USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O3 : rot 180:sc= -0.207 USER MOD Set 1.2: A 122 A2G O6 : rot 180:sc= 0 USER MOD Set 2.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 3.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 34 GLN :FLIP amide:sc= -5.57! C(o=-6.5!,f=-5.2!) USER MOD Set 4.2: A 68 THR OG1 : rot -150:sc= 0.376 USER MOD Single : A 1 ASP N :NH3+ -169:sc= 1.2 (180deg=0.831) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 0.00439 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0425 X(o=-0.042,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 36 GLN : amide:sc= -0.881 X(o=-0.88,f=-1.4!) USER MOD Single : A 38 SER OG : rot 60:sc= 0.456 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.0132 (180deg=-0.149) USER MOD Single : A 44 SER OG : rot -100:sc= -1.8 USER MOD Single : A 45 LYS NZ :NH3+ -114:sc= -0.252 (180deg=-1.48) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.691 K(o=-0.69,f=-1.6) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.162 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.486 F(o=-1.8,f=-0.49) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.74) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -1:sc= 0.846 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 60:sc= -1.01 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 101 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.04) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.064) 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 HE2:sc= 0.926 K(o=0.93,f=-3.4!) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.0747 K(o=-0.075,f=-0.97) USER MOD Single : A 114 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=-0.11) USER MOD Single : A 116 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.38) USER MOD Single : A 118 A2G O6 : rot -12:sc= 0.0879 USER MOD Single : A 121 A2G O6 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot -94:sc= 0.906 USER MOD Single : A 123 BGC O6 : rot -53:sc= 0.953 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 3.291 -0.114 0.418 1.00 1.44 N ATOM 2 CA ASP A 1 2.206 0.583 -0.263 1.00 40.41 C ATOM 3 C ASP A 1 2.716 1.852 -0.940 1.00 3.05 C ATOM 4 O ASP A 1 2.368 2.140 -2.085 1.00 21.32 O ATOM 5 CB ASP A 1 1.093 0.931 0.727 1.00 63.34 C ATOM 6 CG ASP A 1 -0.239 0.321 0.336 1.00 53.23 C ATOM 7 OD1 ASP A 1 -0.378 -0.916 0.434 1.00 72.13 O ATOM 8 OD2 ASP A 1 -1.143 1.083 -0.068 1.00 22.43 O ATOM 0 H1 ASP A 1 2.968 -1.058 0.710 1.00 1.44 H new ATOM 0 H2 ASP A 1 4.101 -0.209 -0.227 1.00 1.44 H new ATOM 0 H3 ASP A 1 3.579 0.428 1.258 1.00 1.44 H new ATOM 0 HA ASP A 1 1.805 -0.081 -1.029 1.00 40.41 H new ATOM 0 HB2 ASP A 1 1.372 0.581 1.721 1.00 63.34 H new ATOM 0 HB3 ASP A 1 0.990 2.014 0.788 1.00 63.34 H new ATOM 13 N VAL A 2 3.543 2.608 -0.223 1.00 61.40 N ATOM 14 CA VAL A 2 4.100 3.846 -0.754 1.00 64.31 C ATOM 15 C VAL A 2 5.400 4.211 -0.046 1.00 14.03 C ATOM 16 O VAL A 2 5.739 3.633 0.988 1.00 35.02 O ATOM 17 CB VAL A 2 3.107 5.013 -0.616 1.00 12.42 C ATOM 18 CG1 VAL A 2 3.349 5.770 0.682 1.00 74.43 C ATOM 19 CG2 VAL A 2 3.211 5.947 -1.813 1.00 24.50 C ATOM 0 H VAL A 2 3.841 2.384 0.726 1.00 61.40 H new ATOM 0 HA VAL A 2 4.301 3.675 -1.811 1.00 64.31 H new ATOM 0 HB VAL A 2 2.097 4.605 -0.589 1.00 12.42 H new ATOM 0 HG11 VAL A 2 2.637 6.592 0.762 1.00 74.43 H new ATOM 0 HG12 VAL A 2 3.219 5.094 1.527 1.00 74.43 H new ATOM 0 HG13 VAL A 2 4.364 6.167 0.688 1.00 74.43 H new ATOM 0 HG21 VAL A 2 2.501 6.766 -1.698 1.00 24.50 H new ATOM 0 HG22 VAL A 2 4.222 6.349 -1.874 1.00 24.50 H new ATOM 0 HG23 VAL A 2 2.984 5.396 -2.725 1.00 24.50 H new ATOM 29 N ILE A 3 6.123 5.173 -0.607 1.00 41.42 N ATOM 30 CA ILE A 3 7.385 5.618 -0.028 1.00 61.20 C ATOM 31 C ILE A 3 7.354 7.111 0.278 1.00 13.45 C ATOM 32 O ILE A 3 7.491 7.942 -0.621 1.00 25.14 O ATOM 33 CB ILE A 3 8.570 5.322 -0.965 1.00 71.22 C ATOM 34 CG1 ILE A 3 8.708 3.814 -1.188 1.00 22.41 C ATOM 35 CG2 ILE A 3 9.856 5.898 -0.392 1.00 1.03 C ATOM 36 CD1 ILE A 3 9.978 3.424 -1.911 1.00 31.20 C ATOM 0 H ILE A 3 5.857 5.660 -1.463 1.00 41.42 H new ATOM 0 HA ILE A 3 7.519 5.062 0.900 1.00 61.20 H new ATOM 0 HB ILE A 3 8.380 5.797 -1.928 1.00 71.22 H new ATOM 0 HG12 ILE A 3 8.679 3.308 -0.223 1.00 22.41 H new ATOM 0 HG13 ILE A 3 7.850 3.459 -1.760 1.00 22.41 H new ATOM 0 HG21 ILE A 3 10.684 5.680 -1.066 1.00 1.03 H new ATOM 0 HG22 ILE A 3 9.753 6.977 -0.280 1.00 1.03 H new ATOM 0 HG23 ILE A 3 10.053 5.450 0.582 1.00 1.03 H new ATOM 0 HD11 ILE A 3 10.009 2.341 -2.034 1.00 31.20 H new ATOM 0 HD12 ILE A 3 10.000 3.902 -2.891 1.00 31.20 H new ATOM 0 HD13 ILE A 3 10.842 3.748 -1.330 1.00 31.20 H new ATOM 48 N ILE A 4 7.174 7.445 1.552 1.00 0.30 N ATOM 49 CA ILE A 4 7.129 8.839 1.976 1.00 32.10 C ATOM 50 C ILE A 4 8.415 9.569 1.604 1.00 2.23 C ATOM 51 O ILE A 4 9.498 9.221 2.075 1.00 11.12 O ATOM 52 CB ILE A 4 6.904 8.958 3.495 1.00 24.24 C ATOM 53 CG1 ILE A 4 5.644 8.195 3.908 1.00 51.22 C ATOM 54 CG2 ILE A 4 6.803 10.420 3.903 1.00 5.11 C ATOM 55 CD1 ILE A 4 5.486 8.055 5.406 1.00 53.14 C ATOM 0 H ILE A 4 7.057 6.770 2.308 1.00 0.30 H new ATOM 0 HA ILE A 4 6.290 9.300 1.456 1.00 32.10 H new ATOM 0 HB ILE A 4 7.758 8.516 4.009 1.00 24.24 H new ATOM 0 HG12 ILE A 4 4.770 8.707 3.505 1.00 51.22 H new ATOM 0 HG13 ILE A 4 5.667 7.202 3.459 1.00 51.22 H new ATOM 0 HG21 ILE A 4 6.644 10.487 4.979 1.00 5.11 H new ATOM 0 HG22 ILE A 4 7.726 10.936 3.640 1.00 5.11 H new ATOM 0 HG23 ILE A 4 5.966 10.886 3.383 1.00 5.11 H new ATOM 0 HD11 ILE A 4 4.572 7.504 5.625 1.00 53.14 H new ATOM 0 HD12 ILE A 4 6.341 7.516 5.813 1.00 53.14 H new ATOM 0 HD13 ILE A 4 5.431 9.044 5.860 1.00 53.14 H new ATOM 67 N LYS A 5 8.288 10.586 0.759 1.00 64.43 N ATOM 68 CA LYS A 5 9.438 11.369 0.325 1.00 44.31 C ATOM 69 C LYS A 5 9.149 12.863 0.423 1.00 14.14 C ATOM 70 O LYS A 5 7.998 13.299 0.396 1.00 15.32 O ATOM 71 CB LYS A 5 9.817 11.006 -1.113 1.00 60.42 C ATOM 72 CG LYS A 5 10.246 9.559 -1.283 1.00 21.24 C ATOM 73 CD LYS A 5 11.107 9.374 -2.520 1.00 50.14 C ATOM 74 CE LYS A 5 11.580 7.935 -2.661 1.00 10.40 C ATOM 75 NZ LYS A 5 10.694 7.145 -3.560 1.00 41.32 N ATOM 0 H LYS A 5 7.399 10.887 0.361 1.00 64.43 H new ATOM 0 HA LYS A 5 10.273 11.134 0.985 1.00 44.31 H new ATOM 0 HB2 LYS A 5 8.966 11.203 -1.765 1.00 60.42 H new ATOM 0 HB3 LYS A 5 10.627 11.657 -1.442 1.00 60.42 H new ATOM 0 HG2 LYS A 5 10.800 9.237 -0.401 1.00 21.24 H new ATOM 0 HG3 LYS A 5 9.364 8.923 -1.354 1.00 21.24 H new ATOM 0 HD2 LYS A 5 10.539 9.660 -3.406 1.00 50.14 H new ATOM 0 HD3 LYS A 5 11.970 10.038 -2.466 1.00 50.14 H new ATOM 0 HE2 LYS A 5 12.597 7.924 -3.052 1.00 10.40 H new ATOM 0 HE3 LYS A 5 11.612 7.465 -1.678 1.00 10.40 H new ATOM 0 HZ1 LYS A 5 11.050 6.170 -3.630 1.00 41.32 H new ATOM 0 HZ2 LYS A 5 9.728 7.134 -3.174 1.00 41.32 H new ATOM 0 HZ3 LYS A 5 10.684 7.578 -4.505 1.00 41.32 H new ATOM 89 N PRO A 6 10.215 13.667 0.540 1.00 2.41 N ATOM 90 CA PRO A 6 10.100 15.125 0.644 1.00 52.31 C ATOM 91 C PRO A 6 9.639 15.764 -0.662 1.00 30.42 C ATOM 92 O PRO A 6 9.379 15.070 -1.645 1.00 2.13 O ATOM 93 CB PRO A 6 11.525 15.570 0.983 1.00 15.42 C ATOM 94 CG PRO A 6 12.398 14.493 0.439 1.00 32.04 C ATOM 95 CD PRO A 6 11.616 13.217 0.581 1.00 61.35 C ATOM 0 HA PRO A 6 9.358 15.424 1.385 1.00 52.31 H new ATOM 0 HB2 PRO A 6 11.757 16.534 0.530 1.00 15.42 H new ATOM 0 HB3 PRO A 6 11.659 15.683 2.059 1.00 15.42 H new ATOM 0 HG2 PRO A 6 12.649 14.683 -0.605 1.00 32.04 H new ATOM 0 HG3 PRO A 6 13.338 14.438 0.988 1.00 32.04 H new ATOM 0 HD2 PRO A 6 11.837 12.519 -0.226 1.00 61.35 H new ATOM 0 HD3 PRO A 6 11.847 12.707 1.516 1.00 61.35 H new ATOM 103 N GLN A 7 9.540 17.090 -0.664 1.00 31.43 N ATOM 104 CA GLN A 7 9.110 17.821 -1.850 1.00 34.23 C ATOM 105 C GLN A 7 10.262 18.624 -2.442 1.00 15.32 C ATOM 106 O GLN A 7 10.125 19.240 -3.499 1.00 72.31 O ATOM 107 CB GLN A 7 7.946 18.753 -1.506 1.00 72.01 C ATOM 108 CG GLN A 7 7.351 19.455 -2.716 1.00 12.13 C ATOM 109 CD GLN A 7 5.840 19.558 -2.646 1.00 1.14 C ATOM 110 OE1 GLN A 7 5.139 19.216 -3.598 1.00 53.22 O ATOM 111 NE2 GLN A 7 5.331 20.032 -1.515 1.00 54.31 N ATOM 0 H GLN A 7 9.752 17.679 0.141 1.00 31.43 H new ATOM 0 HA GLN A 7 8.778 17.096 -2.593 1.00 34.23 H new ATOM 0 HB2 GLN A 7 7.165 18.177 -1.010 1.00 72.01 H new ATOM 0 HB3 GLN A 7 8.290 19.503 -0.794 1.00 72.01 H new ATOM 0 HG2 GLN A 7 7.776 20.455 -2.796 1.00 12.13 H new ATOM 0 HG3 GLN A 7 7.633 18.915 -3.620 1.00 12.13 H new ATOM 0 HE21 GLN A 7 5.950 20.303 -0.751 1.00 54.31 H new ATOM 0 HE22 GLN A 7 4.321 20.125 -1.410 1.00 54.31 H new ATOM 120 N VAL A 8 11.399 18.614 -1.754 1.00 22.02 N ATOM 121 CA VAL A 8 12.577 19.341 -2.212 1.00 13.42 C ATOM 122 C VAL A 8 13.857 18.604 -1.839 1.00 43.43 C ATOM 123 O VAL A 8 13.819 17.568 -1.177 1.00 23.32 O ATOM 124 CB VAL A 8 12.624 20.763 -1.620 1.00 42.04 C ATOM 125 CG1 VAL A 8 11.506 21.619 -2.194 1.00 62.10 C ATOM 126 CG2 VAL A 8 12.542 20.709 -0.102 1.00 12.33 C ATOM 0 H VAL A 8 11.529 18.110 -0.877 1.00 22.02 H new ATOM 0 HA VAL A 8 12.505 19.410 -3.297 1.00 13.42 H new ATOM 0 HB VAL A 8 13.574 21.221 -1.894 1.00 42.04 H new ATOM 0 HG11 VAL A 8 11.556 22.619 -1.764 1.00 62.10 H new ATOM 0 HG12 VAL A 8 11.616 21.684 -3.276 1.00 62.10 H new ATOM 0 HG13 VAL A 8 10.543 21.169 -1.954 1.00 62.10 H new ATOM 0 HG21 VAL A 8 12.576 21.721 0.300 1.00 12.33 H new ATOM 0 HG22 VAL A 8 11.608 20.232 0.195 1.00 12.33 H new ATOM 0 HG23 VAL A 8 13.383 20.135 0.288 1.00 12.33 H new ATOM 136 N SER A 9 14.993 19.146 -2.269 1.00 53.13 N ATOM 137 CA SER A 9 16.287 18.537 -1.984 1.00 3.54 C ATOM 138 C SER A 9 17.077 19.384 -0.990 1.00 2.04 C ATOM 139 O SER A 9 17.308 20.572 -1.214 1.00 22.52 O ATOM 140 CB SER A 9 17.089 18.364 -3.274 1.00 33.31 C ATOM 141 OG SER A 9 16.243 18.409 -4.410 1.00 34.24 O ATOM 0 H SER A 9 15.043 20.006 -2.816 1.00 53.13 H new ATOM 0 HA SER A 9 16.110 17.557 -1.541 1.00 3.54 H new ATOM 0 HB2 SER A 9 17.842 19.149 -3.346 1.00 33.31 H new ATOM 0 HB3 SER A 9 17.621 17.413 -3.250 1.00 33.31 H new ATOM 0 HG SER A 9 16.780 18.298 -5.222 1.00 34.24 H new ATOM 147 N GLY A 10 17.491 18.762 0.110 1.00 64.21 N ATOM 148 CA GLY A 10 18.251 19.472 1.123 1.00 71.25 C ATOM 149 C GLY A 10 18.896 18.537 2.125 1.00 4.13 C ATOM 150 O GLY A 10 19.603 17.602 1.749 1.00 44.45 O ATOM 0 H GLY A 10 17.314 17.779 0.318 1.00 64.21 H new ATOM 0 HA2 GLY A 10 19.023 20.071 0.640 1.00 71.25 H new ATOM 0 HA3 GLY A 10 17.593 20.164 1.648 1.00 71.25 H new ATOM 154 N VAL A 11 18.654 18.788 3.408 1.00 50.33 N ATOM 155 CA VAL A 11 19.216 17.962 4.469 1.00 41.15 C ATOM 156 C VAL A 11 18.186 17.691 5.559 1.00 24.14 C ATOM 157 O VAL A 11 17.460 18.592 5.980 1.00 43.10 O ATOM 158 CB VAL A 11 20.454 18.627 5.101 1.00 24.23 C ATOM 159 CG1 VAL A 11 21.056 17.727 6.169 1.00 23.14 C ATOM 160 CG2 VAL A 11 21.484 18.961 4.032 1.00 35.23 C ATOM 0 H VAL A 11 18.072 19.558 3.737 1.00 50.33 H new ATOM 0 HA VAL A 11 19.513 17.018 4.012 1.00 41.15 H new ATOM 0 HB VAL A 11 20.142 19.557 5.576 1.00 24.23 H new ATOM 0 HG11 VAL A 11 21.929 18.213 6.604 1.00 23.14 H new ATOM 0 HG12 VAL A 11 20.317 17.543 6.949 1.00 23.14 H new ATOM 0 HG13 VAL A 11 21.354 16.779 5.721 1.00 23.14 H new ATOM 0 HG21 VAL A 11 22.351 19.430 4.496 1.00 35.23 H new ATOM 0 HG22 VAL A 11 21.793 18.046 3.526 1.00 35.23 H new ATOM 0 HG23 VAL A 11 21.046 19.646 3.306 1.00 35.23 H new ATOM 170 N ILE A 12 18.128 16.444 6.013 1.00 24.43 N ATOM 171 CA ILE A 12 17.187 16.053 7.056 1.00 2.42 C ATOM 172 C ILE A 12 17.327 16.948 8.284 1.00 54.12 C ATOM 173 O ILE A 12 18.435 17.312 8.679 1.00 73.03 O ATOM 174 CB ILE A 12 17.391 14.586 7.478 1.00 13.15 C ATOM 175 CG1 ILE A 12 17.206 13.657 6.277 1.00 34.34 C ATOM 176 CG2 ILE A 12 16.425 14.218 8.595 1.00 32.33 C ATOM 177 CD1 ILE A 12 15.798 13.657 5.725 1.00 12.42 C ATOM 0 H ILE A 12 18.722 15.686 5.675 1.00 24.43 H new ATOM 0 HA ILE A 12 16.187 16.166 6.638 1.00 2.42 H new ATOM 0 HB ILE A 12 18.408 14.468 7.851 1.00 13.15 H new ATOM 0 HG12 ILE A 12 17.897 13.954 5.488 1.00 34.34 H new ATOM 0 HG13 ILE A 12 17.473 12.641 6.569 1.00 34.34 H new ATOM 0 HG21 ILE A 12 16.581 13.178 8.883 1.00 32.33 H new ATOM 0 HG22 ILE A 12 16.601 14.863 9.456 1.00 32.33 H new ATOM 0 HG23 ILE A 12 15.400 14.349 8.247 1.00 32.33 H new ATOM 0 HD11 ILE A 12 15.740 12.976 4.876 1.00 12.42 H new ATOM 0 HD12 ILE A 12 15.104 13.331 6.499 1.00 12.42 H new ATOM 0 HD13 ILE A 12 15.534 14.664 5.402 1.00 12.42 H new ATOM 189 N VAL A 13 16.194 17.298 8.886 1.00 50.30 N ATOM 190 CA VAL A 13 16.188 18.147 10.070 1.00 5.34 C ATOM 191 C VAL A 13 15.709 17.378 11.296 1.00 14.54 C ATOM 192 O VAL A 13 16.216 17.570 12.400 1.00 43.34 O ATOM 193 CB VAL A 13 15.292 19.384 9.871 1.00 72.15 C ATOM 194 CG1 VAL A 13 15.485 20.374 11.009 1.00 2.25 C ATOM 195 CG2 VAL A 13 15.582 20.040 8.529 1.00 21.20 C ATOM 0 H VAL A 13 15.268 17.006 8.572 1.00 50.30 H new ATOM 0 HA VAL A 13 17.216 18.474 10.229 1.00 5.34 H new ATOM 0 HB VAL A 13 14.251 19.061 9.876 1.00 72.15 H new ATOM 0 HG11 VAL A 13 14.843 21.241 10.850 1.00 2.25 H new ATOM 0 HG12 VAL A 13 15.224 19.898 11.954 1.00 2.25 H new ATOM 0 HG13 VAL A 13 16.526 20.694 11.040 1.00 2.25 H new ATOM 0 HG21 VAL A 13 14.940 20.912 8.404 1.00 21.20 H new ATOM 0 HG22 VAL A 13 16.626 20.350 8.494 1.00 21.20 H new ATOM 0 HG23 VAL A 13 15.387 19.329 7.727 1.00 21.20 H new ATOM 205 N ASN A 14 14.726 16.506 11.093 1.00 42.04 N ATOM 206 CA ASN A 14 14.177 15.706 12.182 1.00 54.41 C ATOM 207 C ASN A 14 13.221 14.644 11.649 1.00 71.03 C ATOM 208 O ASN A 14 12.921 14.607 10.454 1.00 34.35 O ATOM 209 CB ASN A 14 13.449 16.605 13.185 1.00 62.12 C ATOM 210 CG ASN A 14 13.414 16.006 14.578 1.00 60.44 C ATOM 211 OD1 ASN A 14 14.123 15.042 14.870 1.00 74.25 O ATOM 212 ND2 ASN A 14 12.586 16.575 15.446 1.00 63.25 N ATOM 0 H ASN A 14 14.294 16.336 10.185 1.00 42.04 H new ATOM 0 HA ASN A 14 15.004 15.205 12.685 1.00 54.41 H new ATOM 0 HB2 ASN A 14 13.942 17.577 13.222 1.00 62.12 H new ATOM 0 HB3 ASN A 14 12.429 16.778 12.841 1.00 62.12 H new ATOM 0 HD21 ASN A 14 12.519 16.215 16.398 1.00 63.25 H new ATOM 0 HD22 ASN A 14 12.017 17.372 15.161 1.00 63.25 H new ATOM 219 N LYS A 15 12.745 13.782 12.541 