USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 GLN : amide:sc= -0.236 K(o=1.5,f=-3.6!) USER MOD Set 1.2: B 71 GLN : amide:sc= 0.467 K(o=1.5,f=-3.6) USER MOD Set 1.3: B 75 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 3 SER OG : rot -150:sc= 0.152 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.0455 K(o=-0.046,f=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ -103:sc= -0.115 (180deg=-1.01) USER MOD Single : A 19 TYR OH : rot 14:sc= 1.27 USER MOD Single : A 20 SER OG : rot -156:sc= 0.84 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.633 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= -0.0783 (180deg=-0.291) USER MOD Single : A 57 MET CE :methyl -114:sc= -0.0437 (180deg=-0.855) USER MOD Single : A 69 ASN : amide:sc= -0.17 K(o=-0.17,f=-4.8!) USER MOD Single : A 73 TYR OH : rot 158:sc= 0.966 USER MOD Single : A 75 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 82 MET CE :methyl 173:sc= 0 (180deg=-0.0863) USER MOD Single : A 84 TYR OH : rot 32:sc= 1.2 USER MOD Single : A 85 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : B 3 SER OG : rot -170:sc= 0.0541 USER MOD Single : B 7 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.00083) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 32:sc= 1.18 USER MOD Single : B 20 SER OG : rot -76:sc= 1.12 USER MOD Single : B 27 HIS : no HE2:sc=-0.00814 X(o=-0.0081,f=-0.32) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= -0.148 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -168:sc= -0.0271 (180deg=-0.165) USER MOD Single : B 35 LYS NZ :NH3+ -129:sc= 0.137 (180deg=-0.057) USER MOD Single : B 39 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.652) USER MOD Single : B 57 MET CE :methyl -112:sc= 0 (180deg=-0.811) USER MOD Single : B 63 ASN : amide:sc= 0.328 K(o=0.33,f=-2.4!) USER MOD Single : B 69 ASN : amide:sc= -0.241 K(o=-0.24,f=-8.5!) USER MOD Single : B 73 TYR OH : rot 153:sc= 1.15 USER MOD Single : B 82 MET CE :methyl -176:sc= 0 (180deg=-0.0145) USER MOD Single : B 84 TYR OH : rot 150:sc= 0 USER MOD Single : B 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -7.120 -6.990 -9.057 1.00 0.00 N ATOM 21 CA ALA A 2 -6.995 -5.801 -8.222 1.00 0.00 C ATOM 22 C ALA A 2 -8.010 -5.796 -7.077 1.00 0.00 C ATOM 23 O ALA A 2 -9.011 -5.083 -7.110 1.00 0.00 O ATOM 24 CB ALA A 2 -7.089 -4.537 -9.080 1.00 0.00 C ATOM 0 HA ALA A 2 -6.010 -5.818 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.994 -3.657 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.288 -4.538 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.052 -4.514 -9.590 1.00 0.00 H new ATOM 30 N SER A 3 -7.721 -6.593 -6.050 1.00 0.00 N ATOM 31 CA SER A 3 -8.431 -6.660 -4.784 1.00 0.00 C ATOM 32 C SER A 3 -8.550 -5.273 -4.126 1.00 0.00 C ATOM 33 O SER A 3 -7.780 -4.374 -4.466 1.00 0.00 O ATOM 34 CB SER A 3 -7.609 -7.594 -3.889 1.00 0.00 C ATOM 35 OG SER A 3 -6.889 -8.537 -4.657 1.00 0.00 O ATOM 0 H SER A 3 -6.938 -7.246 -6.086 1.00 0.00 H new ATOM 0 HA SER A 3 -9.448 -7.022 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.916 -7.007 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.271 -8.114 -3.197 1.00 0.00 H new ATOM 0 HG SER A 3 -6.776 -9.362 -4.140 1.00 0.00 H new ATOM 41 N PRO A 4 -9.442 -5.088 -3.135 1.00 0.00 N ATOM 42 CA PRO A 4 -9.563 -3.832 -2.406 1.00 0.00 C ATOM 43 C PRO A 4 -8.218 -3.344 -1.862 1.00 0.00 C ATOM 44 O PRO A 4 -7.871 -2.179 -2.051 1.00 0.00 O ATOM 45 CB PRO A 4 -10.597 -4.072 -1.298 1.00 0.00 C ATOM 46 CG PRO A 4 -10.678 -5.595 -1.183 1.00 0.00 C ATOM 47 CD PRO A 4 -10.391 -6.057 -2.610 1.00 0.00 C ATOM 0 HA PRO A 4 -9.893 -3.031 -3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.285 -3.618 -0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.564 -3.640 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.947 -5.987 -0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.660 -5.923 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.975 -7.064 -2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.302 -6.081 -3.208 1.00 0.00 H new ATOM 55 N LEU A 5 -7.438 -4.221 -1.214 1.00 0.00 N ATOM 56 CA LEU A 5 -6.106 -3.833 -0.762 1.00 0.00 C ATOM 57 C LEU A 5 -5.251 -3.374 -1.937 1.00 0.00 C ATOM 58 O LEU A 5 -4.642 -2.315 -1.858 1.00 0.00 O ATOM 59 CB LEU A 5 -5.374 -4.971 -0.037 1.00 0.00 C ATOM 60 CG LEU A 5 -5.504 -4.990 1.488 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.574 -6.088 2.024 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.096 -3.657 2.134 1.00 0.00 C ATOM 0 H LEU A 5 -7.703 -5.182 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.251 -3.015 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.745 -5.920 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.315 -4.915 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.550 -5.170 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.645 -6.126 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.870 -7.051 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.546 -5.868 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.208 -3.728 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.056 -3.438 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.734 -2.859 1.755 1.00 0.00 H new ATOM 74 N ASP A 6 -5.181 -4.164 -3.012 1.00 0.00 N ATOM 75 CA ASP A 6 -4.358 -3.831 -4.169 1.00 0.00 C ATOM 76 C ASP A 6 -4.712 -2.430 -4.675 1.00 0.00 C ATOM 77 O ASP A 6 -3.835 -1.596 -4.877 1.00 0.00 O ATOM 78 CB ASP A 6 -4.540 -4.874 -5.276 1.00 0.00 C ATOM 79 CG ASP A 6 -3.668 -4.545 -6.484 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.489 -4.956 -6.459 1.00 0.00 O ATOM 81 OD2 ASP A 6 -4.201 -3.893 -7.407 1.00 0.00 O ATOM 0 H ASP A 6 -5.690 -5.044 -3.101 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.310 -3.838 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.283 -5.862 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.587 -4.911 -5.578 1.00 0.00 H new ATOM 86 N GLN A 7 -6.011 -2.176 -4.844 1.00 0.00 N ATOM 87 CA GLN A 7 -6.536 -0.889 -5.269 1.00 0.00 C ATOM 88 C GLN A 7 -6.106 0.223 -4.305 1.00 0.00 C ATOM 89 O GLN A 7 -5.577 1.249 -4.726 1.00 0.00 O ATOM 90 CB GLN A 7 -8.064 -1.003 -5.373 1.00 0.00 C ATOM 91 CG GLN A 7 -8.704 0.241 -6.000 1.00 0.00 C ATOM 92 CD GLN A 7 -10.227 0.150 -5.984 1.00 0.00 C ATOM 93 OE1 GLN A 7 -10.900 1.014 -5.434 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.789 -0.900 -6.576 1.00 0.00 N ATOM 0 H GLN A 7 -6.736 -2.876 -4.685 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.132 -0.621 -6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.320 -1.879 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.482 -1.161 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.385 1.130 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.355 0.354 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.205 -1.605 -7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.804 -1.001 -6.580 1.00 0.00 H new ATOM 103 N ALA A 8 -6.351 0.038 -3.007 1.00 0.00 N ATOM 104 CA ALA A 8 -6.097 1.053 -1.993 1.00 0.00 C ATOM 105 C ALA A 8 -4.599 1.360 -1.857 1.00 0.00 C ATOM 106 O ALA A 8 -4.185 2.518 -1.805 1.00 0.00 O ATOM 107 CB ALA A 8 -6.707 0.582 -0.677 1.00 0.00 C ATOM 0 H ALA A 8 -6.734 -0.829 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.565 1.991 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.527 1.330 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.781 0.442 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.250 -0.362 -0.382 1.00 0.00 H new ATOM 113 N ILE A 9 -3.773 0.315 -1.830 1.00 0.00 N ATOM 114 CA ILE A 9 -2.325 0.425 -1.912 1.00 0.00 C ATOM 115 C ILE A 9 -1.982 1.223 -3.174 1.00 0.00 C ATOM 116 O ILE A 9 -1.265 2.217 -3.096 1.00 0.00 O ATOM 117 CB ILE A 9 -1.688 -0.979 -1.888 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.853 -1.604 -0.488 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.203 -0.923 -2.270 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.547 -3.105 -0.469 1.00 0.00 C ATOM 0 H ILE A 9 -4.102 -0.647 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.915 0.957 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.200 -1.599 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.192 -1.094 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.873 -1.441 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.218 -1.928 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.101 -0.513 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.331 -0.288 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.680 -3.491 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.225 -3.623 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.518 -3.271 -0.788 1.00 0.00 H new ATOM 132 N GLY A 10 -2.533 0.814 -4.320 1.00 0.00 N ATOM 133 CA GLY A 10 -2.421 1.525 -5.585 1.00 0.00 C ATOM 134 C GLY A 10 -2.687 3.021 -5.420 1.00 0.00 C ATOM 135 O GLY A 10 -1.888 3.840 -5.866 1.00 0.00 O ATOM 0 H GLY A 10 -3.082 -0.043 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.423 1.377 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.128 1.107 -6.301 1.00 0.00 H new ATOM 139 N LEU A 11 -3.788 3.385 -4.759 1.00 0.00 N ATOM 140 CA LEU A 11 -4.100 4.771 -4.432 1.00 0.00 C ATOM 141 C LEU A 11 -2.957 5.423 -3.644 1.00 0.00 C ATOM 142 O LEU A 11 -2.436 6.444 -4.081 1.00 0.00 O ATOM 143 CB LEU A 11 -5.448 4.863 -3.696 1.00 0.00 C ATOM 144 CG LEU A 11 -6.627 5.015 -4.672 1.00 0.00 C ATOM 145 CD1 LEU A 11 -7.904 4.374 -4.117 1.00 0.00 C ATOM 146 CD2 LEU A 11 -6.893 6.503 -4.924 1.00 0.00 C ATOM 0 H LEU A 11 -4.490 2.720 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.200 5.334 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.592 3.969 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.431 5.712 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.359 4.509 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.716 4.501 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.733 3.311 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.172 4.854 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.728 6.611 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.136 6.994 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.004 6.964 -5.354 1.00 0.00 H new ATOM 158 N LEU A 12 -2.548 4.865 -2.499 1.00 0.00 N ATOM 159 CA LEU A 12 -1.489 5.476 -1.685 1.00 0.00 C ATOM 160 C LEU A 12 -0.180 5.642 -2.476 1.00 0.00 C ATOM 161 O LEU A 12 0.470 6.689 -2.393 1.00 0.00 O ATOM 162 CB LEU A 12 -1.265 4.689 -0.381 1.00 0.00 C ATOM 163 CG LEU A 12 -2.144 5.194 0.779 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.636 5.079 0.474 1.00 0.00 C ATOM 165 CD2 LEU A 12 -1.858 4.389 2.050 1.00 0.00 C ATOM 0 H LEU A 12 -2.929 4.000 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.825 6.477 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.475 3.634 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.216 4.761 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.895 6.246 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.211 5.448 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.873 5.671 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.890 4.035 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.486 4.756 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.076 3.336 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.809 4.501 2.323 1.00 0.00 H new ATOM 177 N ILE A 13 0.204 4.617 -3.241 1.00 0.00 N ATOM 178 CA ILE A 13 1.351 4.667 -4.146 1.00 0.00 C ATOM 179 C ILE A 13 1.181 5.810 -5.149 1.00 0.00 C ATOM 180 O ILE A 13 2.056 6.665 -5.270 1.00 0.00 O ATOM 181 CB ILE A 13 1.534 3.313 -4.862 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.946 2.236 -3.844 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.580 3.404 -5.990 1.00 0.00 C ATOM 184 CD1 ILE A 13 2.062 0.855 -4.495 1.00 0.00 C ATOM 0 H ILE A 13 -0.280 3.719 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 13 2.253 4.859 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 13 0.581 3.041 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.901 2.507 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.213 2.198 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.682 2.431 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.258 4.141 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.541 3.704 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.355 0.122 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.100 0.572 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.814 0.886 -5.283 1.00 0.00 H new ATOM 196 N GLY A 14 0.070 5.814 -5.887 1.00 0.00 N ATOM 197 CA GLY A 14 -0.212 6.797 -6.921 1.00 0.00 C ATOM 198 C GLY A 14 -0.144 8.209 -6.349 1.00 0.00 C ATOM 199 O GLY A 14 0.517 9.080 -6.908 1.00 0.00 O ATOM 0 H GLY A 14 -0.669 5.120 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.505 6.693 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.201 6.616 -7.343 1.00 0.00 H new ATOM 203 N ILE A 15 -0.809 8.420 -5.214 1.00 0.00 N ATOM 204 CA ILE A 15 -0.759 9.664 -4.465 1.00 0.00 C ATOM 205 C ILE A 15 0.694 10.041 -4.175 1.00 0.00 C ATOM 206 O ILE A 15 1.081 11.181 -4.409 1.00 0.00 O ATOM 207 CB ILE A 15 -1.600 9.533 -3.184 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.107 9.454 -3.502 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.293 10.683 -2.220 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.778 10.804 -3.770 1.00 0.00 C ATOM 0 H ILE A 15 -1.408 7.714 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.189 10.473 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.326 8.598 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.247 8.815 -4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.615 8.971 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.897 10.574 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.236 10.662 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.527 11.633 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.835 10.649 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.675 