29.620 -0.869 1.00 73.01 O ATOM 567 OD2 ASP A 35 18.247 29.159 -2.100 1.00 1.04 O ATOM 0 H ASP A 35 16.416 24.837 -0.712 1.00 71.22 H new ATOM 0 HA ASP A 35 15.630 27.414 0.489 1.00 50.55 H new ATOM 0 HB2 ASP A 35 18.034 27.548 0.339 1.00 1.04 H new ATOM 0 HB3 ASP A 35 18.047 26.812 -1.252 1.00 1.04 H new ATOM 572 N GLN A 36 13.989 27.459 -1.366 1.00 53.14 N ATOM 573 CA GLN A 36 13.049 27.635 -2.467 1.00 43.11 C ATOM 574 C GLN A 36 12.025 28.716 -2.140 1.00 14.33 C ATOM 575 O GLN A 36 10.964 28.788 -2.761 1.00 43.11 O ATOM 576 CB GLN A 36 12.337 26.317 -2.772 1.00 70.43 C ATOM 577 CG GLN A 36 11.229 25.981 -1.787 1.00 25.34 C ATOM 578 CD GLN A 36 10.543 24.667 -2.104 1.00 35.40 C ATOM 579 OE1 GLN A 36 10.384 24.302 -3.271 1.00 4.13 O ATOM 580 NE2 GLN A 36 10.131 23.947 -1.067 1.00 42.24 N ATOM 0 H GLN A 36 13.616 27.705 -0.449 1.00 53.14 H new ATOM 0 HA GLN A 36 13.612 27.948 -3.346 1.00 43.11 H new ATOM 0 HB2 GLN A 36 11.916 26.365 -3.776 1.00 70.43 H new ATOM 0 HB3 GLN A 36 13.069 25.510 -2.771 1.00 70.43 H new ATOM 0 HG2 GLN A 36 11.645 25.935 -0.780 1.00 25.34 H new ATOM 0 HG3 GLN A 36 10.490 26.782 -1.791 1.00 25.34 H new ATOM 0 HE21 GLN A 36 10.283 24.287 -0.117 1.00 42.24 H new ATOM 0 HE22 GLN A 36 9.662 23.054 -1.220 1.00 42.24 H new ATOM 589 N ALA A 37 12.349 29.556 -1.162 1.00 70.44 N ATOM 590 CA ALA A 37 11.457 30.635 -0.755 1.00 64.04 C ATOM 591 C ALA A 37 11.346 31.696 -1.843 1.00 34.11 C ATOM 592 O ALA A 37 10.259 31.956 -2.362 1.00 45.55 O ATOM 593 CB ALA A 37 11.943 31.259 0.546 1.00 72.24 C ATOM 0 H ALA A 37 13.222 29.510 -0.637 1.00 70.44 H new ATOM 0 HA ALA A 37 10.465 30.212 -0.595 1.00 64.04 H new ATOM 0 HB1 ALA A 37 11.268 32.063 0.838 1.00 72.24 H new ATOM 0 HB2 ALA A 37 11.963 30.500 1.328 1.00 72.24 H new ATOM 0 HB3 ALA A 37 12.946 31.661 0.404 1.00 72.24 H new ATOM 599 N SER A 38 12.476 32.307 -2.185 1.00 35.22 N ATOM 600 CA SER A 38 12.504 33.344 -3.210 1.00 44.14 C ATOM 601 C SER A 38 13.920 33.883 -3.399 1.00 34.04 C ATOM 602 O SER A 38 14.824 33.569 -2.626 1.00 2.42 O ATOM 603 CB SER A 38 11.558 34.486 -2.836 1.00 14.14 C ATOM 604 OG SER A 38 10.576 34.684 -3.840 1.00 72.33 O ATOM 0 H SER A 38 13.384 32.102 -1.767 1.00 35.22 H new ATOM 0 HA SER A 38 12.174 32.901 -4.149 1.00 44.14 H new ATOM 0 HB2 SER A 38 11.072 34.264 -1.886 1.00 14.14 H new ATOM 0 HB3 SER A 38 12.129 35.404 -2.695 1.00 14.14 H new ATOM 0 HG SER A 38 9.982 35.418 -3.577 1.00 72.33 H new ATOM 610 N LYS A 39 14.102 34.697 -4.433 1.00 41.25 N ATOM 611 CA LYS A 39 15.405 35.282 -4.725 1.00 70.05 C ATOM 612 C LYS A 39 15.493 36.709 -4.195 1.00 35.42 C ATOM 613 O LYS A 39 16.497 37.393 -4.389 1.00 10.10 O ATOM 614 CB LYS A 39 15.666 35.270 -6.234 1.00 63.34 C ATOM 615 CG LYS A 39 16.278 33.972 -6.734 1.00 11.53 C ATOM 616 CD LYS A 39 15.447 32.769 -6.324 1.00 25.02 C ATOM 617 CE LYS A 39 14.074 32.789 -6.977 1.00 3.45 C ATOM 618 NZ LYS A 39 13.909 31.682 -7.959 1.00 5.44 N ATOM 0 H LYS A 39 13.363 34.967 -5.083 1.00 41.25 H new ATOM 0 HA LYS A 39 16.165 34.681 -4.226 1.00 70.05 H new ATOM 0 HB2 LYS A 39 14.727 35.445 -6.758 1.00 63.34 H new ATOM 0 HB3 LYS A 39 16.331 36.096 -6.486 1.00 63.34 H new ATOM 0 HG2 LYS A 39 16.363 34.004 -7.820 1.00 11.53 H new ATOM 0 HG3 LYS A 39 17.288 33.869 -6.338 1.00 11.53 H new ATOM 0 HD2 LYS A 39 15.969 31.853 -6.602 1.00 25.02 H new ATOM 0 HD3 LYS A 39 15.335 32.756 -5.240 1.00 25.02 H new ATOM 0 HE2 LYS A 39 13.305 32.710 -6.208 1.00 3.45 H new ATOM 0 HE3 LYS A 39 13.925 33.745 -7.479 1.00 3.45 H new ATOM 0 HZ1 LYS A 39 12.960 31.731 -8.381 1.00 5.44 H new ATOM 0 HZ2 LYS A 39 14.626 31.772 -8.707 1.00 5.44 H new ATOM 0 HZ3 LYS A 39 14.026 30.769 -7.475 1.00 5.44 H new ATOM 632 N ASP A 40 14.434 37.152 -3.526 1.00 24.03 N ATOM 633 CA ASP A 40 14.392 38.497 -2.965 1.00 13.44 C ATOM 634 C ASP A 40 13.570 38.526 -1.680 1.00 33.32 C ATOM 635 O ASP A 40 13.004 39.556 -1.316 1.00 30.12 O ATOM 636 CB ASP A 40 13.806 39.478 -3.982 1.00 2.03 C ATOM 637 CG ASP A 40 12.703 38.857 -4.817 1.00 3.51 C ATOM 638 OD1 ASP A 40 13.027 38.169 -5.808 1.00 0.23 O ATOM 639 OD2 ASP A 40 11.518 39.060 -4.480 1.00 41.14 O ATOM 0 H ASP A 40 13.593 36.599 -3.359 1.00 24.03 H new ATOM 0 HA ASP A 40 15.413 38.797 -2.728 1.00 13.44 H new ATOM 0 HB2 ASP A 40 13.414 40.349 -3.458 1.00 2.03 H new ATOM 0 HB3 ASP A 40 14.600 39.832 -4.640 1.00 2.03 H new ATOM 644 N PHE A 41 13.507 37.386 -0.999 1.00 11.21 N ATOM 645 CA PHE A 41 12.752 37.280 0.244 1.00 71.22 C ATOM 646 C PHE A 41 13.679 37.373 1.453 1.00 33.30 C ATOM 647 O PHE A 41 13.735 38.400 2.128 1.00 75.24 O ATOM 648 CB PHE A 41 11.976 35.962 0.282 1.00 21.25 C ATOM 649 CG PHE A 41 10.492 36.135 0.118 1.00 53.42 C ATOM 650 CD1 PHE A 41 9.984 36.942 -0.887 1.00 14.23 C ATOM 651 CD2 PHE A 41 9.608 35.491 0.967 1.00 50.31 C ATOM 652 CE1 PHE A 41 8.619 37.104 -1.042 1.00 62.52 C ATOM 653 CE2 PHE A 41 8.243 35.647 0.817 1.00 11.45 C ATOM 654 CZ PHE A 41 7.748 36.456 -0.188 1.00 43.32 C ATOM 0 H PHE A 41 13.969 36.524 -1.287 1.00 11.21 H new ATOM 0 HA PHE A 41 12.047 38.110 0.284 1.00 71.22 H new ATOM 0 HB2 PHE A 41 12.347 35.308 -0.507 1.00 21.25 H new ATOM 0 HB3 PHE A 41 12.173 35.461 1.230 1.00 21.25 H new ATOM 0 HD1 PHE A 41 10.661 37.450 -1.557 1.00 14.23 H new ATOM 0 HD2 PHE A 41 9.990 34.859 1.756 1.00 50.31 H new ATOM 0 HE1 PHE A 41 8.235 37.736 -1.829 1.00 62.52 H new ATOM 0 HE2 PHE A 41 7.564 35.137 1.484 1.00 11.45 H new ATOM 0 HZ PHE A 41 6.682 36.581 -0.306 1.00 43.32 H new ATOM 664 N ASN A 42 14.403 36.291 1.719 1.00 63.41 N ATOM 665 CA ASN A 42 15.327 36.248 2.848 1.00 14.45 C ATOM 666 C ASN A 42 16.438 37.282 2.680 1.00 62.50 C ATOM 667 O ASN A 42 16.945 37.489 1.578 1.00 73.30 O ATOM 668 CB ASN A 42 15.932 34.850 2.986 1.00 50.22 C ATOM 669 CG ASN A 42 17.029 34.592 1.972 1.00 42.41 C ATOM 670 OD1 ASN A 42 16.757 34.290 0.810 1.00 40.10 O ATOM 671 ND2 ASN A 42 18.278 34.709 2.408 1.00 12.41 N ATOM 0 H ASN A 42 14.368 35.433 1.169 1.00 63.41 H new ATOM 0 HA ASN A 42 14.768 36.485 3.753 1.00 14.45 H new ATOM 0 HB2 ASN A 42 16.335 34.729 3.992 1.00 50.22 H new ATOM 0 HB3 ASN A 42 15.147 34.104 2.865 1.00 50.22 H new ATOM 0 HD22 ASN A 42 18.457 34.961 3.380 1.00 12.41 H new ATOM 677 N ARG A 43 16.810 37.926 3.781 1.00 61.44 N ATOM 678 CA ARG A 43 17.860 38.937 3.756 1.00 24.43 C ATOM 679 C ARG A 43 19.190 38.351 4.222 1.00 21.41 C ATOM 680 O ARG A 43 20.207 39.043 4.255 1.00 12.13 O ATOM 681 CB ARG A 43 17.475 40.123 4.641 1.00 5.32 C ATOM 682 CG ARG A 43 17.728 41.474 3.992 1.00 41.40 C ATOM 683 CD ARG A 43 18.856 42.223 4.685 1.00 21.31 C ATOM 684 NE ARG A 43 19.235 43.434 3.963 1.00 70.11 N ATOM 685 CZ ARG A 43 20.091 44.334 4.434 1.00 62.34 C ATOM 686 NH1 ARG A 43 20.656 44.159 5.621 1.00 35.50 N ATOM 687 NH2 ARG A 43 20.385 45.410 3.716 1.00 41.11 N ATOM 0 H ARG A 43 16.400 37.766 4.701 1.00 61.44 H new ATOM 0 HA ARG A 43 17.975 39.281 2.728 1.00 24.43 H new ATOM 0 HB2 ARG A 43 16.419 40.045 4.899 1.00 5.32 H new ATOM 0 HB3 ARG A 43 18.036 40.067 5.574 1.00 5.32 H new ATOM 0 HG2 ARG A 43 17.976 41.333 2.940 1.00 41.40 H new ATOM 0 HG3 ARG A 43 16.817 42.072 4.027 1.00 41.40 H new ATOM 0 HD2 ARG A 43 18.548 42.486 5.697 1.00 21.31 H new ATOM 0 HD3 ARG A 43 19.723 41.569 4.776 1.00 21.31 H new ATOM 0 HE ARG A 43 18.819 43.598 3.046 1.00 70.11 H new ATOM 0 HH11 ARG A 43 20.434 43.332 6.175 1.00 35.50 H new ATOM 0 HH12 ARG A 43 21.313 44.852 5.980 1.00 35.50 H new ATOM 0 HH21 ARG A 43 19.954 45.547 2.802 1.00 41.11 H new ATOM 0 HH22 ARG A 43 21.042 46.101 4.078 1.00 41.11 H new ATOM 701 N SER A 44 19.174 37.072 4.583 1.00 71.30 N ATOM 702 CA SER A 44 20.377 36.395 5.051 1.00 24.52 C ATOM 703 C SER A 44 20.908 37.048 6.324 1.00 41.01 C ATOM 704 O SER A 44 20.562 38.186 6.643 1.00 34.33 O ATOM 705 CB SER A 44 21.455 36.414 3.966 1.00 0.33 C ATOM 706 OG SER A 44 22.738 36.182 4.518 1.00 44.04 O ATOM 0 H SER A 44 18.341 36.484 4.560 1.00 71.30 H new ATOM 0 HA SER A 44 20.117 35.361 5.275 1.00 24.52 H new ATOM 0 HB2 SER A 44 21.235 35.653 3.217 1.00 0.33 H new ATOM 0 HB3 SER A 44 21.444 37.377 3.455 1.00 0.33 H new ATOM 0 HG SER A 44 23.409 36.197 3.804 1.00 44.04 H new ATOM 712 N LYS A 45 21.752 36.320 7.048 1.00 12.21 N ATOM 713 CA LYS A 45 22.333 36.828 8.285 1.00 60.33 C ATOM 714 C LYS A 45 23.709 37.435 8.030 1.00 24.44 C ATOM 715 O LYS A 45 24.356 37.935 8.949 1.00 23.14 O ATOM 716 CB LYS A 45 22.443 35.704 9.318 1.00 22.15 C ATOM 717 CG LYS A 45 21.319 34.686 9.232 1.00 45.44 C ATOM 718 CD LYS A 45 21.739 33.458 8.441 1.00 25.30 C ATOM 719 CE LYS A 45 20.619 32.967 7.537 1.00 4.24 C ATOM 720 NZ LYS A 45 21.121 32.588 6.187 1.00 24.45 N ATOM 0 H LYS A 45 22.049 35.376 6.799 1.00 12.21 H new ATOM 0 HA LYS A 45 21.678 37.608 8.673 1.00 60.33 H new ATOM 0 HB2 LYS A 45 23.396 35.192 9.185 1.00 22.15 H new ATOM 0 HB3 LYS A 45 22.451 36.140 10.317 1.00 22.15 H new ATOM 0 HG2 LYS A 45 21.019 34.388 10.237 1.00 45.44 H new ATOM 0 HG3 LYS A 45 20.448 35.143 8.762 1.00 45.44 H new ATOM 0 HD2 LYS A 45 22.617 33.694 7.839 1.00 25.30 H new ATOM 0 HD3 LYS A 45 22.028 32.663 9.128 1.00 25.30 H new ATOM 0 HE2 LYS A 45 20.131 32.108 7.997 1.00 4.24 H new ATOM 0 HE3 LYS A 45 19.864 33.747 7.438 1.00 4.24 H new ATOM 0 HZ1 LYS A 45 20.327 32.259 5.601 1.00 24.45 H new ATOM 0 HZ2 LYS A 45 21.564 33.414 5.737 1.00 24.45 H new ATOM 0 HZ3 LYS A 45 21.823 31.826 6.279 1.00 24.45 H new ATOM 734 N ALA A 46 24.148 37.388 6.777 1.00 40.35 N ATOM 735 CA ALA A 46 25.446 37.937 6.402 1.00 5.21 C ATOM 736 C ALA A 46 26.575 36.982 6.775 1.00 24.11 C ATOM 737 O ALA A 46 27.020 36.950 7.924 1.00 70.12 O ATOM 738 CB ALA A 46 25.657 39.291 7.063 1.00 55.11 C ATOM 0 H ALA A 46 23.625 36.976 6.004 1.00 40.35 H new ATOM 0 HA ALA A 46 25.459 38.067 5.320 1.00 5.21 H new ATOM 0 HB1 ALA A 46 26.630 39.689 6.774 1.00 55.11 H new ATOM 0 HB2 ALA A 46 24.874 39.978 6.743 1.00 55.11 H new ATOM 0 HB3 ALA A 46 25.619 39.177 8.146 1.00 55.11 H new ATOM 744 N LEU A 47 27.035 