1.00 55.22 N ATOM 220 CA LYS A 15 11.821 12.720 12.162 1.00 41.03 C ATOM 221 C LYS A 15 10.746 12.528 13.227 1.00 71.12 C ATOM 222 O LYS A 15 10.953 11.819 14.212 1.00 5.23 O ATOM 223 CB LYS A 15 12.581 11.408 11.947 1.00 55.43 C ATOM 224 CG LYS A 15 13.933 11.591 11.280 1.00 20.05 C ATOM 225 CD LYS A 15 14.608 10.257 11.011 1.00 35.42 C ATOM 226 CE LYS A 15 14.823 9.472 12.297 1.00 41.44 C ATOM 227 NZ LYS A 15 16.211 8.943 12.397 1.00 32.32 N ATOM 0 H LYS A 15 12.984 13.798 13.532 1.00 55.22 H new ATOM 0 HA LYS A 15 11.336 13.010 11.230 1.00 41.03 H new ATOM 0 HB2 LYS A 15 12.724 10.918 12.910 1.00 55.43 H new ATOM 0 HB3 LYS A 15 11.972 10.741 11.337 1.00 55.43 H new ATOM 0 HG2 LYS A 15 13.807 12.131 10.342 1.00 20.05 H new ATOM 0 HG3 LYS A 15 14.574 12.202 11.916 1.00 20.05 H new ATOM 0 HD2 LYS A 15 13.998 9.671 10.324 1.00 35.42 H new ATOM 0 HD3 LYS A 15 15.567 10.425 10.521 1.00 35.42 H new ATOM 0 HE2 LYS A 15 14.616 10.114 13.153 1.00 41.44 H new ATOM 0 HE3 LYS A 15 14.115 8.645 12.340 1.00 41.44 H new ATOM 0 HZ1 LYS A 15 16.318 8.414 13.286 1.00 32.32 H new ATOM 0 HZ2 LYS A 15 16.400 8.310 11.593 1.00 32.32 H new ATOM 0 HZ3 LYS A 15 16.886 9.734 12.381 1.00 32.32 H new ATOM 241 N LEU A 16 9.597 13.162 13.022 1.00 53.04 N ATOM 242 CA LEU A 16 8.488 13.060 13.964 1.00 54.32 C ATOM 243 C LEU A 16 7.674 11.795 13.711 1.00 5.12 C ATOM 244 O LEU A 16 6.475 11.858 13.440 1.00 4.14 O ATOM 245 CB LEU A 16 7.585 14.291 13.854 1.00 31.13 C ATOM 246 CG LEU A 16 8.287 15.612 13.540 1.00 70.13 C ATOM 247 CD1 LEU A 16 7.295 16.765 13.575 1.00 62.15 C ATOM 248 CD2 LEU A 16 9.426 15.857 14.518 1.00 1.24 C ATOM 0 H LEU A 16 9.409 13.752 12.212 1.00 53.04 H new ATOM 0 HA LEU A 16 8.902 13.009 14.971 1.00 54.32 H new ATOM 0 HB2 LEU A 16 6.842 14.104 13.078 1.00 31.13 H new ATOM 0 HB3 LEU A 16 7.043 14.405 14.793 1.00 31.13 H new ATOM 0 HG LEU A 16 8.705 15.549 12.535 1.00 70.13 H new ATOM 0 HD11 LEU A 16 7.813 17.697 13.349 1.00 62.15 H new ATOM 0 HD12 LEU A 16 6.513 16.595 12.834 1.00 62.15 H new ATOM 0 HD13 LEU A 16 6.847 16.830 14.567 1.00 62.15 H new ATOM 0 HD21 LEU A 16 9.914 16.802 14.279 1.00 1.24 H new ATOM 0 HD22 LEU A 16 9.031 15.899 15.533 1.00 1.24 H new ATOM 0 HD23 LEU A 16 10.150 15.046 14.444 1.00 1.24 H new ATOM 260 N PHE A 17 8.335 10.645 13.806 1.00 71.32 N ATOM 261 CA PHE A 17 7.673 9.364 13.589 1.00 1.43 C ATOM 262 C PHE A 17 8.466 8.228 14.228 1.00 60.34 C ATOM 263 O PHE A 17 9.632 8.393 14.585 1.00 42.34 O ATOM 264 CB PHE A 17 7.499 9.102 12.092 1.00 64.15 C ATOM 265 CG PHE A 17 8.617 8.299 11.491 1.00 62.53 C ATOM 266 CD1 PHE A 17 9.814 8.905 11.142 1.00 72.31 C ATOM 267 CD2 PHE A 17 8.472 6.938 11.275 1.00 42.33 C ATOM 268 CE1 PHE A 17 10.842 8.168 10.587 1.00 45.25 C ATOM 269 CE2 PHE A 17 9.498 6.196 10.721 1.00 62.22 C ATOM 270 CZ PHE A 17 10.686 6.812 10.378 1.00 64.23 C ATOM 0 H PHE A 17 9.327 10.575 14.032 1.00 71.32 H new ATOM 0 HA PHE A 17 6.690 9.407 14.059 1.00 1.43 H new ATOM 0 HB2 PHE A 17 6.557 8.577 11.930 1.00 64.15 H new ATOM 0 HB3 PHE A 17 7.426 10.056 11.570 1.00 64.15 H new ATOM 0 HD1 PHE A 17 9.944 9.965 11.306 1.00 72.31 H new ATOM 0 HD2 PHE A 17 7.546 6.451 11.543 1.00 42.33 H new ATOM 0 HE1 PHE A 17 11.768 8.653 10.316 1.00 45.25 H new ATOM 0 HE2 PHE A 17 9.371 5.136 10.556 1.00 62.22 H new ATOM 0 HZ PHE A 17 11.491 6.234 9.947 1.00 64.23 H new ATOM 280 N LYS A 18 7.825 7.072 14.367 1.00 4.21 N ATOM 281 CA LYS A 18 8.468 5.906 14.962 1.00 44.51 C ATOM 282 C LYS A 18 8.355 4.695 14.043 1.00 70.11 C ATOM 283 O LYS A 18 7.640 4.728 13.041 1.00 2.41 O ATOM 284 CB LYS A 18 7.842 5.590 16.321 1.00 30.45 C ATOM 285 CG LYS A 18 8.527 6.285 17.485 1.00 63.41 C ATOM 286 CD LYS A 18 9.709 5.480 17.996 1.00 4.52 C ATOM 287 CE LYS A 18 9.362 4.728 19.272 1.00 3.03 C ATOM 288 NZ LYS A 18 8.558 3.506 18.993 1.00 21.31 N ATOM 0 H LYS A 18 6.860 6.918 14.075 1.00 4.21 H new ATOM 0 HA LYS A 18 9.524 6.136 15.102 1.00 44.51 H new ATOM 0 HB2 LYS A 18 6.791 5.880 16.303 1.00 30.45 H new ATOM 0 HB3 LYS A 18 7.873 4.513 16.484 1.00 30.45 H new ATOM 0 HG2 LYS A 18 8.866 7.273 17.172 1.00 63.41 H new ATOM 0 HG3 LYS A 18 7.811 6.435 18.293 1.00 63.41 H new ATOM 0 HD2 LYS A 18 10.027 4.772 17.230 1.00 4.52 H new ATOM 0 HD3 LYS A 18 10.551 6.147 18.183 1.00 4.52 H new ATOM 0 HE2 LYS A 18 10.279 4.449 19.790 1.00 3.03 H new ATOM 0 HE3 LYS A 18 8.805 5.384 19.941 1.00 3.03 H new ATOM 0 HZ1 LYS A 18 8.342 3.021 19.887 1.00 21.31 H new ATOM 0 HZ2 LYS A 18 7.671 3.774 18.521 1.00 21.31 H new ATOM 0 HZ3 LYS A 18 9.099 2.868 18.375 1.00 21.31 H new ATOM 302 N ALA A 19 9.064 3.626 14.390 1.00 21.32 N ATOM 303 CA ALA A 19 9.039 2.402 13.598 1.00 2.13 C ATOM 304 C ALA A 19 7.888 1.496 14.022 1.00 25.33 C ATOM 305 O ALA A 19 7.934 0.875 15.083 1.00 23.33 O ATOM 306 CB ALA A 19 10.365 1.667 13.721 1.00 64.31 C ATOM 0 H ALA A 19 9.663 3.583 15.214 1.00 21.32 H new ATOM 0 HA ALA A 19 8.884 2.677 12.555 1.00 2.13 H new ATOM 0 HB1 ALA A 19 10.332 0.755 13.125 1.00 64.31 H new ATOM 0 HB2 ALA A 19 11.171 2.307 13.361 1.00 64.31 H new ATOM 0 HB3 ALA A 19 10.544 1.411 14.765 1.00 64.31 H new ATOM 312 N GLY A 20 6.856 1.427 13.188 1.00 71.44 N ATOM 313 CA GLY A 20 5.707 0.595 13.495 1.00 64.12 C ATOM 314 C GLY A 20 4.618 1.357 14.222 1.00 75.44 C ATOM 315 O GLY A 20 3.783 0.761 14.904 1.00 43.23 O ATOM 0 H GLY A 20 6.795 1.933 12.304 1.00 71.44 H new ATOM 0 HA2 GLY A 20 5.303 0.183 12.570 1.00 64.12 H new ATOM 0 HA3 GLY A 20 6.026 -0.249 14.107 1.00 64.12 H new ATOM 319 N ASP A 21 4.624 2.678 14.076 1.00 25.54 N ATOM 320 CA ASP A 21 3.629 3.522 14.725 1.00 55.00 C ATOM 321 C ASP A 21 2.474 3.829 13.776 1.00 61.41 C ATOM 322 O ASP A 21 2.578 3.622 12.567 1.00 41.22 O ATOM 323 CB ASP A 21 4.269 4.826 15.205 1.00 63.23 C ATOM 324 CG ASP A 21 3.745 5.263 16.559 1.00 50.31 C ATOM 325 OD1 ASP A 21 3.591 4.397 17.445 1.00 33.00 O ATOM 326 OD2 ASP A 21 3.492 6.474 16.732 1.00 30.44 O ATOM 0 H ASP A 21 5.307 3.186 13.514 1.00 25.54 H new ATOM 0 HA ASP A 21 3.236 2.980 15.585 1.00 55.00 H new ATOM 0 HB2 ASP A 21 5.350 4.698 15.261 1.00 63.23 H new ATOM 0 HB3 ASP A 21 4.079 5.612 14.474 1.00 63.23 H new ATOM 331 N LYS A 22 1.372 4.320 14.332 1.00 33.44 N ATOM 332 CA LYS A 22 0.197 4.655 13.536 1.00 22.43 C ATOM 333 C LYS A 22 0.359 6.019 12.873 1.00 60.22 C ATOM 334 O LYS A 22 0.794 6.981 13.507 1.00 43.02 O ATOM 335 CB LYS A 22 -1.058 4.650 14.414 1.00 64.34 C ATOM 336 CG LYS A 22 -1.539 3.255 14.779 1.00 51.43 C ATOM 337 CD LYS A 22 -2.563 3.295 15.899 1.00 4.33 C ATOM 338 CE LYS A 22 -3.571 2.163 15.773 1.00 74.04 C ATOM 339 NZ LYS A 22 -4.910 2.551 16.299 1.00 42.53 N ATOM 0 H LYS A 22 1.268 4.495 15.331 1.00 33.44 H new ATOM 0 HA LYS A 22 0.091 3.901 12.756 1.00 22.43 H new ATOM 0 HB2 LYS A 22 -0.853 5.206 15.329 1.00 64.34 H new ATOM 0 HB3 LYS A 22 -1.858 5.177 13.893 1.00 64.34 H new ATOM 0 HG2 LYS A 22 -1.976 2.779 13.902 1.00 51.43 H new ATOM 0 HG3 LYS A 22 -0.689 2.644 15.083 1.00 51.43 H new ATOM 0 HD2 LYS A 22 -2.055 3.226 16.861 1.00 4.33 H new ATOM 0 HD3 LYS A 22 -3.085 4.252 15.882 1.00 4.33 H new ATOM 0 HE2 LYS A 22 -3.662 1.873 14.726 1.00 74.04 H new ATOM 0 HE3 LYS A 22 -3.207 1.290 16.315 1.00 74.04 H new ATOM 0 HZ1 LYS A 22 -5.568 1.753 16.195 1.00 42.53 H new ATOM 0 HZ2 LYS A 22 -4.828 2.804 17.305 1.00 42.53 H new ATOM 0 HZ3 LYS A 22 -5.269 3.368 15.765 1.00 42.53 H new ATOM 353 N VAL A 23 0.006 6.096 11.594 1.00 62.14 N ATOM 354 CA VAL A 23 0.111 7.342 10.845 1.00 33.22 C ATOM 355 C VAL A 23 -1.267 7.929 10.559 1.00 31.42 C ATOM 356 O VAL A 23 -2.257 7.203 10.468 1.00 31.10 O ATOM 357 CB VAL A 23 0.855 7.136 9.512 1.00 24.41 C ATOM 358 CG1 VAL A 23 0.809 8.403 8.673 1.00 2.54 C ATOM 359 CG2 VAL A 23 2.292 6.706 9.766 1.00 73.13 C ATOM 0 H VAL A 23 -0.355 5.309 11.055 1.00 62.14 H new ATOM 0 HA VAL A 23 0.678 8.036 11.465 1.00 33.22 H new ATOM 0 HB VAL A 23 0.355 6.343 8.955 1.00 24.41 H new ATOM 0 HG11 VAL A 23 1.340 8.238 7.735 1.00 2.54 H new ATOM 0 HG12 VAL A 23 -0.228 8.662 8.462 1.00 2.54 H new ATOM 0 HG13 VAL A 23 1.283 9.219 9.219 1.00 2.54 H new ATOM 0 HG21 VAL A 23 2.803 6.565 8.814 1.00 73.13 H new ATOM 0 HG22 VAL A 23 2.805 7.475 10.343 1.00 73.13 H new ATOM 0 HG23 VAL A 23 2.298 5.769 10.324 1.00 73.13 H new ATOM 369 N LYS A 24 -1.324 9.249 10.418 1.00 23.34 N ATOM 370 CA LYS A 24 -2.580 9.935 10.141 1.00 13.34 C ATOM 371 C LYS A 24 -2.551 10.589 8.763 1.00 3.12 C ATOM 372 O LYS A 24 -1.529 10.567 8.076 1.00 64.02 O ATOM 373 CB LYS A 24 -2.854 10.993 11.213 1.00 54.31 C ATOM 374 CG LYS A 24 -3.572 10.448 12.436 1.00 12.41 C ATOM 375 CD LYS A 24 -4.952 11.063 12.592 1.00 75.04 C ATOM 376 CE LYS A 24 -5.896 10.601 11.492 1.00 0.30 C ATOM 377 NZ LYS A 24 -7.025 11.552 11.294 1.00 63.15 N ATOM 0 H LYS A 24 -0.514 9.865 10.491 1.00 23.34 H new ATOM 0 HA LYS A 24 -3.380 9.195 10.156 1.00 13.34 H new ATOM 0 HB2 LYS A 24 -1.908 11.436 11.525 1.00 54.31 H new ATOM 0 HB3 LYS A 24 -3.452 11.793 10.777 1.00 54.31 H new ATOM 0 HG2 LYS A 24 -3.663 9.365 12.353 1.00 12.41 H new ATOM 0 HG3 LYS A 24 -2.979 10.651 13.328 1.00 12.41 H new ATOM 0 HD2 LYS A 24 -5.364 10.792 13.564 1.00 75.04 H new ATOM 0 HD3 LYS A 24 -4.872 12.150 12.571 1.00 75.04 H new ATOM 0 HE2 LYS A 24 -5.342 10.495 10.559 1.00 0.30 H new ATOM 0 HE3 LYS A 24 -6.290 9.616 11.742 1.00 0.30 H new ATOM 0 HZ1 LYS A 24 -7.645 11.202 10.536 1.00 63.15 H new ATOM 0 HZ2 LYS A 24 -7.569 11.634 12.177 1.00 63.15 H new ATOM 0 HZ3 LYS A 24 -6.650 12.486 11.030 1.00 63.15 H new ATOM 391 N LYS A 25 -3.676 11.171 8.365 1.00 31.43 N ATOM 392 CA LYS A 25 -3.780 11.833 7.070 1.00 3.40 C ATOM 393 C LYS A 25 -3.174 13.233 7.125 1.00 25.35 C ATOM 394 O LYS A 25 -3.876 14.214 7.368 1.00 4.43 O ATOM 395 CB LYS A 25 -5.243 11.917 6.632 1.00 62.22 C ATOM 396 CG LYS A 25 -5.674 10.772 5.731 1.00 10.33 C ATOM 397 CD LYS A 25 -7.168 10.812 5.456 1.00 53.15 C ATOM 398 CE LYS A 25 -7.624 9.589 4.675 1.00 43.14 C ATOM 399 NZ LYS A 25 -8.657 8.812 5.414 1.00 42.20 N ATOM 0 H LYS A 25 -4.530 11.198 8.921 1.00 31.43 H new ATOM 0 HA LYS A 25 -3.223 11.242 6.343 1.00 3.40 H new ATOM 0 HB2 LYS A 25 -5.879 11.931 7.517 1.00 62.22 H new ATOM 0 HB3 LYS A 25 -5.404 12.860 6.109 1.00 62.22 H new ATOM 0 HG2 LYS A 25 -5.128 10.824 4.789 1.00 10.33 H new ATOM 0 HG3 LYS A 25 -5.414 9.822 6.198 1.00 10.33 H new ATOM 0 HD2 LYS A 25 -7.711 10.866 6.399 1.00 53.15 H new ATOM 0 HD3 LYS A 25 -7.412 11.715 4.896 1.00 53.15 H new ATOM 0 HE2 LYS A 25 -8.026 9.903 3.711 1.00 43.14 H new ATOM 0 HE3 LYS A 25 -6.766 8.949 4.469 1.00 43.14 H new ATOM 0 HZ1 LYS A 25 -9.213 8.247 4.741 1.00 42.20 H new ATOM 0 HZ2 LYS A 25 -8.193 8.180 6.097 1.00 42.20 H new ATOM 0 HZ3 LYS A 25 -9.287 9.466 5.920 1.00 42.20 H new ATOM 413 N GLY A 26 -1.867 13.316 6.896 1.00 11.41 N ATOM 414 CA GLY A 26 -1.190 14.600 6.923 1.00 73.43 C ATOM 415 C GLY A 26 -0.333 14.777 8.161 1.00 52.53 C ATOM 416 O GLY A 26 0.079 15.891 8.482 1.00 51.34 O ATOM 0 H GLY A 26 -1.265 12.518 6.692 1.00 11.41 H new ATOM 0 HA2 GLY A 26 -0.565 14.697 6.035 1.00 73.43 H new ATOM 0 HA3 GLY A 26 -1.930 15.399 6.880 1.00 73.43 H new ATOM 420 N GLN A 27 -0.065 13.677 8.856 1.00 0.52 N ATOM 421 CA GLN A 27 0.747 13.718 10.066 1.00 4.35 C ATOM 422 C GLN A 27 2.230 13.817 9.724 1.00 41.12 C ATOM 423 O GLN A 27 2.738 13.063 8.894 1.00 51.23 O ATOM 424 CB GLN A 27 0.490 12.474 10.919 1.00 5.33 C ATOM 425 CG GLN A 27 0.261 12.783 12.391 1.00 52.14 C ATOM 426 CD GLN A 27 1.063 11.882 13.308 1.00 62.42 C ATOM 427 OE1 GLN A 27 1.746 12.352 14.218 1.00 22.33 O ATOM 428 NE2 GLN A 27 0.984 10.577 13.073 1.00 42.13 N ATOM 0 H GLN A 27 -0.398 12.747 8.602 1.00 0.52 H new ATOM 0 HA GLN A 27 0.464 14.605 10.633 1.00 4.35 H new ATOM 0 HB2 GLN A 27 -0.380 11.948 10.527 1.00 5.33 H new ATOM 0 HB3 GLN A 27 1.340 11.798 10.826 1.00 5.33 H new ATOM 0 HG2 GLN A 27 0.527 13.822 12.586 1.00 52.14 H new ATOM 0 HG3 GLN A 27 -0.799 12.677 12.620 1.00 52.14 H new ATOM 0 HE21 GLN A 27 0.405 10.231 12.308 1.00 42.13 H new ATOM 0 HE22 GLN A 27 1.502 9.921 13.658 1.00 42.13 H new ATOM 437 N THR A 28 2.921 14.752 10.369 1.00 34.23 N ATOM 438 CA THR A 28 4.345 14.951 10.132 1.00 73.43 C ATOM 439 C THR A 28 5.149 13.728 10.555 1.00 30.53 C ATOM 440 O THR A 28 4.871 13.116 11.588 1.00 32.12 O ATOM 441 CB THR A 28 4.872 16.185 10.888 1.00 52.42 C ATOM 442 OG1 THR A 28 3.884 17.221 10.886 1.00 10.32 O ATOM 443 CG2 THR A 28 6.155 16.701 10.252 1.00 42.11 C ATOM 0 H THR A 28 2.517 15.384 11.060 1.00 34.23 H new ATOM 0 HA THR A 28 4.468 15.110 9.061 1.00 73.43 H new ATOM 0 HB THR A 28 5.086 15.890 11.915 1.00 52.42 H new ATOM 0 HG1 THR A 28 4.227 18.001 11.370 1.00 10.32 H new ATOM 0 HG21 THR A 28 6.509 17.573 10.802 1.00 42.11 H new ATOM 0 HG22 THR A 28 6.915 15.920 10.281 1.00 42.11 H new ATOM 0 HG23 THR A 28 5.961 16.980 9.216 1.00 42.11 H new ATOM 451 N LEU A 29 6.147 13.375 9.754 1.00 40.04 N ATOM 452 CA LEU A 29 6.993 12.223 10.045 1.00 1.32 C ATOM 453 C LEU A 29 8.462 12.549 9.794 1.00 32.23 C ATOM 454 O LEU A 29 9.340 12.126 10.546 1.00 2.41 O ATOM 455 CB LEU A 29 6.571 11.026 9.193 1.00 44.12 C ATOM 456 CG LEU A 29 5.070 10.741 9.130 1.00 1.01 C ATOM 457 CD1 LEU A 29 4.695 10.145 7.783 1.00 64.32 C ATOM 458 CD2 LEU A 29 4.656 9.812 10.261 1.00 23.35 C ATOM 0 H LEU A 29 6.391 13.871 8.896 1.00 40.04 H new ATOM 0 HA LEU A 29 6.871 11.971 11.098 1.00 1.32 H new ATOM 0 HB2 LEU A 29 6.933 11.183 8.177 1.00 44.12 H new ATOM 0 HB3 LEU A 29 7.073 10.138 9.577 1.00 44.12 H new ATOM 0 HG LEU A 29 4.536 11.684 9.247 1.00 1.01 H new ATOM 0 HD11 LEU A 29 3.623 9.949 7.758 1.00 64.32 H new ATOM 0 HD12 LEU A 29 4.955 10.846 6.990 1.00 64.32 H new ATOM 0 HD13 LEU A 29 5.238 9.212 7.634 1.00 64.32 H new ATOM 0 HD21 LEU A 29 3.585 9.620 10.201 1.00 23.35 H new ATOM 0 HD22 LEU A 29 5.199 8.871 10.176 1.00 23.35 H new ATOM 0 HD23 LEU A 29 4.888 10.279 11.218 1.00 23.35 H new ATOM 470 N PHE A 30 8.721 13.305 8.733 1.00 2.10 N ATOM 471 CA PHE A 30 10.085 13.689 8.382 1.00 33.02 C ATOM 472 C PHE A 30 10.186 15.196 8.168 1.00 71.23 C ATOM 473 O PHE A 30 9.174 15.889 8.064 1.00 14.10 O ATOM 474 CB PHE A 30 10.537 12.951 7.121 1.00 20.52 C ATOM 475 