11.442 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.301 11.284 -4.625 1.00 0.00 H new ATOM 222 N PHE A 16 1.508 9.107 -3.672 1.00 0.00 N ATOM 223 CA PHE A 16 2.917 9.399 -3.438 1.00 0.00 C ATOM 224 C PHE A 16 3.575 9.872 -4.736 1.00 0.00 C ATOM 225 O PHE A 16 4.053 11.003 -4.818 1.00 0.00 O ATOM 226 CB PHE A 16 3.636 8.177 -2.856 1.00 0.00 C ATOM 227 CG PHE A 16 5.028 8.466 -2.331 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.193 9.304 -1.213 1.00 0.00 C ATOM 229 CD2 PHE A 16 6.151 7.839 -2.903 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.457 9.445 -0.617 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.417 7.994 -2.313 1.00 0.00 C ATOM 232 CZ PHE A 16 7.572 8.795 -1.169 1.00 0.00 C ATOM 0 H PHE A 16 1.218 8.161 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 16 2.996 10.202 -2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.033 7.766 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.703 7.408 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.346 9.840 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.040 7.239 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.571 10.054 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.274 7.495 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.546 8.910 -0.716 1.00 0.00 H new ATOM 242 N HIS A 17 3.550 9.019 -5.763 1.00 0.00 N ATOM 243 CA HIS A 17 4.179 9.271 -7.053 1.00 0.00 C ATOM 244 C HIS A 17 3.746 10.618 -7.637 1.00 0.00 C ATOM 245 O HIS A 17 4.555 11.309 -8.252 1.00 0.00 O ATOM 246 CB HIS A 17 3.857 8.119 -8.014 1.00 0.00 C ATOM 247 CG HIS A 17 4.662 8.128 -9.293 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.969 9.224 -10.072 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.237 7.033 -9.884 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.715 8.794 -11.104 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.909 7.467 -11.030 1.00 0.00 N ATOM 0 H HIS A 17 3.080 8.115 -5.715 1.00 0.00 H new ATOM 0 HA HIS A 17 5.258 9.322 -6.910 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.028 7.174 -7.499 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.797 8.158 -8.266 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.682 10.187 -9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.181 6.015 -9.527 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.105 9.429 -11.886 1.00 0.00 H new ATOM 259 N LYS A 18 2.476 10.984 -7.468 1.00 0.00 N ATOM 260 CA LYS A 18 1.911 12.231 -7.958 1.00 0.00 C ATOM 261 C LYS A 18 2.672 13.457 -7.434 1.00 0.00 C ATOM 262 O LYS A 18 2.708 14.475 -8.126 1.00 0.00 O ATOM 263 CB LYS A 18 0.414 12.242 -7.609 1.00 0.00 C ATOM 264 CG LYS A 18 -0.365 13.457 -8.124 1.00 0.00 C ATOM 265 CD LYS A 18 -1.853 13.393 -7.736 1.00 0.00 C ATOM 266 CE LYS A 18 -2.628 12.247 -8.407 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.630 11.015 -7.596 1.00 0.00 N ATOM 0 H LYS A 18 1.798 10.404 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 18 2.018 12.293 -9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.044 11.339 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.309 12.196 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.076 14.368 -7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.275 13.512 -9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.931 13.285 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.327 14.339 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.656 12.563 -8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.187 12.036 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.950 10.336 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.360 11.243 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.582 10.596 -7.604 1.00 0.00 H new ATOM 281 N TYR A 19 3.279 13.374 -6.241 1.00 0.00 N ATOM 282 CA TYR A 19 4.023 14.478 -5.639 1.00 0.00 C ATOM 283 C TYR A 19 5.533 14.205 -5.593 1.00 0.00 C ATOM 284 O TYR A 19 6.313 15.120 -5.847 1.00 0.00 O ATOM 285 CB TYR A 19 3.438 14.831 -4.264 1.00 0.00 C ATOM 286 CG TYR A 19 2.061 15.473 -4.343 1.00 0.00 C ATOM 287 CD1 TYR A 19 0.926 14.665 -4.531 1.00 0.00 C ATOM 288 CD2 TYR A 19 1.916 16.876 -4.344 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.341 15.244 -4.711 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.654 17.455 -4.560 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.472 16.640 -4.756 1.00 0.00 C ATOM 292 OH TYR A 19 -1.677 17.208 -5.036 1.00 0.00 O ATOM 0 H TYR A 19 3.264 12.531 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 19 3.907 15.353 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.375 13.926 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.119 15.510 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.029 13.590 -4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.777 17.507 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.213 14.615 -4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.550 18.530 -4.575 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.383 16.532 -4.961 1.00 0.00 H new ATOM 302 N SER A 20 5.971 12.980 -5.281 1.00 0.00 N ATOM 303 CA SER A 20 7.392 12.645 -5.240 1.00 0.00 C ATOM 304 C SER A 20 7.936 12.390 -6.647 1.00 0.00 C ATOM 305 O SER A 20 9.007 12.872 -7.013 1.00 0.00 O ATOM 306 CB SER A 20 7.637 11.426 -4.341 1.00 0.00 C ATOM 307 OG SER A 20 7.097 10.239 -4.889 1.00 0.00 O ATOM 0 H SER A 20 5.353 12.201 -5.052 1.00 0.00 H new ATOM 0 HA SER A 20 7.925 13.497 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.709 11.299 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.195 11.605 -3.361 1.00 0.00 H new ATOM 0 HG SER A 20 6.924 9.596 -4.170 1.00 0.00 H new ATOM 415 N THR A 28 11.359 9.545 -1.895 1.00 0.00 N ATOM 416 CA THR A 28 11.237 10.492 -0.806 1.00 0.00 C ATOM 417 C THR A 28 10.512 11.759 -1.275 1.00 0.00 C ATOM 418 O THR A 28 10.360 11.981 -2.475 1.00 0.00 O ATOM 419 CB THR A 28 12.642 10.823 -0.271 1.00 0.00 C ATOM 420 OG1 THR A 28 13.328 11.659 -1.178 1.00 0.00 O ATOM 421 CG2 THR A 28 13.539 9.605 -0.023 1.00 0.00 C ATOM 0 HA THR A 28 10.644 10.054 -0.003 1.00 0.00 H new ATOM 0 HB THR A 28 12.458 11.306 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.219 11.863 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.507 9.937 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.070 8.951 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.679 9.060 -0.957 1.00 0.00 H new ATOM 429 N LEU A 29 10.057 12.583 -0.328 1.00 0.00 N ATOM 430 CA LEU A 29 9.560 13.936 -0.568 1.00 0.00 C ATOM 431 C LEU A 29 9.595 14.700 0.756 1.00 0.00 C ATOM 432 O LEU A 29 9.815 14.079 1.792 1.00 0.00 O ATOM 433 CB LEU A 29 8.177 13.943 -1.242 1.00 0.00 C ATOM 434 CG LEU A 29 7.158 12.917 -0.724 1.00 0.00 C ATOM 435 CD1 LEU A 29 6.976 12.942 0.796 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.801 13.189 -1.381 1.00 0.00 C ATOM 0 H LEU A 29 10.024 12.317 0.656 1.00 0.00 H new ATOM 0 HA LEU A 29 10.207 14.445 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.747 14.938 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.317 13.776 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 29 7.548 11.933 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.242 12.191 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.928 12.725 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.628 13.928 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.070 12.465 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.470 14.196 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.896 13.099 -2.463 1.00 0.00 H new ATOM 448 N SER A 30 9.436 16.027 0.743 1.00 0.00 N ATOM 449 CA SER A 30 9.604 16.870 1.926 1.00 0.00 C ATOM 450 C SER A 30 8.347 17.676 2.290 1.00 0.00 C ATOM 451 O SER A 30 7.257 17.478 1.751 1.00 0.00 O ATOM 452 CB SER A 30 10.827 17.783 1.742 1.00 0.00 C ATOM 453 OG SER A 30 11.259 18.314 2.985 1.00 0.00 O ATOM 0 H SER A 30 9.185 16.549 -0.097 1.00 0.00 H new ATOM 0 HA SER A 30 9.772 16.206 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.639 17.220 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.578 18.597 1.062 1.00 0.00 H new ATOM 0 HG SER A 30 12.039 18.890 2.841 1.00 0.00 H new ATOM 459 N LYS A 31 8.547 18.603 3.230 1.00 0.00 N ATOM 460 CA LYS A 31 7.548 19.386 3.938 1.00 0.00 C ATOM 461 C LYS A 31 6.476 19.977 3.025 1.00 0.00 C ATOM 462 O LYS A 31 5.286 19.757 3.239 1.00 0.00 O ATOM 463 CB LYS A 31 8.240 20.454 4.805 1.00 0.00 C ATOM 464 CG LYS A 31 9.307 21.301 4.088 1.00 0.00 C ATOM 465 CD LYS A 31 10.112 22.109 5.113 1.00 0.00 C ATOM 466 CE LYS A 31 11.237 22.885 4.418 1.00 0.00 C ATOM 467 NZ LYS A 31 12.064 23.613 5.396 1.00 0.00 N ATOM 0 H LYS A 31 9.491 18.840 3.536 1.00 0.00 H new ATOM 0 HA LYS A 31 7.003 18.706 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.477 21.123 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.706 19.959 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.974 20.654 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.830 21.974 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.454 22.802 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.533 21.440 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.862 22.195 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.810 23.589 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.817 24.129 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.470 24.287 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.490 22.937 6.062 1.00 0.00 H new ATOM 481 N LYS A 32 6.891 20.740 2.010 1.00 0.00 N ATOM 482 CA LYS A 32 5.978 21.395 1.095 1.00 0.00 C ATOM 483 C LYS A 32 5.062 20.350 0.458 1.00 0.00 C ATOM 484 O LYS A 32 3.840 20.479 0.498 1.00 0.00 O ATOM 485 CB LYS A 32 6.794 22.185 0.060 1.00 0.00 C ATOM 486 CG LYS A 32 5.939 22.898 -0.995 1.00 0.00 C ATOM 487 CD LYS A 32 4.866 23.813 -0.392 1.00 0.00 C ATOM 488 CE LYS A 32 5.467 24.969 0.415 1.00 0.00 C ATOM 489 NZ LYS A 32 4.421 25.900 0.872 1.00 0.00 N ATOM 0 H LYS A 32 7.875 20.916 1.807 1.00 0.00 H new ATOM 0 HA LYS A 32 5.337 22.104 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.403 22.925 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.480 21.504 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.589 23.489 -1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.457 22.152 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.246 24.217 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.212 23.225 0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.007 24.573 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.192 25.505 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.857 26.672 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.923 26.294 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.743 25.392 1.475 1.00 0.00 H new ATOM 503 N GLU A 33 5.662 19.299 -0.101 1.00 0.00 N ATOM 504 CA GLU A 33 4.941 18.216 -0.742 1.00 0.00 C ATOM 505 C GLU A 33 3.963 17.561 0.232 1.00 0.00 C ATOM 506 O GLU A 33 2.846 17.248 -0.156 1.00 0.00 O ATOM 507 CB GLU A 33 5.911 17.182 -1.325 1.00 0.00 C ATOM 508 CG GLU A 33 6.958 17.797 -2.269 1.00 0.00 C ATOM 509 CD GLU A 33 8.272 18.098 -1.556 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.313 19.094 -0.800 1.00 0.00 O ATOM 511 OE2 GLU A 33 9.212 17.294 -1.733 1.00 0.00 O ATOM 0 H GLU A 33 6.675 19.181 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 33 4.364 18.636 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.423 16.673 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.343 16.426 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.144 17.113 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.561 18.717 -2.699 1.00 0.00 H new ATOM 518 N LEU A 34 4.363 17.345 1.488 1.00 0.00 N ATOM 519 CA LEU A 34 3.491 16.751 2.500 1.00 0.00 C ATOM 520 C LEU A 34 2.304 17.662 2.837 1.00 0.00 C ATOM 521 O LEU A 34 1.156 17.212 2.865 1.00 0.00 O ATOM 522 CB LEU A 34 4.301 16.419 3.753 1.00 0.00 C ATOM 523 CG LEU A 34 5.301 15.278 3.514 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.360 15.320 4.612 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.622 13.901 3.517 1.00 0.00 C ATOM 0 H LEU A 34 5.296 17.576 1.829 1.00 0.00 H new ATOM 0 HA LEU A 34 3.076 15.830 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.839 17.308 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.622 16.141 4.559 1.00 0.00 H new ATOM 0 HG LEU A 34 5.749 15.420 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.078 14.515 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.878 16.279 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.882 15.196 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.369 13.126 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.143 13.734 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.871 13.864 2.727 1.00 0.00 H new ATOM 537 N LYS A 35 2.563 18.944 3.101 1.00 0.00 N ATOM 538 CA LYS A 35 1.494 19.899 3.363 1.00 0.00 C ATOM 539 C LYS A 35 0.538 19.949 2.167 1.00 0.00 C ATOM 540 O LYS A 35 -0.680 19.889 2.343 1.00 0.00 O ATOM 541 CB LYS A 35 2.063 21.285 3.689 1.00 0.00 C ATOM 542 CG LYS A 35 2.767 21.310 5.054 1.00 0.00 C ATOM 543 CD LYS A 35 3.362 22.699 5.312 1.00 0.00 C ATOM 544 CE LYS A 35 3.963 22.771 6.720 1.00 0.00 C ATOM 545 NZ LYS A 35 4.534 24.100 6.999 1.00 0.00 N ATOM 0 H LYS A 35 3.502 19.340 3.138 1.00 0.00 H new ATOM 0 HA LYS A 35 0.932 19.570 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.768 21.580 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.257 22.019 3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.058 21.057 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.555 20.557 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.131 22.916 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.589 23.459 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.193 22.543 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.738 22.012 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.932 24.112 