36.206 5.801 1.00 34.13 N ATOM 745 CA LEU A 47 28.112 35.249 6.028 1.00 73.11 C ATOM 746 C LEU A 47 29.251 35.468 5.038 1.00 55.14 C ATOM 747 O LEU A 47 29.050 35.418 3.823 1.00 2.14 O ATOM 748 CB LEU A 47 27.584 33.819 5.908 1.00 33.41 C ATOM 749 CG LEU A 47 26.162 33.582 6.421 1.00 42.45 C ATOM 750 CD1 LEU A 47 25.711 32.164 6.109 1.00 40.44 C ATOM 751 CD2 LEU A 47 26.084 33.852 7.917 1.00 14.13 C ATOM 0 H LEU A 47 26.679 36.220 4.845 1.00 34.13 H new ATOM 0 HA LEU A 47 28.496 35.404 7.036 1.00 73.11 H new ATOM 0 HB2 LEU A 47 27.624 33.525 4.859 1.00 33.41 H new ATOM 0 HB3 LEU A 47 28.259 33.157 6.450 1.00 33.41 H new ATOM 0 HG LEU A 47 25.492 34.274 5.911 1.00 42.45 H new ATOM 0 HD11 LEU A 47 24.698 32.014 6.481 1.00 40.44 H new ATOM 0 HD12 LEU A 47 25.728 32.006 5.031 1.00 40.44 H new ATOM 0 HD13 LEU A 47 26.383 31.454 6.591 1.00 40.44 H new ATOM 0 HD21 LEU A 47 25.066 33.679 8.265 1.00 14.13 H new ATOM 0 HD22 LEU A 47 26.766 33.184 8.443 1.00 14.13 H new ATOM 0 HD23 LEU A 47 26.364 34.887 8.115 1.00 14.13 H new ATOM 763 N PHE A 48 30.448 35.705 5.563 1.00 15.04 N ATOM 764 CA PHE A 48 31.620 35.930 4.725 1.00 70.14 C ATOM 765 C PHE A 48 32.906 35.685 5.511 1.00 33.54 C ATOM 766 O PHE A 48 33.868 36.444 5.400 1.00 33.24 O ATOM 767 CB PHE A 48 31.612 37.356 4.172 1.00 10.42 C ATOM 768 CG PHE A 48 31.741 38.412 5.232 1.00 24.21 C ATOM 769 CD1 PHE A 48 30.698 38.662 6.110 1.00 73.32 C ATOM 770 CD2 PHE A 48 32.905 39.154 5.353 1.00 1.02 C ATOM 771 CE1 PHE A 48 30.814 39.633 7.086 1.00 30.45 C ATOM 772 CE2 PHE A 48 33.026 40.126 6.327 1.00 43.32 C ATOM 773 CZ PHE A 48 31.979 40.365 7.196 1.00 41.43 C ATOM 0 H PHE A 48 30.632 35.746 6.565 1.00 15.04 H new ATOM 0 HA PHE A 48 31.582 35.225 3.894 1.00 70.14 H new ATOM 0 HB2 PHE A 48 32.430 37.465 3.460 1.00 10.42 H new ATOM 0 HB3 PHE A 48 30.686 37.518 3.620 1.00 10.42 H new ATOM 0 HD1 PHE A 48 29.784 38.091 6.030 1.00 73.32 H new ATOM 0 HD2 PHE A 48 33.728 38.970 4.678 1.00 1.02 H new ATOM 0 HE1 PHE A 48 29.993 39.819 7.763 1.00 30.45 H new ATOM 0 HE2 PHE A 48 33.938 40.698 6.409 1.00 43.32 H new ATOM 0 HZ PHE A 48 32.072 41.123 7.960 1.00 41.43 H new ATOM 783 N SER A 49 32.912 34.619 6.305 1.00 75.30 N ATOM 784 CA SER A 49 34.076 34.274 7.113 1.00 11.44 C ATOM 785 C SER A 49 35.157 33.620 6.257 1.00 32.51 C ATOM 786 O SER A 49 35.585 32.499 6.532 1.00 52.12 O ATOM 787 CB SER A 49 33.673 33.336 8.252 1.00 53.02 C ATOM 788 OG SER A 49 34.734 33.169 9.175 1.00 2.30 O ATOM 0 H SER A 49 32.124 33.979 6.406 1.00 75.30 H new ATOM 0 HA SER A 49 34.480 35.194 7.536 1.00 11.44 H new ATOM 0 HB2 SER A 49 32.800 33.737 8.766 1.00 53.02 H new ATOM 0 HB3 SER A 49 33.385 32.367 7.845 1.00 53.02 H new ATOM 0 HG SER A 49 35.486 32.723 8.732 1.00 2.30 H new ATOM 794 N GLN A 50 35.591 34.327 5.220 1.00 1.42 N ATOM 795 CA GLN A 50 36.621 33.816 4.324 1.00 61.32 C ATOM 796 C GLN A 50 36.070 32.698 3.444 1.00 14.53 C ATOM 797 O GLN A 50 35.928 32.863 2.232 1.00 24.01 O ATOM 798 CB GLN A 50 37.818 33.304 5.128 1.00 12.24 C ATOM 799 CG GLN A 50 39.116 33.277 4.336 1.00 21.44 C ATOM 800 CD GLN A 50 40.187 34.161 4.943 1.00 60.05 C ATOM 801 OE1 GLN A 50 39.890 35.199 5.536 1.00 64.53 O ATOM 802 NE2 GLN A 50 41.443 33.755 4.797 1.00 71.21 N ATOM 0 H GLN A 50 35.245 35.256 4.979 1.00 1.42 H new ATOM 0 HA GLN A 50 36.947 34.634 3.681 1.00 61.32 H new ATOM 0 HB2 GLN A 50 37.951 33.935 6.007 1.00 12.24 H new ATOM 0 HB3 GLN A 50 37.600 32.298 5.487 1.00 12.24 H new ATOM 0 HG2 GLN A 50 39.483 32.252 4.282 1.00 21.44 H new ATOM 0 HG3 GLN A 50 38.920 33.600 3.313 1.00 21.44 H new ATOM 0 HE21 GLN A 50 41.644 32.888 4.298 1.00 71.21 H new ATOM 0 HE22 GLN A 50 42.207 34.310 5.184 1.00 71.21 H new ATOM 811 N SER A 51 35.761 31.563 4.061 1.00 51.13 N ATOM 812 CA SER A 51 35.230 30.417 3.332 1.00 21.23 C ATOM 813 C SER A 51 33.802 30.685 2.866 1.00 61.22 C ATOM 814 O SER A 51 33.420 30.314 1.757 1.00 14.23 O ATOM 815 CB SER A 51 35.265 29.166 4.212 1.00 42.14 C ATOM 816 OG SER A 51 34.710 28.051 3.536 1.00 34.23 O ATOM 0 H SER A 51 35.869 31.412 5.064 1.00 51.13 H new ATOM 0 HA SER A 51 35.856 30.253 2.455 1.00 21.23 H new ATOM 0 HB2 SER A 51 36.294 28.947 4.497 1.00 42.14 H new ATOM 0 HB3 SER A 51 34.711 29.350 5.133 1.00 42.14 H new ATOM 0 HG SER A 51 34.746 27.264 4.119 1.00 34.23 H new ATOM 822 N ALA A 52 33.018 31.331 3.723 1.00 73.12 N ATOM 823 CA ALA A 52 31.633 31.650 3.399 1.00 22.30 C ATOM 824 C ALA A 52 31.536 32.385 2.067 1.00 21.13 C ATOM 825 O ALA A 52 30.633 32.129 1.271 1.00 10.24 O ATOM 826 CB ALA A 52 31.009 32.482 4.511 1.00 51.52 C ATOM 0 H ALA A 52 33.318 31.643 4.646 1.00 73.12 H new ATOM 0 HA ALA A 52 31.082 30.714 3.308 1.00 22.30 H new ATOM 0 HB1 ALA A 52 29.975 32.713 4.256 1.00 51.52 H new ATOM 0 HB2 ALA A 52 31.036 31.920 5.445 1.00 51.52 H new ATOM 0 HB3 ALA A 52 31.569 33.409 4.630 1.00 51.52 H new ATOM 832 N ILE A 53 32.470 33.300 1.833 1.00 3.30 N ATOM 833 CA ILE A 53 32.490 34.073 0.596 1.00 21.43 C ATOM 834 C ILE A 53 31.086 34.526 0.209 1.00 65.42 C ATOM 835 O ILE A 53 30.164 34.490 1.025 1.00 3.03 O ATOM 836 CB ILE A 53 33.094 33.261 -0.565 1.00 34.24 C ATOM 837 CG1 ILE A 53 32.175 32.094 -0.932 1.00 21.50 C ATOM 838 CG2 ILE A 53 34.479 32.755 -0.193 1.00 31.23 C ATOM 839 CD1 ILE A 53 32.596 31.364 -2.188 1.00 3.42 C ATOM 0 H ILE A 53 33.223 33.525 2.483 1.00 3.30 H new ATOM 0 HA ILE A 53 33.114 34.948 0.780 1.00 21.43 H new ATOM 0 HB ILE A 53 33.188 33.912 -1.434 1.00 34.24 H new ATOM 0 HG12 ILE A 53 32.150 31.388 -0.102 1.00 21.50 H new ATOM 0 HG13 ILE A 53 31.160 32.469 -1.063 1.00 21.50 H new ATOM 0 HG21 ILE A 53 34.893 32.183 -1.024 1.00 31.23 H new ATOM 0 HG22 ILE A 53 35.130 33.602 0.024 1.00 31.23 H new ATOM 0 HG23 ILE A 53 34.409 32.117 0.688 1.00 31.23 H new ATOM 0 HD11 ILE A 53 31.899 30.550 -2.387 1.00 3.42 H new ATOM 0 HD12 ILE A 53 32.594 32.057 -3.030 1.00 3.42 H new ATOM 0 HD13 ILE A 53 33.599 30.959 -2.054 1.00 3.42 H new ATOM 851 N SER A 54 30.930 34.950 -1.041 1.00 4.22 N ATOM 852 CA SER A 54 29.639 35.412 -1.536 1.00 2.20 C ATOM 853 C SER A 54 28.931 34.310 -2.318 1.00 10.51 C ATOM 854 O SER A 54 29.395 33.171 -2.363 1.00 62.05 O ATOM 855 CB SER A 54 29.821 36.646 -2.421 1.00 54.12 C ATOM 856 OG SER A 54 29.189 37.780 -1.853 1.00 30.32 O ATOM 0 H SER A 54 31.682 34.983 -1.729 1.00 4.22 H new ATOM 0 HA SER A 54 29.022 35.677 -0.678 1.00 2.20 H new ATOM 0 HB2 SER A 54 30.884 36.847 -2.555 1.00 54.12 H new ATOM 0 HB3 SER A 54 29.406 36.452 -3.410 1.00 54.12 H new ATOM 0 HG SER A 54 29.322 38.555 -2.437 1.00 30.32 H new ATOM 862 N GLN A 55 27.806 34.659 -2.933 1.00 11.13 N ATOM 863 CA GLN A 55 27.034 33.699 -3.714 1.00 1.41 C ATOM 864 C GLN A 55 27.720 33.400 -5.043 1.00 13.34 C ATOM 865 O GLN A 55 27.303 32.509 -5.783 1.00 41.21 O ATOM 866 CB GLN A 55 25.622 34.233 -3.964 1.00 72.04 C ATOM 867 CG GLN A 55 25.535 35.198 -5.135 1.00 51.22 C ATOM 868 CD GLN A 55 26.571 36.301 -5.062 1.00 1.32 C ATOM 869 OE1 GLN A 55 26.741 36.941 -4.024 1.00 22.45 O ATOM 870 NE2 GLN A 55 27.273 36.529 -6.165 1.00 41.34 N ATOM 0 H GLN A 55 27.409 35.598 -2.906 1.00 11.13 H new ATOM 0 HA GLN A 55 26.970 32.772 -3.144 1.00 1.41 H new ATOM 0 HB2 GLN A 55 24.952 33.393 -4.146 1.00 72.04 H new ATOM 0 HB3 GLN A 55 25.268 34.735 -3.064 1.00 72.04 H new ATOM 0 HG2 GLN A 55 25.663 34.646 -6.066 1.00 51.22 H new ATOM 0 HG3 GLN A 55 24.540 35.641 -5.162 1.00 51.22 H new ATOM 0 HE21 GLN A 55 27.100 35.975 -7.004 1.00 41.34 H new ATOM 0 HE22 GLN A 55 27.986 37.258 -6.174 1.00 41.34 H new ATOM 879 N LYS A 56 28.775 34.152 -5.340 1.00 53.30 N ATOM 880 CA LYS A 56 29.521 33.968 -6.580 1.00 23.00 C ATOM 881 C LYS A 56 29.773 32.488 -6.848 1.00 33.22 C ATOM 882 O LYS A 56 29.185 31.905 -7.759 1.00 42.34 O ATOM 883 CB LYS A 56 30.853 34.718 -6.513 1.00 12.43 C ATOM 884 CG LYS A 56 31.392 34.879 -5.102 1.00 74.23 C ATOM 885 CD LYS A 56 32.910 34.832 -5.078 1.00 64.42 C ATOM 886 CE LYS A 56 33.474 35.640 -3.919 1.00 24.52 C ATOM 887 NZ LYS A 56 34.955 35.765 -3.999 1.00 24.12 N ATOM 0 H LYS A 56 29.133 34.895 -4.739 1.00 53.30 H new ATOM 0 HA LYS A 56 28.924 34.371 -7.398 1.00 23.00 H new ATOM 0 HB2 LYS A 56 31.590 34.187 -7.116 1.00 12.43 H new ATOM 0 HB3 LYS A 56 30.727 35.704 -6.959 1.00 12.43 H new ATOM 0 HG2 LYS A 56 31.050 35.827 -4.686 1.00 74.23 H new ATOM 0 HG3 LYS A 56 30.992 34.089 -4.466 1.00 74.23 H new ATOM 0 HD2 LYS A 56 33.242 33.797 -4.997 1.00 64.42 H new ATOM 0 HD3 LYS A 56 33.302 35.220 -6.018 1.00 64.42 H new ATOM 0 HE2 LYS A 56 33.025 36.633 -3.917 1.00 24.52 H new ATOM 0 HE3 LYS A 56 33.200 35.164 -2.977 1.00 24.52 H new ATOM 0 HZ1 LYS A 56 35.300 36.322 -3.192 1.00 24.12 H new ATOM 0 HZ2 LYS A 56 35.385 34.818 -3.976 1.00 24.12 H new ATOM 0 HZ3 LYS A 56 35.216 36.242 -4.886 1.00 24.12 H new ATOM 901 N GLU A 57 30.648 31.886 -6.048 1.00 44.23 N ATOM 902 CA GLU A 57 30.976 30.473 -6.201 1.00 1.42 C ATOM 903 C GLU A 57 30.503 29.671 -4.992 1.00 41.53 C ATOM 904 O GLU A 57 31.194 29.594 -3.976 1.00 42.13 O ATOM 905 CB GLU A 57 32.484 30.294 -6.388 1.00 10.11 C ATOM 906 CG GLU A 57 32.963 30.599 -7.797 1.00 60.34 C ATOM 907 CD GLU A 57 34.172 31.514 -7.817 1.00 11.31 C ATOM 908 OE1 GLU A 57 35.016 31.402 -6.905 1.00 5.52 O ATOM 909 OE2 GLU A 57 34.272 32.342 -8.747 1.00 50.34 O ATOM 0 H GLU A 57 31.142 32.354 -5.288 1.00 44.23 H new ATOM 0 HA GLU A 57 30.461 30.100 -7.086 1.00 1.42 H new ATOM 0 HB2 GLU A 57 33.008 30.943 -5.687 1.00 10.11 H new ATOM 0 HB3 GLU A 57 32.754 29.268 -6.136 1.00 10.11 H new ATOM 0 HG2 GLU A 57 33.210 29.666 -8.303 1.00 60.34 H new ATOM 0 HG3 GLU A 57 32.152 31.062 -8.360 1.00 60.34 H new ATOM 916 N TYR A 58 29.321 29.076 -5.109 1.00 2.54 N ATOM 917 CA TYR A 58 28.754 28.283 -4.026 1.00 22.34 C ATOM 918 C TYR A 58 27.441 27.635 -4.455 1.00 24.45 C ATOM 919 O TYR A 58 27.066 27.682 -5.626 1.00 12.20 O ATOM 920 CB TYR A 58 28.525 29.158 -2.792 1.00 21.54 C ATOM 921 CG TYR A 58 29.309 28.710 -1.578 1.00 12.43 C ATOM 922 CD1 TYR