CG PHE A 30 11.267 11.669 7.406 1.00 14.42 C ATOM 476 CD1 PHE A 30 12.615 11.682 7.726 1.00 30.14 C ATOM 477 CD2 PHE A 30 10.606 10.453 7.353 1.00 12.13 C ATOM 478 CE1 PHE A 30 13.290 10.504 7.989 1.00 14.55 C ATOM 479 CE2 PHE A 30 11.275 9.273 7.615 1.00 25.05 C ATOM 480 CZ PHE A 30 12.620 9.299 7.933 1.00 72.44 C ATOM 0 H PHE A 30 8.006 13.664 8.101 1.00 2.10 H new ATOM 0 HA PHE A 30 10.739 13.412 9.209 1.00 33.02 H new ATOM 0 HB2 PHE A 30 9.665 12.734 6.504 1.00 20.52 H new ATOM 0 HB3 PHE A 30 11.184 13.607 6.538 1.00 20.52 H new ATOM 0 HD1 PHE A 30 13.144 12.622 7.771 1.00 30.14 H new ATOM 0 HD2 PHE A 30 9.555 10.427 7.104 1.00 12.13 H new ATOM 0 HE1 PHE A 30 14.341 10.527 8.238 1.00 14.55 H new ATOM 0 HE2 PHE A 30 10.748 8.331 7.571 1.00 25.05 H new ATOM 0 HZ PHE A 30 13.145 8.378 8.137 1.00 72.44 H new ATOM 490 N ILE A 31 11.416 15.696 8.102 1.00 74.20 N ATOM 491 CA ILE A 31 11.650 17.120 7.899 1.00 53.21 C ATOM 492 C ILE A 31 12.970 17.362 7.174 1.00 11.30 C ATOM 493 O ILE A 31 13.971 16.699 7.448 1.00 33.53 O ATOM 494 CB ILE A 31 11.663 17.885 9.235 1.00 53.41 C ATOM 495 CG1 ILE A 31 10.377 17.612 10.016 1.00 21.32 C ATOM 496 CG2 ILE A 31 11.833 19.377 8.991 1.00 64.25 C ATOM 497 CD1 ILE A 31 10.281 18.386 11.312 1.00 10.12 C ATOM 0 H ILE A 31 12.265 15.136 8.186 1.00 74.20 H new ATOM 0 HA ILE A 31 10.828 17.491 7.286 1.00 53.21 H new ATOM 0 HB ILE A 31 12.508 17.535 9.828 1.00 53.41 H new ATOM 0 HG12 ILE A 31 9.521 17.861 9.389 1.00 21.32 H new ATOM 0 HG13 ILE A 31 10.313 16.546 10.233 1.00 21.32 H new ATOM 0 HG21 ILE A 31 11.840 19.903 9.946 1.00 64.25 H new ATOM 0 HG22 ILE A 31 12.774 19.556 8.471 1.00 64.25 H new ATOM 0 HG23 ILE A 31 11.007 19.742 8.381 1.00 64.25 H new ATOM 0 HD11 ILE A 31 9.344 18.143 11.812 1.00 10.12 H new ATOM 0 HD12 ILE A 31 11.117 18.119 11.958 1.00 10.12 H new ATOM 0 HD13 ILE A 31 10.313 19.455 11.101 1.00 10.12 H new ATOM 509 N ILE A 32 12.966 18.318 6.251 1.00 40.02 N ATOM 510 CA ILE A 32 14.164 18.649 5.489 1.00 4.44 C ATOM 511 C ILE A 32 14.275 20.154 5.265 1.00 32.53 C ATOM 512 O ILE A 32 13.300 20.808 4.896 1.00 61.01 O ATOM 513 CB ILE A 32 14.179 17.935 4.125 1.00 40.53 C ATOM 514 CG1 ILE A 32 14.545 16.460 4.301 1.00 4.31 C ATOM 515 CG2 ILE A 32 15.156 18.620 3.181 1.00 15.10 C ATOM 516 CD1 ILE A 32 13.925 15.555 3.260 1.00 55.11 C ATOM 0 H ILE A 32 12.147 18.877 6.013 1.00 40.02 H new ATOM 0 HA ILE A 32 15.016 18.308 6.077 1.00 4.44 H new ATOM 0 HB ILE A 32 13.181 17.992 3.690 1.00 40.53 H new ATOM 0 HG12 ILE A 32 15.629 16.356 4.262 1.00 4.31 H new ATOM 0 HG13 ILE A 32 14.229 16.131 5.291 1.00 4.31 H new ATOM 0 HG21 ILE A 32 15.156 18.104 2.221 1.00 15.10 H new ATOM 0 HG22 ILE A 32 14.855 19.658 3.036 1.00 15.10 H new ATOM 0 HG23 ILE A 32 16.158 18.589 3.609 1.00 15.10 H new ATOM 0 HD11 ILE A 32 14.228 14.525 3.447 1.00 55.11 H new ATOM 0 HD12 ILE A 32 12.839 15.630 3.314 1.00 55.11 H new ATOM 0 HD13 ILE A 32 14.261 15.858 2.268 1.00 55.11 H new ATOM 528 N GLU A 33 15.468 20.694 5.490 1.00 22.42 N ATOM 529 CA GLU A 33 15.705 22.122 5.311 1.00 33.03 C ATOM 530 C GLU A 33 16.439 22.392 4.000 1.00 65.41 C ATOM 531 O GLU A 33 17.477 21.790 3.724 1.00 15.31 O ATOM 532 CB GLU A 33 16.513 22.678 6.485 1.00 22.21 C ATOM 533 CG GLU A 33 17.251 23.967 6.159 1.00 24.44 C ATOM 534 CD GLU A 33 18.713 23.734 5.834 1.00 51.02 C ATOM 535 OE1 GLU A 33 19.091 22.567 5.601 1.00 35.04 O ATOM 536 OE2 GLU A 33 19.481 24.720 5.811 1.00 30.33 O ATOM 0 H GLU A 33 16.285 20.165 5.796 1.00 22.42 H new ATOM 0 HA GLU A 33 14.738 22.623 5.275 1.00 33.03 H new ATOM 0 HB2 GLU A 33 15.842 22.856 7.325 1.00 22.21 H new ATOM 0 HB3 GLU A 33 17.235 21.927 6.807 1.00 22.21 H new ATOM 0 HG2 GLU A 33 16.767 24.454 5.312 1.00 24.44 H new ATOM 0 HG3 GLU A 33 17.175 24.649 7.006 1.00 24.44 H new ATOM 543 N GLN A 34 15.891 23.298 3.198 1.00 50.05 N ATOM 544 CA GLN A 34 16.493 23.645 1.916 1.00 54.43 C ATOM 545 C GLN A 34 17.809 24.391 2.117 1.00 32.34 C ATOM 546 O GLN A 34 17.978 25.118 3.096 1.00 55.41 O ATOM 547 CB GLN A 34 15.530 24.502 1.092 1.00 20.31 C ATOM 548 CG GLN A 34 14.531 23.687 0.285 1.00 42.03 C ATOM 549 CD GLN A 34 13.241 23.432 1.039 1.00 11.32 C ATOM 550 OE1 GLN A 34 13.314 22.602 2.073 1.00 1.10 O flip ATOM 551 NE2 GLN A 34 12.190 23.975 0.697 1.00 1.24 N flip ATOM 0 H GLN A 34 15.032 23.805 3.412 1.00 50.05 H new ATOM 0 HA GLN A 34 16.698 22.720 1.377 1.00 54.43 H new ATOM 0 HB2 GLN A 34 14.986 25.169 1.761 1.00 20.31 H new ATOM 0 HB3 GLN A 34 16.106 25.131 0.413 1.00 20.31 H new ATOM 0 HG2 GLN A 34 14.307 24.211 -0.644 1.00 42.03 H new ATOM 0 HG3 GLN A 34 14.982 22.733 0.012 1.00 42.03 H new ATOM 0 HE21 GLN A 34 12.179 24.606 -0.104 1.00 1.24 H new ATOM 0 HE22 GLN A 34 11.330 23.794 1.215 1.00 1.24 H new ATOM 560 N ASP A 35 18.736 24.205 1.184 1.00 5.35 N ATOM 561 CA ASP A 35 20.037 24.860 1.259 1.00 42.23 C ATOM 562 C ASP A 35 20.930 24.428 0.100 1.00 52.32 C ATOM 563 O ASP A 35 22.149 24.341 0.243 1.00 44.02 O ATOM 564 CB ASP A 35 20.718 24.541 2.591 1.00 72.51 C ATOM 565 CG ASP A 35 21.256 25.780 3.278 1.00 43.33 C ATOM 566 OD1 ASP A 35 20.439 26.620 3.708 1.00 44.43 O ATOM 567 OD2 ASP A 35 22.494 25.909 3.385 1.00 23.03 O ATOM 0 H ASP A 35 18.611 23.607 0.367 1.00 5.35 H new ATOM 0 HA ASP A 35 19.878 25.936 1.191 1.00 42.23 H new ATOM 0 HB2 ASP A 35 20.006 24.044 3.250 1.00 72.51 H new ATOM 0 HB3 ASP A 35 21.535 23.841 2.419 1.00 72.51 H new ATOM 572 N GLN A 36 20.314 24.157 -1.046 1.00 51.33 N ATOM 573 CA GLN A 36 21.054 23.733 -2.229 1.00 23.21 C ATOM 574 C GLN A 36 21.948 24.855 -2.744 1.00 53.20 C ATOM 575 O GLN A 36 22.910 24.611 -3.472 1.00 35.41 O ATOM 576 CB GLN A 36 20.087 23.289 -3.328 1.00 65.54 C ATOM 577 CG GLN A 36 18.956 22.408 -2.825 1.00 23.43 C ATOM 578 CD GLN A 36 17.601 22.844 -3.345 1.00 51.15 C ATOM 579 OE1 GLN A 36 17.359 24.031 -3.562 1.00 13.42 O ATOM 580 NE2 GLN A 36 16.708 21.883 -3.550 1.00 74.40 N ATOM 0 H GLN A 36 19.305 24.223 -1.181 1.00 51.33 H new ATOM 0 HA GLN A 36 21.686 22.891 -1.949 1.00 23.21 H new ATOM 0 HB2 GLN A 36 19.663 24.172 -3.806 1.00 65.54 H new ATOM 0 HB3 GLN A 36 20.644 22.749 -4.094 1.00 65.54 H new ATOM 0 HG2 GLN A 36 19.142 21.377 -3.126 1.00 23.43 H new ATOM 0 HG3 GLN A 36 18.945 22.424 -1.735 1.00 23.43 H new ATOM 0 HE21 GLN A 36 16.951 20.911 -3.357 1.00 74.40 H new ATOM 0 HE22 GLN A 36 15.779 22.116 -3.901 1.00 74.40 H new ATOM 589 N ALA A 37 21.624 26.086 -2.362 1.00 25.23 N ATOM 590 CA ALA A 37 22.400 27.246 -2.783 1.00 31.12 C ATOM 591 C ALA A 37 23.890 27.027 -2.545 1.00 53.01 C ATOM 592 O ALA A 37 24.669 26.916 -3.491 1.00 44.14 O ATOM 593 CB ALA A 37 21.924 28.493 -2.053 1.00 34.34 C ATOM 0 H ALA A 37 20.829 26.306 -1.762 1.00 25.23 H new ATOM 0 HA ALA A 37 22.247 27.385 -3.853 1.00 31.12 H new ATOM 0 HB1 ALA A 37 22.512 29.351 -2.377 1.00 34.34 H new ATOM 0 HB2 ALA A 37 20.872 28.668 -2.279 1.00 34.34 H new ATOM 0 HB3 ALA A 37 22.046 28.355 -0.979 1.00 34.34 H new ATOM 599 N SER A 38 24.278 26.967 -1.275 1.00 64.31 N ATOM 600 CA SER A 38 25.677 26.765 -0.913 1.00 13.13 C ATOM 601 C SER A 38 25.847 26.739 0.603 1.00 32.53 C ATOM 602 O SER A 38 25.125 27.421 1.333 1.00 62.12 O ATOM 603 CB SER A 38 26.546 27.871 -1.516 1.00 74.51 C ATOM 604 OG SER A 38 27.296 27.387 -2.617 1.00 34.31 O ATOM 0 H SER A 38 23.645 27.055 -0.480 1.00 64.31 H new ATOM 0 HA SER A 38 25.996 25.803 -1.314 1.00 13.13 H new ATOM 0 HB2 SER A 38 25.915 28.699 -1.838 1.00 74.51 H new ATOM 0 HB3 SER A 38 27.222 28.262 -0.755 1.00 74.51 H new ATOM 0 HG SER A 38 26.686 27.053 -3.307 1.00 34.31 H new ATOM 610 N LYS A 39 26.805 25.947 1.071 1.00 52.24 N ATOM 611 CA LYS A 39 27.073 25.831 2.499 1.00 22.30 C ATOM 612 C LYS A 39 27.712 27.106 3.039 1.00 75.14 C ATOM 613 O LYS A 39 27.216 27.704 3.994 1.00 54.22 O ATOM 614 CB LYS A 39 27.988 24.634 2.772 1.00 42.41 C ATOM 615 CG LYS A 39 27.525 23.351 2.105 1.00 5.31 C ATOM 616 CD LYS A 39 26.033 23.132 2.291 1.00 53.10 C ATOM 617 CE LYS A 39 25.711 21.666 2.538 1.00 13.50 C ATOM 618 NZ LYS A 39 26.183 21.213 3.876 1.00 71.01 N ATOM 0 H LYS A 39 27.410 25.375 0.481 1.00 52.24 H new ATOM 0 HA LYS A 39 26.122 25.678 3.010 1.00 22.30 H new ATOM 0 HB2 LYS A 39 28.995 24.870 2.427 1.00 42.41 H new ATOM 0 HB3 LYS A 39 28.050 24.472 3.848 1.00 42.41 H new ATOM 0 HG2 LYS A 39 27.758 23.389 1.041 1.00 5.31 H new ATOM 0 HG3 LYS A 39 28.072 22.505 2.522 1.00 5.31 H new ATOM 0 HD2 LYS A 39 25.678 23.730 3.131 1.00 53.10 H new ATOM 0 HD3 LYS A 39 25.500 23.478 1.405 1.00 53.10 H new ATOM 0 HE2 LYS A 39 24.635 21.513 2.461 1.00 13.50 H new ATOM 0 HE3 LYS A 39 26.176 21.056 1.763 1.00 13.50 H new ATOM 0 HZ1 LYS A 39 25.683 20.341 4.144 1.00 71.01 H new ATOM 0 HZ2 LYS A 39 27.206 21.028 3.839 1.00 71.01 H new ATOM 0 HZ3 LYS A 39 25.990 21.953 4.581 1.00 71.01 H new ATOM 632 N ASP A 40 28.813 27.518 2.420 1.00 22.03 N ATOM 633 CA ASP A 40 29.518 28.725 2.837 1.00 45.21 C ATOM 634 C ASP A 40 28.604 29.944 2.758 1.00 60.50 C ATOM 635 O ASP A 40 28.806 30.931 3.465 1.00 75.02 O ATOM 636 CB ASP A 40 30.757 28.943 1.967 1.00 11.12 C ATOM 637 CG ASP A 40 31.921 29.518 2.751 1.00 53.23 C ATOM 638 OD1 ASP A 40 32.079 29.152 3.934 1.00 74.12 O ATOM 639 OD2 ASP A 40 32.674 30.335 2.180 1.00 62.22 O ATOM 0 H ASP A 40 29.237 27.034 1.628 1.00 22.03 H new ATOM 0 HA ASP A 40 29.829 28.595 3.873 1.00 45.21 H new ATOM 0 HB2 ASP A 40 31.056 27.994 1.521 1.00 11.12 H new ATOM 0 HB3 ASP A 40 30.508 29.616 1.147 1.00 11.12 H new ATOM 644 N PHE A 41 27.599 29.867 1.891 1.00 1.21 N ATOM 645 CA PHE A 41 26.655 30.964 1.717 1.00 13.33 C ATOM 646 C PHE A 41 26.072 31.399 3.059 1.00 4.22 C ATOM 647 O PHE A 41 26.473 32.418 3.621 1.00 22.03 O ATOM 648 CB PHE A 41 25.527 30.551 0.770 1.00 60.42 C ATOM 649 CG PHE A 41 24.519 31.637 0.527 1.00 62.43 C ATOM 650 CD1 PHE A 41 24.923 32.893 0.104 1.00 70.24 C ATOM 651 CD2 PHE A 41 23.167 31.401 0.721 1.00 3.31 C ATOM 652 CE1 PHE A 41 23.998 33.895 -0.121 1.00 74.43 C ATOM 653 CE2 PHE A 41 22.238 32.399 0.497 1.00 72.33 C ATOM 654 CZ PHE A 41 22.652 33.648 0.077 1.00 65.24 C ATOM 0 H PHE A 41 27.418 29.057 1.299 1.00 1.21 H new ATOM 0 HA PHE A 41 27.194 31.807 1.284 1.00 13.33 H new ATOM 0 HB2 PHE A 41 25.958 30.246 -0.184 1.00 60.42 H new ATOM 0 HB3 PHE A 41 25.018 29.680 1.183 1.00 60.42 H new ATOM 0 HD1 PHE A 41 25.973 33.091 -0.052 1.00 70.24 H new ATOM 0 HD2 PHE A 41 22.836 30.427 1.051 1.00 3.31 H new ATOM 0 HE1 PHE A 41 24.326 34.870 -0.451 1.00 74.43 H new ATOM 0 HE2 PHE A 41 21.187 32.202 0.650 1.00 72.33 H new ATOM 0 HZ PHE A 41 21.927 34.429 -0.096 1.00 65.24 H new ATOM 664 N ASN A 42 25.124 30.619 3.567 1.00 42.04 N ATOM 665 CA ASN A 42 24.485 30.923 4.842 1.00 23.00 C ATOM 666 C ASN A 42 23.664 32.205 4.747 1.00 4.10 C ATOM 667 O ASN A 42 22.451 32.164 4.546 1.00 20.34 O ATOM 668 CB ASN A 42 25.538 31.058 5.944 1.00 61.43 C ATOM 669 CG ASN A 42 24.920 31.137 7.327 1.00 63.12 C ATOM 670 OD1 ASN A 42 25.413 31.852 8.199 1.00 70.53 O ATOM 671 ND2 ASN A 42 23.835 30.399 7.533 1.00 1.30 N ATOM 0 H ASN A 42 24.781 29.771 3.115 1.00 42.04 H new ATOM 0 HA ASN A 42 23.814 30.101 5.089 1.00 23.00 H new ATOM 0 HB2 ASN A 42 26.217 30.206 5.900 1.00 61.43 H new ATOM 0 HB3 ASN A 42 26.136 31.952 5.764 1.00 61.43 H new ATOM 0 HD22 ASN A 42 23.461 29.821 6.780 1.00 1.30 H new ATOM 677 N ARG A 43 24.336 33.342 4.892 1.00 13.42 N ATOM 678 CA ARG A 43 23.670 34.638 4.825 1.00 73.43 C ATOM 679 C ARG A 43 22.449 34.670 5.740 1.00 64.34 C ATOM 680 O ARG A 43 21.466 35.355 5.456 1.00 64.53 O ATOM 681 CB ARG A 43 23.249 34.943 3.386 1.00 42.13 C ATOM 682 CG ARG A 43 23.669 36.324 2.908 1.00 15.04 C ATOM 683 CD ARG A 43 22.533 37.327 3.039 1.00 41.14 C ATOM 684 NE ARG A 43 22.784 38.303 4.096 1.00 63.11 N ATOM 685 CZ ARG A 43 23.618 39.329 3.965 1.00 23.13 C ATOM 686 NH1 ARG A 43 24.277 39.512 2.830 1.00 2.22 N ATOM 687 NH2 ARG A 43 23.794 40.175 4.973 1.00 34.24 N ATOM 0 H ARG A 43 25.341 33.393 5.057 1.00 13.42 H new ATOM 0 HA ARG A 43 24.374 35.399 5.161 1.00 73.43 H new ATOM 0 HB2 ARG A 43 23.680 34.192 2.724 1.00 42.13 H new ATOM 0 HB3 ARG A 43 22.165 34.854 3.307 1.00 42.13 H new ATOM 0 HG2 ARG A 43 24.527 36.666 3.488 1.00 15.04 H new ATOM 0 HG3 ARG A 43 23.989 36.269 1.868 1.00 15.04 H new ATOM 0 HD2 ARG A 43 22.397 37.847 2.091 1.00 41.14 H new ATOM 0 HD3 ARG A 43 21.604 36.797 3.248 1.00 41.14 H new ATOM 0 HE ARG A 43 22.293 38.191 4.983 1.00 63.11 H new ATOM 0 HH11 ARG A 43 24.145 38.864 2.053 1.00 2.22 H new ATOM 0 HH12 ARG A 43 24.916 40.301 2.733 1.00 2.22 H new ATOM 0 HH21 ARG A 43 23.289 40.037 5.848 1.00 34.24 H new ATOM 0 HH22 ARG A 43 24.434 40.962 4.872 1.00 34.24 H new ATOM 701 N SER A 44 22.521 33.925 6.839 1.00 52.13 N ATOM 702 CA SER A 44 21.420 33.865 7.794 1.00 62.10 C ATOM 703 C SER A 44 21.677 34.793 8.977 1.00 24.33 C ATOM 704 O SER A 44 22.759 35.367 9.108 1.00 11.05 O ATOM 705 CB SER A 44 21.225 32.431 8.289 1.00 32.20 C ATOM 706 OG SER A 44 19.881 32.013 8.122 1.00 62.10 O ATOM 0 H SER A 44 23.329 33.355 7.090 1.00 52.13 H new ATOM 0 HA SER A 44 20.513 34.193 7.287 1.00 62.10 H new ATOM 0 HB2 SER A 44 21.888 31.761 7.742 1.00 32.20 H new ATOM 0 HB3 SER A 44 21.502 32.365 9.341 1.00 32.20 H new ATOM 0 HG SER A 44 19.407 32.086 8.977 1.00 62.10 H new ATOM 712 N LYS A 45 20.674 34.936 9.838 1.00 63.04 N ATOM 713 CA LYS A 45 20.790 35.792 11.012 1.00 62.35 C ATOM 714 C LYS A 45 21.096 34.968 12.259 1.00 43.04 C ATOM 715 O LYS A 45 22.195 35.039 12.807 1.00 44.55 O ATOM 716 CB LYS A 45 19.498 36.587 11.218 1.00 63.03 C ATOM 717 CG LYS A 45 19.041 37.336 9.978 1.00 24.10 C ATOM 718 CD LYS A 45 18.388 36.404 8.972 1.00 33.30 C ATOM 719 CE LYS A 45 17.432 35.434 9.649 1.00 22.41 C ATOM 720 NZ LYS A 45 16.483 36.135 10.559 1.00 61.05 N ATOM 0 H LYS A 45 19.772 34.470 9.744 1.00 63.04 H new ATOM 0 HA LYS A 45 21.614 36.485 10.845 1.00 62.35 H new ATOM 0 HB2 LYS A 45 18.708 35.905 11.532 1.00 63.03 H new ATOM 0 HB3 LYS A 45 19.645 37.300 12.029 1.00 63.03 H new ATOM 0 HG2 LYS A 45 18.336 38.117 10.263 1.00 24.10 H new ATOM 0 HG3 LYS A 45 19.895 37.831 9.516 1.00 24.10 H new ATOM 0 HD2 LYS A 45 17.847 36.990 8.229 1.00 33.30 H