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.286 24.306 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.788 24.821 6.924 1.00 0.00 H new ATOM 559 N GLU A 36 1.087 20.029 0.951 1.00 0.00 N ATOM 560 CA GLU A 36 0.294 19.967 -0.267 1.00 0.00 C ATOM 561 C GLU A 36 -0.499 18.662 -0.321 1.00 0.00 C ATOM 562 O GLU A 36 -1.693 18.708 -0.562 1.00 0.00 O ATOM 563 CB GLU A 36 1.167 20.139 -1.512 1.00 0.00 C ATOM 564 CG GLU A 36 1.696 21.577 -1.621 1.00 0.00 C ATOM 565 CD GLU A 36 2.740 21.744 -2.723 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.354 20.724 -3.108 1.00 0.00 O ATOM 567 OE2 GLU A 36 2.920 22.903 -3.153 1.00 0.00 O ATOM 0 H GLU A 36 2.088 20.138 0.790 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.414 20.796 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.004 19.442 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.589 19.892 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.862 22.252 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.132 21.872 -0.667 1.00 0.00 H new ATOM 574 N LEU A 37 0.124 17.505 -0.095 1.00 0.00 N ATOM 575 CA LEU A 37 -0.568 16.221 -0.083 1.00 0.00 C ATOM 576 C LEU A 37 -1.823 16.309 0.782 1.00 0.00 C ATOM 577 O LEU A 37 -2.913 15.994 0.303 1.00 0.00 O ATOM 578 CB LEU A 37 0.361 15.096 0.399 1.00 0.00 C ATOM 579 CG LEU A 37 1.176 14.474 -0.743 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.406 13.751 -0.188 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.315 13.454 -1.493 1.00 0.00 C ATOM 0 H LEU A 37 1.125 17.434 0.085 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.869 15.980 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.042 15.490 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.234 14.320 0.881 1.00 0.00 H new ATOM 0 HG LEU A 37 1.492 15.272 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.974 13.315 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.034 14.461 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.088 12.961 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.896 13.014 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.002 12.670 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.563 13.952 -1.905 1.00 0.00 H new ATOM 593 N ILE A 38 -1.688 16.778 2.029 1.00 0.00 N ATOM 594 CA ILE A 38 -2.859 17.010 2.867 1.00 0.00 C ATOM 595 C ILE A 38 -3.830 17.972 2.167 1.00 0.00 C ATOM 596 O ILE A 38 -4.952 17.586 1.856 1.00 0.00 O ATOM 597 CB ILE A 38 -2.456 17.437 4.296 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.939 16.202 5.057 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.641 18.070 5.043 1.00 0.00 C ATOM 600 CD1 ILE A 38 -1.358 16.522 6.437 1.00 0.00 C ATOM 0 H ILE A 38 -0.795 16.999 2.469 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.402 16.074 3.000 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.670 18.190 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.757 15.491 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.173 15.711 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.326 18.360 6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.984 18.951 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.455 17.348 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.015 15.602 6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.518 17.208 6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.126 16.984 7.057 1.00 0.00 H new ATOM 612 N GLN A 39 -3.414 19.213 1.904 1.00 0.00 N ATOM 613 CA GLN A 39 -4.286 20.255 1.362 1.00 0.00 C ATOM 614 C GLN A 39 -5.085 19.779 0.138 1.00 0.00 C ATOM 615 O GLN A 39 -6.279 20.044 0.019 1.00 0.00 O ATOM 616 CB GLN A 39 -3.424 21.476 1.016 1.00 0.00 C ATOM 617 CG GLN A 39 -4.252 22.670 0.522 1.00 0.00 C ATOM 618 CD GLN A 39 -3.349 23.829 0.117 1.00 0.00 C ATOM 619 OE1 GLN A 39 -3.194 24.119 -1.064 1.00 0.00 O ATOM 620 NE2 GLN A 39 -2.737 24.497 1.089 1.00 0.00 N ATOM 0 H GLN A 39 -2.456 19.524 2.063 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.027 20.517 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.855 21.774 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.701 21.199 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.864 22.367 -0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.935 22.993 1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.886 24.232 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.118 25.275 0.862 1.00 0.00 H new ATOM 629 N LYS A 40 -4.394 19.126 -0.794 1.00 0.00 N ATOM 630 CA LYS A 40 -4.892 18.744 -2.101 1.00 0.00 C ATOM 631 C LYS A 40 -5.722 17.464 -1.995 1.00 0.00 C ATOM 632 O LYS A 40 -6.853 17.409 -2.475 1.00 0.00 O ATOM 633 CB LYS A 40 -3.705 18.497 -3.054 1.00 0.00 C ATOM 634 CG LYS A 40 -2.619 19.587 -3.134 1.00 0.00 C ATOM 635 CD LYS A 40 -2.689 20.464 -4.383 1.00 0.00 C ATOM 636 CE LYS A 40 -3.740 21.553 -4.172 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.854 22.433 -5.347 1.00 0.00 N ATOM 0 H LYS A 40 -3.427 18.838 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.517 19.549 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.225 17.564 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.104 18.346 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.697 20.225 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.640 19.109 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.716 20.914 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.944 19.859 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.706 21.092 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.478 22.147 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.576 23.160 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.938 22.892 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.128 21.870 -6.177 1.00 0.00 H new ATOM 651 N GLU A 41 -5.132 16.418 -1.408 1.00 0.00 N ATOM 652 CA GLU A 41 -5.675 15.067 -1.450 1.00 0.00 C ATOM 653 C GLU A 41 -6.522 14.714 -0.225 1.00 0.00 C ATOM 654 O GLU A 41 -7.229 13.709 -0.272 1.00 0.00 O ATOM 655 CB GLU A 41 -4.541 14.048 -1.628 1.00 0.00 C ATOM 656 CG GLU A 41 -3.549 14.391 -2.751 1.00 0.00 C ATOM 657 CD GLU A 41 -4.207 14.551 -4.118 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.107 13.739 -4.421 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.771 15.470 -4.847 1.00 0.00 O ATOM 0 H GLU A 41 -4.258 16.491 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.346 15.027 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.993 13.964 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.977 13.070 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.030 15.315 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.794 13.607 -2.810 1.00 0.00 H new ATOM 666 N LEU A 42 -6.449 15.497 0.856 1.00 0.00 N ATOM 667 CA LEU A 42 -7.289 15.377 2.043 1.00 0.00 C ATOM 668 C LEU A 42 -8.031 16.695 2.232 1.00 0.00 C ATOM 669 O LEU A 42 -7.662 17.528 3.056 1.00 0.00 O ATOM 670 CB LEU A 42 -6.443 15.015 3.274 1.00 0.00 C ATOM 671 CG LEU A 42 -5.949 13.562 3.235 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.806 13.360 4.228 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.085 12.606 3.602 1.00 0.00 C ATOM 0 H LEU A 42 -5.776 16.260 0.927 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.013 14.572 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.586 15.686 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.034 15.171 4.177 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.600 13.353 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.468 12.325 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.979 14.022 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.154 13.589 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.721 11.579 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.442 12.834 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.903 12.723 2.891 1.00 0.00 H new ATOM 794 N ASP A 50 -8.080 16.761 15.482 1.00 0.00 N ATOM 795 CA ASP A 50 -6.768 17.348 15.762 1.00 0.00 C ATOM 796 C ASP A 50 -5.731 16.823 14.770 1.00 0.00 C ATOM 797 O ASP A 50 -4.863 17.573 14.331 1.00 0.00 O ATOM 798 CB ASP A 50 -6.281 17.078 17.198 1.00 0.00 C ATOM 799 CG ASP A 50 -5.984 15.610 17.491 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.838 14.769 17.135 1.00 0.00 O ATOM 801 OD2 ASP A 50 -4.900 15.350 18.053 1.00 0.00 O ATOM 0 HA ASP A 50 -6.884 18.426 15.654 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.380 17.663 17.380 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.037 17.431 17.899 1.00 0.00 H new ATOM 806 N ALA A 51 -5.819 15.533 14.429 1.00 0.00 N ATOM 807 CA ALA A 51 -4.853 14.809 13.615 1.00 0.00 C ATOM 808 C ALA A 51 -4.243 15.651 12.497 1.00 0.00 C ATOM 809 O ALA A 51 -3.028 15.800 12.433 1.00 0.00 O ATOM 810 CB ALA A 51 -5.528 13.584 13.008 1.00 0.00 C ATOM 0 H ALA A 51 -6.598 14.947 14.727 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.035 14.525 14.277 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.809 13.038 12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.892 12.937 13.806 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.366 13.901 12.387 1.00 0.00 H new ATOM 816 N GLU A 52 -5.083 16.178 11.603 1.00 0.00 N ATOM 817 CA GLU A 52 -4.619 16.873 10.413 1.00 0.00 C ATOM 818 C GLU A 52 -3.884 18.161 10.781 1.00 0.00 C ATOM 819 O GLU A 52 -2.859 18.491 10.189 1.00 0.00 O ATOM 820 CB GLU A 52 -5.806 17.112 9.469 1.00 0.00 C ATOM 821 CG GLU A 52 -5.327 17.457 8.054 1.00 0.00 C ATOM 822 CD GLU A 52 -6.477 17.408 7.054 1.00 0.00 C ATOM 823 OE1 GLU A 52 -6.815 16.279 6.642 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.997 18.497 6.730 1.00 0.00 O ATOM 0 H GLU A 52 -6.098 16.132 11.688 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.893 16.255 9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.433 16.221 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.424 17.923 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.881 18.452 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.548 16.758 7.751 1.00 0.00 H new ATOM 831 N ILE A 53 -4.406 18.872 11.781 1.00 0.00 N ATOM 832 CA ILE A 53 -3.824 20.106 12.273 1.00 0.00 C ATOM 833 C ILE A 53 -2.421 19.764 12.789 1.00 0.00 C ATOM 834 O ILE A 53 -1.415 20.326 12.355 1.00 0.00 O ATOM 835 CB ILE A 53 -4.712 20.714 13.383 1.00 0.00 C ATOM 836 CG1 ILE A 53 -6.178 20.967 12.980 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.110 22.050 13.841 1.00 0.00 C ATOM 838 CD1 ILE A 53 -7.037 19.713 12.756 1.00 0.00 C ATOM 0 H ILE A 53 -5.256 18.597 12.274 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.757 20.856 11.485 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.730 19.967 14.177 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.648 21.573 13.755 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.186 21.558 12.064 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.734 22.481 14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.105 21.882 14.229 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.062 22.736 12.996 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.048 20.010 12.477 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.602 19.112 11.958 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.071 19.127 13.674 1.00 0.00 H new ATOM 850 N VAL A 54 -2.369 18.791 13.702 1.00 0.00 N ATOM 851 CA VAL A 54 -1.141 18.322 14.319 1.00 0.00 C ATOM 852 C VAL A 54 -0.149 17.870 13.248 1.00 0.00 C ATOM 853 O VAL A 54 1.016 18.235 13.326 1.00 0.00 O ATOM 854 CB VAL A 54 -1.458 17.228 15.354 1.00 0.00 C ATOM 855 CG1 VAL A 54 -0.182 16.606 15.937 1.00 0.00 C ATOM 856 CG2 VAL A 54 -2.267 17.837 16.507 1.00 0.00 C ATOM 0 H VAL A 54 -3.200 18.302 14.035 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.661 19.138 14.860 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.024 16.448 14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.450 15.839 16.663 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.404 16.157 15.135 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.408 17.380 16.428 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.493 17.064 17.241 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.686 18.629 16.980 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.197 18.252 16.119 1.00 0.00 H new ATOM 866 N LYS A 55 -0.587 17.103 12.247 1.00 0.00 N ATOM 867 CA LYS A 55 0.264 16.686 11.139 1.00 0.00 C ATOM 868 C LYS A 55 0.849 17.906 10.435 1.00 0.00 C ATOM 869 O LYS A 55 2.064 17.986 10.261 1.00 0.00 O ATOM 870 CB LYS A 55 -0.508 15.797 10.151 1.00 0.00 C ATOM 871 CG LYS A 55 -0.082 14.322 10.173 1.00 0.00 C ATOM 872 CD LYS A 55 -0.512 13.527 11.413 1.00 0.00 C ATOM 873 CE LYS A 55 0.311 13.760 12.687 1.00 0.00 C ATOM 874 NZ LYS A 55 1.754 13.563 12.466 1.00 0.00 N ATOM 0 H LYS A 55 -1.544 16.755 12.185 1.00 0.00 H new ATOM 0 HA LYS A 55 1.085 16.093 11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.573 15.860 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.372 16.189 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.490 13.831 9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.004 14.275 10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.553 13.767 11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.473 12.465 11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.136 14.773 13.049 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.031 13.080 13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.164 13.057 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.900 13.005 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.219 14.488 12.364 1.00 0.00 H new ATOM 888 N LEU A 56 -0.003 18.851 10.028 1.00 0.00 N ATOM 889 CA LEU A 56 0.444 20.052 9.336 1.00 0.00 C ATOM 890 C LEU A 56 1.508 20.798 10.151 1.00 0.00 C ATOM 891 O LEU A 56 2.481 21.278 9.573 1.00 0.00 O ATOM 892 CB LEU A 56 -0.750 20.952 8.989 1.00 0.00 C ATOM 893 CG LEU A 56 -1.618 20.394 7.847 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.958 21.139 7.817 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.932 