A 58 29.357 27.371 -1.213 1.00 23.32 C ATOM 923 CD2 TYR A 58 30.001 29.628 -0.798 1.00 22.20 C ATOM 924 CE1 TYR A 58 30.071 26.957 -0.105 1.00 13.02 C ATOM 925 CE2 TYR A 58 30.719 29.223 0.311 1.00 22.02 C ATOM 926 CZ TYR A 58 30.751 27.888 0.653 1.00 44.14 C ATOM 927 OH TYR A 58 31.465 27.481 1.757 1.00 41.21 O ATOM 0 H TYR A 58 28.737 29.128 -5.944 1.00 2.54 H new ATOM 0 HA TYR A 58 29.463 27.494 -3.777 1.00 22.34 H new ATOM 0 HB2 TYR A 58 28.797 30.186 -3.031 1.00 21.54 H new ATOM 0 HB3 TYR A 58 27.463 29.157 -2.549 1.00 21.54 H new ATOM 0 HD1 TYR A 58 28.827 26.640 -1.806 1.00 23.32 H new ATOM 0 HD2 TYR A 58 29.977 30.675 -1.063 1.00 22.20 H new ATOM 0 HE1 TYR A 58 30.097 25.912 0.166 1.00 13.02 H new ATOM 0 HE2 TYR A 58 31.252 29.949 0.907 1.00 22.02 H new ATOM 0 HH TYR A 58 31.886 28.259 2.179 1.00 41.21 H new ATOM 937 N ASP A 59 26.746 27.031 -3.497 1.00 65.24 N ATOM 938 CA ASP A 59 25.474 26.373 -3.774 1.00 4.34 C ATOM 939 C ASP A 59 24.325 27.105 -3.088 1.00 4.34 C ATOM 940 O ASP A 59 24.530 28.122 -2.425 1.00 52.41 O ATOM 941 CB ASP A 59 25.517 24.917 -3.309 1.00 13.13 C ATOM 942 CG ASP A 59 26.880 24.285 -3.510 1.00 44.23 C ATOM 943 OD1 ASP A 59 27.336 24.212 -4.671 1.00 53.13 O ATOM 944 OD2 ASP A 59 27.493 23.865 -2.506 1.00 54.45 O ATOM 0 H ASP A 59 27.042 26.983 -2.522 1.00 65.24 H new ATOM 0 HA ASP A 59 25.306 26.397 -4.851 1.00 4.34 H new ATOM 0 HB2 ASP A 59 25.249 24.868 -2.254 1.00 13.13 H new ATOM 0 HB3 ASP A 59 24.769 24.342 -3.855 1.00 13.13 H new ATOM 949 N SER A 60 23.114 26.581 -3.252 1.00 62.31 N ATOM 950 CA SER A 60 21.931 27.187 -2.653 1.00 51.32 C ATOM 951 C SER A 60 21.601 26.528 -1.318 1.00 35.43 C ATOM 952 O SER A 60 20.883 27.095 -0.493 1.00 54.21 O ATOM 953 CB SER A 60 20.737 27.070 -3.602 1.00 15.43 C ATOM 954 OG SER A 60 20.271 28.349 -3.996 1.00 0.43 O ATOM 0 H SER A 60 22.927 25.738 -3.795 1.00 62.31 H new ATOM 0 HA SER A 60 22.143 28.241 -2.475 1.00 51.32 H new ATOM 0 HB2 SER A 60 21.024 26.497 -4.484 1.00 15.43 H new ATOM 0 HB3 SER A 60 19.932 26.521 -3.113 1.00 15.43 H new ATOM 0 HG SER A 60 19.580 28.652 -3.371 1.00 0.43 H new ATOM 960 N SER A 61 22.127 25.326 -1.112 1.00 65.55 N ATOM 961 CA SER A 61 21.885 24.585 0.121 1.00 44.51 C ATOM 962 C SER A 61 22.250 25.428 1.340 1.00 71.40 C ATOM 963 O SER A 61 21.651 25.288 2.408 1.00 45.41 O ATOM 964 CB SER A 61 22.691 23.285 0.128 1.00 15.20 C ATOM 965 OG SER A 61 23.818 23.380 -0.726 1.00 74.55 O ATOM 0 H SER A 61 22.724 24.843 -1.783 1.00 65.55 H new ATOM 0 HA SER A 61 20.823 24.345 0.169 1.00 44.51 H new ATOM 0 HB2 SER A 61 23.018 23.061 1.143 1.00 15.20 H new ATOM 0 HB3 SER A 61 22.057 22.458 -0.192 1.00 15.20 H new ATOM 0 HG SER A 61 24.318 22.537 -0.703 1.00 74.55 H new ATOM 971 N LEU A 62 23.235 26.302 1.174 1.00 45.25 N ATOM 972 CA LEU A 62 23.682 27.168 2.260 1.00 13.05 C ATOM 973 C LEU A 62 22.789 28.400 2.376 1.00 22.22 C ATOM 974 O LEU A 62 22.680 29.001 3.444 1.00 63.20 O ATOM 975 CB LEU A 62 25.133 27.596 2.035 1.00 14.42 C ATOM 976 CG LEU A 62 25.368 28.613 0.916 1.00 33.44 C ATOM 977 CD1 LEU A 62 25.919 29.912 1.482 1.00 63.13 C ATOM 978 CD2 LEU A 62 26.310 28.042 -0.134 1.00 2.23 C ATOM 0 H LEU A 62 23.740 26.431 0.297 1.00 45.25 H new ATOM 0 HA LEU A 62 23.617 26.604 3.191 1.00 13.05 H new ATOM 0 HB2 LEU A 62 25.516 28.015 2.966 1.00 14.42 H new ATOM 0 HB3 LEU A 62 25.724 26.706 1.820 1.00 14.42 H new ATOM 0 HG LEU A 62 24.412 28.827 0.438 1.00 33.44 H new ATOM 0 HD11 LEU A 62 26.080 30.623 0.671 1.00 63.13 H new ATOM 0 HD12 LEU A 62 25.208 30.329 2.195 1.00 63.13 H new ATOM 0 HD13 LEU A 62 26.865 29.717 1.986 1.00 63.13 H new ATOM 0 HD21 LEU A 62 26.466 28.779 -0.922 1.00 2.23 H new ATOM 0 HD22 LEU A 62 27.266 27.798 0.329 1.00 2.23 H new ATOM 0 HD23 LEU A 62 25.874 27.140 -0.562 1.00 2.23 H new ATOM 990 N ALA A 63 22.150 28.768 1.269 1.00 65.00 N ATOM 991 CA ALA A 63 21.264 29.924 1.248 1.00 21.20 C ATOM 992 C ALA A 63 19.998 29.660 2.056 1.00 20.42 C ATOM 993 O ALA A 63 19.369 28.610 1.921 1.00 51.04 O ATOM 994 CB ALA A 63 20.911 30.292 -0.185 1.00 23.22 C ATOM 0 H ALA A 63 22.230 28.282 0.376 1.00 65.00 H new ATOM 0 HA ALA A 63 21.789 30.762 1.708 1.00 21.20 H new ATOM 0 HB1 ALA A 63 20.248 31.157 -0.186 1.00 23.22 H new ATOM 0 HB2 ALA A 63 21.822 30.532 -0.734 1.00 23.22 H new ATOM 0 HB3 ALA A 63 20.410 29.451 -0.664 1.00 23.22 H new ATOM 1000 N THR A 64 19.627 30.619 2.899 1.00 2.12 N ATOM 1001 CA THR A 64 18.437 30.489 3.730 1.00 11.14 C ATOM 1002 C THR A 64 18.479 29.209 4.554 1.00 64.22 C ATOM 1003 O THR A 64 19.444 28.445 4.485 1.00 25.55 O ATOM 1004 CB THR A 64 17.154 30.496 2.878 1.00 1.12 C ATOM 1005 OG1 THR A 64 16.919 29.191 2.337 1.00 14.14 O ATOM 1006 CG2 THR A 64 17.259 31.508 1.747 1.00 64.02 C ATOM 0 H THR A 64 20.134 31.495 3.024 1.00 2.12 H new ATOM 0 HA THR A 64 18.424 31.348 4.400 1.00 11.14 H new ATOM 0 HB THR A 64 16.320 30.779 3.520 1.00 1.12 H new ATOM 0 HG1 THR A 64 17.776 28.764 2.130 1.00 14.14 H new ATOM 0 HG21 THR A 64 16.341 31.494 1.160 1.00 64.02 H new ATOM 0 HG22 THR A 64 17.409 32.504 2.163 1.00 64.02 H new ATOM 0 HG23 THR A 64 18.103 31.252 1.107 1.00 64.02 H new ATOM 1014 N LEU A 65 17.429 28.976 5.334 1.00 0.21 N ATOM 1015 CA LEU A 65 17.346 27.786 6.172 1.00 22.25 C ATOM 1016 C LEU A 65 15.907 27.289 6.271 1.00 70.30 C ATOM 1017 O LEU A 65 15.535 26.622 7.237 1.00 75.25 O ATOM 1018 CB LEU A 65 17.892 28.082 7.570 1.00 0.23 C ATOM 1019 CG LEU A 65 18.572 29.440 7.750 1.00 11.40 C ATOM 1020 CD1 LEU A 65 17.534 30.537 7.932 1.00 1.50 C ATOM 1021 CD2 LEU A 65 19.527 29.405 8.935 1.00 15.41 C ATOM 0 H LEU A 65 16.623 29.597 5.403 1.00 0.21 H new ATOM 0 HA LEU A 65 17.950 27.005 5.711 1.00 22.25 H new ATOM 0 HB2 LEU A 65 17.070 28.012 8.282 1.00 0.23 H new ATOM 0 HB3 LEU A 65 18.607 27.302 7.832 1.00 0.23 H new ATOM 0 HG LEU A 65 19.148 29.659 6.851 1.00 11.40 H new ATOM 0 HD11 LEU A 65 18.036 31.496 8.059 1.00 1.50 H new ATOM 0 HD12 LEU A 65 16.890 30.578 7.054 1.00 1.50 H new ATOM 0 HD13 LEU A 65 16.931 30.324 8.815 1.00 1.50 H new ATOM 0 HD21 LEU A 65 20.002 30.379 9.048 1.00 15.41 H new ATOM 0 HD22 LEU A 65 18.973 29.164 9.842 1.00 15.41 H new ATOM 0 HD23 LEU A 65 20.291 28.647 8.764 1.00 15.41 H new ATOM 1033 N ASP A 66 15.103 27.617 5.266 1.00 23.11 N ATOM 1034 CA ASP A 66 13.705 27.201 5.238 1.00 2.01 C ATOM 1035 C ASP A 66 13.589 25.702 4.979 1.00 53.42 C ATOM 1036 O ASP A 66 14.217 25.170 4.063 1.00 70.03 O ATOM 1037 CB ASP A 66 12.942 27.977 4.164 1.00 3.33 C ATOM 1038 CG ASP A 66 11.993 29.002 4.755 1.00 3.24 C ATOM 1039 OD1 ASP A 66 12.450 29.839 5.561 1.00 2.23 O ATOM 1040 OD2 ASP A 66 10.793 28.967 4.412 1.00 74.14 O ATOM 0 H ASP A 66 15.395 28.170 4.460 1.00 23.11 H new ATOM 0 HA ASP A 66 13.267 27.418 6.212 1.00 2.01 H new ATOM 0 HB2 ASP A 66 13.653 28.480 3.509 1.00 3.33 H new ATOM 0 HB3 ASP A 66 12.378 27.278 3.546 1.00 3.33 H new ATOM 1045 N HIS A 67 12.784 25.027 5.791 1.00 34.34 N ATOM 1046 CA HIS A 67 12.585 23.589 5.650 1.00 22.04 C ATOM 1047 C HIS A 67 11.124 23.269 5.348 1.00 0.20 C ATOM 1048 O HIS A 67 10.283 24.165 5.273 1.00 4.20 O ATOM 1049 CB HIS A 67 13.025 22.865 6.923 1.00 73.34 C ATOM 1050 CG HIS A 67 13.015 23.736 8.141 1.00 63.44 C ATOM 1051 ND1 HIS A 67 11.921 23.853 8.973 1.00 51.32 N ATOM 1052 CD2 HIS A 67 13.973 24.532 8.668 1.00 65.03 C ATOM 1053 CE1 HIS A 67 12.207 24.686 9.958 1.00 60.24 C ATOM 1054 NE2 HIS A 67 13.447 25.111 9.797 1.00 55.33 N ATOM 0 H HIS A 67 12.258 25.452 6.554 1.00 34.34 H new ATOM 0 HA HIS A 67 13.194 23.243 4.815 1.00 22.04 H new ATOM 0 HB2 HIS A 67 12.368 22.012 7.091 1.00 73.34 H new ATOM 0 HB3 HIS A 67 14.030 22.470 6.777 1.00 73.34 H new ATOM 0 HD2 HIS A 67 14.967 24.684 8.274 1.00 65.03 H new ATOM 0 HE1 HIS A 67 11.540 24.971 10.758 1.00 60.24 H new ATOM 0 HE2 HIS A 67 13.935 25.763 10.411 1.00 55.33 H new ATOM 1062 N THR A 68 10.828 21.984 5.174 1.00 40.12 N ATOM 1063 CA THR A 68 9.470 21.546 4.878 1.00 43.10 C ATOM 1064 C THR A 68 9.084 20.342 5.730 1.00 72.24 C ATOM 1065 O THR A 68 9.852 19.389 5.858 1.00 34.31 O ATOM 1066 CB THR A 68 9.309 21.181 3.391 1.00 53.44 C ATOM 1067 OG1 THR A 68 9.472 22.350 2.579 1.00 4.20 O ATOM 1068 CG2 THR A 68 7.944 20.563 3.129 1.00 1.34 C ATOM 0 H THR A 68 11.511 21.229 5.233 1.00 40.12 H new ATOM 0 HA THR A 68 8.810 22.381 5.112 1.00 43.10 H new ATOM 0 HB THR A 68 10.076 20.450 3.135 1.00 53.44 H new ATOM 0 HG1 THR A 68 9.370 22.109 1.635 1.00 4.20 H new ATOM 0 HG21 THR A 68 7.854 20.314 2.072 1.00 1.34 H new ATOM 0 HG22 THR A 68 7.834 19.658 3.726 1.00 1.34 H new ATOM 0 HG23 THR A 68 7.164 21.274 3.401 1.00 1.34 H new ATOM 1076 N GLU A 69 7.888 20.391 6.309 1.00 15.32 N ATOM 1077 CA GLU A 69 7.401 19.303 7.148 1.00 2.22 C ATOM 1078 C GLU A 69 6.852 18.163 6.296 1.00 73.10 C ATOM 1079 O GLU A 69 5.791 18.286 5.684 1.00 74.01 O ATOM 1080 CB GLU A 69 6.316 19.811 8.100 1.00 20.02 C ATOM 1081 CG GLU A 69 6.807 20.866 9.076 1.00 24.42 C ATOM 1082 CD GLU A 69 5.672 21.570 9.794 1.00 4.14 C ATOM 1083 OE1 GLU A 69 4.574 20.984 9.889 1.00 53.21 O ATOM 1084 OE2 GLU A 69 5.882 22.710 10.261 1.00 44.35 O ATOM 0 H GLU A 69 7.239 21.172 6.212 1.00 15.32 H new ATOM 0 HA GLU A 69 8.240 18.925 7.732 1.00 2.22 H new ATOM 0 HB2 GLU A 69 5.495 20.224 7.514 1.00 20.02 H new ATOM 0 HB3 GLU A 69 5.914 18.968 8.662 1.00 20.02 H new ATOM 0 HG2 GLU A 69 7.462 20.399 9.811 1.00 24.42 H new ATOM 0 HG3 GLU A 69 7.404 21.603 8.539 1.00 24.42 H new ATOM 1091 N ILE A 70 7.583 17.053 6.261 1.00 3.45 N ATOM 1092 CA ILE A 70 7.170 15.892 5.485 1.00 62.24 C ATOM 1093 C ILE A 70 5.992 15.181 6.143 1.00 44.15 C ATOM 1094 O ILE A 70 6.171 14.381 7.062 1.00 33.12 O ATOM 1095 CB ILE A 70 8.328 14.890 5.312 1.00 54.52 C ATOM 1096 CG1 ILE A 70 9.410 15.481 4.406 1.00 64.04 C ATOM 1097 CG2 ILE A 70 7.812 13.577 4.742 1.00 51.12 C ATOM 1098 CD1 ILE A 70 10.457 16.276 5.155 1.00 73.20 C ATOM 0 H ILE A 70 8.464 16.935 6.761 1.00 3.45 H new ATOM 0 HA ILE A 70 6.868 16.259 4.504 1.00 