new ATOM 0 HD3 LYS A 45 19.158 35.846 8.439 1.00 33.30 H new ATOM 0 HE2 LYS A 45 16.871 34.888 8.891 1.00 22.41 H new ATOM 0 HE3 LYS A 45 18.002 34.698 10.216 1.00 22.41 H new ATOM 0 HZ1 LYS A 45 16.672 35.852 11.542 1.00 61.05 H new ATOM 0 HZ2 LYS A 45 16.607 37.163 10.465 1.00 61.05 H new ATOM 0 HZ3 LYS A 45 15.507 35.879 10.307 1.00 61.05 H new ATOM 734 N ALA A 46 20.117 34.185 12.700 1.00 1.40 N ATOM 735 CA ALA A 46 20.284 33.345 13.880 1.00 35.42 C ATOM 736 C ALA A 46 19.011 32.558 14.177 1.00 24.11 C ATOM 737 O ALA A 46 18.045 32.609 13.415 1.00 13.23 O ATOM 738 CB ALA A 46 20.674 34.193 15.081 1.00 44.11 C ATOM 0 H ALA A 46 19.200 34.115 12.258 1.00 1.40 H new ATOM 0 HA ALA A 46 21.083 32.632 13.678 1.00 35.42 H new ATOM 0 HB1 ALA A 46 20.795 33.553 15.955 1.00 44.11 H new ATOM 0 HB2 ALA A 46 21.613 34.706 14.874 1.00 44.11 H new ATOM 0 HB3 ALA A 46 19.894 34.929 15.276 1.00 44.11 H new ATOM 744 N LEU A 47 19.019 31.830 15.288 1.00 23.11 N ATOM 745 CA LEU A 47 17.865 31.030 15.686 1.00 43.23 C ATOM 746 C LEU A 47 17.809 30.873 17.202 1.00 14.34 C ATOM 747 O LEU A 47 18.639 30.189 17.798 1.00 63.15 O ATOM 748 CB LEU A 47 17.921 29.653 15.021 1.00 15.43 C ATOM 749 CG LEU A 47 17.796 29.638 13.498 1.00 75.04 C ATOM 750 CD1 LEU A 47 18.178 28.275 12.944 1.00 22.13 C ATOM 751 CD2 LEU A 47 16.382 30.010 13.075 1.00 53.42 C ATOM 0 H LEU A 47 19.811 31.777 15.929 1.00 23.11 H new ATOM 0 HA LEU A 47 16.964 31.548 15.359 1.00 43.23 H new ATOM 0 HB2 LEU A 47 18.864 29.179 15.293 1.00 15.43 H new ATOM 0 HB3 LEU A 47 17.123 29.038 15.437 1.00 15.43 H new ATOM 0 HG LEU A 47 18.483 30.379 13.089 1.00 75.04 H new ATOM 0 HD11 LEU A 47 18.083 28.284 11.858 1.00 22.13 H new ATOM 0 HD12 LEU A 47 19.209 28.048 13.216 1.00 22.13 H new ATOM 0 HD13 LEU A 47 17.517 27.515 13.360 1.00 22.13 H new ATOM 0 HD21 LEU A 47 16.312 29.994 11.987 1.00 53.42 H new ATOM 0 HD22 LEU A 47 15.676 29.293 13.495 1.00 53.42 H new ATOM 0 HD23 LEU A 47 16.144 31.009 13.439 1.00 53.42 H new ATOM 763 N PHE A 48 16.820 31.512 17.821 1.00 64.13 N ATOM 764 CA PHE A 48 16.654 31.443 19.269 1.00 75.34 C ATOM 765 C PHE A 48 17.998 31.573 19.977 1.00 2.13 C ATOM 766 O PHE A 48 18.988 31.996 19.381 1.00 33.12 O ATOM 767 CB PHE A 48 15.981 30.126 19.663 1.00 70.00 C ATOM 768 CG PHE A 48 16.765 28.909 19.263 1.00 73.12 C ATOM 769 CD1 PHE A 48 17.741 28.391 20.098 1.00 3.51 C ATOM 770 CD2 PHE A 48 16.525 28.283 18.049 1.00 25.05 C ATOM 771 CE1 PHE A 48 18.464 27.272 19.732 1.00 4.34 C ATOM 772 CE2 PHE A 48 17.245 27.162 17.679 1.00 30.21 C ATOM 773 CZ PHE A 48 18.216 26.657 18.521 1.00 12.23 C ATOM 0 H PHE A 48 16.123 32.083 17.343 1.00 64.13 H new ATOM 0 HA PHE A 48 16.020 32.274 19.578 1.00 75.34 H new ATOM 0 HB2 PHE A 48 15.831 30.113 20.742 1.00 70.00 H new ATOM 0 HB3 PHE A 48 14.994 30.080 19.203 1.00 70.00 H new ATOM 0 HD1 PHE A 48 17.939 28.868 21.047 1.00 3.51 H new ATOM 0 HD2 PHE A 48 15.768 28.675 17.386 1.00 25.05 H new ATOM 0 HE1 PHE A 48 19.222 26.879 20.393 1.00 4.34 H new ATOM 0 HE2 PHE A 48 17.048 26.682 16.732 1.00 30.21 H new ATOM 0 HZ PHE A 48 18.780 25.783 18.233 1.00 12.23 H new ATOM 783 N SER A 49 18.024 31.207 21.255 1.00 64.35 N ATOM 784 CA SER A 49 19.246 31.285 22.047 1.00 10.24 C ATOM 785 C SER A 49 19.569 32.733 22.404 1.00 34.02 C ATOM 786 O SER A 49 19.422 33.148 23.554 1.00 52.11 O ATOM 787 CB SER A 49 20.416 30.664 21.284 1.00 43.02 C ATOM 788 OG SER A 49 21.037 29.641 22.045 1.00 34.05 O ATOM 0 H SER A 49 17.213 30.854 21.763 1.00 64.35 H new ATOM 0 HA SER A 49 19.087 30.727 22.970 1.00 10.24 H new ATOM 0 HB2 SER A 49 20.061 30.253 20.339 1.00 43.02 H new ATOM 0 HB3 SER A 49 21.147 31.436 21.042 1.00 43.02 H new ATOM 0 HG SER A 49 21.781 29.259 21.534 1.00 34.05 H new ATOM 794 N GLN A 50 20.009 33.497 21.409 1.00 1.41 N ATOM 795 CA GLN A 50 20.354 34.898 21.618 1.00 14.20 C ATOM 796 C GLN A 50 19.223 35.812 21.157 1.00 63.43 C ATOM 797 O GLN A 50 19.449 36.774 20.423 1.00 21.10 O ATOM 798 CB GLN A 50 21.642 35.245 20.871 1.00 51.02 C ATOM 799 CG GLN A 50 22.242 36.582 21.279 1.00 32.31 C ATOM 800 CD GLN A 50 22.469 37.504 20.097 1.00 2.41 C ATOM 801 OE1 GLN A 50 21.748 38.484 19.913 1.00 52.11 O ATOM 802 NE2 GLN A 50 23.477 37.195 19.290 1.00 74.11 N ATOM 0 H GLN A 50 20.135 33.170 20.451 1.00 1.41 H new ATOM 0 HA GLN A 50 20.509 35.052 22.686 1.00 14.20 H new ATOM 0 HB2 GLN A 50 22.376 34.459 21.045 1.00 51.02 H new ATOM 0 HB3 GLN A 50 21.438 35.259 19.800 1.00 51.02 H new ATOM 0 HG2 GLN A 50 21.580 37.070 21.994 1.00 32.31 H new ATOM 0 HG3 GLN A 50 23.190 36.410 21.789 1.00 32.31 H new ATOM 0 HE21 GLN A 50 24.049 36.373 19.481 1.00 74.11 H new ATOM 0 HE22 GLN A 50 23.679 37.780 18.479 1.00 74.11 H new ATOM 811 N SER A 51 18.005 35.503 21.591 1.00 33.51 N ATOM 812 CA SER A 51 16.837 36.294 21.219 1.00 61.15 C ATOM 813 C SER A 51 16.795 36.523 19.711 1.00 43.24 C ATOM 814 O SER A 51 16.355 37.573 19.244 1.00 1.34 O ATOM 815 CB SER A 51 16.851 37.637 21.950 1.00 11.34 C ATOM 816 OG SER A 51 17.309 37.487 23.283 1.00 10.23 O ATOM 0 H SER A 51 17.801 34.711 22.200 1.00 33.51 H new ATOM 0 HA SER A 51 15.945 35.740 21.510 1.00 61.15 H new ATOM 0 HB2 SER A 51 17.494 38.338 21.418 1.00 11.34 H new ATOM 0 HB3 SER A 51 15.848 38.064 21.953 1.00 11.34 H new ATOM 0 HG SER A 51 17.310 38.360 23.729 1.00 10.23 H new ATOM 822 N ALA A 52 17.257 35.532 18.954 1.00 13.43 N ATOM 823 CA ALA A 52 17.271 35.625 17.500 1.00 11.14 C ATOM 824 C ALA A 52 15.914 36.074 16.966 1.00 42.41 C ATOM 825 O ALA A 52 15.815 37.093 16.281 1.00 35.12 O ATOM 826 CB ALA A 52 17.662 34.287 16.891 1.00 42.35 C ATOM 0 H ALA A 52 17.626 34.656 19.324 1.00 13.43 H new ATOM 0 HA ALA A 52 18.011 36.373 17.215 1.00 11.14 H new ATOM 0 HB1 ALA A 52 17.669 34.370 15.804 1.00 42.35 H new ATOM 0 HB2 ALA A 52 18.656 34.005 17.240 1.00 42.35 H new ATOM 0 HB3 ALA A 52 16.942 33.526 17.192 1.00 42.35 H new ATOM 832 N ILE A 53 14.876 35.309 17.282 1.00 13.12 N ATOM 833 CA ILE A 53 13.527 35.631 16.833 1.00 35.11 C ATOM 834 C ILE A 53 12.494 35.275 17.898 1.00 23.20 C ATOM 835 O ILE A 53 12.512 34.175 18.451 1.00 12.21 O ATOM 836 CB ILE A 53 13.177 34.892 15.528 1.00 34.14 C ATOM 837 CG1 ILE A 53 14.206 35.213 14.443 1.00 42.24 C ATOM 838 CG2 ILE A 53 11.777 35.269 15.065 1.00 23.13 C ATOM 839 CD1 ILE A 53 14.039 34.387 13.187 1.00 63.32 C ATOM 0 H ILE A 53 14.942 34.462 17.847 1.00 13.12 H new ATOM 0 HA ILE A 53 13.503 36.705 16.651 1.00 35.11 H new ATOM 0 HB ILE A 53 13.200 33.819 15.718 1.00 34.14 H new ATOM 0 HG12 ILE A 53 14.133 36.270 14.185 1.00 42.24 H new ATOM 0 HG13 ILE A 53 15.207 35.051 14.844 1.00 42.24 H new ATOM 0 HG21 ILE A 53 11.544 34.739 14.142 1.00 23.13 H new ATOM 0 HG22 ILE A 53 11.054 34.995 15.833 1.00 23.13 H new ATOM 0 HG23 ILE A 53 11.729 36.344 14.888 1.00 23.13 H new ATOM 0 HD11 ILE A 53 14.803 34.669 12.462 1.00 63.32 H new ATOM 0 HD12 ILE A 53 14.142 33.330 13.431 1.00 63.32 H new ATOM 0 HD13 ILE A 53 13.051 34.567 12.762 1.00 63.32 H new ATOM 851 N SER A 54 11.594 36.212 18.178 1.00 53.35 N ATOM 852 CA SER A 54 10.554 35.999 19.178 1.00 72.32 C ATOM 853 C SER A 54 9.625 34.863 18.761 1.00 22.12 C ATOM 854 O SER A 54 8.648 35.078 18.045 1.00 62.32 O ATOM 855 CB SER A 54 9.748 37.281 19.387 1.00 53.31 C ATOM 856 OG SER A 54 9.822 37.717 20.733 1.00 44.20 O ATOM 0 H SER A 54 11.564 37.126 17.726 1.00 53.35 H new ATOM 0 HA SER A 54 11.037 35.725 20.116 1.00 72.32 H new ATOM 0 HB2 SER A 54 10.125 38.063 18.727 1.00 53.31 H new ATOM 0 HB3 SER A 54 8.707 37.108 19.114 1.00 53.31 H new ATOM 0 HG SER A 54 9.300 38.539 20.840 1.00 44.20 H new ATOM 862 N GLN A 55 9.938 33.653 19.215 1.00 12.40 N ATOM 863 CA GLN A 55 9.133 32.483 18.890 1.00 35.32 C ATOM 864 C GLN A 55 7.647 32.775 19.078 1.00 53.04 C ATOM 865 O GLN A 55 6.798 32.187 18.407 1.00 13.43 O ATOM 866 CB GLN A 55 9.544 31.295 19.761 1.00 42.41 C ATOM 867 CG GLN A 55 9.749 31.655 21.223 1.00 1.33 C ATOM 868 CD GLN A 55 11.211 31.847 21.578 1.00 15.14 C ATOM 869 OE1 GLN A 55 12.085 31.154 21.057 1.00 74.24 O ATOM 870 NE2 GLN A 55 11.484 32.792 22.470 1.00 13.22 N ATOM 0 H GLN A 55 10.744 33.458 19.809 1.00 12.40 H new ATOM 0 HA GLN A 55 9.307 32.234 17.843 1.00 35.32 H new ATOM 0 HB2 GLN A 55 8.780 30.521 19.690 1.00 42.41 H new ATOM 0 HB3 GLN A 55 10.467 30.869 19.368 1.00 42.41 H new ATOM 0 HG2 GLN A 55 9.201 32.570 21.448 1.00 1.33 H new ATOM 0 HG3 GLN A 55 9.327 30.869 21.849 1.00 1.33 H new ATOM 0 HE21 GLN A 55 10.728 33.343 22.877 1.00 13.22 H new ATOM 0 HE22 GLN A 55 12.450 32.967 22.748 1.00 13.22 H new ATOM 879 N LYS A 56 7.340 33.687 19.993 1.00 23.25 N ATOM 880 CA LYS A 56 5.957 34.059 20.270 1.00 61.05 C ATOM 881 C LYS A 56 5.257 34.533 19.000 1.00 62.21 C ATOM 882 O LYS A 56 5.346 35.703 18.632 1.00 33.40 O ATOM 883 CB LYS A 56 5.907 35.159 21.334 1.00 72.52 C ATOM 884 CG LYS A 56 6.922 36.266 21.112 1.00 33.14 C ATOM 885 CD LYS A 56 6.644 37.463 22.005 1.00 3.24 C ATOM 886 CE LYS A 56 7.098 37.210 23.435 1.00 62.04 C ATOM 887 NZ LYS A 56 8.047 38.255 23.909 1.00 10.01 N ATOM 0 H LYS A 56 8.031 34.183 20.556 1.00 23.25 H new ATOM 0 HA LYS A 56 5.437 33.177 20.643 1.00 61.05 H new ATOM 0 HB2 LYS A 56 4.907 35.592 21.350 1.00 72.52 H new ATOM 0 HB3 LYS A 56 6.077 34.713 22.314 1.00 72.52 H new ATOM 0 HG2 LYS A 56 7.925 35.887 21.311 1.00 33.14 H new ATOM 0 HG3 LYS A 56 6.900 36.577 20.068 1.00 33.14 H new ATOM 0 HD2 LYS A 56 7.156 38.340 21.609 1.00 3.24 H new ATOM 0 HD3 LYS A 56 5.577 37.686 21.995 1.00 3.24 H new ATOM 0 HE2 LYS A 56 6.229 37.183 24.093 1.00 62.04 H new ATOM 0 HE3 LYS A 56 7.575 36.232 23.497 1.00 62.04 H new ATOM 0 HZ1 LYS A 56 8.333 38.047 24.887 1.00 10.01 H new ATOM 0 HZ2 LYS A 56 8.888 38.264 23.297 1.00 10.01 H new ATOM 0 HZ3 LYS A 56 7.584 39.186 23.874 1.00 10.01 H new ATOM 901 N GLU A 57 4.561 33.615 18.336 1.00 3.23 N ATOM 902 CA GLU A 57 3.846 33.940 17.109 1.00 74.35 C ATOM 903 C GLU A 57 4.756 34.671 16.126 1.00 15.52 C ATOM 904 O GLU A 57 4.315 35.565 15.402 1.00 61.43 O ATOM 905 CB GLU A 57 2.618 34.800 17.419 1.00 21.53 C ATOM 906 CG GLU A 57 1.813 34.301 18.608 1.00 10.53 C ATOM 907 CD GLU A 57 0.417 34.893 18.656 1.00 33.22 C ATOM 908 OE1 GLU A 57 0.235 36.025 18.162 1.00 33.31 O ATOM 909 OE2 GLU A 57 -0.493 34.222 19.187 1.00 60.20 O ATOM 0 H GLU A 57 4.478 32.641 18.628 1.00 3.23 H new ATOM 0 HA GLU A 57 3.520 33.006 16.651 1.00 74.35 H new ATOM 0 HB2 GLU A 57 2.940 35.823 17.612 1.00 21.53 H new ATOM 0 HB3 GLU A 57 1.974 34.829 16.540 1.00 21.53 H new ATOM 0 HG2 GLU A 57 1.742 33.214 18.564 1.00 10.53 H new ATOM 0 HG3 GLU A 57 2.341 34.548 19.529 1.00 10.53 H new ATOM 916 N TYR A 58 6.026 34.287 16.108 1.00 3.30 N ATOM 917 CA TYR A 58 7.000 34.907 15.217 1.00 10.21 C ATOM 918 C TYR A 58 6.479 34.950 13.785 1.00 60.14 C ATOM 919 O TYR A 58 5.458 34.339 13.465 1.00 51.13 O ATOM 920 CB TYR A 58 8.326 34.146 15.267 1.00 53.32 C ATOM 921 CG TYR A 58 8.386 32.970 14.318 1.00 11.34 C ATOM 922 CD1 TYR A 58 7.410 31.981 14.346 1.00 73.14 C ATOM 923 CD2 TYR A 58 9.417 32.848 13.395 1.00 32.15 C ATOM 924 CE1 TYR A 58 7.460 30.905 13.481 1.00 71.54 C ATOM 925 CE2 TYR A 58 9.474 31.777 12.527 1.00 63.33 C ATOM 926 CZ TYR A 58 8.494 30.807 12.573 1.00 51.12 C ATOM 927 OH TYR A 58 8.548 29.737 11.710 1.00 41.03 O ATOM 0 H TYR A 58 6.406 33.549 16.700 1.00 3.30 H new ATOM 0 HA TYR A 58 7.163 35.930 15.555 1.00 10.21 H new ATOM 0 HB2 TYR A 58 9.139 34.833 15.032 1.00 53.32 H new ATOM 0 HB3 TYR A 58 8.493 33.790 16.284 1.00 53.32 H new ATOM 0 HD1 TYR A 58 6.599 32.055 15.056 1.00 73.14 H new ATOM 0 HD2 TYR A 58 10.187 33.604 13.356 1.00 32.15 H new ATOM 0 HE1 TYR A 58 6.694 30.145 13.515 1.00 71.54 H new ATOM 0 HE2 TYR A 58 10.282 31.698 11.815 1.00 63.33 H new ATOM 0 HH TYR A 58 9.338 29.820 11.136 1.00 41.03 H new ATOM 937 N ASP A 59 7.187 35.674 12.925 1.00 62.24 N ATOM 938 CA ASP A 59 6.798 35.795 11.525 1.00 20.12 C ATOM 939 C ASP A 59 7.808 35.098 10.617 1.00 2.24 C ATOM 940 O ASP A 59 8.984 35.460 10.588 1.00 1.33 O ATOM 941 CB ASP A 59 6.675 37.269 11.134 1.00 74.13 C ATOM 942 CG ASP A 59 5.243 37.672 10.840 1.00 32.41 C ATOM 943 OD1 ASP A 59 4.374 37.454 11.711 1.00 4.01 O ATOM 944 OD2 ASP A 59 4.991 38.206 9.740 1.00 33.04 O ATOM 0 H ASP A 59 8.034 36.186 13.173 1.00 62.24 H new ATOM 0 HA ASP A 59 5.829 35.311 11.400 1.00 20.12 H new ATOM 0 HB2 ASP A 59 7.066 37.890 11.940 1.00 74.13 H new ATOM 0 HB3 ASP A 59 7.291 37.462 10.256 1.00 74.13 H new ATOM 949 N SER A 60 7.340 34.097 9.880 1.00 60.10 N ATOM 950 CA SER A 60 8.204 33.345 8.976 1.00 35.40 C ATOM 951 C SER A 60 8.909 34.280 7.998 1.00 20.40 C ATOM 952 O SER A 60 9.981 33.961 7.482 1.00 11.52 O ATOM 953 CB SER A 60 7.388 32.304 8.206 1.00 5.24 C ATOM 954 OG SER A 60 6.004 32.438 8.477 1.00 31.45 O ATOM 0 H SER A 60 6.368 33.787 9.890 1.00 60.10 H new ATOM 0 HA SER A 60 8.959 32.835 9.574 1.00 35.40 H new ATOM 0 HB2 SER A 60 7.565 32.417 7.136 1.00 5.24 H new ATOM 0 HB3 SER A 60 7.720 31.302 8.480 1.00 5.24 H new ATOM 0 HG SER A 60 5.505 31.763 7.972 1.00 31.45 H new ATOM 960 N SER A 61 8.300 35.434 7.746 1.00 2.14 N ATOM 961 CA SER A 61 8.867 36.413 6.828 1.00 54.32 C ATOM 962 C SER A 61 10.165 36.993 7.384 1.00 35.50 C ATOM 963 O SER A 61 10.985 37.535 6.641 1.00 33.51 O ATOM 964 CB SER A 61 7.864 37.538 6.566 1.00 40.13 C ATOM 965 OG SER A 61 7.587 37.663 5.181 1.00 0.12 O ATOM 0 H SER A 61 7.413 35.714 8.165 1.00 2.14 H new ATOM 0 HA SER A 61 9.089 35.907 5.889 1.00 54.32 H new ATOM 0 HB2 SER A 61 6.940 37.339 7.108 1.00 40.13 H new ATOM 0 HB3 SER A 61 8.261 38.479 6.947 1.00 40.13 H new ATOM 0 HG SER A 61 6.942 38.387 5.040 1.00 0.12 H new ATOM 971 N LEU A 62 10.344 36.873 8.695 1.00 55.33 N ATOM 972 CA LEU A 62 11.541 37.385 9.352 1.00 1.10 C ATOM 973 C LEU A 62 12.501 36.250 9.695 1.00 63.24 C ATOM 974 O LEU A 62 13.578 36.479 10.245 1.00 53.41 O ATOM 975 CB LEU A 62 11.163 38.149 10.622 1.00 1.04 C ATOM 976 CG LEU A 62 11.116 37.327 11.911 1.00 5.21 C ATOM 977 CD1 LEU A 62 12.400 37.507 12.706 1.00 14.15 C ATOM 978 CD2 LEU A 62 9.908 37.718 12.749 1.00 23.53 C ATOM 0 H LEU A 62 9.676 36.426 9.323 1.00 55.33 H new ATOM 0 HA LEU A 62 