20.543 6.482 1.00 0.00 C ATOM 0 H LEU A 56 -1.012 18.802 10.169 1.00 0.00 H new ATOM 0 HA LEU A 56 0.914 19.754 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.369 21.082 9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.383 21.939 8.709 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.772 19.331 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.575 20.746 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.473 21.000 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.780 22.202 7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.578 20.137 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.743 21.598 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.013 20.000 6.489 1.00 0.00 H new ATOM 907 N MET A 57 1.350 20.889 11.476 1.00 0.00 N ATOM 908 CA MET A 57 2.382 21.474 12.325 1.00 0.00 C ATOM 909 C MET A 57 3.616 20.558 12.344 1.00 0.00 C ATOM 910 O MET A 57 4.672 20.917 11.822 1.00 0.00 O ATOM 911 CB MET A 57 1.851 21.724 13.747 1.00 0.00 C ATOM 912 CG MET A 57 1.206 23.104 13.976 1.00 0.00 C ATOM 913 SD MET A 57 -0.586 23.292 13.762 1.00 0.00 S ATOM 914 CE MET A 57 -0.775 23.465 11.975 1.00 0.00 C ATOM 0 H MET A 57 0.522 20.566 11.977 1.00 0.00 H new ATOM 0 HA MET A 57 2.671 22.441 11.914 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.116 20.954 13.983 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.675 21.605 14.451 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.449 23.415 14.992 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.692 23.809 13.302 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.139 24.466 11.743 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.189 23.308 11.490 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.489 22.726 11.611 1.00 0.00 H new ATOM 924 N ASP A 58 3.465 19.373 12.950 1.00 0.00 N ATOM 925 CA ASP A 58 4.485 18.347 13.159 1.00 0.00 C ATOM 926 C ASP A 58 5.401 18.195 11.951 1.00 0.00 C ATOM 927 O ASP A 58 6.611 18.054 12.109 1.00 0.00 O ATOM 928 CB ASP A 58 3.812 17.000 13.465 1.00 0.00 C ATOM 929 CG ASP A 58 4.818 15.854 13.561 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.764 15.990 14.365 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.619 14.854 12.831 1.00 0.00 O ATOM 0 H ASP A 58 2.563 19.090 13.332 1.00 0.00 H new ATOM 0 HA ASP A 58 5.098 18.662 14.004 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.262 17.077 14.403 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.083 16.776 12.686 1.00 0.00 H new ATOM 936 N ASP A 59 4.818 18.235 10.752 1.00 0.00 N ATOM 937 CA ASP A 59 5.524 18.192 9.486 1.00 0.00 C ATOM 938 C ASP A 59 6.827 18.995 9.523 1.00 0.00 C ATOM 939 O ASP A 59 7.872 18.470 9.141 1.00 0.00 O ATOM 940 CB ASP A 59 4.607 18.743 8.393 1.00 0.00 C ATOM 941 CG ASP A 59 5.283 18.652 7.037 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.332 17.520 6.515 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.753 19.707 6.564 1.00 0.00 O ATOM 0 H ASP A 59 3.806 18.300 10.640 1.00 0.00 H new ATOM 0 HA ASP A 59 5.791 17.156 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.672 18.183 8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.354 19.781 8.611 1.00 0.00 H new ATOM 948 N LEU A 60 6.787 20.247 9.986 1.00 0.00 N ATOM 949 CA LEU A 60 7.981 21.084 9.982 1.00 0.00 C ATOM 950 C LEU A 60 9.087 20.464 10.840 1.00 0.00 C ATOM 951 O LEU A 60 10.249 20.443 10.439 1.00 0.00 O ATOM 952 CB LEU A 60 7.642 22.539 10.350 1.00 0.00 C ATOM 953 CG LEU A 60 7.309 22.794 11.832 1.00 0.00 C ATOM 954 CD1 LEU A 60 8.544 23.251 12.621 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.233 23.880 11.945 1.00 0.00 C ATOM 0 H LEU A 60 5.952 20.695 10.363 1.00 0.00 H new ATOM 0 HA LEU A 60 8.381 21.126 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.486 23.170 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.793 22.859 9.746 1.00 0.00 H new ATOM 0 HG LEU A 60 6.952 21.853 12.251 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.269 23.421 13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.314 22.481 12.570 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.928 24.176 12.192 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.002 24.055 12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.599 24.803 11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.332 23.555 11.425 1.00 0.00 H new ATOM 967 N ASP A 61 8.722 19.922 12.005 1.00 0.00 N ATOM 968 CA ASP A 61 9.660 19.323 12.945 1.00 0.00 C ATOM 969 C ASP A 61 10.179 18.003 12.385 1.00 0.00 C ATOM 970 O ASP A 61 11.366 17.706 12.478 1.00 0.00 O ATOM 971 CB ASP A 61 8.979 19.095 14.301 1.00 0.00 C ATOM 972 CG ASP A 61 8.408 20.383 14.881 1.00 0.00 C ATOM 973 OD1 ASP A 61 9.201 21.134 15.488 1.00 0.00 O ATOM 974 OD2 ASP A 61 7.191 20.596 14.694 1.00 0.00 O ATOM 0 H ASP A 61 7.753 19.889 12.322 1.00 0.00 H new ATOM 0 HA ASP A 61 10.501 20.001 13.090 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.179 18.364 14.186 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.699 18.671 15.001 1.00 0.00 H new ATOM 979 N ARG A 62 9.277 17.207 11.809 1.00 0.00 N ATOM 980 CA ARG A 62 9.598 15.930 11.195 1.00 0.00 C ATOM 981 C ARG A 62 10.614 16.126 10.068 1.00 0.00 C ATOM 982 O ARG A 62 11.595 15.394 9.974 1.00 0.00 O ATOM 983 CB ARG A 62 8.297 15.288 10.690 1.00 0.00 C ATOM 984 CG ARG A 62 8.525 13.881 10.120 1.00 0.00 C ATOM 985 CD ARG A 62 7.230 13.247 9.597 1.00 0.00 C ATOM 986 NE ARG A 62 6.223 13.125 10.663 1.00 0.00 N ATOM 987 CZ ARG A 62 5.463 12.057 10.947 1.00 0.00 C ATOM 988 NH1 ARG A 62 5.516 10.935 10.219 1.00 0.00 N ATOM 989 NH2 ARG A 62 4.621 12.143 11.980 1.00 0.00 N ATOM 0 H ARG A 62 8.286 17.442 11.758 1.00 0.00 H new ATOM 0 HA ARG A 62 10.056 15.262 11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.579 15.234 11.509 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.856 15.922 9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.254 13.933 9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.952 13.243 10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.830 13.852 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.446 12.262 9.184 1.00 0.00 H new ATOM 0 HE ARG A 62 6.088 13.946 11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.148 10.874 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.924 10.141 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.570 13.003 12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.029 11.349 12.223 1.00 0.00 H new ATOM 1068 N GLU A 67 14.062 15.124 3.190 1.00 0.00 N ATOM 1069 CA GLU A 67 12.964 14.417 2.553 1.00 0.00 C ATOM 1070 C GLU A 67 12.626 13.180 3.394 1.00 0.00 C ATOM 1071 O GLU A 67 13.523 12.404 3.719 1.00 0.00 O ATOM 1072 CB GLU A 67 13.357 14.010 1.126 1.00 0.00 C ATOM 1073 CG GLU A 67 13.925 15.162 0.289 1.00 0.00 C ATOM 1074 CD GLU A 67 14.037 14.767 -1.182 1.00 0.00 C ATOM 1075 OE1 GLU A 67 12.989 14.834 -1.861 1.00 0.00 O ATOM 1076 OE2 GLU A 67 15.164 14.421 -1.598 1.00 0.00 O ATOM 0 HA GLU A 67 12.089 15.064 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.097 13.211 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.482 13.603 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.283 16.038 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.907 15.443 0.670 1.00 0.00 H new ATOM 1083 N VAL A 68 11.351 12.973 3.728 1.00 0.00 N ATOM 1084 CA VAL A 68 10.889 11.735 4.340 1.00 0.00 C ATOM 1085 C VAL A 68 10.736 10.694 3.229 1.00 0.00 C ATOM 1086 O VAL A 68 10.346 11.044 2.113 1.00 0.00 O ATOM 1087 CB VAL A 68 9.580 11.951 5.127 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.712 13.114 6.118 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.341 12.144 4.245 1.00 0.00 C ATOM 0 H VAL A 68 10.613 13.661 3.580 1.00 0.00 H new ATOM 0 HA VAL A 68 11.615 11.379 5.071 1.00 0.00 H new ATOM 0 HB VAL A 68 9.422 11.022 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.773 13.241 6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.511 12.899 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.945 14.030 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.464 12.289 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.480 13.018 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.197 11.261 3.622 1.00 0.00 H new ATOM 1099 N ASN A 69 11.059 9.428 3.514 1.00 0.00 N ATOM 1100 CA ASN A 69 10.915 8.338 2.550 1.00 0.00 C ATOM 1101 C ASN A 69 9.491 7.798 2.531 1.00 0.00 C ATOM 1102 O ASN A 69 8.706 8.091 3.431 1.00 0.00 O ATOM 1103 CB ASN A 69 11.937 7.220 2.802 1.00 0.00 C ATOM 1104 CG ASN A 69 11.574 6.338 3.995 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.626 5.559 3.940 1.00 0.00 O ATOM 1106 ND2 ASN A 69 12.330 6.440 5.083 1.00 0.00 N ATOM 0 H ASN A 69 11.427 9.133 4.419 1.00 0.00 H new ATOM 0 HA ASN A 69 11.123 8.749 1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.016 6.600 1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.918 7.663 2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.129 5.863 5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.111 7.095 5.101 1.00 0.00 H new ATOM 1113 N PHE A 70 9.181 6.980 1.520 1.00 0.00 N ATOM 1114 CA PHE A 70 7.893 6.316 1.360 1.00 0.00 C ATOM 1115 C PHE A 70 7.284 5.855 2.688 1.00 0.00 C ATOM 1116 O PHE A 70 6.198 6.305 3.040 1.00 0.00 O ATOM 1117 CB PHE A 70 8.009 5.160 0.360 1.00 0.00 C ATOM 1118 CG PHE A 70 6.698 4.444 0.086 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.638 5.135 -0.531 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.522 3.099 0.464 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.426 4.479 -0.804 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.307 2.444 0.198 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.257 3.133 -0.435 1.00 0.00 C ATOM 0 H PHE A 70 9.840 6.759 0.773 1.00 0.00 H new ATOM 0 HA PHE A 70 7.200 7.056 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.404 5.545 -0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.733 4.438 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.757 6.175 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.322 2.569 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.624 5.009 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.180 1.409 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.323 2.629 -0.637 1.00 0.00 H new ATOM 1133 N GLN A 71 7.955 4.996 3.462 1.00 0.00 N ATOM 1134 CA GLN A 71 7.342 4.480 4.683 1.00 0.00 C ATOM 1135 C GLN A 71 7.109 5.599 5.699 1.00 0.00 C ATOM 1136 O GLN A 71 6.142 5.551 6.451 1.00 0.00 O ATOM 1137 CB GLN A 71 8.155 3.330 5.297 1.00 0.00 C ATOM 1138 CG GLN A 71 7.308 2.511 6.296 1.00 0.00 C ATOM 1139 CD GLN A 71 6.178 1.746 5.608 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.383 1.187 4.535 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.981 1.704 6.192 1.00 0.00 N ATOM 0 H GLN A 71 8.896 4.653 3.270 1.00 0.00 H new ATOM 0 HA GLN A 71 6.371 4.070 4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.519 2.676 4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.031 3.733 5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.952 1.807 6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.887 3.180 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.832 2.176 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.214 1.200 5.747 1.00 0.00 H new ATOM 1150 N GLU A 72 7.967 6.620 5.730 1.00 0.00 N ATOM 1151 CA GLU A 72 7.769 7.754 6.620 1.00 0.00 C ATOM 1152 C GLU A 72 6.555 8.579 6.178 1.00 0.00 C ATOM 1153 O GLU A 72 5.760 8.997 7.019 1.00 0.00 O ATOM 1154 CB GLU A 72 9.049 8.587 6.713 1.00 0.00 C ATOM 1155 CG GLU A 72 10.189 7.813 7.389 1.00 0.00 C ATOM 1156 CD GLU A 72 9.889 7.493 8.851 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.543 8.447 9.583 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.002 6.300 9.206 1.00 0.00 O ATOM 0 H GLU A 72 8.803 6.681 5.148 1.00 0.00 H new ATOM 0 HA GLU A 72 7.553 7.391 7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.359 8.889 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.848 9.500 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.366 6.885 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.107 8.398 7.329 1.00 0.00 H new ATOM 1165 N TYR A 73 6.372 8.776 4.869 1.00 0.00 N ATOM 1166 CA TYR A 73 5.146 9.349 4.320 1.00 0.00 C ATOM 1167 C TYR A 73 3.945 8.509 4.773 1.00 0.00 C ATOM 1168 O TYR A 73 2.987 9.028 5.349 1.00 0.00 O ATOM 1169 CB TYR A 73 5.252 9.464 2.788 1.00 0.00 C ATOM 1170 CG TYR A 73 3.970 9.222 2.003 1.00 0.00 C ATOM 1171 CD1 TYR A 73 3.000 10.234 1.881 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.769 7.990 1.351 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.858 10.023 1.086 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.608 7.765 0.595 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.665 8.793 0.434 1.00 0.00 C ATOM 1176 OH TYR A 73 0.586 8.614 -0.380 1.00 0.00 O ATOM 0 H TYR A 73 7.070 8.542 4.163 1.00 0.00 H new ATOM 0 HA TYR A 73 4.999 10.361 4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.619 10.461 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.004 8.754 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.132 11.173 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.514 7.212 1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.127 10.810 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.440 6.801 0.137 1.00 0.00 H new ATOM 0 HH TYR A 73 0.769 7.886 -1.010 1.00 0.00 H new ATOM 1186 N ILE A 74 4.011 7.195 4.559 1.00 0.00 N ATOM 1187 CA ILE A 74 2.975 6.275 5.002 1.00 0.00 C ATOM 1188 C ILE A 74 2.764 6.400 6.518 1.00 0.00 C ATOM 1189 O ILE A 74 1.635 6.292 6.980 1.00 0.00 O ATOM 1190 CB ILE A 74 3.308 4.833 4.577 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.402 4.617 3.054 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.277 3.867 5.144 1.00 0.00 C ATOM 1193 CD1 ILE A 74 2.060 4.672 2.315 1.00 0.00 C ATOM 0 H ILE A 74 4.786 6.743 4.073 1.00 0.00 H new ATOM 0 HA ILE A 74 2.035 6.540 4.519 1.00 0.00 H