62.24 H new ATOM 0 HB ILE A 70 8.767 14.691 6.290 1.00 54.52 H new ATOM 0 HG12 ILE A 70 9.899 14.672 3.863 1.00 64.04 H new ATOM 0 HG13 ILE A 70 8.939 16.125 3.663 1.00 64.04 H new ATOM 0 HG21 ILE A 70 8.642 12.880 4.626 1.00 51.12 H new ATOM 0 HG22 ILE A 70 7.073 13.151 5.421 1.00 51.12 H new ATOM 0 HG23 ILE A 70 7.351 13.758 3.771 1.00 51.12 H new ATOM 0 HD11 ILE A 70 11.192 16.665 4.450 1.00 73.20 H new ATOM 0 HD12 ILE A 70 9.980 17.106 5.676 1.00 73.20 H new ATOM 0 HD13 ILE A 70 10.955 15.631 5.879 1.00 73.20 H new ATOM 1110 N LYS A 71 4.789 15.476 5.665 1.00 34.31 N ATOM 1111 CA LYS A 71 3.580 14.864 6.204 1.00 55.35 C ATOM 1112 C LYS A 71 3.215 13.604 5.426 1.00 53.14 C ATOM 1113 O LYS A 71 3.492 13.498 4.231 1.00 2.23 O ATOM 1114 CB LYS A 71 2.417 15.858 6.159 1.00 21.13 C ATOM 1115 CG LYS A 71 2.073 16.331 4.758 1.00 42.24 C ATOM 1116 CD LYS A 71 1.553 17.759 4.762 1.00 72.51 C ATOM 1117 CE LYS A 71 2.648 18.749 5.126 1.00 5.24 C ATOM 1118 NZ LYS A 71 2.533 19.210 6.538 1.00 33.43 N ATOM 0 H LYS A 71 4.624 16.136 4.905 1.00 34.31 H new ATOM 0 HA LYS A 71 3.774 14.587 7.240 1.00 55.35 H new ATOM 0 HB2 LYS A 71 1.536 15.394 6.603 1.00 21.13 H new ATOM 0 HB3 LYS A 71 2.666 16.723 6.774 1.00 21.13 H new ATOM 0 HG2 LYS A 71 2.958 16.267 4.124 1.00 42.24 H new ATOM 0 HG3 LYS A 71 1.322 15.671 4.325 1.00 42.24 H new ATOM 0 HD2 LYS A 71 1.152 18.004 3.779 1.00 72.51 H new ATOM 0 HD3 LYS A 71 0.731 17.846 5.473 1.00 72.51 H new ATOM 0 HE2 LYS A 71 3.622 18.285 4.974 1.00 5.24 H new ATOM 0 HE3 LYS A 71 2.597 19.609 4.458 1.00 5.24 H new ATOM 0 HZ1 LYS A 71 2.189 20.191 6.556 1.00 33.43 H new ATOM 0 HZ2 LYS A 71 1.864 18.599 7.049 1.00 33.43 H new ATOM 0 HZ3 LYS A 71 3.466 19.162 6.996 1.00 33.43 H new ATOM 1132 N ALA A 72 2.590 12.651 6.110 1.00 1.32 N ATOM 1133 CA ALA A 72 2.184 11.401 5.482 1.00 53.04 C ATOM 1134 C ALA A 72 1.056 11.629 4.482 1.00 5.03 C ATOM 1135 O ALA A 72 0.213 12.511 4.651 1.00 70.01 O ATOM 1136 CB ALA A 72 1.759 10.392 6.539 1.00 43.33 C ATOM 0 H ALA A 72 2.354 12.722 7.100 1.00 1.32 H new ATOM 0 HA ALA A 72 3.041 11.002 4.939 1.00 53.04 H new ATOM 0 HB1 ALA A 72 1.458 9.463 6.055 1.00 43.33 H new ATOM 0 HB2 ALA A 72 2.594 10.197 7.212 1.00 43.33 H new ATOM 0 HB3 ALA A 72 0.920 10.793 7.108 1.00 43.33 H new ATOM 1142 N PRO A 73 1.036 10.818 3.415 1.00 40.35 N ATOM 1143 CA PRO A 73 0.016 10.913 2.367 1.00 54.35 C ATOM 1144 C PRO A 73 -1.358 10.466 2.853 1.00 1.42 C ATOM 1145 O PRO A 73 -2.382 11.017 2.446 1.00 50.45 O ATOM 1146 CB PRO A 73 0.533 9.965 1.281 1.00 73.02 C ATOM 1147 CG PRO A 73 1.387 8.985 2.009 1.00 1.14 C ATOM 1148 CD PRO A 73 2.009 9.745 3.148 1.00 64.04 C ATOM 0 HA PRO A 73 -0.123 11.939 2.026 1.00 54.35 H new ATOM 0 HB2 PRO A 73 -0.289 9.468 0.765 1.00 73.02 H new ATOM 0 HB3 PRO A 73 1.105 10.503 0.525 1.00 73.02 H new ATOM 0 HG2 PRO A 73 0.794 8.147 2.376 1.00 1.14 H new ATOM 0 HG3 PRO A 73 2.152 8.570 1.352 1.00 1.14 H new ATOM 0 HD2 PRO A 73 2.156 9.110 4.022 1.00 64.04 H new ATOM 0 HD3 PRO A 73 2.986 10.146 2.877 1.00 64.04 H new ATOM 1156 N PHE A 74 -1.375 9.465 3.726 1.00 23.12 N ATOM 1157 CA PHE A 74 -2.625 8.944 4.268 1.00 61.13 C ATOM 1158 C PHE A 74 -2.365 8.075 5.496 1.00 3.31 C ATOM 1159 O PHE A 74 -1.352 7.379 5.574 1.00 5.34 O ATOM 1160 CB PHE A 74 -3.368 8.133 3.205 1.00 10.43 C ATOM 1161 CG PHE A 74 -2.493 7.153 2.477 1.00 5.31 C ATOM 1162 CD1 PHE A 74 -2.256 5.893 3.003 1.00 42.24 C ATOM 1163 CD2 PHE A 74 -1.907 7.491 1.268 1.00 40.40 C ATOM 1164 CE1 PHE A 74 -1.450 4.990 2.336 1.00 63.14 C ATOM 1165 CE2 PHE A 74 -1.101 6.592 0.596 1.00 45.23 C ATOM 1166 CZ PHE A 74 -0.872 5.339 1.131 1.00 14.44 C ATOM 0 H PHE A 74 -0.538 8.998 4.074 1.00 23.12 H new ATOM 0 HA PHE A 74 -3.243 9.791 4.567 1.00 61.13 H new ATOM 0 HB2 PHE A 74 -4.188 7.593 3.679 1.00 10.43 H new ATOM 0 HB3 PHE A 74 -3.812 8.817 2.482 1.00 10.43 H new ATOM 0 HD1 PHE A 74 -2.706 5.614 3.944 1.00 42.24 H new ATOM 0 HD2 PHE A 74 -2.082 8.469 0.845 1.00 40.40 H new ATOM 0 HE1 PHE A 74 -1.272 4.011 2.757 1.00 63.14 H new ATOM 0 HE2 PHE A 74 -0.651 6.868 -0.346 1.00 45.23 H new ATOM 0 HZ PHE A 74 -0.243 4.634 0.608 1.00 14.44 H new ATOM 1176 N ASP A 75 -3.286 8.122 6.452 1.00 21.11 N ATOM 1177 CA ASP A 75 -3.159 7.340 7.676 1.00 43.24 C ATOM 1178 C ASP A 75 -2.843 5.882 7.359 1.00 40.44 C ATOM 1179 O ASP A 75 -3.285 5.347 6.343 1.00 44.33 O ATOM 1180 CB ASP A 75 -4.444 7.429 8.499 1.00 22.11 C ATOM 1181 CG ASP A 75 -5.570 6.605 7.907 1.00 54.14 C ATOM 1182 OD1 ASP A 75 -5.777 6.681 6.678 1.00 72.54 O ATOM 1183 OD2 ASP A 75 -6.243 5.883 8.672 1.00 62.25 O ATOM 0 H ASP A 75 -4.129 8.694 6.403 1.00 21.11 H new ATOM 0 HA ASP A 75 -2.335 7.753 8.258 1.00 43.24 H new ATOM 0 HB2 ASP A 75 -4.245 7.089 9.515 1.00 22.11 H new ATOM 0 HB3 ASP A 75 -4.757 8.471 8.567 1.00 22.11 H new ATOM 1188 N GLY A 76 -2.073 5.243 8.235 1.00 40.21 N ATOM 1189 CA GLY A 76 -1.710 3.853 8.030 1.00 11.31 C ATOM 1190 C GLY A 76 -0.433 3.475 8.753 1.00 62.40 C ATOM 1191 O GLY A 76 0.246 4.331 9.322 1.00 71.30 O ATOM 0 H GLY A 76 -1.694 5.664 9.083 1.00 40.21 H new ATOM 0 HA2 GLY A 76 -2.522 3.214 8.376 1.00 11.31 H new ATOM 0 HA3 GLY A 76 -1.589 3.666 6.963 1.00 11.31 H new ATOM 1195 N THR A 77 -0.104 2.187 8.735 1.00 71.24 N ATOM 1196 CA THR A 77 1.099 1.696 9.397 1.00 72.34 C ATOM 1197 C THR A 77 2.356 2.228 8.719 1.00 10.41 C ATOM 1198 O THR A 77 2.365 2.477 7.513 1.00 33.24 O ATOM 1199 CB THR A 77 1.146 0.156 9.403 1.00 65.24 C ATOM 1200 OG1 THR A 77 -0.108 -0.371 9.848 1.00 62.23 O ATOM 1201 CG2 THR A 77 2.262 -0.347 10.307 1.00 0.41 C ATOM 0 H THR A 77 -0.654 1.465 8.269 1.00 71.24 H new ATOM 0 HA THR A 77 1.064 2.056 10.425 1.00 72.34 H new ATOM 0 HB THR A 77 1.342 -0.183 8.386 1.00 65.24 H new ATOM 0 HG1 THR A 77 -0.070 -1.350 9.847 1.00 62.23 H new ATOM 0 HG21 THR A 77 2.276 -1.437 10.296 1.00 0.41 H new ATOM 0 HG22 THR A 77 3.219 0.032 9.949 1.00 0.41 H new ATOM 0 HG23 THR A 77 2.091 0.003 11.325 1.00 0.41 H new ATOM 1209 N ILE A 78 3.416 2.402 9.501 1.00 32.12 N ATOM 1210 CA ILE A 78 4.679 2.904 8.975 1.00 11.54 C ATOM 1211 C ILE A 78 5.840 2.003 9.379 1.00 60.41 C ATOM 1212 O ILE A 78 5.828 1.402 10.453 1.00 55.12 O ATOM 1213 CB ILE A 78 4.963 4.337 9.463 1.00 32.45 C ATOM 1214 CG1 ILE A 78 6.122 4.948 8.674 1.00 43.22 C ATOM 1215 CG2 ILE A 78 5.269 4.339 10.953 1.00 65.40 C ATOM 1216 CD1 ILE A 78 6.127 6.461 8.680 1.00 24.44 C ATOM 0 H ILE A 78 3.425 2.203 10.501 1.00 32.12 H new ATOM 0 HA ILE A 78 4.587 2.910 7.889 1.00 11.54 H new ATOM 0 HB ILE A 78 4.074 4.945 9.294 1.00 32.45 H new ATOM 0 HG12 ILE A 78 7.063 4.588 9.090 1.00 43.22 H new ATOM 0 HG13 ILE A 78 6.074 4.597 7.643 1.00 43.22 H new ATOM 0 HG21 ILE A 78 5.467 5.359 11.282 1.00 65.40 H new ATOM 0 HG22 ILE A 78 4.415 3.941 11.500 1.00 65.40 H new ATOM 0 HG23 ILE A 78 6.144 3.719 11.145 1.00 65.40 H new ATOM 0 HD11 ILE A 78 6.976 6.824 8.101 1.00 24.44 H new ATOM 0 HD12 ILE A 78 5.202 6.830 8.237 1.00 24.44 H new ATOM 0 HD13 ILE A 78 6.207 6.821 9.706 1.00 24.44 H new ATOM 1228 N GLY A 79 6.844 1.914 8.512 1.00 14.44 N ATOM 1229 CA GLY A 79 8.000 1.086 8.797 1.00 42.11 C ATOM 1230 C GLY A 79 9.122 1.863 9.456 1.00 51.43 C ATOM 1231 O GLY A 79 8.877 2.824 10.185 1.00 33.44 O ATOM 0 H GLY A 79 6.877 2.401 7.617 1.00 14.44 H new ATOM 0 HA2 GLY A 79 7.702 0.263 9.446 1.00 42.11 H new ATOM 0 HA3 GLY A 79 8.364 0.644 7.869 1.00 42.11 H new ATOM 1235 N ASP A 80 10.358 1.446 9.201 1.00 15.20 N ATOM 1236 CA ASP A 80 11.523 2.110 9.775 1.00 54.21 C ATOM 1237 C ASP A 80 12.115 3.114 8.791 1.00 70.15 C ATOM 1238 O ASP A 80 11.845 3.056 7.592 1.00 54.40 O ATOM 1239 CB ASP A 80 12.581 1.078 10.169 1.00 25.24 C ATOM 1240 CG ASP A 80 12.779 0.016 9.106 1.00 52.23 C ATOM 1241 OD1 ASP A 80 11.989 -0.951 9.079 1.00 32.13 O ATOM 1242 OD2 ASP A 80 13.723 0.151 8.301 1.00 4.22 O ATOM 0 H ASP A 80 10.579 0.651 8.601 1.00 15.20 H new ATOM 0 HA ASP A 80 11.202 2.649 10.667 1.00 54.21 H new ATOM 0 HB2 ASP A 80 13.528 1.585 10.352 1.00 25.24 H new ATOM 0 HB3 ASP A 80 12.288 0.601 11.104 1.00 25.24 H new ATOM 1247 N ALA A 81 12.924 4.034 9.307 1.00 44.11 N ATOM 1248 CA ALA A 81 13.556 5.050 8.475 1.00 60.51 C ATOM 1249 C ALA A 81 14.761 4.481 7.734 1.00 43.33 C ATOM 1250 O ALA A 81 15.351 3.487 8.159 1.00 73.12 O ATOM 1251 CB ALA A 81 13.969 6.245 9.322 1.00 74.32 C ATOM 0 H ALA A 81 13.157 4.096 10.298 1.00 44.11 H new ATOM 0 HA ALA A 81 12.829 5.380 7.733 1.00 60.51 H new ATOM 0 HB1 ALA A 81 14.440 6.996 8.687 1.00 74.32 H new ATOM 0 HB2 ALA A 81 13.088 6.674 9.800 1.00 74.32 H new ATOM 0 HB3 ALA A 81 14.675 5.922 10.087 1.00 74.32 H new ATOM 1257 N LEU A 82 15.122 5.118 6.625 1.00 24.30 N ATOM 1258 CA LEU A 82 16.258 4.675 5.824 1.00 63.44 C ATOM 1259 C LEU A 82 17.428 5.645 5.956 1.00 54.22 C ATOM 1260 O LEU A 82 18.588 5.234 5.989 1.00 11.23 O ATOM 1261 CB LEU A 82 15.852 4.543 4.356 1.00 43.03 C ATOM 1262 CG LEU A 82 15.066 3.284 3.987 1.00 44.30 C ATOM 1263 CD1 LEU A 82 14.559 3.370 2.556 1.00 4.55 C ATOM 1264 CD2 LEU A 82 15.928 2.044 4.176 1.00 34.01 C ATOM 0 H LEU A 82 14.645 5.942 6.260 1.00 24.30 H new ATOM 0 HA LEU A 82 16.575 3.700 6.195 1.00 63.44 H new ATOM 0 HB2 LEU A 82 15.253 5.413 4.086 1.00 43.03 H new ATOM 0 HB3 LEU A 82 16.755 4.575 3.746 1.00 43.03 H new ATOM 0 HG LEU A 82 14.205 3.209 4.651 1.00 44.30 H new ATOM 0 HD11 LEU A 82 14.002 2.465 2.312 1.00 4.55 H new ATOM 0 HD12 LEU A 82 13.906 4.237 2.453 1.00 4.55 H new ATOM 0 HD13 LEU A 82 15.405 3.470 1.876 1.00 4.55 H new ATOM 0 HD21 LEU A 82 15.353 1.157 3.909 1.00 34.01 H new ATOM 0 HD22 LEU A 82 16.808 2.112 3.537 1.00 34.01 H new ATOM 0 HD23 LEU A 82 16.241 1.974 5.218 1.00 34.01 H new ATOM 1276 N VAL A 83 17.115 6.935 6.031 1.00 63.02 N ATOM 1277 CA VAL A 83 18.139 7.964 6.161 1.00 24.10 C ATOM 1278 C VAL A 83 18.234 8.467 7.598 1.00 34.25 C ATOM 1279 O VAL A 83 17.361 8.191 8.421 1.00 31.01 O ATOM 1280 CB VAL A 83 17.859 9.156 5.228 1.00 12.33 C ATOM 1281 CG1 VAL A 83 17.607 