12.042 38.064 8.662 1.00 1.10 H new ATOM 0 HB2 LEU A 62 11.876 38.962 10.759 1.00 1.04 H new ATOM 0 HB3 LEU A 62 10.185 38.605 10.470 1.00 1.04 H new ATOM 0 HG LEU A 62 11.023 36.274 11.645 1.00 5.21 H new ATOM 0 HD11 LEU A 62 12.348 36.915 13.620 1.00 14.15 H new ATOM 0 HD12 LEU A 62 13.248 37.176 12.107 1.00 14.15 H new ATOM 0 HD13 LEU A 62 12.525 38.559 12.962 1.00 14.15 H new ATOM 0 HD21 LEU A 62 9.891 37.123 13.662 1.00 23.53 H new ATOM 0 HD22 LEU A 62 9.970 38.775 13.006 1.00 23.53 H new ATOM 0 HD23 LEU A 62 8.996 37.536 12.180 1.00 23.53 H new ATOM 990 N ALA A 63 12.104 35.026 9.363 1.00 53.14 N ATOM 991 CA ALA A 63 12.930 33.855 9.631 1.00 43.40 C ATOM 992 C ALA A 63 13.237 33.093 8.346 1.00 53.50 C ATOM 993 O ALA A 63 12.418 32.310 7.865 1.00 32.12 O ATOM 994 CB ALA A 63 12.244 32.943 10.636 1.00 13.54 C ATOM 0 H ALA A 63 11.215 34.819 8.908 1.00 53.14 H new ATOM 0 HA ALA A 63 13.874 34.198 10.054 1.00 43.40 H new ATOM 0 HB1 ALA A 63 12.873 32.073 10.826 1.00 13.54 H new ATOM 0 HB2 ALA A 63 12.083 33.485 11.568 1.00 13.54 H new ATOM 0 HB3 ALA A 63 11.284 32.617 10.235 1.00 13.54 H new ATOM 1000 N THR A 64 14.423 33.329 7.792 1.00 12.43 N ATOM 1001 CA THR A 64 14.836 32.668 6.562 1.00 65.41 C ATOM 1002 C THR A 64 15.128 31.191 6.804 1.00 73.42 C ATOM 1003 O THR A 64 14.822 30.653 7.869 1.00 33.25 O ATOM 1004 CB THR A 64 16.088 33.333 5.959 1.00 13.22 C ATOM 1005 OG1 THR A 64 16.407 34.524 6.687 1.00 43.33 O ATOM 1006 CG2 THR A 64 15.867 33.673 4.493 1.00 33.31 C ATOM 0 H THR A 64 15.114 33.973 8.177 1.00 12.43 H new ATOM 0 HA THR A 64 14.008 32.763 5.859 1.00 65.41 H new ATOM 0 HB THR A 64 16.917 32.629 6.031 1.00 13.22 H new ATOM 0 HG1 THR A 64 17.205 34.941 6.299 1.00 43.33 H new ATOM 0 HG21 THR A 64 16.764 34.142 4.089 1.00 33.31 H new ATOM 0 HG22 THR A 64 15.652 32.761 3.936 1.00 33.31 H new ATOM 0 HG23 THR A 64 15.026 34.361 4.402 1.00 33.31 H new ATOM 1014 N LEU A 65 15.721 30.539 5.809 1.00 35.23 N ATOM 1015 CA LEU A 65 16.053 29.122 5.914 1.00 23.13 C ATOM 1016 C LEU A 65 14.817 28.295 6.252 1.00 0.50 C ATOM 1017 O LEU A 65 14.816 27.527 7.214 1.00 11.23 O ATOM 1018 CB LEU A 65 17.130 28.909 6.979 1.00 5.14 C ATOM 1019 CG LEU A 65 18.568 29.203 6.549 1.00 11.41 C ATOM 1020 CD1 LEU A 65 18.650 30.552 5.851 1.00 41.24 C ATOM 1021 CD2 LEU A 65 19.502 29.164 7.748 1.00 44.50 C ATOM 0 H LEU A 65 15.981 30.969 4.921 1.00 35.23 H new ATOM 0 HA LEU A 65 16.434 28.791 4.948 1.00 23.13 H new ATOM 0 HB2 LEU A 65 16.893 29.538 7.837 1.00 5.14 H new ATOM 0 HB3 LEU A 65 17.078 27.874 7.318 1.00 5.14 H new ATOM 0 HG LEU A 65 18.881 28.432 5.845 1.00 11.41 H new ATOM 0 HD11 LEU A 65 19.680 30.745 5.552 1.00 41.24 H new ATOM 0 HD12 LEU A 65 18.011 30.544 4.968 1.00 41.24 H new ATOM 0 HD13 LEU A 65 18.317 31.335 6.532 1.00 41.24 H new ATOM 0 HD21 LEU A 65 20.521 29.375 7.423 1.00 44.50 H new ATOM 0 HD22 LEU A 65 19.191 29.913 8.476 1.00 44.50 H new ATOM 0 HD23 LEU A 65 19.465 28.176 8.206 1.00 44.50 H new ATOM 1033 N ASP A 66 13.767 28.457 5.454 1.00 62.34 N ATOM 1034 CA ASP A 66 12.525 27.723 5.667 1.00 51.14 C ATOM 1035 C ASP A 66 12.797 26.230 5.824 1.00 21.40 C ATOM 1036 O ASP A 66 13.896 25.754 5.537 1.00 12.33 O ATOM 1037 CB ASP A 66 11.563 27.958 4.502 1.00 54.33 C ATOM 1038 CG ASP A 66 10.421 28.883 4.873 1.00 72.31 C ATOM 1039 OD1 ASP A 66 10.666 29.866 5.602 1.00 34.13 O ATOM 1040 OD2 ASP A 66 9.282 28.625 4.431 1.00 20.42 O ATOM 0 H ASP A 66 13.751 29.090 4.654 1.00 62.34 H new ATOM 0 HA ASP A 66 12.068 28.090 6.586 1.00 51.14 H new ATOM 0 HB2 ASP A 66 12.112 28.382 3.661 1.00 54.33 H new ATOM 0 HB3 ASP A 66 11.159 27.002 4.169 1.00 54.33 H new ATOM 1045 N HIS A 67 11.789 25.496 6.284 1.00 30.44 N ATOM 1046 CA HIS A 67 11.918 24.056 6.481 1.00 1.01 C ATOM 1047 C HIS A 67 10.734 23.315 5.868 1.00 74.05 C ATOM 1048 O HIS A 67 9.579 23.683 6.082 1.00 15.35 O ATOM 1049 CB HIS A 67 12.022 23.731 7.971 1.00 1.24 C ATOM 1050 CG HIS A 67 13.123 24.469 8.670 1.00 62.24 C ATOM 1051 ND1 HIS A 67 14.367 24.804 8.254 1.00 32.43 N flip ATOM 1052 CD2 HIS A 67 13.008 24.951 9.956 1.00 4.03 C flip ATOM 1053 CE1 HIS A 67 14.974 25.476 9.286 1.00 71.34 C flip ATOM 1054 NE2 HIS A 67 14.132 25.552 10.302 1.00 13.40 N flip ATOM 0 H HIS A 67 10.874 25.874 6.527 1.00 30.44 H new ATOM 0 HA HIS A 67 12.828 23.726 5.981 1.00 1.01 H new ATOM 0 HB2 HIS A 67 11.074 23.968 8.453 1.00 1.24 H new ATOM 0 HB3 HIS A 67 12.181 22.659 8.090 1.00 1.24 H new ATOM 0 HD2 HIS A 67 12.134 24.853 10.583 1.00 4.03 H new ATOM 0 HE1 HIS A 67 15.977 25.877 9.270 1.00 71.34 H new ATOM 0 HE2 HIS A 67 14.318 25.999 11.200 1.00 13.40 H new ATOM 1062 N THR A 68 11.028 22.269 5.103 1.00 65.11 N ATOM 1063 CA THR A 68 9.989 21.477 4.457 1.00 61.42 C ATOM 1064 C THR A 68 9.651 20.239 5.279 1.00 25.43 C ATOM 1065 O THR A 68 10.434 19.292 5.342 1.00 21.42 O ATOM 1066 CB THR A 68 10.413 21.039 3.042 1.00 53.41 C ATOM 1067 OG1 THR A 68 10.609 22.190 2.213 1.00 61.23 O ATOM 1068 CG2 THR A 68 9.363 20.132 2.419 1.00 4.41 C ATOM 0 H THR A 68 11.979 21.950 4.915 1.00 65.11 H new ATOM 0 HA THR A 68 9.107 22.114 4.383 1.00 61.42 H new ATOM 0 HB THR A 68 11.348 20.484 3.121 1.00 53.41 H new ATOM 0 HG1 THR A 68 10.406 21.961 1.282 1.00 61.23 H new ATOM 0 HG21 THR A 68 9.684 19.836 1.420 1.00 4.41 H new ATOM 0 HG22 THR A 68 9.236 19.244 3.038 1.00 4.41 H new ATOM 0 HG23 THR A 68 8.415 20.666 2.352 1.00 4.41 H new ATOM 1076 N GLU A 69 8.479 20.252 5.907 1.00 41.00 N ATOM 1077 CA GLU A 69 8.039 19.128 6.726 1.00 12.33 C ATOM 1078 C GLU A 69 7.359 18.065 5.869 1.00 62.22 C ATOM 1079 O GLU A 69 6.373 18.340 5.185 1.00 1.24 O ATOM 1080 CB GLU A 69 7.079 19.609 7.816 1.00 4.11 C ATOM 1081 CG GLU A 69 5.881 20.374 7.280 1.00 40.42 C ATOM 1082 CD GLU A 69 5.696 21.718 7.958 1.00 33.53 C ATOM 1083 OE1 GLU A 69 5.390 21.735 9.168 1.00 5.25 O ATOM 1084 OE2 GLU A 69 5.858 22.753 7.278 1.00 33.13 O ATOM 0 H GLU A 69 7.818 21.028 5.864 1.00 41.00 H new ATOM 0 HA GLU A 69 8.918 18.686 7.194 1.00 12.33 H new ATOM 0 HB2 GLU A 69 6.725 18.747 8.382 1.00 4.11 H new ATOM 0 HB3 GLU A 69 7.624 20.246 8.512 1.00 4.11 H new ATOM 0 HG2 GLU A 69 6.002 20.526 6.207 1.00 40.42 H new ATOM 0 HG3 GLU A 69 4.981 19.775 7.418 1.00 40.42 H new ATOM 1091 N ILE A 70 7.896 16.850 5.909 1.00 33.31 N ATOM 1092 CA ILE A 70 7.342 15.744 5.137 1.00 12.34 C ATOM 1093 C ILE A 70 6.177 15.090 5.872 1.00 32.23 C ATOM 1094 O ILE A 70 6.373 14.338 6.827 1.00 64.35 O ATOM 1095 CB ILE A 70 8.410 14.676 4.838 1.00 64.35 C ATOM 1096 CG1 ILE A 70 9.553 15.281 4.021 1.00 52.34 C ATOM 1097 CG2 ILE A 70 7.790 13.499 4.100 1.00 14.22 C ATOM 1098 CD1 ILE A 70 10.598 15.976 4.865 1.00 50.22 C ATOM 0 H ILE A 70 8.714 16.607 6.468 1.00 33.31 H new ATOM 0 HA ILE A 70 6.986 16.163 4.196 1.00 12.34 H new ATOM 0 HB ILE A 70 8.815 14.315 5.783 1.00 64.35 H new ATOM 0 HG12 ILE A 70 10.032 14.492 3.442 1.00 52.34 H new ATOM 0 HG13 ILE A 70 9.141 15.995 3.308 1.00 52.34 H new ATOM 0 HG21 ILE A 70 8.558 12.752 3.896 1.00 14.22 H new ATOM 0 HG22 ILE A 70 7.007 13.056 4.715 1.00 14.22 H new ATOM 0 HG23 ILE A 70 7.361 13.845 3.160 1.00 14.22 H new ATOM 0 HD11 ILE A 70 11.377 16.381 4.219 1.00 50.22 H new ATOM 0 HD12 ILE A 70 10.133 16.788 5.425 1.00 50.22 H new ATOM 0 HD13 ILE A 70 11.038 15.261 5.561 1.00 50.22 H new ATOM 1110 N LYS A 71 4.962 15.380 5.420 1.00 74.42 N ATOM 1111 CA LYS A 71 3.763 14.818 6.030 1.00 12.21 C ATOM 1112 C LYS A 71 3.319 13.555 5.298 1.00 43.41 C ATOM 1113 O LYS A 71 3.712 13.319 4.156 1.00 3.14 O ATOM 1114 CB LYS A 71 2.631 15.849 6.023 1.00 71.41 C ATOM 1115 CG LYS A 71 2.321 16.402 4.643 1.00 41.03 C ATOM 1116 CD LYS A 71 2.348 17.921 4.633 1.00 71.23 C ATOM 1117 CE LYS A 71 3.662 18.452 4.081 1.00 52.33 C ATOM 1118 NZ LYS A 71 3.449 19.358 2.918 1.00 42.34 N ATOM 0 H LYS A 71 4.781 16.002 4.632 1.00 74.42 H new ATOM 0 HA LYS A 71 4.000 14.554 7.061 1.00 12.21 H new ATOM 0 HB2 LYS A 71 1.731 15.391 6.432 1.00 71.41 H new ATOM 0 HB3 LYS A 71 2.898 16.674 6.684 1.00 71.41 H new ATOM 0 HG2 LYS A 71 3.047 16.019 3.925 1.00 41.03 H new ATOM 0 HG3 LYS A 71 1.340 16.052 4.322 1.00 41.03 H new ATOM 0 HD2 LYS A 71 1.521 18.297 4.031 1.00 71.23 H new ATOM 0 HD3 LYS A 71 2.200 18.295 5.646 1.00 71.23 H new ATOM 0 HE2 LYS A 71 4.196 18.988 4.866 1.00 52.33 H new ATOM 0 HE3 LYS A 71 4.294 17.616 3.780 1.00 52.33 H new ATOM 0 HZ1 LYS A 71 4.368 19.699 2.571 1.00 42.34 H new ATOM 0 HZ2 LYS A 71 2.962 18.840 2.159 1.00 42.34 H new ATOM 0 HZ3 LYS A 71 2.868 20.169 3.212 1.00 42.34 H new ATOM 1132 N ALA A 72 2.499 12.748 5.963 1.00 4.12 N ATOM 1133 CA ALA A 72 2.000 11.512 5.374 1.00 3.51 C ATOM 1134 C ALA A 72 0.754 11.768 4.533 1.00 24.14 C ATOM 1135 O ALA A 72 -0.080 12.613 4.859 1.00 20.41 O ATOM 1136 CB ALA A 72 1.705 10.491 6.463 1.00 70.33 C ATOM 0 H ALA A 72 2.166 12.928 6.910 1.00 4.12 H new ATOM 0 HA ALA A 72 2.773 11.113 4.717 1.00 3.51 H new ATOM 0 HB1 ALA A 72 1.333 9.572 6.009 1.00 70.33 H new ATOM 0 HB2 ALA A 72 2.618 10.277 7.018 1.00 70.33 H new ATOM 0 HB3 ALA A 72 0.952 10.891 7.142 1.00 70.33 H new ATOM 1142 N PRO A 73 0.624 11.024 3.425 1.00 25.04 N ATOM 1143 CA PRO A 73 -0.518 11.152 2.515 1.00 2.45 C ATOM 1144 C PRO A 73 -1.813 10.636 3.133 1.00 54.43 C ATOM 1145 O PRO A 73 -2.841 11.312 3.098 1.00 74.41 O ATOM 1146 CB PRO A 73 -0.115 10.289 1.317 1.00 71.10 C ATOM 1147 CG PRO A 73 0.842 9.292 1.874 1.00 51.34 C ATOM 1148 CD PRO A 73 1.581 9.998 2.977 1.00 55.44 C ATOM 0 HA PRO A 73 -0.721 12.192 2.259 1.00 2.45 H new ATOM 0 HB2 PRO A 73 -0.982 9.800 0.872 1.00 71.10 H new ATOM 0 HB3 PRO A 73 0.349 10.889 0.535 1.00 71.10 H new ATOM 0 HG2 PRO A 73 0.316 8.417 2.255 1.00 51.34 H new ATOM 0 HG3 PRO A 73 1.531 8.941 1.106 1.00 51.34 H new ATOM 0 HD2 PRO A 73 1.846 9.315 3.784 1.00 55.44 H new ATOM 0 HD3 PRO A 73 2.509 10.443 2.618 1.00 55.44 H new ATOM 1156 N PHE A 74 -1.755 9.435 3.699 1.00 75.01 N ATOM 1157 CA PHE A 74 -2.925 8.829 4.325 1.00 62.55 C ATOM 1158 C PHE A 74 -2.529 8.047 5.574 1.00 3.51 C ATOM 1159 O PHE A 74 -1.382 7.623 5.717 1.00 53.43 O ATOM 1160 CB PHE A 74 -3.636 7.904 3.334 1.00 25.35 C ATOM 1161 CG PHE A 74 -2.738 6.856 2.740 1.00 12.53 C ATOM 1162 CD1 PHE A 74 -1.947 7.147 1.640 1.00 34.14 C ATOM 1163 CD2 PHE A 74 -2.685 5.582 3.281 1.00 35.44 C ATOM 1164 CE1 PHE A 74 -1.119 6.186 1.091 1.00 61.23 C ATOM 1165 CE2 PHE A 74 -1.859 4.618 2.737 1.00 63.44 C ATOM 1166 CZ PHE A 74 -1.076 4.919 1.639 1.00 10.53 C ATOM 0 H PHE A 74 -0.912 8.863 3.737 1.00 75.01 H new ATOM 0 HA PHE A 74 -3.605 9.628 4.619 1.00 62.55 H new ATOM 0 HB2 PHE A 74 -4.468 7.414 3.840 1.00 25.35 H new ATOM 0 HB3 PHE A 74 -4.061 8.505 2.530 1.00 25.35 H new ATOM 0 HD1 PHE A 74 -1.978 8.136 1.207 1.00 34.14 H new ATOM 0 HD2 PHE A 74 -3.296 5.340 4.138 1.00 35.44 H new ATOM 0 HE1 PHE A 74 -0.506 6.426 0.234 1.00 61.23 H new ATOM 0 HE2 PHE A 74 -1.825 3.629 3.170 1.00 63.44 H new ATOM 0 HZ PHE A 74 -0.432 4.165 1.210 1.00 10.53 H new ATOM 1176 N ASP A 75 -3.486 7.860 6.475 1.00 11.30 N ATOM 1177 CA ASP A 75 -3.240 7.130 7.713 1.00 3.13 C ATOM 1178 C ASP A 75 -2.736 5.719 7.421 1.00 52.32 C ATOM 1179 O ASP A 75 -2.510 5.357 6.266 1.00 10.25 O ATOM 1180 CB ASP A 75 -4.515 7.065 8.555 1.00 63.41 C ATOM 1181 CG ASP A 75 -5.700 6.540 7.770 1.00 34.32 C ATOM 1182 OD1 ASP A 75 -6.156 7.241 6.842 1.00 12.44 O ATOM 1183 OD2 ASP A 75 -6.172 5.428 8.083 1.00 74.42 O ATOM 0 H ASP A 75 -4.441 8.204 6.371 1.00 11.30 H new ATOM 0 HA ASP A 75 -2.471 7.663 8.273 1.00 3.13 H new ATOM 0 HB2 ASP A 75 -4.343 6.425 9.420 1.00 63.41 H new ATOM 0 HB3 ASP A 75 -4.747 8.060 8.936 1.00 63.41 H new ATOM 1188 N GLY A 76 -2.561 4.929 8.475 1.00 71.33 N ATOM 1189 CA GLY A 76 -2.085 3.567 8.309 1.00 11.23 C ATOM 1190 C GLY A 76 -0.895 3.259 9.198 1.00 72.55 C ATOM 1191 O GLY A 76 -0.790 3.773 10.311 1.00 52.52 O ATOM 0 H GLY A 76 -2.740 5.206 9.440 1.00 71.33 H new ATOM 0 HA2 GLY A 76 -2.894 2.872 8.535 1.00 11.23 H new ATOM 0 HA3 GLY A 76 -1.808 3.406 7.267 1.00 11.23 H new ATOM 1195 N THR A 77 0.005 2.412 8.705 1.00 54.44 N ATOM 1196 CA THR A 77 1.191 2.033 9.461 1.00 43.13 C ATOM 1197 C THR A 77 2.464 2.444 8.731 1.00 53.14 C ATOM 1198 O THR A 77 2.546 2.350 7.505 1.00 22.22 O ATOM 1199 CB THR A 77 1.230 0.515 9.721 1.00 11.14 C ATOM 1200 OG1 THR A 77 0.164 0.143 10.603 1.00 70.10 O ATOM 1201 CG2 THR A 77 2.563 0.104 10.327 1.00 61.01 C ATOM 0 H THR A 77 -0.066 1.976 7.785 1.00 54.44 H new ATOM 0 HA THR A 77 1.138 2.557 10.415 1.00 43.13 H new ATOM 0 HB THR A 77 1.109 0.001 8.767 1.00 11.14 H new ATOM 0 HG1 THR A 77 0.194 -0.823 10.763 1.00 70.10 H new ATOM 0 HG21 THR A 77 2.567 -0.972 10.502 1.00 61.01 H new ATOM 0 HG22 THR A 77 3.370 0.363 9.641 1.00 61.01 H new ATOM 0 HG23 THR A 77 2.709 0.626 11.273 1.00 61.01 H new ATOM 1209 N ILE A 78 3.455 2.899 9.489 1.00 43.32 N ATOM 1210 CA ILE A 78 4.725 3.323 8.912 1.00 0.31 C ATOM 1211 C ILE A 78 5.857 2.391 9.331 1.00 62.32 C ATOM 1212 O ILE A 78 5.858 1.857 10.439 1.00 22.34 O ATOM 1213 CB ILE A 78 5.080 4.762 9.329 1.00 40.12 C ATOM 1214 CG1 ILE A 78 6.402 5.191 8.687 1.00 55.11 C ATOM 1215 CG2 ILE A 78 5.162 4.870 10.845 1.00 40.23 C ATOM 1216 CD1 ILE A 78 6.620 6.688 8.695 1.00 60.13 C ATOM 0 H ILE A 78 3.404 2.984 10.504 1.00 43.32 H new ATOM 0 HA ILE A 78 4.608 3.285 7.829 1.00 0.31 H new ATOM 0 HB ILE A 78 4.293 5.430 8.979 1.00 40.12 H new ATOM 0 HG12 ILE A 78 7.226 4.709 9.214 1.00 55.11 H new ATOM 0 HG13 ILE A 78 6.430 4.833 7.658 1.00 55.11 H new ATOM 0 HG21 ILE A 78 5.414 5.893 11.124 1.00 40.23 H new ATOM 0 HG22 ILE A 78 4.200 4.601 11.281 1.00 40.23 H new ATOM 0 HG23 ILE A 78 5.931 4.193 11.217 1.00 40.23 H new ATOM 0 HD11 ILE A 78 7.576 6.919 8.225 1.00 60.13 H new ATOM 0 HD12 ILE A 78 5.817 7.176 8.143 1.00 60.13 H new ATOM 0 HD13 ILE A 78 6.625 7.049 9.723 1.00 60.13 H new ATOM 1228 N GLY A 79 6.821 2.201 8.436 1.00 64.12 N ATOM 1229 CA GLY A 79 7.948 1.334 8.731 1.00 33.33 C ATOM 1230 C GLY A 79 9.054 2.054 9.476 1.00 42.35 C ATOM 1231 O GLY A 79 8.790 2.936 10.293 1.00 70.22 O ATOM 0 H GLY A 79 6.842 2.632 7.512 1.00 64.12 H new ATOM 0 HA2 GLY A 79 7.605 0.487 9.326 1.00 33.33 H new ATOM 0 HA3 GLY A 79 8.345 0.930 