new ATOM 0 HB ILE A 74 4.301 4.640 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.064 5.374 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.865 3.648 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.523 2.851 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.281 3.928 6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.288 4.130 4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.224 4.510 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.399 3.897 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.601 5.649 2.466 1.00 0.00 H new ATOM 1205 N THR A 75 3.816 6.637 7.305 1.00 0.00 N ATOM 1206 CA THR A 75 3.709 6.838 8.746 1.00 0.00 C ATOM 1207 C THR A 75 3.072 8.190 9.076 1.00 0.00 C ATOM 1208 O THR A 75 2.335 8.288 10.051 1.00 0.00 O ATOM 1209 CB THR A 75 5.073 6.643 9.426 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.555 5.350 9.127 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.983 6.754 10.951 1.00 0.00 C ATOM 0 H THR A 75 4.772 6.695 6.954 1.00 0.00 H new ATOM 0 HA THR A 75 3.040 6.078 9.151 1.00 0.00 H new ATOM 0 HB THR A 75 5.734 7.425 9.053 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.858 5.321 8.196 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.972 6.609 11.385 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.609 7.741 11.223 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.304 5.991 11.332 1.00 0.00 H new ATOM 1219 N PHE A 76 3.319 9.235 8.283 1.00 0.00 N ATOM 1220 CA PHE A 76 2.620 10.511 8.414 1.00 0.00 C ATOM 1221 C PHE A 76 1.113 10.273 8.243 1.00 0.00 C ATOM 1222 O PHE A 76 0.314 10.624 9.116 1.00 0.00 O ATOM 1223 CB PHE A 76 3.201 11.509 7.397 1.00 0.00 C ATOM 1224 CG PHE A 76 2.716 12.942 7.496 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.256 13.795 8.478 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.923 13.484 6.467 1.00 0.00 C ATOM 1227 CE1 PHE A 76 2.995 15.176 8.439 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.694 14.869 6.406 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.214 15.715 7.402 1.00 0.00 C ATOM 0 H PHE A 76 4.010 9.218 7.533 1.00 0.00 H new ATOM 0 HA PHE A 76 2.764 10.947 9.403 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.286 11.509 7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.978 11.143 6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.873 13.387 9.264 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.489 12.833 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.395 15.823 9.206 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.118 15.285 5.593 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.014 16.776 7.370 1.00 0.00 H new ATOM 1239 N LEU A 77 0.730 9.601 7.152 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.659 9.200 6.934 1.00 0.00 C ATOM 1241 C LEU A 77 -1.156 8.279 8.055 1.00 0.00 C ATOM 1242 O LEU A 77 -2.289 8.398 8.514 1.00 0.00 O ATOM 1243 CB LEU A 77 -0.822 8.509 5.574 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.422 9.362 4.360 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -0.756 8.570 3.092 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.140 10.717 4.326 1.00 0.00 C ATOM 0 H LEU A 77 1.367 9.324 6.405 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.265 10.106 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.223 7.598 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.863 8.207 5.459 1.00 0.00 H new ATOM 0 HG LEU A 77 0.645 9.575 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.481 9.155 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.200 7.632 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.825 8.358 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.819 11.277 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.217 10.557 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.895 11.281 5.226 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.316 7.348 8.500 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.633 6.398 9.549 1.00 0.00 C ATOM 1260 C GLY A 78 -0.979 7.126 10.843 1.00 0.00 C ATOM 1261 O GLY A 78 -1.980 6.823 11.484 1.00 0.00 O ATOM 0 H GLY A 78 0.627 7.235 8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.472 5.774 9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.215 5.734 9.714 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.152 8.101 11.219 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.370 8.945 12.377 1.00 0.00 C ATOM 1267 C ALA A 79 -1.675 9.719 12.211 1.00 0.00 C ATOM 1268 O ALA A 79 -2.496 9.730 13.122 1.00 0.00 O ATOM 1269 CB ALA A 79 0.828 9.878 12.571 1.00 0.00 C ATOM 0 H ALA A 79 0.704 8.325 10.712 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.460 8.332 13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.659 10.510 13.443 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.730 9.285 12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.949 10.504 11.687 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.886 10.348 11.051 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.126 11.064 10.762 1.00 0.00 C ATOM 1277 C LEU A 80 -4.332 10.161 11.048 1.00 0.00 C ATOM 1278 O LEU A 80 -5.187 10.457 11.893 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.105 11.522 9.293 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.367 12.288 8.880 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.209 13.763 9.234 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.608 12.142 7.378 1.00 0.00 C ATOM 0 H LEU A 80 -1.205 10.374 10.292 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.211 11.942 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.233 12.156 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.990 10.650 8.649 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.222 11.875 9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.107 14.306 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.059 13.865 10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.348 14.173 8.707 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.507 12.691 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.754 12.543 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.735 11.088 7.131 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.362 9.042 10.323 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.374 8.013 10.408 1.00 0.00 C ATOM 1296 C ALA A 81 -5.610 7.615 11.858 1.00 0.00 C ATOM 1297 O ALA A 81 -6.747 7.648 12.323 1.00 0.00 O ATOM 1298 CB ALA A 81 -4.910 6.808 9.587 1.00 0.00 C ATOM 0 H ALA A 81 -3.644 8.828 9.631 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.317 8.388 10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.662 6.021 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.770 7.107 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.967 6.436 9.988 1.00 0.00 H new ATOM 1304 N MET A 82 -4.542 7.227 12.554 1.00 0.00 N ATOM 1305 CA MET A 82 -4.607 6.701 13.906 1.00 0.00 C ATOM 1306 C MET A 82 -5.032 7.765 14.913 1.00 0.00 C ATOM 1307 O MET A 82 -5.713 7.434 15.881 1.00 0.00 O ATOM 1308 CB MET A 82 -3.270 6.040 14.257 1.00 0.00 C ATOM 1309 CG MET A 82 -3.253 5.432 15.666 1.00 0.00 C ATOM 1310 SD MET A 82 -2.148 4.012 15.878 1.00 0.00 S ATOM 1311 CE MET A 82 -0.587 4.724 15.319 1.00 0.00 C ATOM 0 H MET A 82 -3.593 7.272 12.182 1.00 0.00 H new ATOM 0 HA MET A 82 -5.383 5.937 13.957 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.055 5.259 13.528 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.473 6.780 14.177 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.963 6.207 16.376 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.267 5.126 15.925 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.222 4.017 15.503 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.646 4.938 14.252 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.393 5.648 15.864 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.654 9.032 14.713 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.113 10.075 15.613 1.00 0.00 C ATOM 1323 C ILE A 83 -6.621 10.253 15.440 1.00 0.00 C ATOM 1324 O ILE A 83 -7.343 10.129 16.430 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.318 11.383 15.472 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.872 11.215 15.973 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.993 12.478 16.315 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -2.008 12.432 15.613 1.00 0.00 C ATOM 0 H ILE A 83 -4.048 9.347 13.955 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.922 9.765 16.640 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.300 11.654 14.416 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.874 11.076 17.054 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.437 10.316 15.537 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.433 13.408 16.219 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.013 12.631 15.964 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.011 12.172 17.361 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.994 12.280 15.982 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.986 12.555 14.530 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.430 13.326 16.071 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.112 10.572 14.228 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.545 10.856 14.115 1.00 0.00 C ATOM 1342 C TYR A 84 -9.408 9.599 14.282 1.00 0.00 C ATOM 1343 O TYR A 84 -10.421 9.645 14.976 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.949 11.844 13.002 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.471 11.675 11.568 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.704 10.481 10.864 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.150 12.839 10.843 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.544 10.439 9.464 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -7.953 12.796 9.455 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.165 11.595 8.760 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.095 11.586 7.399 1.00 0.00 O ATOM 0 H TYR A 84 -6.573 10.636 13.365 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.794 11.462 14.986 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.039 11.857 12.972 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.628 12.834 13.327 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.007 9.592 11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.054 13.780 11.364 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.713 9.515 8.931 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.640 13.683 8.924 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.768 10.970 7.041 1.00 0.00 H new ATOM 1361 N ASN A 85 -8.991 8.446 13.747 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.642 7.177 14.074 1.00 0.00 C ATOM 1363 C ASN A 85 -9.059 6.696 15.399 1.00 0.00 C ATOM 1364 O ASN A 85 -8.392 5.662 15.444 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.451 6.103 12.995 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.970 6.521 11.629 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.122 6.284 11.285 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.099 7.123 10.831 1.00 0.00 N ATOM 0 H ASN A 85 -8.213 8.367 13.092 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.717 7.344 14.140 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.391 5.863 12.915 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.961 5.191 13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.379 7.407 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.149 7.302 11.156 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.320 7.451 16.472 1.00 0.00 N ATOM 1376 CA GLU A 86 -8.721 7.253 17.788 1.00 0.00 C ATOM 1377 C GLU A 86 -8.749 5.790 18.245 1.00 0.00 C ATOM 1378 O GLU A 86 -7.827 5.335 18.916 1.00 0.00 O ATOM 1379 CB GLU A 86 -9.344 8.218 18.805 1.00 0.00 C ATOM 1380 CG GLU A 86 -10.870 8.082 18.938 1.00 0.00 C ATOM 1381 CD GLU A 86 -11.458 9.104 19.909 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -10.710 9.544 20.811 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -12.659 9.409 19.746 1.00 0.00 O ATOM 0 H GLU A 86 -9.971 8.236 16.444 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.661 7.494 17.713 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.887 8.048 19.780 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.104 9.241 18.515 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.331 8.207 17.958 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.115 7.076 19.279 1.00 0.00 H new ATOM 1390 N ALA A 87 -9.788 5.051 17.843 1.00 0.00 N ATOM 1391 CA ALA A 87 -9.901 3.602 17.959 1.00 0.00 C ATOM 1392 C ALA A 87 -8.548 2.892 17.797 1.00 0.00 C ATOM 1393 O ALA A 87 -8.142 2.100 18.646 1.00 0.00 O ATOM 1394 CB ALA A 87 -10.876 3.129 16.874 1.00 0.00 C ATOM 0 H ALA A 87 -10.609 5.471 17.408 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.261 3.352 18.957 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.986 2.046 16.930 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.847 3.601 17.027 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.489 3.404 15.893 1.00 0.00 H new ATOM 1400 N LEU A 88 -7.835 3.197 16.708 1.00 0.00 N ATOM 1401 CA LEU A 88 -6.587 2.541 16.335 1.00 0.00 C ATOM 1402 C LEU A 88 -5.473 2.713 17.374 1.00 0.00 C ATOM 1403 O LEU A 88 -4.493 1.976 17.327 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.119 3.059 14.968 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.007 2.621 13.796 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.577 3.375 12.535 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -6.873 1.119 13.517 1.00 0.00 C ATOM 0 H LEU A 88 -8.119 3.923 16.050 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.796 1.472 16.284 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.084 4.148 14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.101 2.712 14.789 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.041 2.841 14.060 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.203 