8.675 3.808 1.00 55.40 C ATOM 1282 CG2 VAL A 83 16.680 9.969 5.742 1.00 50.31 C ATOM 0 H VAL A 83 16.160 7.292 6.004 1.00 63.02 H new ATOM 0 HA VAL A 83 19.086 7.505 5.877 1.00 24.10 H new ATOM 0 HB VAL A 83 18.738 9.801 5.217 1.00 12.33 H new ATOM 0 HG11 VAL A 83 17.411 9.532 3.163 1.00 55.40 H new ATOM 0 HG12 VAL A 83 18.484 8.140 3.444 1.00 55.40 H new ATOM 0 HG13 VAL A 83 16.745 8.008 3.797 1.00 55.40 H new ATOM 0 HG21 VAL A 83 16.496 10.808 5.071 1.00 50.31 H new ATOM 0 HG22 VAL A 83 15.793 9.337 5.785 1.00 50.31 H new ATOM 0 HG23 VAL A 83 16.905 10.346 6.740 1.00 50.31 H new ATOM 1292 N ASN A 84 19.296 9.208 7.892 1.00 54.44 N ATOM 1293 CA ASN A 84 19.504 9.750 9.229 1.00 53.45 C ATOM 1294 C ASN A 84 19.463 11.276 9.210 1.00 60.03 C ATOM 1295 O ASN A 84 19.409 11.891 8.145 1.00 41.41 O ATOM 1296 CB ASN A 84 20.844 9.272 9.793 1.00 60.12 C ATOM 1297 CG ASN A 84 20.789 7.834 10.273 1.00 33.04 C ATOM 1298 OD1 ASN A 84 20.643 7.572 11.467 1.00 43.44 O ATOM 1299 ND2 ASN A 84 20.906 6.896 9.342 1.00 74.30 N ATOM 0 H ASN A 84 20.027 9.447 7.222 1.00 54.44 H new ATOM 0 HA ASN A 84 18.699 9.390 9.869 1.00 53.45 H new ATOM 0 HB2 ASN A 84 21.613 9.367 9.026 1.00 60.12 H new ATOM 0 HB3 ASN A 84 21.138 9.918 10.621 1.00 60.12 H new ATOM 0 HD21 ASN A 84 20.876 5.911 9.604 1.00 74.30 H new ATOM 0 HD22 ASN A 84 21.025 7.160 8.364 1.00 74.30 H new ATOM 1306 N ILE A 85 19.490 11.878 10.394 1.00 61.24 N ATOM 1307 CA ILE A 85 19.458 13.330 10.513 1.00 60.41 C ATOM 1308 C ILE A 85 20.795 13.944 10.109 1.00 34.21 C ATOM 1309 O ILE A 85 21.835 13.293 10.178 1.00 43.55 O ATOM 1310 CB ILE A 85 19.117 13.770 11.949 1.00 21.43 C ATOM 1311 CG1 ILE A 85 17.951 12.943 12.495 1.00 12.43 C ATOM 1312 CG2 ILE A 85 18.783 15.253 11.983 1.00 43.33 C ATOM 1313 CD1 ILE A 85 16.696 13.041 11.656 1.00 21.01 C ATOM 0 H ILE A 85 19.534 11.383 11.284 1.00 61.24 H new ATOM 0 HA ILE A 85 18.679 13.685 9.838 1.00 60.41 H new ATOM 0 HB ILE A 85 19.987 13.599 12.582 1.00 21.43 H new ATOM 0 HG12 ILE A 85 18.255 11.898 12.558 1.00 12.43 H new ATOM 0 HG13 ILE A 85 17.727 13.272 13.510 1.00 12.43 H new ATOM 0 HG21 ILE A 85 18.544 15.549 13.005 1.00 43.33 H new ATOM 0 HG22 ILE A 85 19.640 15.827 11.630 1.00 43.33 H new ATOM 0 HG23 ILE A 85 17.925 15.448 11.339 1.00 43.33 H new ATOM 0 HD11 ILE A 85 15.911 12.430 12.102 1.00 21.01 H new ATOM 0 HD12 ILE A 85 16.367 14.079 11.613 1.00 21.01 H new ATOM 0 HD13 ILE A 85 16.904 12.684 10.647 1.00 21.01 H new ATOM 1325 N GLY A 86 20.756 15.205 9.689 1.00 51.44 N ATOM 1326 CA GLY A 86 21.970 15.887 9.281 1.00 3.24 C ATOM 1327 C GLY A 86 22.570 15.301 8.019 1.00 50.42 C ATOM 1328 O GLY A 86 23.724 15.575 7.685 1.00 20.43 O ATOM 0 H GLY A 86 19.906 15.766 9.624 1.00 51.44 H new ATOM 0 HA2 GLY A 86 21.753 16.943 9.120 1.00 3.24 H new ATOM 0 HA3 GLY A 86 22.702 15.832 10.087 1.00 3.24 H new ATOM 1332 N ASP A 87 21.787 14.491 7.315 1.00 34.11 N ATOM 1333 CA ASP A 87 22.247 13.863 6.081 1.00 65.42 C ATOM 1334 C ASP A 87 21.552 14.474 4.869 1.00 42.23 C ATOM 1335 O ASP A 87 20.324 14.526 4.805 1.00 53.05 O ATOM 1336 CB ASP A 87 21.992 12.355 6.126 1.00 53.42 C ATOM 1337 CG ASP A 87 23.271 11.549 6.013 1.00 34.30 C ATOM 1338 OD1 ASP A 87 24.087 11.855 5.120 1.00 45.43 O ATOM 1339 OD2 ASP A 87 23.453 10.609 6.816 1.00 14.14 O ATOM 0 H ASP A 87 20.830 14.254 7.578 1.00 34.11 H new ATOM 0 HA ASP A 87 23.319 14.040 5.989 1.00 65.42 H new ATOM 0 HB2 ASP A 87 21.488 12.102 7.059 1.00 53.42 H new ATOM 0 HB3 ASP A 87 21.319 12.079 5.315 1.00 53.42 H new ATOM 1344 N TYR A 88 22.347 14.937 3.910 1.00 73.22 N ATOM 1345 CA TYR A 88 21.809 15.547 2.699 1.00 25.50 C ATOM 1346 C TYR A 88 21.038 14.524 1.870 1.00 52.52 C ATOM 1347 O TYR A 88 21.557 13.459 1.537 1.00 1.44 O ATOM 1348 CB TYR A 88 22.937 16.153 1.864 1.00 61.24 C ATOM 1349 CG TYR A 88 22.459 16.818 0.592 1.00 44.13 C ATOM 1350 CD1 TYR A 88 22.175 16.068 -0.542 1.00 34.03 C ATOM 1351 CD2 TYR A 88 22.291 18.195 0.527 1.00 52.21 C ATOM 1352 CE1 TYR A 88 21.738 16.672 -1.706 1.00 41.15 C ATOM 1353 CE2 TYR A 88 21.854 18.807 -0.631 1.00 54.01 C ATOM 1354 CZ TYR A 88 21.580 18.042 -1.746 1.00 31.32 C ATOM 1355 OH TYR A 88 21.144 18.646 -2.903 1.00 64.11 O ATOM 0 H TYR A 88 23.366 14.902 3.948 1.00 73.22 H new ATOM 0 HA TYR A 88 21.121 16.339 2.996 1.00 25.50 H new ATOM 0 HB2 TYR A 88 23.472 16.886 2.468 1.00 61.24 H new ATOM 0 HB3 TYR A 88 23.650 15.369 1.608 1.00 61.24 H new ATOM 0 HD1 TYR A 88 22.298 14.995 -0.514 1.00 34.03 H new ATOM 0 HD2 TYR A 88 22.506 18.798 1.397 1.00 52.21 H new ATOM 0 HE1 TYR A 88 21.521 16.075 -2.579 1.00 41.15 H new ATOM 0 HE2 TYR A 88 21.727 19.879 -0.664 1.00 54.01 H new ATOM 0 HH TYR A 88 21.085 19.614 -2.764 1.00 64.11 H new ATOM 1365 N VAL A 89 19.795 14.858 1.538 1.00 51.21 N ATOM 1366 CA VAL A 89 18.951 13.971 0.745 1.00 45.11 C ATOM 1367 C VAL A 89 18.446 14.672 -0.511 1.00 52.14 C ATOM 1368 O VAL A 89 18.283 15.891 -0.531 1.00 12.24 O ATOM 1369 CB VAL A 89 17.746 13.468 1.560 1.00 75.33 C ATOM 1370 CG1 VAL A 89 18.168 12.356 2.508 1.00 73.22 C ATOM 1371 CG2 VAL A 89 17.101 14.615 2.323 1.00 44.45 C ATOM 0 H VAL A 89 19.350 15.736 1.806 1.00 51.21 H new ATOM 0 HA VAL A 89 19.567 13.119 0.458 1.00 45.11 H new ATOM 0 HB VAL A 89 17.007 13.062 0.869 1.00 75.33 H new ATOM 0 HG11 VAL A 89 17.303 12.014 3.075 1.00 73.22 H new ATOM 0 HG12 VAL A 89 18.578 11.525 1.934 1.00 73.22 H new ATOM 0 HG13 VAL A 89 18.927 12.732 3.195 1.00 73.22 H new ATOM 0 HG21 VAL A 89 16.251 14.240 2.893 1.00 44.45 H new ATOM 0 HG22 VAL A 89 17.830 15.054 3.004 1.00 44.45 H new ATOM 0 HG23 VAL A 89 16.759 15.374 1.619 1.00 44.45 H new ATOM 1381 N SER A 90 18.199 13.891 -1.558 1.00 12.34 N ATOM 1382 CA SER A 90 17.714 14.437 -2.821 1.00 24.05 C ATOM 1383 C SER A 90 16.209 14.683 -2.764 1.00 45.24 C ATOM 1384 O SER A 90 15.589 14.560 -1.709 1.00 50.50 O ATOM 1385 CB SER A 90 18.044 13.485 -3.972 1.00 70.31 C ATOM 1386 OG SER A 90 18.970 14.071 -4.870 1.00 14.15 O ATOM 0 H SER A 90 18.327 12.879 -1.557 1.00 12.34 H new ATOM 0 HA SER A 90 18.214 15.390 -2.993 1.00 24.05 H new ATOM 0 HB2 SER A 90 18.456 12.558 -3.574 1.00 70.31 H new ATOM 0 HB3 SER A 90 17.130 13.225 -4.506 1.00 70.31 H new ATOM 0 HG SER A 90 19.165 13.442 -5.595 1.00 14.15 H new ATOM 1392 N ALA A 91 15.630 15.032 -3.908 1.00 75.35 N ATOM 1393 CA ALA A 91 14.198 15.294 -3.990 1.00 52.45 C ATOM 1394 C ALA A 91 13.392 14.073 -3.563 1.00 32.44 C ATOM 1395 O ALA A 91 13.860 13.252 -2.774 1.00 55.12 O ATOM 1396 CB ALA A 91 13.819 15.711 -5.404 1.00 61.01 C ATOM 0 H ALA A 91 16.130 15.140 -4.790 1.00 75.35 H new ATOM 0 HA ALA A 91 13.962 16.110 -3.306 1.00 52.45 H new ATOM 0 HB1 ALA A 91 12.747 15.904 -5.452 1.00 61.01 H new ATOM 0 HB2 ALA A 91 14.363 16.616 -5.674 1.00 61.01 H new ATOM 0 HB3 ALA A 91 14.075 14.912 -6.100 1.00 61.01 H new ATOM 1402 N SER A 92 12.176 13.959 -4.087 1.00 73.22 N ATOM 1403 CA SER A 92 11.301 12.840 -3.755 1.00 52.52 C ATOM 1404 C SER A 92 12.036 11.512 -3.909 1.00 53.33 C ATOM 1405 O SER A 92 11.662 10.507 -3.305 1.00 32.50 O ATOM 1406 CB SER A 92 10.058 12.855 -4.649 1.00 64.43 C ATOM 1407 OG SER A 92 9.069 11.966 -4.158 1.00 35.21 O ATOM 0 H SER A 92 11.774 14.628 -4.744 1.00 73.22 H new ATOM 0 HA SER A 92 10.993 12.947 -2.715 1.00 52.52 H new ATOM 0 HB2 SER A 92 9.652 13.866 -4.697 1.00 64.43 H new ATOM 0 HB3 SER A 92 10.333 12.573 -5.665 1.00 64.43 H new ATOM 0 HG SER A 92 8.284 11.994 -4.744 1.00 35.21 H new ATOM 1413 N THR A 93 13.088 11.516 -4.724 1.00 23.31 N ATOM 1414 CA THR A 93 13.876 10.313 -4.959 1.00 25.11 C ATOM 1415 C THR A 93 14.389 9.726 -3.648 1.00 13.21 C ATOM 1416 O THR A 93 14.644 8.526 -3.551 1.00 21.23 O ATOM 1417 CB THR A 93 15.074 10.598 -5.884 1.00 54.20 C ATOM 1418 OG1 THR A 93 14.618 11.183 -7.109 1.00 62.21 O ATOM 1419 CG2 THR A 93 15.844 9.321 -6.182 1.00 60.13 C ATOM 0 H THR A 93 13.413 12.339 -5.231 1.00 23.31 H new ATOM 0 HA THR A 93 13.216 9.593 -5.443 1.00 25.11 H new ATOM 0 HB THR A 93 15.740 11.294 -5.375 1.00 54.20 H new ATOM 0 HG1 THR A 93 15.386 11.363 -7.691 1.00 62.21 H new ATOM 0 HG21 THR A 93 16.685 9.548 -6.837 1.00 60.13 H new ATOM 0 HG22 THR A 93 16.215 8.894 -5.250 1.00 60.13 H new ATOM 0 HG23 THR A 93 15.185 8.605 -6.673 1.00 60.13 H new ATOM 1427 N THR A 94 14.538 10.581 -2.641 1.00 21.21 N ATOM 1428 CA THR A 94 15.021 10.147 -1.336 1.00 14.41 C ATOM 1429 C THR A 94 13.982 9.292 -0.621 1.00 10.31 C ATOM 1430 O THR A 94 12.940 9.791 -0.197 1.00 42.41 O ATOM 1431 CB THR A 94 15.382 11.349 -0.443 1.00 3.51 C ATOM 1432 OG1 THR A 94 15.960 10.892 0.785 1.00 54.41 O ATOM 1433 CG2 THR A 94 14.151 12.193 -0.147 1.00 20.52 C ATOM 0 H THR A 94 14.331 11.578 -2.704 1.00 21.21 H new ATOM 0 HA THR A 94 15.917 9.552 -1.513 1.00 14.41 H new ATOM 0 HB THR A 94 16.105 11.965 -0.977 1.00 3.51 H new ATOM 0 HG1 THR A 94 16.932 10.819 0.682 1.00 54.41 H new ATOM 0 HG21 THR A 94 14.431 13.036 0.485 1.00 20.52 H new ATOM 0 HG22 THR A 94 13.731 12.564 -1.082 1.00 20.52 H new ATOM 0 HG23 THR A 94 13.408 11.584 0.368 1.00 20.52 H new ATOM 1441 N GLU A 95 14.272 8.001 -0.492 1.00 52.32 N ATOM 1442 CA GLU A 95 13.360 7.077 0.172 1.00 72.13 C ATOM 1443 C GLU A 95 13.745 6.892 1.637 1.00 24.11 C ATOM 1444 O GLU A 95 14.811 6.359 1.948 1.00 22.54 O ATOM 1445 CB GLU A 95 13.362 5.724 -0.542 1.00 31.32 C ATOM 1446 CG GLU A 95 13.426 5.834 -2.056 1.00 45.33 C ATOM 1447 CD GLU A 95 12.986 4.562 -2.753 1.00 35.10 C ATOM 1448 OE1 GLU A 95 13.687 3.538 -2.617 1.00 43.14 O ATOM 1449 OE2 GLU A 95 11.940 4.590 -3.434 1.00 75.22 O ATOM 0 H GLU A 95 15.130 7.572 -0.838 1.00 52.32 H new ATOM 0 HA GLU A 95 12.357 7.501 0.129 1.00 72.13 H new ATOM 0 HB2 GLU A 95 14.213 5.140 -0.192 1.00 31.32 H new ATOM 0 HB3 GLU A 95 12.463 5.175 -0.264 1.00 31.32 H new ATOM 0 HG2 GLU A 95 12.795 6.660 -2.383 1.00 45.33 H new ATOM 0 HG3 GLU A 95 14.446 6.074 -2.356 1.00 45.33 H new ATOM 1456 N LEU A 96 12.871 7.337 2.533 1.00 32.32 N ATOM 1457 CA LEU A 96 13.117 7.222 3.966 