7.800 1.00 33.33 H new ATOM 1235 N ASP A 80 10.296 1.677 9.194 1.00 0.20 N ATOM 1236 CA ASP A 80 11.448 2.293 9.844 1.00 34.43 C ATOM 1237 C ASP A 80 12.185 3.218 8.880 1.00 61.12 C ATOM 1238 O ASP A 80 12.178 3.001 7.668 1.00 12.24 O ATOM 1239 CB ASP A 80 12.401 1.217 10.367 1.00 40.23 C ATOM 1240 CG ASP A 80 13.664 1.805 10.964 1.00 24.23 C ATOM 1241 OD1 ASP A 80 13.552 2.692 11.836 1.00 40.42 O ATOM 1242 OD2 ASP A 80 14.767 1.378 10.560 1.00 60.52 O ATOM 0 H ASP A 80 10.531 0.948 8.520 1.00 0.20 H new ATOM 0 HA ASP A 80 11.086 2.886 10.684 1.00 34.43 H new ATOM 0 HB2 ASP A 80 11.890 0.619 11.121 1.00 40.23 H new ATOM 0 HB3 ASP A 80 12.667 0.544 9.552 1.00 40.23 H new ATOM 1247 N ALA A 81 12.818 4.250 9.427 1.00 2.01 N ATOM 1248 CA ALA A 81 13.561 5.208 8.617 1.00 62.23 C ATOM 1249 C ALA A 81 14.732 4.535 7.908 1.00 13.42 C ATOM 1250 O ALA A 81 15.306 3.570 8.415 1.00 72.24 O ATOM 1251 CB ALA A 81 14.054 6.359 9.480 1.00 42.43 C ATOM 0 H ALA A 81 12.831 4.444 10.428 1.00 2.01 H new ATOM 0 HA ALA A 81 12.888 5.603 7.856 1.00 62.23 H new ATOM 0 HB1 ALA A 81 14.607 7.066 8.862 1.00 42.43 H new ATOM 0 HB2 ALA A 81 13.202 6.864 9.935 1.00 42.43 H new ATOM 0 HB3 ALA A 81 14.707 5.973 10.263 1.00 42.43 H new ATOM 1257 N LEU A 82 15.081 5.050 6.734 1.00 1.00 N ATOM 1258 CA LEU A 82 16.184 4.499 5.955 1.00 42.01 C ATOM 1259 C LEU A 82 17.429 5.371 6.080 1.00 0.40 C ATOM 1260 O LEU A 82 18.548 4.866 6.177 1.00 70.42 O ATOM 1261 CB LEU A 82 15.783 4.372 4.484 1.00 2.00 C ATOM 1262 CG LEU A 82 14.973 3.129 4.114 1.00 43.52 C ATOM 1263 CD1 LEU A 82 14.459 3.233 2.687 1.00 74.21 C ATOM 1264 CD2 LEU A 82 15.815 1.873 4.289 1.00 15.05 C ATOM 0 H LEU A 82 14.616 5.848 6.301 1.00 1.00 H new ATOM 0 HA LEU A 82 16.415 3.509 6.349 1.00 42.01 H new ATOM 0 HB2 LEU A 82 15.204 5.254 4.209 1.00 2.00 H new ATOM 0 HB3 LEU A 82 16.689 4.384 3.879 1.00 2.00 H new ATOM 0 HG LEU A 82 14.115 3.064 4.784 1.00 43.52 H new ATOM 0 HD11 LEU A 82 13.885 2.340 2.441 1.00 74.21 H new ATOM 0 HD12 LEU A 82 13.821 4.112 2.593 1.00 74.21 H new ATOM 0 HD13 LEU A 82 15.302 3.322 2.002 1.00 74.21 H new ATOM 0 HD21 LEU A 82 15.223 0.998 4.021 1.00 15.05 H new ATOM 0 HD22 LEU A 82 16.691 1.930 3.643 1.00 15.05 H new ATOM 0 HD23 LEU A 82 16.134 1.791 5.328 1.00 15.05 H new ATOM 1276 N VAL A 83 17.227 6.685 6.081 1.00 63.34 N ATOM 1277 CA VAL A 83 18.333 7.628 6.199 1.00 53.25 C ATOM 1278 C VAL A 83 18.428 8.189 7.613 1.00 53.32 C ATOM 1279 O VAL A 83 17.605 7.878 8.472 1.00 41.23 O ATOM 1280 CB VAL A 83 18.184 8.794 5.204 1.00 12.34 C ATOM 1281 CG1 VAL A 83 17.841 8.273 3.817 1.00 15.22 C ATOM 1282 CG2 VAL A 83 17.128 9.776 5.690 1.00 1.21 C ATOM 0 H VAL A 83 16.308 7.120 6.001 1.00 63.34 H new ATOM 0 HA VAL A 83 19.245 7.078 5.968 1.00 53.25 H new ATOM 0 HB VAL A 83 19.137 9.320 5.142 1.00 12.34 H new ATOM 0 HG11 VAL A 83 17.740 9.112 3.128 1.00 15.22 H new ATOM 0 HG12 VAL A 83 18.635 7.612 3.470 1.00 15.22 H new ATOM 0 HG13 VAL A 83 16.902 7.721 3.858 1.00 15.22 H new ATOM 0 HG21 VAL A 83 17.035 10.594 4.975 1.00 1.21 H new ATOM 0 HG22 VAL A 83 16.170 9.264 5.782 1.00 1.21 H new ATOM 0 HG23 VAL A 83 17.421 10.174 6.661 1.00 1.21 H new ATOM 1292 N ASN A 84 19.439 9.020 7.847 1.00 14.33 N ATOM 1293 CA ASN A 84 19.642 9.627 9.158 1.00 61.44 C ATOM 1294 C ASN A 84 19.438 11.136 9.097 1.00 53.21 C ATOM 1295 O ASN A 84 19.129 11.689 8.041 1.00 73.32 O ATOM 1296 CB ASN A 84 21.047 9.311 9.676 1.00 40.44 C ATOM 1297 CG ASN A 84 21.977 8.841 8.575 1.00 52.45 C ATOM 1298 OD1 ASN A 84 22.746 9.626 8.018 1.00 4.15 O ATOM 1299 ND2 ASN A 84 21.912 7.554 8.254 1.00 71.15 N ATOM 0 H ASN A 84 20.130 9.288 7.146 1.00 14.33 H new ATOM 0 HA ASN A 84 18.906 9.207 9.843 1.00 61.44 H new ATOM 0 HB2 ASN A 84 21.466 10.200 10.147 1.00 40.44 H new ATOM 0 HB3 ASN A 84 20.983 8.543 10.446 1.00 40.44 H new ATOM 0 HD21 ASN A 84 22.514 7.180 7.520 1.00 71.15 H new ATOM 0 HD22 ASN A 84 21.260 6.939 8.741 1.00 71.15 H new ATOM 1306 N ILE A 85 19.612 11.798 10.236 1.00 43.23 N ATOM 1307 CA ILE A 85 19.448 13.245 10.311 1.00 64.34 C ATOM 1308 C ILE A 85 20.763 13.963 10.027 1.00 41.24 C ATOM 1309 O ILE A 85 21.837 13.475 10.375 1.00 62.22 O ATOM 1310 CB ILE A 85 18.926 13.681 11.693 1.00 43.12 C ATOM 1311 CG1 ILE A 85 17.527 13.112 11.937 1.00 4.03 C ATOM 1312 CG2 ILE A 85 18.913 15.199 11.799 1.00 43.21 C ATOM 1313 CD1 ILE A 85 16.919 13.547 13.252 1.00 41.50 C ATOM 0 H ILE A 85 19.866 11.356 11.119 1.00 43.23 H new ATOM 0 HA ILE A 85 18.716 13.520 9.552 1.00 64.34 H new ATOM 0 HB ILE A 85 19.595 13.288 12.459 1.00 43.12 H new ATOM 0 HG12 ILE A 85 16.871 13.420 11.123 1.00 4.03 H new ATOM 0 HG13 ILE A 85 17.577 12.023 11.911 1.00 4.03 H new ATOM 0 HG21 ILE A 85 18.542 15.492 12.781 1.00 43.21 H new ATOM 0 HG22 ILE A 85 19.925 15.582 11.664 1.00 43.21 H new ATOM 0 HG23 ILE A 85 18.263 15.612 11.027 1.00 43.21 H new ATOM 0 HD11 ILE A 85 15.928 13.106 13.358 1.00 41.50 H new ATOM 0 HD12 ILE A 85 17.554 13.215 14.074 1.00 41.50 H new ATOM 0 HD13 ILE A 85 16.837 14.634 13.273 1.00 41.50 H new ATOM 1325 N GLY A 86 20.671 15.127 9.393 1.00 52.12 N ATOM 1326 CA GLY A 86 21.860 15.896 9.073 1.00 23.23 C ATOM 1327 C GLY A 86 22.558 15.392 7.825 1.00 2.45 C ATOM 1328 O GLY A 86 23.714 15.729 7.574 1.00 44.55 O ATOM 0 H GLY A 86 19.793 15.552 9.095 1.00 52.12 H new ATOM 0 HA2 GLY A 86 21.586 16.942 8.935 1.00 23.23 H new ATOM 0 HA3 GLY A 86 22.552 15.856 9.914 1.00 23.23 H new ATOM 1332 N ASP A 87 21.854 14.582 7.043 1.00 61.04 N ATOM 1333 CA ASP A 87 22.413 14.029 5.814 1.00 53.40 C ATOM 1334 C ASP A 87 21.664 14.553 4.593 1.00 31.21 C ATOM 1335 O ASP A 87 20.440 14.689 4.614 1.00 2.03 O ATOM 1336 CB ASP A 87 22.359 12.502 5.845 1.00 23.52 C ATOM 1337 CG ASP A 87 23.703 11.868 5.542 1.00 2.51 C ATOM 1338 OD1 ASP A 87 24.518 12.509 4.844 1.00 34.32 O ATOM 1339 OD2 ASP A 87 23.941 10.733 6.004 1.00 1.00 O ATOM 0 H ASP A 87 20.895 14.293 7.238 1.00 61.04 H new ATOM 0 HA ASP A 87 23.454 14.345 5.743 1.00 53.40 H new ATOM 0 HB2 ASP A 87 22.019 12.173 6.827 1.00 23.52 H new ATOM 0 HB3 ASP A 87 21.624 12.153 5.120 1.00 23.52 H new ATOM 1344 N TYR A 88 22.405 14.845 3.530 1.00 1.45 N ATOM 1345 CA TYR A 88 21.811 15.358 2.301 1.00 22.52 C ATOM 1346 C TYR A 88 20.942 14.295 1.632 1.00 2.05 C ATOM 1347 O TYR A 88 21.251 13.104 1.680 1.00 50.13 O ATOM 1348 CB TYR A 88 22.903 15.820 1.336 1.00 64.33 C ATOM 1349 CG TYR A 88 22.366 16.393 0.044 1.00 40.33 C ATOM 1350 CD1 TYR A 88 21.968 15.562 -0.995 1.00 33.40 C ATOM 1351 CD2 TYR A 88 22.259 17.767 -0.139 1.00 24.33 C ATOM 1352 CE1 TYR A 88 21.478 16.081 -2.178 1.00 54.24 C ATOM 1353 CE2 TYR A 88 21.768 18.295 -1.317 1.00 24.32 C ATOM 1354 CZ TYR A 88 21.380 17.448 -2.333 1.00 53.00 C ATOM 1355 OH TYR A 88 20.892 17.970 -3.510 1.00 31.31 O ATOM 0 H TYR A 88 23.418 14.735 3.495 1.00 1.45 H new ATOM 0 HA TYR A 88 21.180 16.209 2.559 1.00 22.52 H new ATOM 0 HB2 TYR A 88 23.518 16.573 1.830 1.00 64.33 H new ATOM 0 HB3 TYR A 88 23.554 14.977 1.107 1.00 64.33 H new ATOM 0 HD1 TYR A 88 22.043 14.491 -0.876 1.00 33.40 H new ATOM 0 HD2 TYR A 88 22.565 18.433 0.654 1.00 24.33 H new ATOM 0 HE1 TYR A 88 21.174 15.420 -2.976 1.00 54.24 H new ATOM 0 HE2 TYR A 88 21.689 19.365 -1.441 1.00 24.32 H new ATOM 0 HH TYR A 88 20.887 18.949 -3.457 1.00 31.31 H new ATOM 1365 N VAL A 89 19.855 14.736 1.009 1.00 14.24 N ATOM 1366 CA VAL A 89 18.941 13.826 0.329 1.00 22.05 C ATOM 1367 C VAL A 89 18.187 14.538 -0.788 1.00 75.23 C ATOM 1368 O VAL A 89 18.010 15.755 -0.754 1.00 53.13 O ATOM 1369 CB VAL A 89 17.924 13.214 1.311 1.00 41.33 C ATOM 1370 CG1 VAL A 89 18.542 12.044 2.060 1.00 64.12 C ATOM 1371 CG2 VAL A 89 17.418 14.271 2.281 1.00 34.01 C ATOM 0 H VAL A 89 19.585 15.718 0.961 1.00 14.24 H new ATOM 0 HA VAL A 89 19.548 13.028 -0.098 1.00 22.05 H new ATOM 0 HB VAL A 89 17.074 12.840 0.740 1.00 41.33 H new ATOM 0 HG11 VAL A 89 17.809 11.625 2.749 1.00 64.12 H new ATOM 0 HG12 VAL A 89 18.850 11.278 1.348 1.00 64.12 H new ATOM 0 HG13 VAL A 89 19.411 12.389 2.621 1.00 64.12 H new ATOM 0 HG21 VAL A 89 16.701 13.821 2.967 1.00 34.01 H new ATOM 0 HG22 VAL A 89 18.257 14.677 2.847 1.00 34.01 H new ATOM 0 HG23 VAL A 89 16.934 15.074 1.725 1.00 34.01 H new ATOM 1381 N SER A 90 17.745 13.770 -1.778 1.00 75.43 N ATOM 1382 CA SER A 90 17.011 14.327 -2.910 1.00 43.10 C ATOM 1383 C SER A 90 15.550 14.567 -2.544 1.00 61.33 C ATOM 1384 O SER A 90 15.147 14.379 -1.397 1.00 35.30 O ATOM 1385 CB SER A 90 17.100 13.389 -4.115 1.00 5.03 C ATOM 1386 OG SER A 90 18.219 13.705 -4.926 1.00 70.01 O ATOM 0 H SER A 90 17.882 12.760 -1.820 1.00 75.43 H new ATOM 0 HA SER A 90 17.464 15.284 -3.170 1.00 43.10 H new ATOM 0 HB2 SER A 90 17.175 12.357 -3.772 1.00 5.03 H new ATOM 0 HB3 SER A 90 16.187 13.463 -4.705 1.00 5.03 H new ATOM 0 HG SER A 90 18.255 13.090 -5.688 1.00 70.01 H new ATOM 1392 N ALA A 91 14.762 14.985 -3.529 1.00 75.24 N ATOM 1393 CA ALA A 91 13.344 15.248 -3.314 1.00 2.34 C ATOM 1394 C ALA A 91 12.532 13.958 -3.356 1.00 41.44 C ATOM 1395 O ALA A 91 12.198 13.390 -2.317 1.00 20.20 O ATOM 1396 CB ALA A 91 12.826 16.233 -4.352 1.00 43.55 C ATOM 0 H ALA A 91 15.081 15.149 -4.484 1.00 75.24 H new ATOM 0 HA ALA A 91 13.229 15.686 -2.323 1.00 2.34 H new ATOM 0 HB1 ALA A 91 11.766 16.420 -4.179 1.00 43.55 H new ATOM 0 HB2 ALA A 91 13.377 17.170 -4.272 1.00 43.55 H new ATOM 0 HB3 ALA A 91 12.963 15.816 -5.350 1.00 43.55 H new ATOM 1402 N SER A 92 12.219 13.501 -4.564 1.00 73.23 N ATOM 1403 CA SER A 92 11.442 12.280 -4.741 1.00 31.54 C ATOM 1404 C SER A 92 12.358 11.081 -4.970 1.00 53.43 C ATOM 1405 O SER A 92 11.894 9.962 -5.189 1.00 70.15 O ATOM 1406 CB SER A 92 10.476 12.431 -5.917 1.00 64.14 C ATOM 1407 OG SER A 92 9.867 11.192 -6.240 1.00 4.30 O ATOM 0 H SER A 92 12.491 13.958 -5.434 1.00 73.23 H new ATOM 0 HA SER A 92 10.869 12.108 -3.830 1.00 31.54 H new ATOM 0 HB2 SER A 92 9.708 13.163 -5.669 1.00 64.14 H new ATOM 0 HB3 SER A 92 11.012 12.813 -6.785 1.00 64.14 H new ATOM 0 HG SER A 92 10.208 10.494 -5.643 1.00 4.30 H new ATOM 1413 N THR A 93 13.665 11.325 -4.919 1.00 73.42 N ATOM 1414 CA THR A 93 14.647 10.269 -5.123 1.00 63.32 C ATOM 1415 C THR A 93 15.125 9.698 -3.793 1.00 23.34 C ATOM 1416 O THR A 93 15.737 8.630 -3.746 1.00 61.01 O ATOM 1417 CB THR A 93 15.865 10.779 -5.916 1.00 4.13 C ATOM 1418 OG1 THR A 93 15.489 11.900 -6.724 1.00 33.24 O ATOM 1419 CG2 THR A 93 16.435 9.679 -6.799 1.00 50.40 C ATOM 0 H THR A 93 14.066 12.245 -4.738 1.00 73.42 H new ATOM 0 HA THR A 93 14.152 9.485 -5.696 1.00 63.32 H new ATOM 0 HB THR A 93 16.632 11.086 -5.205 1.00 4.13 H new ATOM 0 HG1 THR A 93 16.269 12.219 -7.224 1.00 33.24 H new ATOM 0 HG21 THR A 93 17.294 10.063 -7.349 1.00 50.40 H new ATOM 0 HG22 THR A 93 16.747 8.839 -6.178 1.00 50.40 H new ATOM 0 HG23 THR A 93 15.673 9.346 -7.503 1.00 50.40 H new ATOM 1427 N THR A 94 14.840 10.416 -2.710 1.00 24.42 N ATOM 1428 CA THR A 94 15.241 9.981 -1.378 1.00 71.31 C ATOM 1429 C THR A 94 14.144 9.154 -0.715 1.00 54.44 C ATOM 1430 O THR A 94 13.061 9.662 -0.427 1.00 41.05 O ATOM 1431 CB THR A 94 15.580 11.181 -0.474 1.00 32.05 C ATOM 1432 OG1 THR A 94 16.237 10.728 0.716 1.00 55.01 O ATOM 1433 CG2 THR A 94 14.322 11.951 -0.102 1.00 41.45 C ATOM 0 H THR A 94 14.333 11.301 -2.730 1.00 24.42 H new ATOM 0 HA THR A 94 16.132 9.365 -1.502 1.00 71.31 H new ATOM 0 HB THR A 94 16.245 11.846 -1.025 1.00 32.05 H new ATOM 0 HG1 THR A 94 17.064 10.260 0.475 1.00 55.01 H new ATOM 0 HG21 THR A 94 14.587 12.794 0.537 1.00 41.45 H new ATOM 0 HG22 THR A 94 13.840 12.319 -1.007 1.00 41.45 H new ATOM 0 HG23 THR A 94 13.637 11.292 0.432 1.00 41.45 H new ATOM 1441 N GLU A 95 14.434 7.879 -0.478 1.00 34.31 N ATOM 1442 CA GLU A 95 13.470 6.982 0.151 1.00 74.14 C ATOM 1443 C GLU A 95 13.819 6.749 1.617 1.00 42.33 C ATOM 1444 O GLU A 95 14.752 6.010 1.935 1.00 14.44 O ATOM 1445 CB GLU A 95 13.422 5.645 -0.593 1.00 3.51 C ATOM 1446 CG GLU A 95 14.790 5.138 -1.019 1.00 4.23 C ATOM 1447 CD GLU A 95 14.822 3.633 -1.204 1.00 54.32 C ATOM 1448 OE1 GLU A 95 14.526 3.167 -2.324 1.00 73.33 O ATOM 1449 OE2 GLU A 95 15.145 2.923 -0.229 1.00 31.54 O ATOM 0 H GLU A 95 15.327 7.444 -0.711 1.00 34.31 H new ATOM 0 HA GLU A 95 12.488 7.453 0.100 1.00 74.14 H new ATOM 0 HB2 GLU A 95 12.950 4.899 0.047 1.00 3.51 H new ATOM 0 HB3 GLU A 95 12.792 5.752 -1.476 1.00 3.51 H new ATOM 0 HG2 GLU A 95 15.078 5.621 -1.952 1.00 4.23 H new ATOM 0 HG3 GLU A 95 15.529 5.424 -0.271 1.00 4.23 H new ATOM 1456 N LEU A 96 13.066 7.385 2.508 1.00 73.32 N ATOM 1457 CA LEU A 96 13.295 7.249 3.941 1.00 22.52 C ATOM 1458 C LEU A 96 12.473 6.099 4.517 1.00 4.30 C ATOM 1459 O LEU A 96 13.022 5.089 4.957 1.00 41.14 O ATOM 1460 CB LEU A 96 12.943 8.552 4.660 1.00 3.13 C ATOM 1461 CG LEU A 96 13.323 9.843 3.933 1.00 33.35 C ATOM 1462 CD1 LEU A 96 14.675 9.694 3.253 1.00 13.43 C ATOM 1463 CD2 LEU A 96 12.252 10.219 2.920 1.00 63.20 C ATOM 0 H LEU A 96 12.291 8.001 2.262 1.00 73.32 H new ATOM 0 HA LEU A 96 14.351 7.030 4.096 1.00 22.52 H new ATOM 0 HB2 LEU A 96 11.868 8.564 4.843 1.00 3.13 H new ATOM 0 HB3 LEU A 96 13.432 8.550 5.634 1.00 3.13 H new ATOM 0 HG LEU A 96 13.396 10.644 4.668 1.00 33.35 H new ATOM 0 HD11 LEU A 96 14.929 10.622 2.741 1.00 13.43 H new ATOM 0 HD12 LEU A 96 15.436 9.472 4.001 1.00 13.43 H new ATOM 0 HD13 LEU A 96 14.630 8.881 2.529 1.00 13.43 H new ATOM 0 HD21 LEU A 96 12.539 11.140 2.412 1.00 63.20 H new ATOM 0 HD22 LEU A 96 12.147 9.418 2.188 1.00 63.20 H new ATOM 0 HD23 LEU A 96 11.302 10.368 3.433 1.00 63.20 H new ATOM 1475 N VAL A 97 11.153 6.260 4.510 1.00 42.52 N ATOM 1476 CA VAL A 97 10.257 5.235 5.028 1.00 34.45 C ATOM 1477 C VAL A 97 9.114 4.962 4.056 1.00 44.12 C ATOM 1478 O VAL A 97 8.819 5.779 3.183 1.00 1.31 O ATOM 1479 CB VAL A 97 9.667 5.642 6.392 1.00 12.42 C ATOM 1480 CG1 VAL A 97 8.579 6.691 6.213 1.00 64.22 C ATOM 1481 CG2 VAL A 97 9.128 4.422 7.125 1.00 45.55 C ATOM 0 H VAL A 97 10.682 7.090 4.151 1.00 42.52 H new ATOM 0 HA VAL A 97 10.851 4.329 5.152 1.00 34.45 H new ATOM 0 HB VAL A 97 10.462 6.078 6.996 1.00 12.42 H new ATOM 0 HG11 VAL A 97 8.175 6.966 7.187 1.00 64.22 H new ATOM 0 HG12 VAL A 97 9.001 7.574 5.733 1.00 