3.069 11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.686 4.447 12.697 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.535 3.146 12.312 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.516 0.845 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.837 0.886 13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.170 0.557 14.402 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.583 12.404 2.329 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.712 11.254 2.126 1.00 0.00 C ATOM 1471 C ALA B 2 -12.953 11.392 0.804 1.00 0.00 C ATOM 1472 O ALA B 2 -13.197 10.645 -0.146 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.503 9.946 2.213 1.00 0.00 C ATOM 0 HA ALA B 2 -12.971 11.224 2.925 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -13.830 9.103 2.058 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -14.965 9.865 3.197 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.278 9.938 1.446 1.00 0.00 H new ATOM 1479 N SER B 3 -12.030 12.357 0.756 1.00 0.00 N ATOM 1480 CA SER B 3 -11.108 12.575 -0.349 1.00 0.00 C ATOM 1481 C SER B 3 -10.381 11.271 -0.715 1.00 0.00 C ATOM 1482 O SER B 3 -10.293 10.387 0.136 1.00 0.00 O ATOM 1483 CB SER B 3 -10.086 13.617 0.112 1.00 0.00 C ATOM 1484 OG SER B 3 -10.699 14.634 0.884 1.00 0.00 O ATOM 0 H SER B 3 -11.905 13.028 1.514 1.00 0.00 H new ATOM 0 HA SER B 3 -11.652 12.915 -1.230 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.308 13.131 0.700 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.599 14.061 -0.756 1.00 0.00 H new ATOM 0 HG SER B 3 -10.061 15.363 1.031 1.00 0.00 H new ATOM 1490 N PRO B 4 -9.811 11.144 -1.928 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.131 9.931 -2.370 1.00 0.00 C ATOM 1492 C PRO B 4 -8.195 9.340 -1.314 1.00 0.00 C ATOM 1493 O PRO B 4 -8.291 8.154 -1.002 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.393 10.313 -3.656 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.280 11.417 -4.229 1.00 0.00 C ATOM 1496 CD PRO B 4 -9.779 12.147 -2.981 1.00 0.00 C ATOM 0 HA PRO B 4 -9.852 9.133 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.382 10.668 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.304 9.468 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.721 12.082 -4.888 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.105 11.009 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.116 12.971 -2.717 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.768 12.574 -3.146 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.318 10.165 -0.729 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.471 9.708 0.363 1.00 0.00 C ATOM 1506 C LEU B 5 -7.288 9.179 1.537 1.00 0.00 C ATOM 1507 O LEU B 5 -7.037 8.068 1.993 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.513 10.804 0.848 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.060 10.676 0.370 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.210 11.705 1.128 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.454 9.287 0.636 1.00 0.00 C ATOM 0 H LEU B 5 -7.182 11.140 -0.994 1.00 0.00 H new ATOM 0 HA LEU B 5 -5.877 8.888 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -5.900 11.770 0.522 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.519 10.810 1.938 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.061 10.840 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.172 11.630 0.802 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.584 12.708 0.922 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.269 11.508 2.198 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.426 9.263 0.274 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.467 9.083 1.707 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.039 8.529 0.115 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.238 9.965 2.052 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.000 9.570 3.232 1.00 0.00 C ATOM 1525 C ASP B 6 -9.719 8.246 2.972 1.00 0.00 C ATOM 1526 O ASP B 6 -9.775 7.382 3.840 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.016 10.641 3.638 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.708 10.240 4.937 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.022 10.302 5.984 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -11.899 9.871 4.860 1.00 0.00 O ATOM 0 H ASP B 6 -8.494 10.875 1.669 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.295 9.450 4.055 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.514 11.600 3.765 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.755 10.770 2.848 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.262 8.098 1.765 1.00 0.00 N ATOM 1536 CA GLN B 7 -10.958 6.907 1.319 1.00 0.00 C ATOM 1537 C GLN B 7 -10.000 5.712 1.269 1.00 0.00 C ATOM 1538 O GLN B 7 -10.297 4.652 1.814 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.582 7.220 -0.045 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.619 6.180 -0.474 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.205 6.509 -1.843 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -13.282 5.649 -2.713 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.617 7.756 -2.060 1.00 0.00 N ATOM 0 H GLN B 7 -10.225 8.829 1.054 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.749 6.628 2.016 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.053 8.202 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -10.794 7.273 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -12.157 5.193 -0.502 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -13.419 6.136 0.265 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -13.542 8.454 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -14.007 8.014 -2.966 1.00 0.00 H new ATOM 1552 N ALA B 8 -8.847 5.874 0.618 1.00 0.00 N ATOM 1553 CA ALA B 8 -7.843 4.824 0.491 1.00 0.00 C ATOM 1554 C ALA B 8 -7.317 4.393 1.867 1.00 0.00 C ATOM 1555 O ALA B 8 -7.228 3.205 2.181 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.719 5.332 -0.407 1.00 0.00 C ATOM 0 H ALA B 8 -8.584 6.747 0.161 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.291 3.939 0.038 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.959 4.558 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.122 5.581 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.272 6.221 0.038 1.00 0.00 H new ATOM 1562 N ILE B 9 -6.997 5.374 2.713 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.682 5.163 4.118 1.00 0.00 C ATOM 1564 C ILE B 9 -7.819 4.361 4.757 1.00 0.00 C ATOM 1565 O ILE B 9 -7.578 3.313 5.347 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.441 6.528 4.797 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.085 7.098 4.340 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.495 6.424 6.325 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -4.904 8.573 4.713 1.00 0.00 C ATOM 0 H ILE B 9 -6.950 6.353 2.431 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.766 4.586 4.242 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.241 7.204 4.495 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.281 6.514 4.788 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -4.996 6.988 3.259 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.320 7.407 6.763 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.476 6.060 6.630 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.727 5.731 6.670 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -3.931 8.919 4.366 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.689 9.166 4.244 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -4.963 8.684 5.796 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.057 4.836 4.603 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.269 4.179 5.063 1.00 0.00 C ATOM 1583 C GLY B 10 -10.298 2.704 4.670 1.00 0.00 C ATOM 1584 O GLY B 10 -10.574 1.851 5.506 1.00 0.00 O ATOM 0 H GLY B 10 -9.243 5.723 4.136 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.342 4.268 6.147 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.138 4.684 4.643 1.00 0.00 H new ATOM 1588 N LEU B 11 -9.990 2.394 3.410 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.847 1.024 2.934 1.00 0.00 C ATOM 1590 C LEU B 11 -8.809 0.261 3.767 1.00 0.00 C ATOM 1591 O LEU B 11 -9.131 -0.787 4.326 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.530 1.028 1.427 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.808 0.988 0.573 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.648 1.810 -0.713 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.142 -0.468 0.226 1.00 0.00 C ATOM 0 H LEU B 11 -9.832 3.096 2.687 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.788 0.490 3.065 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -8.955 1.920 1.179 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -8.905 0.169 1.185 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.622 1.428 1.150 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.569 1.761 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.436 2.848 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.825 1.406 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.048 -0.499 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.316 -0.907 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.300 -1.034 1.144 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.575 0.767 3.883 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.534 0.084 4.663 1.00 0.00 C ATOM 1609 C LEU B 12 -6.970 -0.133 6.122 1.00 0.00 C ATOM 1610 O LEU B 12 -6.763 -1.218 6.672 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.181 0.818 4.566 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.320 0.322 3.388 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -4.985 0.587 2.040 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -2.953 1.013 3.391 1.00 0.00 C ATOM 0 H LEU B 12 -7.274 1.640 3.450 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.392 -0.904 4.225 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.359 1.888 4.456 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.630 0.681 5.497 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.204 -0.754 3.521 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.343 0.221 1.239 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.944 0.071 2.000 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.144 1.658 1.917 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.360 0.650 2.552 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.090 2.090 3.299 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.435 0.791 4.324 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.573 0.880 6.750 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.144 0.774 8.095 1.00 0.00 C ATOM 1628 C ILE B 13 -9.211 -0.324 8.145 1.00 0.00 C ATOM 1629 O ILE B 13 -9.174 -1.193 9.012 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.732 2.124 8.552 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.624 3.180 8.684 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.482 1.969 9.890 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.203 4.559 9.004 1.00 0.00 C ATOM 0 H ILE B 13 -7.679 1.806 6.335 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.342 0.504 8.782 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.442 2.457 7.795 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -6.929 2.884 9.470 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.054 3.229 7.756 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -9.888 2.934 10.193 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.296 1.254 9.770 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.793 1.609 10.654 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.393 5.283 9.091 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -8.878 4.864 8.205 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.751 4.514 9.945 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.187 -0.267 7.238 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.289 -1.211 7.186 1.00 0.00 C ATOM 1647 C GLY B 14 -10.743 -2.630 7.103 1.00 0.00 C ATOM 1648 O GLY B 14 -11.093 -3.485 7.913 1.00 0.00 O ATOM 0 H GLY B 14 -10.229 0.448 6.512 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.916 -1.103 8.071 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -11.920 -1.002 6.322 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.846 -2.858 6.143 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.149 -4.121 5.977 1.00 0.00 C ATOM 1654 C ILE B 15 -8.467 -4.534 7.288 1.00 0.00 C ATOM 1655 O ILE B 15 -8.626 -5.670 7.729 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.149 -4.002 4.815 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.850 -3.848 3.450 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.203 -5.203 4.825 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.370 -5.161 2.856 1.00 0.00 C ATOM 0 H ILE B 15 -9.584 -2.156 5.451 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.862 -4.907 5.730 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.569 -3.091 4.962 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.685 -3.157 3.560 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.152 -3.395 2.745 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.496 -5.116 4.000 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.659 -5.229 5.769 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.780 -6.121 4.713 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.848 -4.962 1.897 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.538 -5.849 2.710 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.095 -5.607 3.537 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.705 -3.624 7.908 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.041 -3.900 9.177 1.00 0.00 C ATOM 1673 C PHE B 16 -8.048 -4.439 10.188 1.00 0.00 C ATOM 1674 O PHE B 16 -7.911 -5.556 10.682 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.365 -2.630 9.712 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.589 -2.809 10.999 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.451 -3.630 11.020 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.955 -2.094 12.156 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.654 -3.706 12.174 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.149 -2.160 13.305 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.011 -2.982 13.321 1.00 0.00 C ATOM 0 H PHE B 16 -7.536 -2.686 7.544 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.272 -4.656 9.016 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.688 -2.248 8.948 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.129 -1.869 9.870 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.187 -4.206 10.145 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.854 -1.496 12.160 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.767 -4.322 12.178 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.405 -1.577 14.177 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.411 -3.057 14.216 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.080 -3.641 10.477 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.100 -3.980 11.454 1.00 0.00 C ATOM 1693 C HIS B 17 -10.735 -5.337 11.124 1.00 0.00 C ATOM 1694 O HIS B 17 -10.854 -6.194 12.002 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.121 -2.846 11.536 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.043 -2.952 12.725 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -11.680 -2.887 14.057 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.410 -2.991 12.666 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -12.819 -2.870 14.772 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -13.895 -2.942 13.974 1.00 0.00 N ATOM 0 H HIS B 17 -9.226 -2.735 10.031 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.650 -4.088 12.441 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.592 -1.894 11.580 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.717 -2.838 10.623 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -14.007 -3.049 11.768 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -12.862 -2.807 15.849 1.00 0.00 H new ATOM 0 HE2 HIS B 17 -14.872 -2.958 14.265 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.089 -5.537 9.849 1.00 0.00 N ATOM 1709 CA LYS B 18 -11.717 -6.745 9.322 1.00 0.00 C ATOM 1710 C LYS B 18 -10.962 -8.022 9.709 1.00 0.00 C ATOM 1711 O LYS B 18 -11.595 -9.069 9.834 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.876 -6.604 7.799 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.720 -7.708 7.148 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.714 -7.596 5.615 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.372 -6.312 5.095 1.00 0.00 C ATOM 1716 NZ LYS B 18 -13.417 -6.301 3.623 1.00 0.00 N ATOM 0 H LYS B 18 -10.938 -4.830 9.130 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.703 -6.849 9.776 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.331 -5.638 7.581 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.887 -6.601 7.341 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.334 -8.684 7.443 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.745 -7.647 7.514 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.685 -7.638 5.259 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -13.232 -8.457 5.193 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.383 -6.230 5.494 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.817 -5.444 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.867 -5.422 3.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.449 -6.356 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.967 -7.117 3.286 1.00 0.00 H new ATOM 1730 N TYR B 19 -9.641 -7.958 9.914 1.00 0.00 N ATOM 1731 CA TYR B 19 -8.870 -9.090 10.421 1.00 0.00 C ATOM 1732 C TYR B 19 -7.959 -8.634 11.560 1.00 0.00 C ATOM 1733 O TYR B 19 -6.791 -9.012 11.598 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.056 -9.732 9.285 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.858 -10.241 8.102 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -9.161 -9.370 7.039 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -9.222 -11.599 8.014 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.810 -9.856 5.893 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -9.906 -12.074 6.882 1.00 0.00 C ATOM 1740 CZ TYR B 19 -10.196 -11.204 5.818 1.00 0.00 C ATOM 1741 OH TYR B 19 -10.835 -11.679 4.713 1.00 0.00 O ATOM 0 H TYR B 19 -9.083 -7.124 9.733 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.555 -9.842 10.811 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.334 -9.000 8.922 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.486 -10.564 9.698 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.894 -8.326 7.105 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.975 -12.276 8.818 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -10.013 -9.191 5.067 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -10.209 -13.109 6.830 1.00 0.00 H new ATOM 0 HH TYR B 19 -10.524 -11.193 3.921 1.00 0.00 H new ATOM 1751 N SER B 20 -8.478 -7.827 12.490 1.00 0.00 N ATOM 1752 CA SER B 20 -7.646 -7.305 13.564 1.00 0.00 C ATOM 1753 C SER B 20 -7.508 -8.308 14.715 1.00 0.00 C ATOM 1754 O SER B 20 -6.754 -9.276 14.639 1.00 0.00 O ATOM 1755 CB SER B 20 -8.148 -5.938 14.033 1.00 0.00 C ATOM 1756 OG SER B 20 -9.509 -6.013 14.423 1.00 0.00 O ATOM 0 H SER B 20 -9.453 -7.528 12.517 1.00 0.00 H new ATOM 0 HA SER B 20 -6.641 -7.157 13.168 1.00 0.00 H new ATOM 0 HB2 SER B 20 -7.543 -5.590 14.870 1.00 0.00 H new ATOM 0 HB3 SER B 20 -8.033 -5.208 13.232 1.00 0.00 H new ATOM 0 HG SER B 20 -10.077 -6.047 13.625 1.00 0.00 H new ATOM 1847 N HIS B 27 -7.632 -3.677 17.160 1.00 0.00 N ATOM 1848 CA HIS B 27 -6.690 -2.641 16.757 1.00 0.00 C ATOM 1849 C HIS B 27 -5.246 -3.175 16.732 1.00 0.00 C ATOM 1850 O HIS B 27 -4.324 -2.425 16.422 1.00 0.00 O ATOM 1851 CB HIS B 27 -6.784 -1.462 17.734 1.00 0.00 C ATOM 1852 CG HIS B 27 -8.191 -1.039 18.066 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -8.822 -1.256 19.269 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -9.109 -0.499 17.206 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -10.092 -0.839 19.139 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -10.319 -0.378 17.898 1.00 0.00 N ATOM 0 HA HIS B 27 -6.948 -2.316 15.749 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.271 -1.730 18.658 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.252 -0.611 17.309 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -8.402 -1.660 20.106 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -8.931 -0.217 16.179 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.831 -0.870 19.926 1.00 0.00 H new ATOM 1864 N THR B 28 -5.040 -4.459 17.047 1.00 0.00 N ATOM 1865 CA THR B 28 -3.784 -5.177 16.875 1.00 0.00 C ATOM 1866 C THR B 28 -4.111 -6.462 16.115 1.00 0.00 C ATOM 1867 O THR B 28 -5.290 -6.777 15.947 1.00 0.00 O ATOM 1868 CB THR B 28 -3.155 -5.495 18.244 1.00 0.00 C ATOM 1869 OG1 THR B 28 -4.145 -5.894 19.170 1.00 0.00 O ATOM 1870 CG2 THR B 28 -2.394 -4.298 18.815 1.00 0.00 C ATOM 0 H THR B 28 -5.776 -5.044 17.444 1.00 0.00 H new ATOM 0 HA THR B 28 -3.061 -4.577 16.323 1.00 0.00 H new ATOM 0 HB THR B 28 -2.450 -6.310 18.083 1.00 0.00 H new ATOM 0 HG1 THR B 28 -3.725 -6.093 20.033 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.966 -4.566 19.781 1.00 0.00 H new ATOM 0 HG22 THR B 28 -1.595 -4.015 18.130 1.00 0.00 H new ATOM 0 HG23 THR B 28 -3.078 -3.459 18.941 1.00 0.00 H new ATOM 1878 N LEU B 29 -3.089 -7.192 15.655 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.251 -8.486 15.003 1.00 0.00 C ATOM 1880 C LEU B 29 -1.935 -9.262 15.068 1.00 0.00 C ATOM 1881 O LEU B 29 -1.024 -8.855 15.789 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.821 -8.308 13.587 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.063 -7.386 12.618 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -1.901 -8.088 11.919 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.028 -6.939 11.515 1.00 0.00 C ATOM 0 H LEU B 29 -2.117 -6.893 15.728 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.986 -9.093 15.531 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.888 -9.294 13.127 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.839 -7.930 13.681 1.00 0.00 H new ATOM 0 HG LEU B 29 -2.672 -6.557 13.209 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.404 -7.388 11.248 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.190 -8.444 12.664 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.279 -8.934 11.345 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.506 -6.283 10.818 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.400 -7.813 10.981 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -4.866 -6.402 11.960 1.00 0.00 H new ATOM 1897 N SER B 30 -1.810 -10.395 14.370 1.00 0.00 N ATOM 1898 CA SER B 30 -0.589 -11.190 14.382 1.00 0.00 C ATOM 1899 C SER B 30 -0.392 -11.931 13.054 1.00 0.00 C ATOM 1900 O SER B 30 -1.219 -11.841 12.146 1.00 0.00 O ATOM 1901 CB SER B 30 -0.628 -12.166 15.568 1.00 0.00 C ATOM 1902 OG SER B 30 -0.946 -11.489 16.767 1.00 0.00 O ATOM 0 H SER B 30 -2.551 -10.781 13.785 1.00 0.00 H new ATOM 0 HA SER B 30 0.266 -10.524 14.501 1.00 0.00 H new ATOM 0 HB2 SER B 30 -1.366 -12.945 15.379 1.00 0.00 H new ATOM 0 HB3 SER B 30 0.338 -12.660 15.670 1.00 0.00 H new ATOM 0 HG SER B 30 -0.967 -12.129 17.509 1.00 0.00 H new ATOM 1908 N LYS B 31 0.717 -12.670 12.959 1.00 0.00 N ATOM 1909 CA LYS B 31 1.140 -13.457 11.808 1.00 0.00 C ATOM 1910 C LYS B 31 -0.015 -14.139 11.070 1.00 0.00 C ATOM 1911 O LYS B 31 -0.169 -13.963 9.863 1.00 0.00 O ATOM 1912 CB LYS B 31 2.248 -14.451 12.212 1.00 0.00 C ATOM 1913 CG LYS B 31 2.021 -15.190 13.544 1.00 0.00 C ATOM 1914 CD LYS B 31 3.193 -16.141 13.823 1.00 0.00 C ATOM 1915 CE LYS B 31 2.950 -16.997 15.073 1.00 0.00 C ATOM 1916 NZ LYS B 31 2.944 -16.197 16.312 1.00 0.00 N ATOM 0 H LYS B 31 1.379 -12.736 13.732 1.00 0.00 H new ATOM 0 HA LYS B 31 1.555 -12.757 11.083 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.355 -15.191 11.419 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.193 -13.911 12.273 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.925 -14.470 14.357 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.088 -15.752 13.503 1.00 0.00 H new ATOM 0 HD2 LYS B 31 3.346 -16.791 12.962 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.108 -15.562 13.952 1.00 0.00 H new ATOM 0 HE2 LYS B 31 1.996 -17.516 14.975 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.723 -17.762 15.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.776 -16.821 17.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.862 -15.722 16.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.189 -15.484 16.261 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.845 -14.896 11.791 1.00 0.00 N ATOM 1931 CA LYS B 32 -2.007 -15.573 11.239 1.00 0.00 C ATOM 1932 C LYS B 32 -2.870 -14.593 10.438 1.00 0.00 C ATOM 1933 O LYS B 32 -3.233 -14.856 9.290 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.769 -16.193 12.419 1.00 0.00 C ATOM 1935 CG LYS B 32 -4.110 -16.821 12.025 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.844 -17.350 13.263 1.00 0.00 C ATOM 1937 CE LYS B 32 -4.199 -18.587 13.905 1.00 0.00 C ATOM 1938 NZ LYS B 32 -4.112 -19.718 12.964 1.00 0.00 N ATOM 0 H LYS B 32 -0.721 -15.055 12.791 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.716 -16.357 10.540 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.144 -16.955 12.884 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.945 -15.424 13.171 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.729 -16.081 11.517 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.943 -17.635 11.319 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.895 -16.555 14.007 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.870 -17.593 12.986 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -3.200 -18.332 14.258 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.779 -18.886 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -3.864 -20.584 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.030 -19.849 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -3.381 -19.521 12.251 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.192 -13.453 11.046 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.030 -12.450 10.427 1.00 0.00 C ATOM 1954 C GLU B 33 -3.309 -11.824 9.239 1.00 0.00 C ATOM 1955 O GLU B 33 -3.951 -11.566 8.232 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.438 -11.379 11.435 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.373 -11.906 12.538 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.699 -12.872 13.508 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.515 -12.624 13.827 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -5.367 -13.853 13.898 1.00 0.00 O ATOM 0 H GLU B 33 -2.874 -13.206 11.983 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.939 -12.935 10.069 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.542 -10.963 11.896 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.933 -10.563 10.908 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.770 -11.060 13.099 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -6.222 -12.407 12.073 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.998 -11.576 9.324 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.248 -11.067 8.173 1.00 0.00 C ATOM 1969 C LEU B 34 -1.313 -12.046 6.994 1.00 0.00 C ATOM 1970 O LEU B 34 -1.586 -11.642 5.860 1.00 0.00 O ATOM 1971 CB LEU B 34 0.199 -10.727 8.556 1.00 0.00 C ATOM 1972 CG LEU B 34 0.293 -9.473 9.442 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.703 -9.353 10.020 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.033 -8.184 8.674 1.00 0.00 C ATOM 0 H LEU B 34 -1.441 -11.717 10.167 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.720 -10.139 7.849 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.641 -11.573 9.081 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.785 -10.573 7.650 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.445 -9.590 10.236 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.765 -8.463 10.647 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.927 -10.235 10.619 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.424 -9.274 9.207 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.048 -7.330 9.346 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.669 -8.065 7.849 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.048 -8.241 8.281 1.00 0.00 H new ATOM 1986 N LYS B 35 -1.093 -13.337 7.256 1.00 0.00 N ATOM 1987 CA LYS B 35 -1.230 -14.367 6.236 1.00 0.00 C ATOM 1988 C LYS B 35 -2.639 -14.327 5.634 1.00 0.00 C ATOM 1989 O LYS B 35 -2.777 -14.246 4.413 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.882 -15.748 6.807 1.00 0.00 C ATOM 1991 CG LYS B 35 0.611 -15.858 7.153 1.00 0.00 C ATOM 1992 CD LYS B 35 0.909 -17.227 7.776 1.00 0.00 C ATOM 1993 CE LYS B 35 2.362 -17.332 8.258 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.328 -17.163 7.158 1.00 0.00 N ATOM 0 H LYS B 35 -0.818 -13.690 8.173 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.522 -14.170 5.431 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.478 -15.933 7.701 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -1.146 -16.519 6.083 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.212 -15.721 6.254 1.00 0.00 H new ATOM 0 HG3 LYS B 35 0.891 -15.065 7.847 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.235 -17.399 8.615 1.00 0.00 H new ATOM 0 HD3 LYS B 35 0.712 -18.010 7.044 1.00 0.00 H new ATOM 0 HE2 LYS B 35 2.546 -16.574 9.020 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.517 -18.302 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.009 -17.949 7.