1.00 64.11 C ATOM 1458 C LEU A 96 12.342 6.049 4.559 1.00 40.50 C ATOM 1459 O LEU A 96 12.932 5.067 5.010 1.00 70.44 O ATOM 1460 CB LEU A 96 12.726 8.518 4.676 1.00 4.13 C ATOM 1461 CG LEU A 96 13.072 9.815 3.945 1.00 55.41 C ATOM 1462 CD1 LEU A 96 14.448 9.718 3.306 1.00 70.15 C ATOM 1463 CD2 LEU A 96 12.016 10.133 2.896 1.00 12.11 C ATOM 0 H LEU A 96 11.985 7.781 2.292 1.00 32.32 H new ATOM 0 HA LEU A 96 14.182 7.042 4.114 1.00 64.11 H new ATOM 0 HB2 LEU A 96 11.651 8.501 4.854 1.00 4.13 H new ATOM 0 HB3 LEU A 96 13.211 8.534 5.652 1.00 4.13 H new ATOM 0 HG LEU A 96 13.089 10.626 4.673 1.00 55.41 H new ATOM 0 HD11 LEU A 96 14.676 10.651 2.790 1.00 70.15 H new ATOM 0 HD12 LEU A 96 15.196 9.538 4.078 1.00 70.15 H new ATOM 0 HD13 LEU A 96 14.460 8.896 2.591 1.00 70.15 H new ATOM 0 HD21 LEU A 96 12.278 11.060 2.385 1.00 12.11 H new ATOM 0 HD22 LEU A 96 11.967 9.320 2.171 1.00 12.11 H new ATOM 0 HD23 LEU A 96 11.046 10.247 3.379 1.00 12.11 H new ATOM 1475 N VAL A 97 11.017 6.159 4.554 1.00 43.42 N ATOM 1476 CA VAL A 97 10.162 5.107 5.088 1.00 63.41 C ATOM 1477 C VAL A 97 8.923 4.912 4.221 1.00 10.31 C ATOM 1478 O VAL A 97 8.464 5.843 3.560 1.00 51.50 O ATOM 1479 CB VAL A 97 9.721 5.421 6.530 1.00 31.34 C ATOM 1480 CG1 VAL A 97 8.667 6.518 6.540 1.00 54.44 C ATOM 1481 CG2 VAL A 97 9.201 4.165 7.213 1.00 31.23 C ATOM 0 H VAL A 97 10.513 6.966 4.186 1.00 43.42 H new ATOM 0 HA VAL A 97 10.751 4.190 5.087 1.00 63.41 H new ATOM 0 HB VAL A 97 10.587 5.778 7.087 1.00 31.34 H new ATOM 0 HG11 VAL A 97 8.368 6.726 7.567 1.00 54.44 H new ATOM 0 HG12 VAL A 97 9.079 7.422 6.092 1.00 54.44 H new ATOM 0 HG13 VAL A 97 7.798 6.193 5.968 1.00 54.44 H new ATOM 0 HG21 VAL A 97 8.894 4.405 8.231 1.00 31.23 H new ATOM 0 HG22 VAL A 97 8.347 3.776 6.658 1.00 31.23 H new ATOM 0 HG23 VAL A 97 9.989 3.413 7.240 1.00 31.23 H new ATOM 1491 N ARG A 98 8.388 3.696 4.228 1.00 34.55 N ATOM 1492 CA ARG A 98 7.202 3.379 3.441 1.00 44.14 C ATOM 1493 C ARG A 98 6.002 3.117 4.348 1.00 55.34 C ATOM 1494 O ARG A 98 6.153 2.656 5.479 1.00 51.53 O ATOM 1495 CB ARG A 98 7.463 2.158 2.558 1.00 54.04 C ATOM 1496 CG ARG A 98 7.573 0.856 3.333 1.00 20.21 C ATOM 1497 CD ARG A 98 9.002 0.593 3.782 1.00 10.41 C ATOM 1498 NE ARG A 98 9.058 0.025 5.125 1.00 65.53 N ATOM 1499 CZ ARG A 98 10.105 -0.645 5.598 1.00 52.51 C ATOM 1500 NH1 ARG A 98 11.176 -0.827 4.838 1.00 42.31 N ATOM 1501 NH2 ARG A 98 10.081 -1.133 6.831 1.00 52.30 N ATOM 0 H ARG A 98 8.757 2.914 4.770 1.00 34.55 H new ATOM 0 HA ARG A 98 6.976 4.237 2.807 1.00 44.14 H new ATOM 0 HB2 ARG A 98 6.658 2.069 1.829 1.00 54.04 H new ATOM 0 HB3 ARG A 98 8.385 2.316 1.998 1.00 54.04 H new ATOM 0 HG2 ARG A 98 6.918 0.893 4.204 1.00 20.21 H new ATOM 0 HG3 ARG A 98 7.229 0.030 2.710 1.00 20.21 H new ATOM 0 HD2 ARG A 98 9.483 -0.088 3.080 1.00 10.41 H new ATOM 0 HD3 ARG A 98 9.566 1.525 3.759 1.00 10.41 H new ATOM 0 HE ARG A 98 8.250 0.149 5.735 1.00 65.53 H new ATOM 0 HH11 ARG A 98 11.198 -0.453 3.889 1.00 42.31 H new ATOM 0 HH12 ARG A 98 11.978 -1.341 5.202 1.00 42.31 H new ATOM 0 HH21 ARG A 98 9.259 -0.995 7.418 1.00 52.30 H new ATOM 0 HH22 ARG A 98 10.885 -1.647 7.192 1.00 52.30 H new ATOM 1515 N VAL A 99 4.810 3.414 3.841 1.00 14.34 N ATOM 1516 CA VAL A 99 3.583 3.211 4.603 1.00 25.22 C ATOM 1517 C VAL A 99 2.847 1.960 4.137 1.00 41.42 C ATOM 1518 O VAL A 99 2.669 1.741 2.938 1.00 51.41 O ATOM 1519 CB VAL A 99 2.641 4.423 4.484 1.00 52.10 C ATOM 1520 CG1 VAL A 99 2.170 4.594 3.047 1.00 42.10 C ATOM 1521 CG2 VAL A 99 1.456 4.271 5.426 1.00 53.22 C ATOM 0 H VAL A 99 4.668 3.796 2.906 1.00 14.34 H new ATOM 0 HA VAL A 99 3.875 3.089 5.646 1.00 25.22 H new ATOM 0 HB VAL A 99 3.192 5.319 4.770 1.00 52.10 H new ATOM 0 HG11 VAL A 99 1.505 5.455 2.982 1.00 42.10 H new ATOM 0 HG12 VAL A 99 3.032 4.751 2.398 1.00 42.10 H new ATOM 0 HG13 VAL A 99 1.635 3.698 2.730 1.00 42.10 H new ATOM 0 HG21 VAL A 99 0.801 5.136 5.329 1.00 53.22 H new ATOM 0 HG22 VAL A 99 0.903 3.367 5.172 1.00 53.22 H new ATOM 0 HG23 VAL A 99 1.814 4.201 6.453 1.00 53.22 H new ATOM 1531 N THR A 100 2.420 1.141 5.092 1.00 22.42 N ATOM 1532 CA THR A 100 1.702 -0.090 4.780 1.00 42.31 C ATOM 1533 C THR A 100 0.422 -0.203 5.599 1.00 12.33 C ATOM 1534 O THR A 100 0.208 0.558 6.542 1.00 51.14 O ATOM 1535 CB THR A 100 2.577 -1.331 5.041 1.00 31.03 C ATOM 1536 OG1 THR A 100 1.892 -2.511 4.605 1.00 43.15 O ATOM 1537 CG2 THR A 100 2.917 -1.452 6.519 1.00 55.23 C ATOM 0 H THR A 100 2.559 1.307 6.089 1.00 22.42 H new ATOM 0 HA THR A 100 1.449 -0.049 3.721 1.00 42.31 H new ATOM 0 HB THR A 100 3.505 -1.221 4.480 1.00 31.03 H new ATOM 0 HG1 THR A 100 2.454 -3.296 4.772 1.00 43.15 H new ATOM 0 HG21 THR A 100 3.535 -2.335 6.679 1.00 55.23 H new ATOM 0 HG22 THR A 100 3.462 -0.565 6.841 1.00 55.23 H new ATOM 0 HG23 THR A 100 1.998 -1.543 7.098 1.00 55.23 H new ATOM 1545 N ASN A 101 -0.427 -1.157 5.233 1.00 75.24 N ATOM 1546 CA ASN A 101 -1.688 -1.370 5.935 1.00 11.41 C ATOM 1547 C ASN A 101 -2.467 -0.064 6.058 1.00 32.54 C ATOM 1548 O ASN A 101 -2.123 0.940 5.435 1.00 74.23 O ATOM 1549 CB ASN A 101 -1.430 -1.956 7.324 1.00 73.14 C ATOM 1550 CG ASN A 101 -2.195 -3.245 7.559 1.00 42.35 C ATOM 1551 OD1 ASN A 101 -1.908 -4.270 6.941 1.00 64.32 O ATOM 1552 ND2 ASN A 101 -3.173 -3.196 8.454 1.00 10.05 N ATOM 0 H ASN A 101 -0.265 -1.795 4.454 1.00 75.24 H new ATOM 0 HA ASN A 101 -2.284 -2.076 5.356 1.00 11.41 H new ATOM 0 HB2 ASN A 101 -0.363 -2.143 7.444 1.00 73.14 H new ATOM 0 HB3 ASN A 101 -1.713 -1.225 8.082 1.00 73.14 H new ATOM 0 HD21 ASN A 101 -3.723 -4.031 8.654 1.00 10.05 H new ATOM 0 HD22 ASN A 101 -3.375 -2.323 8.942 1.00 10.05 H new ATOM 1559 N LEU A 102 -3.520 -0.086 6.868 1.00 10.35 N ATOM 1560 CA LEU A 102 -4.350 1.096 7.076 1.00 13.51 C ATOM 1561 C LEU A 102 -5.032 1.050 8.440 1.00 54.30 C ATOM 1562 O LEU A 102 -5.067 2.046 9.160 1.00 21.12 O ATOM 1563 CB LEU A 102 -5.402 1.205 5.970 1.00 23.42 C ATOM 1564 CG LEU A 102 -5.799 2.624 5.559 1.00 51.25 C ATOM 1565 CD1 LEU A 102 -6.199 3.440 6.777 1.00 4.22 C ATOM 1566 CD2 LEU A 102 -4.659 3.300 4.811 1.00 31.12 C ATOM 0 H LEU A 102 -3.819 -0.909 7.391 1.00 10.35 H new ATOM 0 HA LEU A 102 -3.704 1.974 7.043 1.00 13.51 H new ATOM 0 HB2 LEU A 102 -5.029 0.684 5.088 1.00 23.42 H new ATOM 0 HB3 LEU A 102 -6.299 0.678 6.296 1.00 23.42 H new ATOM 0 HG LEU A 102 -6.659 2.562 4.892 1.00 51.25 H new ATOM 0 HD11 LEU A 102 -6.478 4.446 6.465 1.00 4.22 H new ATOM 0 HD12 LEU A 102 -7.047 2.965 7.271 1.00 4.22 H new ATOM 0 HD13 LEU A 102 -5.359 3.495 7.470 1.00 4.22 H new ATOM 0 HD21 LEU A 102 -4.958 4.309 4.526 1.00 31.12 H new ATOM 0 HD22 LEU A 102 -3.781 3.350 5.455 1.00 31.12 H new ATOM 0 HD23 LEU A 102 -4.420 2.726 3.916 1.00 31.12 H new ATOM 1578 N ASN A 103 -5.571 -0.113 8.787 1.00 72.34 N ATOM 1579 CA ASN A 103 -6.250 -0.290 10.066 1.00 75.10 C ATOM 1580 C ASN A 103 -5.245 -0.365 11.210 1.00 23.13 C ATOM 1581 O ASN A 103 -4.086 -0.739 11.028 1.00 43.33 O ATOM 1582 CB ASN A 103 -7.108 -1.557 10.041 1.00 63.33 C ATOM 1583 CG ASN A 103 -8.363 -1.390 9.206 1.00 44.30 C ATOM 1584 OD1 ASN A 103 -8.886 -0.284 9.067 1.00 70.50 O ATOM 1585 ND2 ASN A 103 -8.852 -2.490 8.645 1.00 44.34 N ATOM 0 H ASN A 103 -5.551 -0.948 8.201 1.00 72.34 H new ATOM 0 HA ASN A 103 -6.895 0.574 10.229 1.00 75.10 H new ATOM 0 HB2 ASN A 103 -6.519 -2.384 9.644 1.00 63.33 H new ATOM 0 HB3 ASN A 103 -7.386 -1.824 11.060 1.00 63.33 H new ATOM 0 HD21 ASN A 103 -9.694 -2.439 8.072 1.00 44.34 H new ATOM 0 HD22 ASN A 103 -8.385 -3.386 8.787 1.00 44.34 H new ATOM 1592 N PRO A 104 -5.697 -0.003 12.420 1.00 50.41 N ATOM 1593 CA PRO A 104 -4.853 -0.021 13.618 1.00 22.31 C ATOM 1594 C PRO A 104 -4.510 -1.439 14.064 1.00 61.13 C ATOM 1595 O PRO A 104 -4.952 -2.414 13.455 1.00 64.10 O ATOM 1596 CB PRO A 104 -5.719 0.675 14.672 1.00 43.55 C ATOM 1597 CG PRO A 104 -7.119 0.462 14.214 1.00 72.14 C ATOM 1598 CD PRO A 104 -7.066 0.453 12.711 1.00 32.14 C ATOM 0 HA PRO A 104 -3.892 0.464 13.447 1.00 22.31 H new ATOM 0 HB2 PRO A 104 -5.557 0.248 15.662 1.00 43.55 H new ATOM 0 HB3 PRO A 104 -5.482 1.737 14.740 1.00 43.55 H new ATOM 0 HG2 PRO A 104 -7.516 -0.479 14.596 1.00 72.14 H new ATOM 0 HG3 PRO A 104 -7.773 1.255 14.577 1.00 72.14 H new ATOM 0 HD2 PRO A 104 -7.812 -0.219 12.287 1.00 32.14 H new ATOM 0 HD3 PRO A 104 -7.256 1.443 12.296 1.00 32.14 H new ATOM 1606 N ILE A 105 -3.721 -1.545 15.127 1.00 61.31 N ATOM 1607 CA ILE A 105 -3.320 -2.844 15.654 1.00 51.14 C ATOM 1608 C ILE A 105 -3.244 -2.821 17.176 1.00 24.45 C ATOM 1609 O ILE A 105 -2.849 -1.819 17.773 1.00 32.04 O ATOM 1610 CB ILE A 105 -1.956 -3.284 15.090 1.00 21.32 C ATOM 1611 CG1 ILE A 105 -1.980 -3.257 13.561 1.00 55.44 C ATOM 1612 CG2 ILE A 105 -1.597 -4.673 15.595 1.00 33.40 C ATOM 1613 CD1 ILE A 105 -2.858 -4.326 12.950 1.00 72.53 C ATOM 0 H ILE A 105 -3.346 -0.747 15.641 1.00 61.31 H new ATOM 0 HA ILE A 105 -4.081 -3.559 15.342 1.00 51.14 H new ATOM 0 HB ILE A 105 -1.194 -2.585 15.435 1.00 21.32 H new ATOM 0 HG12 ILE A 105 -2.328 -2.279 13.229 1.00 55.44 H new ATOM 0 HG13 ILE A 105 -0.963 -3.377 13.188 1.00 55.44 H new ATOM 0 HG21 ILE A 105 -0.631 -4.970 15.188 1.00 33.40 H new ATOM 0 HG22 ILE A 105 -1.544 -4.662 16.684 1.00 33.40 H new ATOM 0 HG23 ILE A 105 -2.359 -5.384 15.276 1.00 33.40 H new ATOM 0 HD11 ILE A 105 -2.826 -4.246 11.863 1.00 72.53 H new ATOM 0 HD12 ILE A 105 -2.498 -5.309 13.252 1.00 72.53 H new ATOM 0 HD13 ILE A 105 -3.884 -4.194 13.294 1.00 72.53 H new ATOM 1625 N TYR A 106 -3.624 -3.931 17.799 1.00 63.31 N ATOM 1626 CA TYR A 106 -3.599 -4.038 19.254 1.00 14.13 C ATOM 1627 C TYR A 106 -3.668 -5.497 19.693 1.00 2.32 C ATOM 1628 O TYR A 106 -4.252 -5.818 20.727 1.00 64.42 O ATOM 1629 CB TYR A 106 -4.763 -3.255 19.863 1.00 72.22 C ATOM 1630 CG TYR A 106 -6.064 -3.420 19.109 1.00 4.14 C ATOM 1631 CD1 TYR A 106 -6.396 -2.568 18.063 1.00 33.10 C ATOM 1632 CD2 TYR A 106 -6.960 -4.428 19.443 1.00 31.13 C ATOM 1633 CE1 TYR A 106 -7.584 -2.714 17.373 1.00 21.00 C ATOM 1634 