64.22 H new ATOM 0 HG13 VAL A 97 7.782 6.286 5.590 1.00 64.22 H new ATOM 0 HG21 VAL A 97 8.715 4.728 8.086 1.00 45.55 H new ATOM 0 HG22 VAL A 97 8.346 3.954 6.527 1.00 45.55 H new ATOM 0 HG23 VAL A 97 9.936 3.709 7.288 1.00 45.55 H new ATOM 1491 N ARG A 98 8.476 3.807 4.211 1.00 34.04 N ATOM 1492 CA ARG A 98 7.366 3.424 3.346 1.00 15.41 C ATOM 1493 C ARG A 98 6.093 3.203 4.159 1.00 4.25 C ATOM 1494 O ARG A 98 6.150 2.905 5.352 1.00 42.04 O ATOM 1495 CB ARG A 98 7.713 2.155 2.567 1.00 40.32 C ATOM 1496 CG ARG A 98 7.164 0.885 3.196 1.00 42.31 C ATOM 1497 CD ARG A 98 8.040 -0.318 2.879 1.00 43.41 C ATOM 1498 NE ARG A 98 7.397 -1.576 3.249 1.00 50.25 N ATOM 1499 CZ ARG A 98 7.263 -1.993 4.503 1.00 52.23 C ATOM 1500 NH1 ARG A 98 7.724 -1.255 5.503 1.00 43.34 N ATOM 1501 NH2 ARG A 98 6.666 -3.150 4.758 1.00 11.32 N ATOM 0 H ARG A 98 8.709 3.120 4.928 1.00 34.04 H new ATOM 0 HA ARG A 98 7.190 4.237 2.642 1.00 15.41 H new ATOM 0 HB2 ARG A 98 7.326 2.245 1.552 1.00 40.32 H new ATOM 0 HB3 ARG A 98 8.797 2.072 2.488 1.00 40.32 H new ATOM 0 HG2 ARG A 98 7.096 1.013 4.276 1.00 42.31 H new ATOM 0 HG3 ARG A 98 6.152 0.706 2.832 1.00 42.31 H new ATOM 0 HD2 ARG A 98 8.270 -0.328 1.814 1.00 43.41 H new ATOM 0 HD3 ARG A 98 8.988 -0.226 3.409 1.00 43.41 H new ATOM 0 HE ARG A 98 7.030 -2.167 2.503 1.00 50.25 H new ATOM 0 HH11 ARG A 98 8.183 -0.365 5.310 1.00 43.34 H new ATOM 0 HH12 ARG A 98 7.620 -1.577 6.465 1.00 43.34 H new ATOM 0 HH21 ARG A 98 6.310 -3.720 3.991 1.00 11.32 H new ATOM 0 HH22 ARG A 98 6.563 -3.470 5.721 1.00 11.32 H new ATOM 1515 N VAL A 99 4.946 3.352 3.506 1.00 55.44 N ATOM 1516 CA VAL A 99 3.660 3.169 4.166 1.00 2.14 C ATOM 1517 C VAL A 99 3.094 1.780 3.892 1.00 4.14 C ATOM 1518 O VAL A 99 3.266 1.231 2.804 1.00 34.54 O ATOM 1519 CB VAL A 99 2.638 4.226 3.709 1.00 73.10 C ATOM 1520 CG1 VAL A 99 1.866 3.732 2.495 1.00 34.34 C ATOM 1521 CG2 VAL A 99 1.691 4.579 4.846 1.00 11.21 C ATOM 0 H VAL A 99 4.881 3.599 2.519 1.00 55.44 H new ATOM 0 HA VAL A 99 3.835 3.283 5.236 1.00 2.14 H new ATOM 0 HB VAL A 99 3.178 5.129 3.424 1.00 73.10 H new ATOM 0 HG11 VAL A 99 1.148 4.492 2.186 1.00 34.34 H new ATOM 0 HG12 VAL A 99 2.560 3.535 1.678 1.00 34.34 H new ATOM 0 HG13 VAL A 99 1.336 2.814 2.750 1.00 34.34 H new ATOM 0 HG21 VAL A 99 0.976 5.327 4.505 1.00 11.21 H new ATOM 0 HG22 VAL A 99 1.156 3.684 5.165 1.00 11.21 H new ATOM 0 HG23 VAL A 99 2.262 4.978 5.684 1.00 11.21 H new ATOM 1531 N THR A 100 2.420 1.215 4.889 1.00 74.41 N ATOM 1532 CA THR A 100 1.829 -0.111 4.757 1.00 32.31 C ATOM 1533 C THR A 100 0.407 -0.137 5.305 1.00 61.12 C ATOM 1534 O THR A 100 -0.044 0.821 5.932 1.00 53.12 O ATOM 1535 CB THR A 100 2.669 -1.175 5.488 1.00 35.13 C ATOM 1536 OG1 THR A 100 2.125 -2.478 5.248 1.00 21.10 O ATOM 1537 CG2 THR A 100 2.703 -0.903 6.984 1.00 12.51 C ATOM 0 H THR A 100 2.270 1.655 5.797 1.00 74.41 H new ATOM 0 HA THR A 100 1.808 -0.343 3.692 1.00 32.31 H new ATOM 0 HB THR A 100 3.688 -1.130 5.103 1.00 35.13 H new ATOM 0 HG1 THR A 100 2.666 -3.149 5.715 1.00 21.10 H new ATOM 0 HG21 THR A 100 3.302 -1.667 7.479 1.00 12.51 H new ATOM 0 HG22 THR A 100 3.143 0.077 7.166 1.00 12.51 H new ATOM 0 HG23 THR A 100 1.688 -0.924 7.381 1.00 12.51 H new ATOM 1545 N ASN A 101 -0.296 -1.240 5.066 1.00 64.05 N ATOM 1546 CA ASN A 101 -1.667 -1.390 5.536 1.00 12.41 C ATOM 1547 C ASN A 101 -2.614 -0.492 4.746 1.00 35.25 C ATOM 1548 O ASN A 101 -2.234 0.089 3.730 1.00 41.52 O ATOM 1549 CB ASN A 101 -1.756 -1.058 7.027 1.00 43.00 C ATOM 1550 CG ASN A 101 -2.575 -2.075 7.798 1.00 21.15 C ATOM 1551 OD1 ASN A 101 -2.225 -3.254 7.858 1.00 41.35 O ATOM 1552 ND2 ASN A 101 -3.672 -1.622 8.394 1.00 11.12 N ATOM 0 H ASN A 101 0.062 -2.043 4.549 1.00 64.05 H new ATOM 0 HA ASN A 101 -1.966 -2.427 5.383 1.00 12.41 H new ATOM 0 HB2 ASN A 101 -0.751 -1.011 7.447 1.00 43.00 H new ATOM 0 HB3 ASN A 101 -2.199 -0.070 7.151 1.00 43.00 H new ATOM 0 HD21 ASN A 101 -4.263 -2.260 8.928 1.00 11.12 H new ATOM 0 HD22 ASN A 101 -3.924 -0.637 8.318 1.00 11.12 H new ATOM 1559 N LEU A 102 -3.850 -0.383 5.221 1.00 12.02 N ATOM 1560 CA LEU A 102 -4.854 0.445 4.560 1.00 45.20 C ATOM 1561 C LEU A 102 -5.181 -0.099 3.173 1.00 21.35 C ATOM 1562 O LEU A 102 -4.757 -1.196 2.810 1.00 34.34 O ATOM 1563 CB LEU A 102 -4.360 1.889 4.450 1.00 34.22 C ATOM 1564 CG LEU A 102 -5.371 2.973 4.822 1.00 1.53 C ATOM 1565 CD1 LEU A 102 -4.983 3.638 6.134 1.00 42.12 C ATOM 1566 CD2 LEU A 102 -5.478 4.007 3.709 1.00 25.32 C ATOM 0 H LEU A 102 -4.181 -0.857 6.061 1.00 12.02 H new ATOM 0 HA LEU A 102 -5.762 0.422 5.162 1.00 45.20 H new ATOM 0 HB2 LEU A 102 -3.484 2.002 5.089 1.00 34.22 H new ATOM 0 HB3 LEU A 102 -4.031 2.063 3.425 1.00 34.22 H new ATOM 0 HG LEU A 102 -6.347 2.504 4.951 1.00 1.53 H new ATOM 0 HD11 LEU A 102 -5.714 4.407 6.382 1.00 42.12 H new ATOM 0 HD12 LEU A 102 -4.958 2.891 6.927 1.00 42.12 H new ATOM 0 HD13 LEU A 102 -3.998 4.093 6.034 1.00 42.12 H new ATOM 0 HD21 LEU A 102 -6.202 4.771 3.991 1.00 25.32 H new ATOM 0 HD22 LEU A 102 -4.505 4.471 3.549 1.00 25.32 H new ATOM 0 HD23 LEU A 102 -5.804 3.520 2.790 1.00 25.32 H new ATOM 1578 N ASN A 103 -5.937 0.675 2.403 1.00 11.42 N ATOM 1579 CA ASN A 103 -6.320 0.272 1.055 1.00 34.33 C ATOM 1580 C ASN A 103 -5.593 1.110 0.008 1.00 2.23 C ATOM 1581 O ASN A 103 -5.215 2.257 0.249 1.00 61.54 O ATOM 1582 CB ASN A 103 -7.834 0.405 0.870 1.00 4.22 C ATOM 1583 CG ASN A 103 -8.605 -0.645 1.646 1.00 54.22 C ATOM 1584 OD1 ASN A 103 -8.370 -1.844 1.491 1.00 33.42 O ATOM 1585 ND2 ASN A 103 -9.533 -0.199 2.485 1.00 22.10 N ATOM 0 H ASN A 103 -6.297 1.585 2.689 1.00 11.42 H new ATOM 0 HA ASN A 103 -6.035 -0.771 0.921 1.00 34.33 H new ATOM 0 HB2 ASN A 103 -8.151 1.397 1.192 1.00 4.22 H new ATOM 0 HB3 ASN A 103 -8.077 0.321 -0.189 1.00 4.22 H new ATOM 0 HD21 ASN A 103 -10.085 -0.859 3.033 1.00 22.10 H new ATOM 0 HD22 ASN A 103 -9.694 0.804 2.581 1.00 22.10 H new ATOM 1592 N PRO A 104 -5.394 0.527 -1.183 1.00 45.30 N ATOM 1593 CA PRO A 104 -4.712 1.203 -2.291 1.00 73.23 C ATOM 1594 C PRO A 104 -5.543 2.339 -2.877 1.00 12.13 C ATOM 1595 O PRO A 104 -6.669 2.584 -2.443 1.00 1.24 O ATOM 1596 CB PRO A 104 -4.524 0.089 -3.325 1.00 33.34 C ATOM 1597 CG PRO A 104 -5.609 -0.888 -3.028 1.00 72.33 C ATOM 1598 CD PRO A 104 -5.819 -0.837 -1.540 1.00 44.34 C ATOM 0 HA PRO A 104 -3.780 1.669 -1.972 1.00 73.23 H new ATOM 0 HB2 PRO A 104 -4.605 0.474 -4.341 1.00 33.34 H new ATOM 0 HB3 PRO A 104 -3.540 -0.372 -3.236 1.00 33.34 H new ATOM 0 HG2 PRO A 104 -6.524 -0.628 -3.560 1.00 72.33 H new ATOM 0 HG3 PRO A 104 -5.328 -1.891 -3.348 1.00 72.33 H new ATOM 0 HD2 PRO A 104 -6.861 -1.016 -1.275 1.00 44.34 H new ATOM 0 HD3 PRO A 104 -5.225 -1.591 -1.024 1.00 44.34 H new ATOM 1606 N ILE A 105 -4.982 3.028 -3.865 1.00 34.31 N ATOM 1607 CA ILE A 105 -5.674 4.137 -4.510 1.00 60.32 C ATOM 1608 C ILE A 105 -5.369 4.180 -6.004 1.00 23.24 C ATOM 1609 O ILE A 105 -4.249 3.895 -6.428 1.00 42.44 O ATOM 1610 CB ILE A 105 -5.284 5.487 -3.879 1.00 34.41 C ATOM 1611 CG1 ILE A 105 -5.511 5.452 -2.366 1.00 53.12 C ATOM 1612 CG2 ILE A 105 -6.082 6.618 -4.514 1.00 22.33 C ATOM 1613 CD1 ILE A 105 -6.972 5.407 -1.975 1.00 61.05 C ATOM 0 H ILE A 105 -4.051 2.838 -4.236 1.00 34.31 H new ATOM 0 HA ILE A 105 -6.741 3.972 -4.364 1.00 60.32 H new ATOM 0 HB ILE A 105 -4.225 5.666 -4.064 1.00 34.41 H new ATOM 0 HG12 ILE A 105 -5.005 4.580 -1.951 1.00 53.12 H new ATOM 0 HG13 ILE A 105 -5.050 6.332 -1.917 1.00 53.12 H new ATOM 0 HG21 ILE A 105 -5.796 7.566 -4.058 1.00 22.33 H new ATOM 0 HG22 ILE A 105 -5.876 6.653 -5.584 1.00 22.33 H new ATOM 0 HG23 ILE A 105 -7.147 6.446 -4.355 1.00 22.33 H new ATOM 0 HD11 ILE A 105 -7.057 5.384 -0.889 1.00 61.05 H new ATOM 0 HD12 ILE A 105 -7.479 6.292 -2.360 1.00 61.05 H new ATOM 0 HD13 ILE A 105 -7.433 4.513 -2.394 1.00 61.05 H new ATOM 1625 N TYR A 106 -6.372 4.538 -6.797 1.00 32.15 N ATOM 1626 CA TYR A 106 -6.213 4.618 -8.244 1.00 30.11 C ATOM 1627 C TYR A 106 -7.386 5.357 -8.882 1.00 3.31 C ATOM 1628 O TYR A 106 -7.772 5.070 -10.014 1.00 21.30 O ATOM 1629 CB TYR A 106 -6.092 3.216 -8.842 1.00 73.15 C ATOM 1630 CG TYR A 106 -7.063 2.219 -8.251 1.00 54.42 C ATOM 1631 CD1 TYR A 106 -6.741 1.502 -7.105 1.00 55.33 C ATOM 1632 CD2 TYR A 106 -8.302 1.994 -8.839 1.00 62.43 C ATOM 1633 CE1 TYR A 106 -7.625 0.590 -6.562 1.00 60.13 C ATOM 1634 CE2 TYR A 106 -9.192 1.084 -8.302 1.00 13.42 C ATOM 1635 CZ TYR A 106 -8.849 0.385 -7.163 1.00 52.34 C ATOM 1636 OH TYR A 106 -9.732 -0.523 -6.626 1.00 33.22 O ATOM 0 H TYR A 106 -7.305 4.778 -6.462 1.00 32.15 H new ATOM 0 HA TYR A 106 -5.300 5.175 -8.454 1.00 30.11 H new ATOM 0 HB2 TYR A 106 -6.254 3.274 -9.918 1.00 73.15 H new ATOM 0 HB3 TYR A 106 -5.075 2.853 -8.692 1.00 73.15 H new ATOM 0 HD1 TYR A 106 -5.784 1.660 -6.631 1.00 55.33 H new ATOM 0 HD2 TYR A 106 -8.574 2.540 -9.731 1.00 62.43 H new ATOM 0 HE1 TYR A 106 -7.359 0.040 -5.671 1.00 60.13 H new ATOM 0 HE2 TYR A 106 -10.151 0.921 -8.771 1.00 13.42 H new ATOM 0 HH TYR A 106 -10.548 -0.547 -7.169 1.00 33.22 H new ATOM 1646 N ALA A 107 -7.948 6.310 -8.145 1.00 45.24 N ATOM 1647 CA ALA A 107 -9.073 7.092 -8.638 1.00 13.12 C ATOM 1648 C ALA A 107 -9.501 8.143 -7.618 1.00 73.42 C ATOM 1649 O ALA A 107 -9.271 7.987 -6.420 1.00 24.22 O ATOM 1650 CB ALA A 107 -10.242 6.179 -8.980 1.00 5.25 C ATOM 0 H ALA A 107 -7.642 6.558 -7.204 1.00 45.24 H new ATOM 0 HA ALA A 107 -8.754 7.610 -9.542 1.00 13.12 H new ATOM 0 HB1 ALA A 107 -11.076 6.777 -9.347 1.00 5.25 H new ATOM 0 HB2 ALA A 107 -9.937 5.470 -9.750 1.00 5.25 H new ATOM 0 HB3 ALA A 107 -10.551 5.634 -8.088 1.00 5.25 H new ATOM 1656 N ASP A 108 -10.123 9.211 -8.103 1.00 10.34 N ATOM 1657 CA ASP A 108 -10.583 10.288 -7.233 1.00 51.03 C ATOM 1658 C ASP A 108 -9.447 10.796 -6.350 1.00 74.14 C ATOM 1659 O ASP A 108 -9.477 10.638 -5.131 1.00 11.21 O ATOM 1660 CB ASP A 108 -11.746 9.807 -6.363 1.00 14.31 C ATOM 1661 CG ASP A 108 -12.306 10.911 -5.487 1.00 33.55 C ATOM 1662 OD1 ASP A 108 -12.067 12.095 -5.797 1.00 52.13 O ATOM 1663 OD2 ASP A 108 -12.985 10.587 -4.488 1.00 52.43 O ATOM 0 H ASP A 108 -10.321 9.355 -9.093 1.00 10.34 H new ATOM 0 HA ASP A 108 -10.925 11.110 -7.862 1.00 51.03 H new ATOM 0 HB2 ASP A 108 -12.538 9.417 -7.003 1.00 14.31 H new ATOM 0 HB3 ASP A 108 -11.409 8.983 -5.734 1.00 14.31 H new ATOM 1668 N GLY A 109 -8.445 11.406 -6.977 1.00 0.24 N ATOM 1669 CA GLY A 109 -7.314 11.928 -6.232 1.00 65.54 C ATOM 1670 C GLY A 109 -7.649 13.201 -5.483 1.00 44.40 C ATOM 1671 O GLY A 109 -8.651 13.265 -4.772 1.00 14.45 O ATOM 0 H GLY A 109 -8.397 11.548 -7.986 1.00 0.24 H new ATOM 0 HA2 GLY A 109 -6.970 11.174 -5.524 1.00 65.54 H new ATOM 0 HA3 GLY A 109 -6.489 12.121 -6.918 1.00 65.54 H new ATOM 1675 N SER A 110 -6.807 14.218 -5.641 1.00 10.22 N ATOM 1676 CA SER A 110 -7.016 15.495 -4.969 1.00 73.43 C ATOM 1677 C SER A 110 -8.134 16.286 -5.642 1.00 44.43 C ATOM 1678 O SER A 110 -8.814 17.088 -5.002 1.00 53.51 O ATOM 1679 CB SER A 110 -5.724 16.314 -4.971 1.00 20.21 C ATOM 1680 OG SER A 110 -5.921 17.579 -4.364 1.00 15.22 O ATOM 0 H SER A 110 -5.974 14.182 -6.228 1.00 10.22 H new ATOM 0 HA SER A 110 -7.307 15.292 -3.938 1.00 73.43 H new ATOM 0 HB2 SER A 110 -4.944 15.770 -4.439 1.00 20.21 H new ATOM 0 HB3 SER A 110 -5.377 16.449 -5.995 1.00 20.21 H new ATOM 0 HG SER A 110 -5.080 18.082 -4.376 1.00 15.22 H new ATOM 1686 N HIS A 111 -8.317 16.054 -6.937 1.00 51.44 N ATOM 1687 CA HIS A 111 -9.352 16.745 -7.699 1.00 73.53 C ATOM 1688 C HIS A 111 -10.508 15.802 -8.022 1.00 53.51 C ATOM 1689 O HIS A 111 -10.409 14.591 -7.824 1.00 64.13 O ATOM 1690 CB HIS A 111 -8.769 17.316 -8.992 1.00 4.50 C ATOM 1691 CG HIS A 111 -8.464 16.274 -10.023 1.00 50.34 C ATOM 1692 ND1 HIS A 111 -9.386 15.844 -10.953 1.00 73.14 N ATOM 1693 CD2 HIS A 111 -7.329 15.578 -10.270 1.00 32.34 C ATOM 1694 CE1 HIS A 111 -8.833 14.926 -11.726 1.00 43.41 C ATOM 1695 NE2 HIS A 111 -7.585 14.747 -11.333 1.00 23.53 N ATOM 0 H HIS A 111 -7.763 15.393 -7.481 1.00 51.44 H new ATOM 0 HA HIS A 111 -9.732 17.564 -7.089 1.00 73.53 H new ATOM 0 HB2 HIS A 111 -9.472 18.035 -9.411 1.00 4.50 H new ATOM 0 HB3 HIS A 111 -7.855 17.863 -8.759 1.00 4.50 H new ATOM 0 HD1 HIS A 111 -10.345 16.182 -11.032 1.00 73.14 H new ATOM 0 HD2 HIS A 111 -6.396 15.661 -9.732 1.00 32.34 H new ATOM 0 HE1 HIS A 111 -9.319 14.410 -12.541 1.00 43.41 H new ATOM 1703 N HIS A 112 -11.604 16.366 -8.519 1.00 52.51 N ATOM 1704 CA HIS A 112 -12.779 15.577 -8.870 1.00 1.11 C ATOM 1705 C HIS A 112 -12.792 15.253 -10.361 1.00 12.02 C ATOM 1706 O HIS A 112 -12.189 15.965 -11.166 1.00 30.23 O ATOM 1707 CB HIS A 112 -14.056 16.326 -8.487 1.00 53.53 C ATOM 1708 CG HIS A 112 -14.663 15.858 -7.201 1.00 31.13 C ATOM 1709 ND1 HIS A 112 -14.020 15.956 -5.985 1.00 33.22 N ATOM 1710 CD2 HIS A 112 -15.863 15.287 -6.945 1.00 34.31 C ATOM 1711 CE1 HIS A 112 -14.798 15.464 -5.037 1.00 65.12 C ATOM 1712 NE2 HIS A 112 -15.922 15.051 -5.593 1.00 12.40 N ATOM 0 H HIS A 112 -11.703 17.367 -8.688 1.00 52.51 H new ATOM 0 HA HIS A 112 -12.736 14.640 -8.314 1.00 1.11 H new ATOM 0 HB2 HIS A 112 -13.833 17.390 -8.408 1.00 53.53 H new ATOM 0 HB3 HIS A 112 -14.788 16.212 -9.287 1.00 53.53 H new ATOM 0 HD2 HIS A 112 -16.631 15.059 -7.669 1.00 34.31 H new ATOM 0 HE1 HIS A 112 -14.556 15.409 -3.986 1.00 65.12 H new ATOM 0 HE2 HIS A 112 -16.707 14.626 -5.099 1.00 12.40 H new ATOM 1720 N HIS A 113 -13.481 14.175 -10.721 1.00 51.32 N ATOM 1721 CA HIS A 113 -13.572 13.758 -12.116 1.00 51.02 C ATOM 1722 C HIS A 113 -14.243 14.835 -12.963 1.00 71.15 C ATOM 1723 O HIS A 113 -15.193 15.483 -12.523 1.00 34.31 O ATOM 1724 CB HIS A 113 -14.350 12.446 -12.228 1.00 43.10 C ATOM 1725 CG HIS A 113 -15.822 12.602 -12.001 1.00 24.42 C ATOM 1726 ND1 HIS A 113 -16.349 13.254 -10.906 1.00 53.13 N ATOM 1727 CD2 HIS A 113 -16.880 12.185 -12.735 1.00 31.33 C ATOM 1728 CE1 HIS A 113 -17.669 13.231 -10.977 1.00 5.11 C ATOM 1729 NE2 HIS A 113 -18.016 12.589 -12.077 1.00 21.44 N ATOM 0 H HIS A 113 -13.984 13.575 -10.067 1.00 51.32 H new ATOM 0 HA HIS A 113 -12.560 13.605 -12.490 1.00 51.02 H new ATOM 0 HB2 HIS A 113 -14.186 12.019 -13.218 1.00 43.10 H new ATOM 0 HB3 HIS A 113 -13.952 11.734 -11.504 1.00 43.10 