CE2 TYR A 106 -8.149 -4.583 18.757 1.00 2.04 C ATOM 1635 CZ TYR A 106 -8.457 -3.722 17.723 1.00 62.55 C ATOM 1636 OH TYR A 106 -9.641 -3.874 17.037 1.00 5.54 O ATOM 0 H TYR A 106 -3.953 -4.769 17.320 1.00 63.31 H new ATOM 0 HA TYR A 106 -2.659 -3.614 19.609 1.00 14.13 H new ATOM 0 HB2 TYR A 106 -4.907 -3.578 20.894 1.00 72.22 H new ATOM 0 HB3 TYR A 106 -4.502 -2.197 19.893 1.00 72.22 H new ATOM 0 HD1 TYR A 106 -5.714 -1.778 17.785 1.00 33.10 H new ATOM 0 HD2 TYR A 106 -6.723 -5.102 20.253 1.00 31.13 H new ATOM 0 HE1 TYR A 106 -7.828 -2.042 16.563 1.00 21.00 H new ATOM 0 HE2 TYR A 106 -8.834 -5.373 19.028 1.00 2.04 H new ATOM 0 HH TYR A 106 -10.140 -4.631 17.409 1.00 5.54 H new ATOM 1646 N ALA A 107 -3.065 -6.376 18.899 1.00 63.23 N ATOM 1647 CA ALA A 107 -3.054 -7.801 19.208 1.00 54.44 C ATOM 1648 C ALA A 107 -2.179 -8.568 18.221 1.00 25.53 C ATOM 1649 O ALA A 107 -2.664 -9.075 17.210 1.00 44.43 O ATOM 1650 CB ALA A 107 -4.471 -8.354 19.199 1.00 53.23 C ATOM 0 H ALA A 107 -2.578 -6.127 18.038 1.00 63.23 H new ATOM 0 HA ALA A 107 -2.632 -7.929 20.205 1.00 54.44 H new ATOM 0 HB1 ALA A 107 -4.448 -9.419 19.431 1.00 53.23 H new ATOM 0 HB2 ALA A 107 -5.070 -7.833 19.946 1.00 53.23 H new ATOM 0 HB3 ALA A 107 -4.913 -8.207 18.213 1.00 53.23 H new ATOM 1656 N ASP A 108 -0.888 -8.651 18.524 1.00 1.34 N ATOM 1657 CA ASP A 108 0.055 -9.357 17.665 1.00 2.42 C ATOM 1658 C ASP A 108 1.415 -9.488 18.343 1.00 63.04 C ATOM 1659 O ASP A 108 1.868 -10.593 18.640 1.00 0.23 O ATOM 1660 CB ASP A 108 0.206 -8.627 16.329 1.00 53.32 C ATOM 1661 CG ASP A 108 1.387 -9.133 15.523 1.00 4.11 C ATOM 1662 OD1 ASP A 108 2.506 -8.616 15.723 1.00 54.52 O ATOM 1663 OD2 ASP A 108 1.191 -10.045 14.692 1.00 44.23 O ATOM 0 H ASP A 108 -0.471 -8.238 19.358 1.00 1.34 H new ATOM 0 HA ASP A 108 -0.337 -10.357 17.482 1.00 2.42 H new ATOM 0 HB2 ASP A 108 -0.707 -8.749 15.746 1.00 53.32 H new ATOM 0 HB3 ASP A 108 0.326 -7.559 16.513 1.00 53.32 H new ATOM 1668 N GLY A 109 2.063 -8.352 18.585 1.00 40.03 N ATOM 1669 CA GLY A 109 3.365 -8.363 19.226 1.00 11.11 C ATOM 1670 C GLY A 109 4.425 -9.030 18.372 1.00 45.13 C ATOM 1671 O GLY A 109 4.608 -10.246 18.436 1.00 43.23 O ATOM 0 H GLY A 109 1.709 -7.425 18.349 1.00 40.03 H new ATOM 0 HA2 GLY A 109 3.669 -7.339 19.443 1.00 11.11 H new ATOM 0 HA3 GLY A 109 3.292 -8.883 20.181 1.00 11.11 H new ATOM 1675 N SER A 110 5.125 -8.235 17.570 1.00 15.41 N ATOM 1676 CA SER A 110 6.169 -8.756 16.696 1.00 31.23 C ATOM 1677 C SER A 110 7.533 -8.682 17.374 1.00 4.25 C ATOM 1678 O SER A 110 8.215 -9.694 17.537 1.00 24.03 O ATOM 1679 CB SER A 110 6.197 -7.978 15.379 1.00 11.52 C ATOM 1680 OG SER A 110 6.523 -8.826 14.291 1.00 65.54 O ATOM 0 H SER A 110 4.988 -7.226 17.507 1.00 15.41 H new ATOM 0 HA SER A 110 5.944 -9.802 16.486 1.00 31.23 H new ATOM 0 HB2 SER A 110 5.225 -7.516 15.205 1.00 11.52 H new ATOM 0 HB3 SER A 110 6.926 -7.171 15.446 1.00 11.52 H new ATOM 0 HG SER A 110 6.532 -8.305 13.461 1.00 65.54 H new ATOM 1686 N HIS A 111 7.925 -7.474 17.768 1.00 11.11 N ATOM 1687 CA HIS A 111 9.208 -7.265 18.430 1.00 12.42 C ATOM 1688 C HIS A 111 10.364 -7.626 17.501 1.00 0.04 C ATOM 1689 O HIS A 111 10.979 -8.683 17.640 1.00 32.21 O ATOM 1690 CB HIS A 111 9.288 -8.099 19.709 1.00 13.35 C ATOM 1691 CG HIS A 111 10.437 -7.728 20.595 1.00 42.03 C ATOM 1692 ND1 HIS A 111 10.292 -6.976 21.742 1.00 50.22 N ATOM 1693 CD2 HIS A 111 11.758 -8.012 20.498 1.00 12.03 C ATOM 1694 CE1 HIS A 111 11.473 -6.811 22.310 1.00 64.41 C ATOM 1695 NE2 HIS A 111 12.379 -7.431 21.576 1.00 52.04 N ATOM 0 H HIS A 111 7.373 -6.626 17.640 1.00 11.11 H new ATOM 0 HA HIS A 111 9.288 -6.209 18.688 1.00 12.42 H new ATOM 0 HB2 HIS A 111 8.358 -7.984 20.266 1.00 13.35 H new ATOM 0 HB3 HIS A 111 9.372 -9.152 19.441 1.00 13.35 H new ATOM 0 HD2 HIS A 111 12.234 -8.588 19.718 1.00 12.03 H new ATOM 0 HE1 HIS A 111 11.665 -6.262 23.220 1.00 64.41 H new ATOM 0 HE2 HIS A 111 13.378 -7.472 21.777 1.00 52.04 H new ATOM 1703 N HIS A 112 10.653 -6.740 16.552 1.00 23.13 N ATOM 1704 CA HIS A 112 11.735 -6.964 15.601 1.00 33.52 C ATOM 1705 C HIS A 112 13.090 -6.682 16.242 1.00 73.13 C ATOM 1706 O HIS A 112 13.167 -6.245 17.390 1.00 21.45 O ATOM 1707 CB HIS A 112 11.548 -6.083 14.365 1.00 24.05 C ATOM 1708 CG HIS A 112 11.018 -6.822 13.176 1.00 74.42 C ATOM 1709 ND1 HIS A 112 11.828 -7.318 12.176 1.00 12.33 N ATOM 1710 CD2 HIS A 112 9.751 -7.152 12.830 1.00 50.11 C ATOM 1711 CE1 HIS A 112 11.082 -7.918 11.265 1.00 44.20 C ATOM 1712 NE2 HIS A 112 9.818 -7.832 11.639 1.00 4.34 N ATOM 0 H HIS A 112 10.153 -5.861 16.422 1.00 23.13 H new ATOM 0 HA HIS A 112 11.708 -8.011 15.298 1.00 33.52 H new ATOM 0 HB2 HIS A 112 10.866 -5.269 14.610 1.00 24.05 H new ATOM 0 HB3 HIS A 112 12.505 -5.630 14.104 1.00 24.05 H new ATOM 0 HD2 HIS A 112 8.855 -6.923 13.387 1.00 50.11 H new ATOM 0 HE1 HIS A 112 11.444 -8.397 10.367 1.00 44.20 H new ATOM 0 HE2 HIS A 112 9.021 -8.209 11.126 1.00 4.34 H new ATOM 1720 N HIS A 113 14.158 -6.935 15.492 1.00 54.41 N ATOM 1721 CA HIS A 113 15.511 -6.708 15.987 1.00 21.42 C ATOM 1722 C HIS A 113 16.422 -6.209 14.870 1.00 74.22 C ATOM 1723 O HIS A 113 16.050 -6.227 13.696 1.00 20.41 O ATOM 1724 CB HIS A 113 16.079 -7.994 16.589 1.00 54.31 C ATOM 1725 CG HIS A 113 15.875 -9.200 15.725 1.00 54.24 C ATOM 1726 ND1 HIS A 113 16.687 -9.502 14.650 1.00 34.32 N ATOM 1727 CD2 HIS A 113 14.947 -10.183 15.781 1.00 30.00 C ATOM 1728 CE1 HIS A 113 16.265 -10.618 14.083 1.00 33.43 C ATOM 1729 NE2 HIS A 113 15.210 -11.052 14.750 1.00 25.33 N ATOM 0 H HIS A 113 14.113 -7.297 14.540 1.00 54.41 H new ATOM 0 HA HIS A 113 15.464 -5.943 16.762 1.00 21.42 H new ATOM 0 HB2 HIS A 113 17.146 -7.861 16.768 1.00 54.31 H new ATOM 0 HB3 HIS A 113 15.613 -8.169 17.559 1.00 54.31 H new ATOM 0 HD2 HIS A 113 14.148 -10.269 16.502 1.00 30.00 H new ATOM 0 HE1 HIS A 113 16.707 -11.095 13.221 1.00 33.43 H new ATOM 0 HE2 HIS A 113 14.678 -11.895 14.534 1.00 25.33 H new ATOM 1737 N HIS A 114 17.618 -5.762 15.242 1.00 74.21 N ATOM 1738 CA HIS A 114 18.582 -5.259 14.271 1.00 14.32 C ATOM 1739 C HIS A 114 19.895 -4.883 14.953 1.00 75.21 C ATOM 1740 O HIS A 114 19.942 -4.693 16.168 1.00 64.22 O ATOM 1741 CB HIS A 114 18.010 -4.045 13.536 1.00 43.33 C ATOM 1742 CG HIS A 114 18.299 -4.044 12.066 1.00 34.30 C ATOM 1743 ND1 HIS A 114 17.474 -4.642 11.137 1.00 55.02 N ATOM 1744 CD2 HIS A 114 19.329 -3.513 11.366 1.00 12.04 C ATOM 1745 CE1 HIS A 114 17.984 -4.479 9.929 1.00 32.14 C ATOM 1746 NE2 HIS A 114 19.109 -3.797 10.040 1.00 23.31 N ATOM 0 H HIS A 114 17.942 -5.738 16.209 1.00 74.21 H new ATOM 0 HA HIS A 114 18.782 -6.051 13.550 1.00 14.32 H new ATOM 0 HB2 HIS A 114 16.931 -4.015 13.686 1.00 43.33 H new ATOM 0 HB3 HIS A 114 18.419 -3.137 13.979 1.00 43.33 H new ATOM 0 HD2 HIS A 114 20.167 -2.968 11.774 1.00 12.04 H new ATOM 0 HE1 HIS A 114 17.554 -4.842 9.007 1.00 32.14 H new ATOM 0 HE2 HIS A 114 19.716 -3.525 9.267 1.00 23.31 H new ATOM 1754 N HIS A 115 20.958 -4.780 14.162 1.00 1.35 N ATOM 1755 CA HIS A 115 22.271 -4.428 14.689 1.00 2.24 C ATOM 1756 C HIS A 115 23.260 -4.168 13.557 1.00 3.42 C ATOM 1757 O HIS A 115 22.896 -4.204 12.381 1.00 73.05 O ATOM 1758 CB HIS A 115 22.797 -5.542 15.595 1.00 33.05 C ATOM 1759 CG HIS A 115 23.035 -6.834 14.877 1.00 72.32 C ATOM 1760 ND1 HIS A 115 22.024 -7.715 14.555 1.00 62.45 N ATOM 1761 CD2 HIS A 115 24.179 -7.392 14.415 1.00 20.33 C ATOM 1762 CE1 HIS A 115 22.536 -8.760 13.929 1.00 10.42 C ATOM 1763 NE2 HIS A 115 23.842 -8.588 13.831 1.00 32.22 N ATOM 0 H HIS A 115 20.936 -4.935 13.154 1.00 1.35 H new ATOM 0 HA HIS A 115 22.166 -3.514 15.273 1.00 2.24 H new ATOM 0 HB2 HIS A 115 23.729 -5.215 16.056 1.00 33.05 H new ATOM 0 HB3 HIS A 115 22.084 -5.710 16.402 1.00 33.05 H new ATOM 0 HD2 HIS A 115 25.172 -6.974 14.492 1.00 20.33 H new ATOM 0 HE1 HIS A 115 21.981 -9.610 13.560 1.00 10.42 H new ATOM 0 HE2 HIS A 115 24.494 -9.238 13.393 1.00 32.22 H new ATOM 1771 N HIS A 116 24.512 -3.904 13.920 1.00 53.04 N ATOM 1772 CA HIS A 116 25.553 -3.639 12.933 1.00 0.02 C ATOM 1773 C HIS A 116 25.237 -2.376 12.136 1.00 24.33 C ATOM 1774 O HIS A 116 24.160 -1.809 12.310 1.00 12.35 O ATOM 1775 CB HIS A 116 25.704 -4.829 11.986 1.00 71.44 C ATOM 1776 CG HIS A 116 26.980 -4.813 11.202 1.00 40.11 C ATOM 1777 ND1 HIS A 116 28.125 -4.183 11.642 1.00 3.23 N ATOM 1778 CD2 HIS A 116 27.289 -5.356 10.002 1.00 52.11 C ATOM 1779 CE1 HIS A 116 29.083 -4.337 10.745 1.00 75.22 C ATOM 1780 NE2 HIS A 116 28.601 -5.046 9.740 1.00 62.23 N ATOM 0 H HIS A 116 24.829 -3.868 14.889 1.00 53.04 H new ATOM 0 HA HIS A 116 26.492 -3.487 13.465 1.00 0.02 H new ATOM 0 HB2 HIS A 116 25.654 -5.752 12.564 1.00 71.44 H new ATOM 0 HB3 HIS A 116 24.862 -4.841 11.294 1.00 71.44 H new ATOM 0 HD2 HIS A 116 26.627 -5.927 9.368 1.00 52.11 H new ATOM 0 HE1 HIS A 116 30.088 -3.949 10.821 1.00 75.22 H new ATOM 0 HE2 HIS A 116 29.119 -5.319 8.905 1.00 62.23 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 19.423 34.398 1.695 1.00 51.02 C HETATM 1790 N2 B6D A 117 18.921 36.237 0.140 1.00 31.12 N HETATM 1791 C3 B6D A 117 21.223 35.265 0.160 1.00 11.05 C HETATM 1792 C4 B6D A 117 22.289 34.656 1.091 1.00 74.15 C HETATM 1793 C5 B6D A 117 21.724 33.440 1.854 1.00 72.20 C HETATM 1794 C6 B6D A 117 22.660 32.896 2.931 1.00 13.41 C HETATM 1795 C7 B6D A 117 18.383 35.640 -0.976 1.00 43.25 C HETATM 1796 C8 B6D A 117 17.182 36.375 -1.620 1.00 43.43 C HETATM 1797 C9 B6D A 117 24.895 32.897 -1.157 1.00 52.11 C HETATM 1798 C2 B6D A 117 19.972 35.650 0.984 1.00 33.24 C HETATM 1799 O7 B6D A 117 18.783 34.587 -1.441 1.00 4.25 O HETATM 1800 N4 B6D A 117 23.477 34.259 0.324 1.00 63.34 N HETATM 1801 C10 B6D A 117 23.507 33.216 -0.568 1.00 14.41 C HETATM 1802 O10 B6D A 117 22.522 32.583 -0.907 1.00 41.50 O HETATM 1803 O5 B6D A 117 20.481 33.837 2.558 1.00 3.22 O HETATM 1804 O3 B6D A 117 21.787 36.473 -0.470 1.00 14.24 O HETATM 0 HN4 B6D A 117 24.335 34.793 0.463 1.00 63.34 H new HETATM 0 HN2 B6D A 117 18.564 37.156 0.402 1.00 31.12 H new HETATM 0 H9B B6D A 117 25.274 33.770 -1.688 1.00 52.11 H new HETATM 0 H9A B6D A 117 25.581 32.636 -0.351 1.00 52.11 H new HETATM 0 H9 B6D A 117 24.813 32.059 -1.849 1.00 52.11 H new HETATM 0 H8B B6D A 117 16.371 36.452 -0.895 1.00 43.43 H new HETATM 0 H8A B6D A 117 17.490 37.374 -1.928 1.00 43.43 H new HETATM 0 H8 B6D A 117 16.838 35.817 -2.491 1.00 43.43 H new HETATM 0 H6B B6D A 117 23.598 32.582 2.473 1.00 13.41 H new HETATM 0 H6A B6D A 117 22.859 33.675 3.667 1.00 13.41 H new HETATM 0 H6 B6D A 117 22.192 32.043 3.422 1.00 13.41 H new HETATM 0 H5 B6D A 117 21.569 32.669 1.099 1.00 72.20 H new HETATM 0 H4 B6D A 117 22.575 35.418 1.816 1.00 74.15 H new HETATM 0 H3 B6D A 117 20.937 34.541 -0.603 1.00 11.05 H new HETATM 0 H2 B6D A 117 20.269 36.401 1.716 1.00 33.24 H new HETATM 1821 C1 A2G A 118 22.348 36.278 -1.832 1.00 71.02 C HETATM 1822 C2 A2G A 118 23.348 37.405 -2.133 1.00 72.00 C HETATM 1823 C3 A2G A 118 22.601 38.749 -2.044 1.00 13.25 C HETATM 1824 C4 A2G A 118 21.431 38.806 -3.122 1.00 63.33 C HETATM 1825 C5 A2G A 118 20.540 37.591 -2.977 1.00 30.42 C HETATM 1826 C6 A2G A 118 19.396 37.446 -3.990 1.00 14.54 C HETATM 1827 C7 A2G A 118 25.663 38.053 -1.447 1.00 3.33 C HETATM 1828 C8 A2G A 118 26.728 37.934 -0.340 1.00 51.42 C HETATM 1829 O A2G A 118 21.303 36.316 -2.882 1.00 54.25 O HETATM 1830 O3 A2G A 118 23.505 39.850 -2.188 1.00 72.54 O HETATM 1831 O4 A2G A 118 22.038 38.775 -4.465 1.00 1.13 O HETATM 1832 O6 A2G A 118 18.943 36.090 -4.054 1.00 20.34 O HETATM 1833 O7 A2G A 118 25.849 38.770 -2.417 1.00 25.43 O HETATM 1834 N2 A2G A 118 24.514 37.328 -1.243 1.00 52.22 N HETATM 0 HO3 A2G A 118 24.323 39.545 -2.633 1.00 72.54 H new HETATM 0 HN2 A2G A 118 24.468 36.707 -0.435 1.00 52.22 H new HETATM 0 H8B A2G A 118 26.310 38.280 0.605 1.00 51.42 H new HETATM 0 H8A A2G A 118 27.035 36.893 -0.241 1.00 51.42 H new HETATM 0 H8 A2G A 118 27.593 38.545 -0.600 1.00 51.42 H new HETATM 0 H6 A2G A 118 19.733 37.768 -4.975 1.00 14.54 H new HETATM 0 H5 A2G A 118 20.050 37.795 -2.025 1.00 30.42 H new HETATM 0 H4 A2G A 118 20.843 39.712 -2.976 1.00 63.33 H new HETATM 0 H3 A2G A 118 22.150 38.829 -1.055 1.00 13.25 H new HETATM 0 H2 A2G A 118 23.749 37.303 -3.141 1.00 72.00 H new HETATM 0 H15 A2G A 118 18.007 36.071 -4.343 1.00 20.34 H new HETATM 0 H14 A2G A 118 18.569 38.097 -3.707 1.00 14.54 H new HETATM 1848 C1 A2G A 119 21.398 39.660 -5.473 1.00 43.13 C HETATM 1849 C2 A2G A 119 21.658 39.096 -6.878 1.00 13.05 C HETATM 1850 C3 A2G A 119 23.181 39.035 -7.101 1.00 14.24 C HETATM 1851 C4 A2G A 119 23.811 40.493 -7.015 1.00 74.12 C HETATM 1852 C5 A2G A 119 23.401 41.156 -5.717 1.00 32.32 C HETATM 1853 C6 A2G A 119 23.864 42.603 -5.501 1.00 3.54 C HETATM 1854 C7 A2G A 119 20.377 37.424 -8.227 1.00 71.45 C HETATM 1855 C8 A2G A 119 19.645 36.069 -8.189 1.00 72.43 C HETATM 1856 O A2G A 119 21.942 41.038 -5.439 1.00 14.14 O HETATM 1857 O3 A2G A 119 23.493 38.398 -8.343 1.00 74.04 O HETATM 1858 O4 A2G A 119 23.276 41.295 -8.131 1.00 40.40 O HETATM 1859 O6 A2G A 119 23.837 42.942 -4.111 1.00 23.12 O HETATM 1860 O7 A2G A 119 20.407 38.087 -9.250 1.00 42.20 O HETATM 1861 N2 A2G A 119 20.992 37.797 -7.056 1.00 14.53 N HETATM 0 HO3 A2G A 119 24.465 38.373 -8.463 1.00 74.04 H new HETATM 0 HN2 A2G A 119 20.986 37.142 -6.274 1.00 14.53 H new HETATM 0 H8B A2G A 119 20.356 35.278 -7.950 1.00 72.43 H new HETATM 0 H8A A2G A 119 18.865 36.098 -7.428 1.00 72.43 H new HETATM 0 H8 A2G A 119 19.195 35.871 -9.162 1.00 72.43 H new HETATM 0 H6 A2G A 119 23.220 43.283 -6.059 1.00 3.54 H new HETATM 0 H5 A2G A 119 23.961 40.570 -4.988 1.00 32.32 H new HETATM 0 H4 A2G A 119 24.898 40.424 -7.064 1.00 74.12 H new HETATM 0 H3 A2G A 119 23.624 38.431 -6.309 1.00 14.24 H new HETATM 0 H2 A2G A 119 21.228 39.748 -7.639 1.00 13.05 H new HETATM 0 H15 A2G A 119 24.137 43.868 -3.994 1.00 23.12 H new HETATM 0 H14 A2G A 119 24.874 42.729 -5.891 1.00 3.54 H new HETATM 1875 C1 A2G A 120 24.283 42.081 -8.890 1.00 54.24 C HETATM 1876 C2 A2G A 120 23.618 43.346 -9.455 1.00 65.05 C HETATM 1877 C3 A2G A 120 22.463 42.913 -10.376 1.00 75.55 C HETATM 1878 C4 A2G A 120 23.017 42.047 -11.590 1.00 72.25 C HETATM 1879 C5 A2G A 120 23.852 40.898 -11.063 1.00 53.45 C HETATM 1880 C6 A2G A 120 24.530 39.998 -12.107 1.00 0.02 C HETATM 1881 C7 A2G A 120 24.069 45.018 -7.651 1.00 1.14 C HETATM 1882 C8 A2G A 120 23.434 45.892 -6.553 1.00 22.23 C HETATM 1883 O A2G A 120 24.843 41.323 -10.035 1.00 5.14 O HETATM 1884 O3 A2G A 120 21.718 44.046 -10.835 1.00 5.01 O HETATM 1885 O4 A2G A 120 23.884 42.907 -12.415 1.00 54.55 O HETATM 1886 O6 A2G A 120 24.564 38.640 -11.658 1.00 43.33 O HETATM 1887 O7 A2G A 120 25.272 45.049 -7.855 1.00 21.54 O HETATM 1888 N2 A2G A 120 23.192 44.245 -8.374 1.00 44.44 N HETATM 0 HN2 A2G A 120 22.198 44.298 -8.149 1.00 44.44 H new HETATM 0 H8B A2G A 120 22.719 46.580 -7.004 1.00 22.23 H new HETATM 0 H8A A2G A 120 22.921 45.255 -5.833 1.00 22.23 H new HETATM 0 H8 A2G A 120 24.213 46.460 -6.045 1.00 22.23 H new HETATM 0 H6 A2G A 120 25.545 40.350 -12.294 1.00 0.02 H new HETATM 0 H5 A2G A 120 23.090 40.270 -10.600 1.00 53.45 H new HETATM 0 H4 A2G A 120 22.182 41.657 -12.172 1.00 72.25 H new HETATM 0 H3 A2G A 120 21.779 42.288 -9.802 1.00 75.55 H new HETATM 0 H2 A2G A 120 24.329 43.923 -10.046 1.00 65.05 H new HETATM 0 H15 A2G A 120 24.998 38.082 -12.337 1.00 43.33 H new HETATM 0 H14 A2G A 120 23.992 40.060 -13.053 1.00 0.02 H new HETATM 1901 C1 A2G A 121 23.612 42.872 -13.876 1.00 44.45 C HETATM 1902 C2 A2G A 121 24.943 42.957 -14.640 1.00 72.35 C HETATM 1903 C3 A2G A 121 25.640 44.274 -14.251 1.00 5.41 C HETATM 1904 C4 A2G A 121 24.739 45.520 -14.661 1.00 60.13 C HETATM 1905 C5 A2G A 121 23.348 45.361 -14.084 1.00 72.44 C HETATM 1906 C6 A2G A 121 22.320 46.442 -14.444 1.00 2.25 C HETATM 1907 C7 A2G A 121 25.912 40.749 -15.304 1.00 53.33 C HETATM 1908 C8 A2G A 121 26.756 39.549 -14.833 1.00 14.55 C HETATM 1909 O A2G A 121 22.771 44.008 -14.320 1.00 11.02 O HETATM 1910 O3 A2G A 121 26.947 44.355 -14.831 1.00 1.14 O HETATM 1911 O4 A2G A 121 24.627 45.546 -16.130 1.00 54.54 O HETATM 1912 O6 A2G A 121 21.076 45.850 -14.830 1.00 31.03 O HETATM 1913 O7 A2G A 121 25.433 40.772 -16.426 1.00 14.33 O HETATM 1914 N2 A2G A 121 25.770 41.767 -14.393 1.00 11.32 N HETATM 0 HO3 A2G A 121 27.368 45.201 -14.571 1.00 1.14 H new HETATM 0 HN2 A2G A 121 26.262 41.694 -13.502 1.00 11.32 H new HETATM 0 H8B A2G A 121 27.764 39.886 -14.590 1.00 14.55 H new HETATM 0 H8A A2G A 121 26.298 39.107 -13.948 1.00 14.55 H new HETATM 0 H8 A2G A 121 26.804 38.804 -15.627 1.00 14.55 H new HETATM 0 H6 A2G A 121 22.703 47.058 -15.258 1.00 2.25 H new HETATM 0 H5 A2G A 121 23.539 45.497 -13.019 1.00 72.44 H new HETATM 0 H4 A2G A 121 25.191 46.437 -14.283 1.00 60.13 H new HETATM 0 H3 A2G A 121 25.766 44.293 -13.168 1.00 5.41 H new HETATM 0 H2 A2G A 121 24.768 42.968 -15.716 1.00 72.35 H new HETATM 0 H15 A2G A 121 21.149 44.874 -14.781 1.00 31.03 H new HETATM 0 H14 A2G A 121 22.165 47.102 -13.590 1.00 2.25 H new HETATM 1928 C1 A2G A 122 24.901 46.861 -16.767 1.00 13.35 C HETATM 1929 C2 A2G A 122 24.353 46.853 -18.203 1.00 60.21 C HETATM 1930 C3 A2G A 122 25.053 45.721 -18.979 1.00 31.01 C HETATM 1931 C4 A2G A 122 26.622 45.976 -19.036 1.00 4.30 C HETATM 1932 C5 A2G A 122 27.159 46.191 -17.636 1.00 71.11 C HETATM 1933 C6 A2G A 122 28.652 46.526 -17.511 1.00 64.33 C HETATM 1934 C7 A2G A 122 22.222 45.586 -17.875 1.00 41.01 C HETATM 1935 C8 A2G A 122 20.687 45.698 -17.818 1.00 62.11 C HETATM 1936 O A2G A 122 26.349 47.160 -16.845 1.00 65.15 O HETATM 1937 O3 A2G A 122 24.494 45.575 -20.288 1.00 53.12 O HETATM 1938 O4 A2G A 122 26.863 47.203 -19.815 1.00 40.53 O HETATM 1939 O6 A2G A 122 29.389 45.389 -17.049 1.00 35.40 O HETATM 1940 O7 A2G A 122 22.780 44.533 -17.615 1.00 70.14 O HETATM 1941 N2 A2G A 122 22.888 46.741 -18.208 1.00 41.03 N HETATM 0 HO4 A2G A 122 26.827 47.981 -19.220 1.00 40.53 H new HETATM 0 HO3 A2G A 122 24.955 44.852 -20.762 1.00 53.12 H new HETATM 0 HN2 A2G A 122 22.339 47.559 -18.471 1.00 41.03 H new HETATM 0 H8B A2G A 122 20.404 46.441 -17.073 1.00 62.11 H new HETATM 0 H8A A2G A 122 20.308 46.000 -18.794 1.00 62.11 H new HETATM 0 H8 A2G A 122 20.262 44.732 -17.547 1.00 62.11 H new HETATM 0 H6 A2G A 122 28.786 47.358 -16.820 1.00 64.33 H new HETATM 0 H5 A2G A 122 27.057 45.194 -17.208 1.00 71.11 H new HETATM 0 H4 A2G A 122 27.116 45.117 -19.491 1.00 4.30 H new HETATM 0 H3 A2G A 122 24.886 44.783 -18.450 1.00 31.01 H new HETATM 0 H2 A2G A 122 24.571 47.797 -18.703 1.00 60.21 H new HETATM 0 H15 A2G A 122 30.338 45.622 -16.977 1.00 35.40 H new HETATM 0 H14 A2G A 122 29.040 46.849 -18.477 1.00 64.33 H new HETATM 1955 C2 BGC A 123 19.616 45.125 -11.475 1.00 31.50 C HETATM 1956 C3 BGC A 123 18.317 45.038 -12.304 1.00 64.25 C HETATM 1957 C4 BGC A 123 18.487 44.210 -13.593 1.00 21.54 C HETATM 1958 C5 BGC A 123 19.131 42.845 -13.291 1.00 41.34 C HETATM 1959 C6 BGC A 123 19.383 41.958 -14.518 1.00 44.54 C HETATM 1960 C1 BGC A 123 20.367 43.784 -11.352 1.00 72.45 C HETATM 1961 O2 BGC A 123 19.269 45.553 -10.146 1.00 51.31 O HETATM 1962 O3 BGC A 123 17.944 46.377 -12.677 1.00 34.14 O HETATM 1963 O4 BGC A 123 17.183 43.977 -14.154 1.00 1.21 O HETATM 1964 O5 BGC A 123 20.443 43.122 -12.671 1.00 21.25 O HETATM 1965 O6 BGC A 123 18.650 40.734 -14.358 1.00 45.33 O HETATM 0 H6C2 BGC A 123 19.068 42.471 -15.427 1.00 44.54 H new HETATM 0 H6C1 BGC A 123 20.448 41.750 -14.622 1.00 44.54 H new HETATM 0 HD BGC A 123 17.271 43.748 -15.103 1.00 1.21 H new HETATM 0 HC BGC A 123 17.120 46.351 -13.207 1.00 34.14 H new HETATM 0 HB BGC A 123 20.080 45.614 -9.600 1.00 51.31 H new HETATM 0 H6 BGC A 123 18.801 40.158 -15.137 1.00 45.33 H new HETATM 0 H5 BGC A 123 18.433 42.298 -12.657 1.00 41.34 H new HETATM 0 H4 BGC A 123 19.129 44.759 -14.282 1.00 21.54 H new HETATM 0 H3 BGC A 123 17.560 44.546 -11.694 1.00 64.25 H new HETATM 0 H2 BGC A 123 20.276 45.822 -11.992 1.00 31.50 H new