H new ATOM 0 HD2 HIS A 113 -16.839 11.637 -13.665 1.00 31.33 H new ATOM 0 HE1 HIS A 113 -18.348 13.664 -10.257 1.00 5.11 H new ATOM 0 HE2 HIS A 113 -18.973 12.420 -12.388 1.00 21.44 H new ATOM 1737 N HIS A 114 -13.742 15.021 -14.181 1.00 12.35 N ATOM 1738 CA HIS A 114 -14.294 16.020 -15.090 1.00 5.03 C ATOM 1739 C HIS A 114 -13.695 15.875 -16.485 1.00 60.13 C ATOM 1740 O HIS A 114 -12.487 16.024 -16.672 1.00 11.24 O ATOM 1741 CB HIS A 114 -14.032 17.428 -14.553 1.00 61.03 C ATOM 1742 CG HIS A 114 -15.259 18.284 -14.492 1.00 40.02 C ATOM 1743 ND1 HIS A 114 -15.519 19.155 -13.455 1.00 45.24 N ATOM 1744 CD2 HIS A 114 -16.302 18.400 -15.348 1.00 65.24 C ATOM 1745 CE1 HIS A 114 -16.667 19.769 -13.676 1.00 32.35 C ATOM 1746 NE2 HIS A 114 -17.162 19.329 -14.818 1.00 52.23 N ATOM 0 H HIS A 114 -12.956 14.494 -14.561 1.00 12.35 H new ATOM 0 HA HIS A 114 -15.370 15.859 -15.158 1.00 5.03 H new ATOM 0 HB2 HIS A 114 -13.602 17.353 -13.554 1.00 61.03 H new ATOM 0 HB3 HIS A 114 -13.289 17.916 -15.184 1.00 61.03 H new ATOM 0 HD2 HIS A 114 -16.433 17.862 -16.275 1.00 65.24 H new ATOM 0 HE1 HIS A 114 -17.123 20.506 -13.032 1.00 32.35 H new ATOM 0 HE2 HIS A 114 -18.041 19.631 -15.238 1.00 52.23 H new ATOM 1754 N HIS A 115 -14.548 15.580 -17.462 1.00 2.51 N ATOM 1755 CA HIS A 115 -14.102 15.414 -18.841 1.00 33.11 C ATOM 1756 C HIS A 115 -13.372 16.661 -19.330 1.00 25.22 C ATOM 1757 O HIS A 115 -13.360 17.691 -18.655 1.00 35.54 O ATOM 1758 CB HIS A 115 -15.293 15.115 -19.752 1.00 13.34 C ATOM 1759 CG HIS A 115 -16.293 16.229 -19.813 1.00 12.12 C ATOM 1760 ND1 HIS A 115 -17.367 16.324 -18.954 1.00 2.25 N ATOM 1761 CD2 HIS A 115 -16.377 17.299 -20.638 1.00 73.30 C ATOM 1762 CE1 HIS A 115 -18.069 17.405 -19.247 1.00 71.52 C ATOM 1763 NE2 HIS A 115 -17.489 18.013 -20.266 1.00 75.25 N ATOM 0 H HIS A 115 -15.550 15.451 -17.324 1.00 2.51 H new ATOM 0 HA HIS A 115 -13.409 14.573 -18.874 1.00 33.11 H new ATOM 0 HB2 HIS A 115 -14.928 14.909 -20.758 1.00 13.34 H new ATOM 0 HB3 HIS A 115 -15.790 14.210 -19.402 1.00 13.34 H new ATOM 0 HD2 HIS A 115 -15.696 17.545 -21.439 1.00 73.30 H new ATOM 0 HE1 HIS A 115 -18.964 17.735 -18.740 1.00 71.52 H new ATOM 0 HE2 HIS A 115 -17.815 18.874 -20.706 1.00 75.25 H new ATOM 1771 N HIS A 116 -12.764 16.561 -20.508 1.00 4.35 N ATOM 1772 CA HIS A 116 -12.031 17.681 -21.087 1.00 75.13 C ATOM 1773 C HIS A 116 -11.840 17.487 -22.588 1.00 3.51 C ATOM 1774 O HIS A 116 -12.824 17.485 -23.325 1.00 70.34 O ATOM 1775 CB HIS A 116 -10.672 17.838 -20.404 1.00 23.33 C ATOM 1776 CG HIS A 116 -10.287 19.263 -20.156 1.00 4.53 C ATOM 1777 ND1 HIS A 116 -11.144 20.189 -19.597 1.00 62.30 N ATOM 1778 CD2 HIS A 116 -9.128 19.921 -20.393 1.00 2.43 C ATOM 1779 CE1 HIS A 116 -10.529 21.354 -19.502 1.00 73.35 C ATOM 1780 NE2 HIS A 116 -9.305 21.219 -19.978 1.00 43.35 N ATOM 0 H HIS A 116 -12.765 15.716 -21.080 1.00 4.35 H new ATOM 0 HA HIS A 116 -12.616 18.587 -20.927 1.00 75.13 H new ATOM 0 HB2 HIS A 116 -10.688 17.304 -19.454 1.00 23.33 H new ATOM 0 HB3 HIS A 116 -9.908 17.366 -21.021 1.00 23.33 H new ATOM 0 HD2 HIS A 116 -8.231 19.504 -20.827 1.00 2.43 H new ATOM 0 HE1 HIS A 116 -10.955 22.263 -19.103 1.00 73.35 H new ATOM 0 HE2 HIS A 116 -8.604 21.958 -20.029 1.00 43.35 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 23.378 29.982 8.779 1.00 52.13 C HETATM 1790 N2 B6D A 117 24.433 27.796 8.381 1.00 32.32 N HETATM 1791 C3 B6D A 117 23.749 28.403 10.706 1.00 30.21 C HETATM 1792 C4 B6D A 117 23.637 29.590 11.681 1.00 22.41 C HETATM 1793 C5 B6D A 117 22.760 30.710 11.086 1.00 12.55 C HETATM 1794 C6 B6D A 117 22.753 31.995 11.913 1.00 20.32 C HETATM 1795 C7 B6D A 117 23.395 27.277 7.641 1.00 45.15 C HETATM 1796 C8 B6D A 117 23.801 26.314 6.498 1.00 74.54 C HETATM 1797 C9 B6D A 117 21.386 28.488 14.623 1.00 54.22 C HETATM 1798 C2 B6D A 117 24.307 28.894 9.350 1.00 70.42 C HETATM 1799 O7 B6D A 117 22.225 27.554 7.828 1.00 62.01 O HETATM 1800 N4 B6D A 117 23.084 29.150 12.970 1.00 13.21 N HETATM 1801 C10 B6D A 117 21.777 28.776 13.161 1.00 41.22 C HETATM 1802 O10 B6D A 117 20.967 28.651 12.258 1.00 12.12 O HETATM 1803 O5 B6D A 117 23.284 31.088 9.752 1.00 4.22 O HETATM 1804 O3 B6D A 117 24.669 27.407 11.285 1.00 61.53 O HETATM 0 HN4 B6D A 117 23.711 29.121 13.774 1.00 13.21 H new HETATM 0 HN2 B6D A 117 25.358 27.388 8.247 1.00 32.32 H new HETATM 0 H9B B6D A 117 22.001 27.676 15.011 1.00 54.22 H new HETATM 0 H9A B6D A 117 21.544 29.383 15.225 1.00 54.22 H new HETATM 0 H9 B6D A 117 20.335 28.201 14.669 1.00 54.22 H new HETATM 0 H8B B6D A 117 24.446 26.838 5.793 1.00 74.54 H new HETATM 0 H8A B6D A 117 24.336 25.460 6.914 1.00 74.54 H new HETATM 0 H8 B6D A 117 22.907 25.965 5.981 1.00 74.54 H new HETATM 0 H6B B6D A 117 22.372 31.783 12.912 1.00 20.32 H new HETATM 0 H6A B6D A 117 23.768 32.385 11.988 1.00 20.32 H new HETATM 0 H6 B6D A 117 22.114 32.735 11.430 1.00 20.32 H new HETATM 0 H5 B6D A 117 21.749 30.303 11.056 1.00 12.55 H new HETATM 0 H4 B6D A 117 24.640 29.985 11.844 1.00 22.41 H new HETATM 0 H3 B6D A 117 22.767 27.959 10.546 1.00 30.21 H new HETATM 0 H2 B6D A 117 25.303 29.300 9.524 1.00 70.42 H new HETATM 1821 C1 A2G A 118 24.026 26.175 11.811 1.00 72.21 C HETATM 1822 C2 A2G A 118 25.011 25.448 12.741 1.00 15.14 C HETATM 1823 C3 A2G A 118 26.271 25.095 11.928 1.00 33.21 C HETATM 1824 C4 A2G A 118 25.899 24.124 10.723 1.00 11.15 C HETATM 1825 C5 A2G A 118 24.781 24.730 9.901 1.00 42.11 C HETATM 1826 C6 A2G A 118 24.246 23.888 8.735 1.00 73.01 C HETATM 1827 C7 A2G A 118 24.490 26.256 15.049 1.00 25.43 C HETATM 1828 C8 A2G A 118 24.977 27.130 16.220 1.00 60.01 C HETATM 1829 O A2G A 118 23.652 25.230 10.733 1.00 52.03 O HETATM 1830 O3 A2G A 118 27.281 24.529 12.769 1.00 42.55 O HETATM 1831 O4 A2G A 118 25.418 22.850 11.287 1.00 24.43 O HETATM 1832 O6 A2G A 118 22.897 24.254 8.423 1.00 52.21 O HETATM 1833 O7 A2G A 118 23.461 25.606 15.143 1.00 42.34 O HETATM 1834 N2 A2G A 118 25.297 26.251 13.938 1.00 54.42 N HETATM 0 HO3 A2G A 118 28.071 24.311 12.231 1.00 42.55 H new HETATM 0 HN2 A2G A 118 26.135 26.832 13.944 1.00 54.42 H new HETATM 0 H8B A2G A 118 25.954 26.781 16.553 1.00 60.01 H new HETATM 0 H8A A2G A 118 25.054 28.167 15.893 1.00 60.01 H new HETATM 0 H8 A2G A 118 24.267 27.062 17.045 1.00 60.01 H new HETATM 0 H6 A2G A 118 24.290 22.830 8.994 1.00 73.01 H new HETATM 0 H5 A2G A 118 25.288 25.573 9.431 1.00 42.11 H new HETATM 0 H4 A2G A 118 26.775 23.970 10.093 1.00 11.15 H new HETATM 0 H3 A2G A 118 26.680 26.012 11.505 1.00 33.21 H new HETATM 0 H2 A2G A 118 24.575 24.521 13.114 1.00 15.14 H new HETATM 0 H15 A2G A 118 22.541 24.827 9.134 1.00 52.21 H new HETATM 0 H14 A2G A 118 24.878 24.029 7.858 1.00 73.01 H new HETATM 1848 C1 A2G A 119 25.903 21.626 10.600 1.00 61.14 C HETATM 1849 C2 A2G A 119 24.891 20.490 10.813 1.00 22.41 C HETATM 1850 C3 A2G A 119 24.757 20.242 12.328 1.00 31.21 C HETATM 1851 C4 A2G A 119 26.156 19.798 12.943 1.00 73.32 C HETATM 1852 C5 A2G A 119 27.223 20.805 12.572 1.00 43.13 C HETATM 1853 C6 A2G A 119 28.657 20.493 13.024 1.00 53.10 C HETATM 1854 C7 A2G A 119 22.859 19.848 9.504 1.00 11.43 C HETATM 1855 C8 A2G A 119 21.594 20.376 8.802 1.00 20.52 C HETATM 1856 O A2G A 119 27.209 21.163 11.127 1.00 52.33 O HETATM 1857 O3 A2G A 119 23.731 19.282 12.602 1.00 12.45 O HETATM 1858 O4 A2G A 119 26.526 18.497 12.357 1.00 62.03 O HETATM 1859 O6 A2G A 119 29.447 21.687 13.066 1.00 72.54 O HETATM 1860 O7 A2G A 119 23.137 18.661 9.481 1.00 53.01 O HETATM 1861 N2 A2G A 119 23.611 20.794 10.159 1.00 4.45 N HETATM 0 HO3 A2G A 119 23.666 19.140 13.569 1.00 12.45 H new HETATM 0 HN2 A2G A 119 23.264 21.753 10.193 1.00 4.45 H new HETATM 0 H8B A2G A 119 20.935 20.837 9.538 1.00 20.52 H new HETATM 0 H8A A2G A 119 21.876 21.117 8.053 1.00 20.52 H new HETATM 0 H8 A2G A 119 21.075 19.549 8.317 1.00 20.52 H new HETATM 0 H6 A2G A 119 29.111 19.775 12.341 1.00 53.10 H new HETATM 0 H5 A2G A 119 26.921 21.669 13.165 1.00 43.13 H new HETATM 0 H4 A2G A 119 26.075 19.733 14.028 1.00 73.32 H new HETATM 0 H3 A2G A 119 24.462 21.175 12.808 1.00 31.21 H new HETATM 0 H2 A2G A 119 25.242 19.570 10.345 1.00 22.41 H new HETATM 0 H15 A2G A 119 30.356 21.467 13.358 1.00 72.54 H new HETATM 0 H14 A2G A 119 28.640 20.028 14.010 1.00 53.10 H new HETATM 1875 C1 A2G A 120 27.002 17.474 13.325 1.00 50.33 C HETATM 1876 C2 A2G A 120 27.978 16.522 12.616 1.00 5.53 C HETATM 1877 C3 A2G A 120 27.234 15.853 11.445 1.00 43.34 C HETATM 1878 C4 A2G A 120 26.001 15.006 11.983 1.00 24.33 C HETATM 1879 C5 A2G A 120 25.122 15.875 12.857 1.00 4.35 C HETATM 1880 C6 A2G A 120 23.918 15.196 13.525 1.00 64.03 C HETATM 1881 C7 A2G A 120 30.171 17.628 13.086 1.00 22.11 C HETATM 1882 C8 A2G A 120 31.401 18.309 12.457 1.00 53.22 C HETATM 1883 O A2G A 120 25.895 16.653 13.867 1.00 35.44 O HETATM 1884 O3 A2G A 120 28.125 15.050 10.664 1.00 25.51 O HETATM 1885 O4 A2G A 120 26.522 13.901 12.809 1.00 31.41 O HETATM 1886 O6 A2G A 120 22.745 16.008 13.401 1.00 63.30 O HETATM 1887 O7 A2G A 120 30.106 17.450 14.291 1.00 31.44 O HETATM 1888 N2 A2G A 120 29.198 17.230 12.203 1.00 73.11 N HETATM 0 HN2 A2G A 120 29.328 17.436 11.212 1.00 73.11 H new HETATM 0 H8B A2G A 120 31.881 17.621 11.761 1.00 53.22 H new HETATM 0 H8A A2G A 120 31.087 19.206 11.923 1.00 53.22 H new HETATM 0 H8 A2G A 120 32.106 18.583 13.242 1.00 53.22 H new HETATM 0 H6 A2G A 120 24.133 15.018 14.579 1.00 64.03 H new HETATM 0 H5 A2G A 120 24.690 16.554 12.122 1.00 4.35 H new HETATM 0 H4 A2G A 120 25.422 14.629 11.140 1.00 24.33 H new HETATM 0 H3 A2G A 120 26.844 16.633 10.791 1.00 43.34 H new HETATM 0 H2 A2G A 120 28.316 15.740 13.296 1.00 5.53 H new HETATM 0 H15 A2G A 120 21.988 15.558 13.831 1.00 63.30 H new HETATM 0 H14 A2G A 120 23.743 14.223 13.066 1.00 64.03 H new HETATM 1901 C1 A2G A 121 25.835 12.595 12.632 1.00 42.22 C HETATM 1902 C2 A2G A 121 25.737 11.887 13.992 1.00 12.04 C HETATM 1903 C3 A2G A 121 27.165 11.678 14.532 1.00 11.20 C HETATM 1904 C4 A2G A 121 28.003 10.759 13.541 1.00 23.50 C HETATM 1905 C5 A2G A 121 27.948 11.329 12.140 1.00 43.42 C HETATM 1906 C6 A2G A 121 28.647 10.524 11.036 1.00 62.22 C HETATM 1907 C7 A2G A 121 23.612 12.213 15.270 1.00 24.50 C HETATM 1908 C8 A2G A 121 22.815 13.181 16.163 1.00 4.34 C HETATM 1909 O A2G A 121 26.568 11.692 11.712 1.00 12.51 O HETATM 1910 O3 A2G A 121 27.138 11.139 15.858 1.00 71.52 O HETATM 1911 O4 A2G A 121 27.386 9.420 13.518 1.00 14.23 O HETATM 1912 O6 A2G A 121 30.047 10.824 10.999 1.00 74.44 O HETATM 1913 O7 A2G A 121 23.139 11.139 14.937 1.00 74.20 O HETATM 1914 N2 A2G A 121 24.870 12.634 14.914 1.00 22.01 N HETATM 0 HO3 A2G A 121 28.055 11.013 16.179 1.00 71.52 H new HETATM 0 HN2 A2G A 121 25.219 13.507 15.309 1.00 22.01 H new HETATM 0 H8B A2G A 121 23.357 13.347 17.094 1.00 4.34 H new HETATM 0 H8A A2G A 121 22.685 14.131 15.644 1.00 4.34 H new HETATM 0 H8 A2G A 121 21.838 12.751 16.384 1.00 4.34 H new HETATM 0 H6 A2G A 121 28.195 10.753 10.071 1.00 62.22 H new HETATM 0 H5 A2G A 121 28.546 12.234 12.251 1.00 43.42 H new HETATM 0 H4 A2G A 121 29.039 10.710 13.877 1.00 23.50 H new HETATM 0 H3 A2G A 121 27.661 12.647 14.588 1.00 11.20 H new HETATM 0 H2 A2G A 121 25.267 10.909 13.883 1.00 12.04 H new HETATM 0 H15 A2G A 121 30.475 10.300 10.290 1.00 74.44 H new HETATM 0 H14 A2G A 121 28.503 9.458 11.210 1.00 62.22 H new HETATM 1928 C1 A2G A 122 28.320 8.284 13.728 1.00 21.21 C HETATM 1929 C2 A2G A 122 27.619 6.974 13.337 1.00 62.11 C HETATM 1930 C3 A2G A 122 26.367 6.815 14.221 1.00 45.03 C HETATM 1931 C4 A2G A 122 26.779 6.732 15.755 1.00 24.31 C HETATM 1932 C5 A2G A 122 27.647 7.918 16.120 1.00 52.10 C HETATM 1933 C6 A2G A 122 28.197 7.960 17.552 1.00 72.24 C HETATM 1934 C7 A2G A 122 27.561 5.846 11.107 1.00 73.14 C HETATM 1935 C8 A2G A 122 27.265 6.033 9.606 1.00 3.42 C HETATM 1936 O A2G A 122 28.745 8.157 15.142 1.00 42.13 O HETATM 1937 O3 A2G A 122 25.598 5.676 13.819 1.00 54.12 O HETATM 1938 O4 A2G A 122 27.569 5.504 15.958 1.00 62.32 O HETATM 1939 O6 A2G A 122 27.975 9.245 18.143 1.00 62.43 O HETATM 1940 O7 A2G A 122 27.960 4.775 11.535 1.00 52.11 O HETATM 1941 N2 A2G A 122 27.323 6.943 11.899 1.00 74.33 N HETATM 0 HO4 A2G A 122 28.515 5.692 15.786 1.00 62.32 H new HETATM 0 HO3 A2G A 122 24.809 5.594 14.395 1.00 54.12 H new HETATM 0 HN2 A2G A 122 26.922 7.776 11.468 1.00 74.33 H new HETATM 0 H8B A2G A 122 26.213 6.286 9.471 1.00 3.42 H new HETATM 0 H8A A2G A 122 27.885 6.837 9.210 1.00 3.42 H new HETATM 0 H8 A2G A 122 27.487 5.108 9.073 1.00 3.42 H new HETATM 0 H6 A2G A 122 29.264 7.738 17.543 1.00 72.24 H new HETATM 0 H5 A2G A 122 26.929 8.737 16.071 1.00 52.10 H new HETATM 0 H4 A2G A 122 25.881 6.729 16.373 1.00 24.31 H new HETATM 0 H3 A2G A 122 25.736 7.694 14.091 1.00 45.03 H new HETATM 0 H2 A2G A 122 28.273 6.120 13.514 1.00 62.11 H new HETATM 0 H15 A2G A 122 28.331 9.251 19.056 1.00 62.43 H new HETATM 0 H14 A2G A 122 27.716 7.189 18.154 1.00 72.24 H new HETATM 1955 C2 BGC A 123 28.872 14.140 8.515 1.00 25.03 C HETATM 1956 C3 BGC A 123 28.481 13.410 7.214 1.00 31.02 C HETATM 1957 C4 BGC A 123 27.287 12.455 7.402 1.00 31.24 C HETATM 1958 C5 BGC A 123 26.113 13.166 8.099 1.00 4.40 C HETATM 1959 C6 BGC A 123 24.886 12.287 8.373 1.00 34.32 C HETATM 1960 C1 BGC A 123 27.668 14.674 9.318 1.00 33.40 C HETATM 1961 O2 BGC A 123 29.697 15.266 8.167 1.00 35.52 O HETATM 1962 O3 BGC A 123 29.615 12.633 6.787 1.00 21.25 O HETATM 1963 O4 BGC A 123 26.843 12.025 6.103 1.00 53.20 O HETATM 1964 O5 BGC A 123 26.618 13.638 9.405 1.00 22.03 O HETATM 1965 O6 BGC A 123 24.660 12.242 9.790 1.00 0.01 O HETATM 0 H6C2 BGC A 123 24.011 12.690 7.863 1.00 34.32 H new HETATM 0 H6C1 BGC A 123 25.047 11.282 7.984 1.00 34.32 H new HETATM 0 HD BGC A 123 26.113 12.604 5.799 1.00 53.20 H new HETATM 0 HC BGC A 123 29.392 12.156 5.960 1.00 21.25 H new HETATM 0 HB BGC A 123 29.956 15.746 8.981 1.00 35.52 H new HETATM 0 H6 BGC A 123 25.483 11.963 10.244 1.00 0.01 H new HETATM 0 H5 BGC A 123 25.777 13.955 7.426 1.00 4.40 H new HETATM 0 H4 BGC A 123 27.605 11.613 8.017 1.00 31.24 H new HETATM 0 H3 BGC A 123 28.189 14.162 6.481 1.00 31.02 H new HETATM 0 H2 BGC A 123 29.384 13.411 9.143 1.00 25.03 H new