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 2.822 -17.157 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.836 -16.263 7.277 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.680 -14.346 6.476 1.00 0.00 N ATOM 2009 CA GLU B 36 -5.053 -14.224 5.998 1.00 0.00 C ATOM 2010 C GLU B 36 -5.243 -12.954 5.168 1.00 0.00 C ATOM 2011 O GLU B 36 -5.818 -13.012 4.093 1.00 0.00 O ATOM 2012 CB GLU B 36 -6.062 -14.250 7.150 1.00 0.00 C ATOM 2013 CG GLU B 36 -6.202 -15.646 7.766 1.00 0.00 C ATOM 2014 CD GLU B 36 -7.161 -15.632 8.953 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -8.278 -15.097 8.774 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.765 -16.154 10.016 1.00 0.00 O ATOM 0 H GLU B 36 -3.593 -14.445 7.487 1.00 0.00 H new ATOM 0 HA GLU B 36 -5.240 -15.089 5.362 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.750 -13.545 7.920 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -7.034 -13.916 6.787 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.563 -16.345 7.011 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -5.224 -16.003 8.089 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.786 -11.801 5.651 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.936 -10.530 4.959 1.00 0.00 C ATOM 2025 C LEU B 37 -4.431 -10.660 3.526 1.00 0.00 C ATOM 2026 O LEU B 37 -5.173 -10.381 2.588 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.204 -9.417 5.725 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.054 -8.874 6.883 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.174 -8.179 7.928 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.053 -7.852 6.339 1.00 0.00 C ATOM 0 H LEU B 37 -4.297 -11.726 6.543 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.991 -10.258 4.919 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.261 -9.802 6.114 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.959 -8.605 5.041 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.571 -9.712 7.350 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -4.799 -7.803 8.738 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.452 -8.891 8.327 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.644 -7.348 7.463 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.659 -7.464 7.158 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.513 -7.031 5.866 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.700 -8.331 5.604 1.00 0.00 H new ATOM 2042 N ILE B 38 -3.195 -11.130 3.348 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.677 -11.395 2.012 1.00 0.00 C ATOM 2044 C ILE B 38 -3.589 -12.390 1.274 1.00 0.00 C ATOM 2045 O ILE B 38 -4.109 -12.072 0.206 1.00 0.00 O ATOM 2046 CB ILE B 38 -1.189 -11.807 2.096 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.259 -10.596 1.905 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.813 -12.862 1.051 1.00 0.00 C ATOM 2049 CD1 ILE B 38 -0.542 -9.444 2.875 1.00 0.00 C ATOM 0 H ILE B 38 -2.543 -11.332 4.106 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.694 -10.490 1.404 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.059 -12.229 3.092 1.00 0.00 H new ATOM 0 HG12 ILE B 38 0.774 -10.919 2.030 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.357 -10.231 0.883 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.242 -13.116 1.154 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.418 -13.756 1.203 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.995 -12.466 0.052 1.00 0.00 H new ATOM 0 HD11 ILE B 38 0.152 -8.626 2.681 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -1.564 -9.093 2.735 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -0.415 -9.792 3.900 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.790 -13.585 1.836 1.00 0.00 N ATOM 2062 CA GLN B 39 -4.491 -14.682 1.173 1.00 0.00 C ATOM 2063 C GLN B 39 -5.874 -14.257 0.664 1.00 0.00 C ATOM 2064 O GLN B 39 -6.258 -14.576 -0.458 1.00 0.00 O ATOM 2065 CB GLN B 39 -4.606 -15.853 2.158 1.00 0.00 C ATOM 2066 CG GLN B 39 -5.199 -17.112 1.509 1.00 0.00 C ATOM 2067 CD GLN B 39 -5.389 -18.244 2.517 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -5.275 -18.052 3.722 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -5.699 -19.443 2.031 1.00 0.00 N ATOM 0 H GLN B 39 -3.466 -13.818 2.775 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.920 -14.986 0.296 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.619 -16.085 2.558 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -5.230 -15.555 3.001 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -6.159 -16.867 1.055 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -4.543 -17.449 0.706 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -5.788 -19.578 1.024 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -5.848 -20.228 2.666 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.637 -13.593 1.528 1.00 0.00 N ATOM 2079 CA LYS B 40 -8.020 -13.221 1.307 1.00 0.00 C ATOM 2080 C LYS B 40 -8.096 -11.931 0.487 1.00 0.00 C ATOM 2081 O LYS B 40 -8.852 -11.858 -0.479 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.724 -13.014 2.660 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.602 -14.133 3.714 1.00 0.00 C ATOM 2084 CD LYS B 40 -9.576 -15.303 3.568 1.00 0.00 C ATOM 2085 CE LYS B 40 -8.973 -16.415 2.704 1.00 0.00 C ATOM 2086 NZ LYS B 40 -9.896 -17.555 2.573 1.00 0.00 N ATOM 0 H LYS B 40 -6.288 -13.290 2.437 1.00 0.00 H new ATOM 0 HA LYS B 40 -8.516 -14.021 0.757 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -8.338 -12.095 3.101 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.784 -12.853 2.464 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.586 -14.526 3.681 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -8.741 -13.692 4.701 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -9.826 -15.698 4.553 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -10.506 -14.953 3.120 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.736 -16.022 1.716 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.036 -16.753 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.458 -18.290 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -10.102 -17.945 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -10.781 -17.236 2.129 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.344 -10.899 0.893 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.508 -9.549 0.369 1.00 0.00 C ATOM 2102 C GLU B 41 -6.506 -9.168 -0.722 1.00 0.00 C ATOM 2103 O GLU B 41 -6.629 -8.060 -1.236 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.486 -8.523 1.513 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.437 -8.861 2.670 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.894 -8.966 2.227 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.353 -8.024 1.544 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.530 -9.975 2.605 1.00 0.00 O ATOM 0 H GLU B 41 -6.607 -10.983 1.593 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.483 -9.537 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.470 -8.448 1.901 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.749 -7.543 1.114 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.131 -9.804 3.122 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.351 -8.095 3.441 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.543 -10.021 -1.093 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.703 -9.802 -2.270 1.00 0.00 C ATOM 2117 C LEU B 42 -4.754 -11.021 -3.189 1.00 0.00 C ATOM 2118 O LEU B 42 -3.915 -11.918 -3.113 1.00 0.00 O ATOM 2119 CB LEU B 42 -3.259 -9.429 -1.889 1.00 0.00 C ATOM 2120 CG LEU B 42 -3.138 -7.993 -1.348 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.722 -7.760 -0.818 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.404 -6.944 -2.435 1.00 0.00 C ATOM 0 H LEU B 42 -5.327 -10.879 -0.585 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.103 -8.948 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.894 -10.128 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.617 -9.539 -2.763 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.883 -7.886 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.639 -6.743 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.513 -8.467 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.003 -7.904 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.308 -5.946 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.681 -7.065 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.412 -7.075 -2.828 1.00 0.00 H new ATOM 2243 N ASP B 50 8.141 -11.893 -6.105 1.00 0.00 N ATOM 2244 CA ASP B 50 8.693 -12.406 -4.850 1.00 0.00 C ATOM 2245 C ASP B 50 8.221 -11.677 -3.592 1.00 0.00 C ATOM 2246 O ASP B 50 8.017 -12.319 -2.565 1.00 0.00 O ATOM 2247 CB ASP B 50 10.226 -12.376 -4.892 1.00 0.00 C ATOM 2248 CG ASP B 50 10.798 -13.176 -6.059 1.00 0.00 C ATOM 2249 OD1 ASP B 50 10.541 -12.754 -7.208 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.469 -14.193 -5.783 1.00 0.00 O ATOM 0 HA ASP B 50 8.315 -13.426 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.563 -11.342 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.619 -12.774 -3.956 1.00 0.00 H new ATOM 2255 N ALA B 51 8.088 -10.349 -3.661 1.00 0.00 N ATOM 2256 CA ALA B 51 7.685 -9.473 -2.567 1.00 0.00 C ATOM 2257 C ALA B 51 6.753 -10.145 -1.559 1.00 0.00 C ATOM 2258 O ALA B 51 7.085 -10.249 -0.381 1.00 0.00 O ATOM 2259 CB ALA B 51 6.998 -8.243 -3.156 1.00 0.00 C ATOM 0 H ALA B 51 8.268 -9.836 -4.524 1.00 0.00 H new ATOM 0 HA ALA B 51 8.587 -9.203 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.690 -7.577 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.691 -7.719 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.122 -8.553 -3.725 1.00 0.00 H new ATOM 2265 N GLU B 52 5.582 -10.597 -2.017 1.00 0.00 N ATOM 2266 CA GLU B 52 4.564 -11.139 -1.127 1.00 0.00 C ATOM 2267 C GLU B 52 4.997 -12.467 -0.514 1.00 0.00 C ATOM 2268 O GLU B 52 4.670 -12.761 0.632 1.00 0.00 O ATOM 2269 CB GLU B 52 3.230 -11.261 -1.875 1.00 0.00 C ATOM 2270 CG GLU B 52 2.073 -11.437 -0.888 1.00 0.00 C ATOM 2271 CD GLU B 52 0.744 -11.514 -1.622 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.182 -10.432 -1.901 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.327 -12.658 -1.896 1.00 0.00 O ATOM 0 H GLU B 52 5.320 -10.596 -3.003 1.00 0.00 H new ATOM 0 HA GLU B 52 4.429 -10.448 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU B 52 3.065 -10.371 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.266 -12.110 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.223 -12.344 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU B 52 2.058 -10.603 -0.186 1.00 0.00 H new ATOM 2280 N ILE B 53 5.736 -13.268 -1.275 1.00 0.00 N ATOM 2281 CA ILE B 53 6.201 -14.572 -0.848 1.00 0.00 C ATOM 2282 C ILE B 53 7.181 -14.322 0.303 1.00 0.00 C ATOM 2283 O ILE B 53 7.021 -14.838 1.409 1.00 0.00 O ATOM 2284 CB ILE B 53 6.849 -15.308 -2.041 1.00 0.00 C ATOM 2285 CG1 ILE B 53 5.921 -15.517 -3.259 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.346 -16.688 -1.586 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.364 -14.254 -3.937 1.00 0.00 C ATOM 0 H ILE B 53 6.030 -13.020 -2.220 1.00 0.00 H new ATOM 0 HA ILE B 53 5.392 -15.215 -0.502 1.00 0.00 H new ATOM 0 HB ILE B 53 7.661 -14.658 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE B 53 6.468 -16.090 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.078 -16.131 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE B 53 7.803 -17.206 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.083 -16.566 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.505 -17.273 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE B 53 4.729 -14.541 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE B 53 4.778 -13.683 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.190 -13.642 -4.300 1.00 0.00 H new ATOM 2299 N VAL B 54 8.162 -13.454 0.045 1.00 0.00 N ATOM 2300 CA VAL B 54 9.124 -13.007 1.037 1.00 0.00 C ATOM 2301 C VAL B 54 8.396 -12.445 2.259 1.00 0.00 C ATOM 2302 O VAL B 54 8.751 -12.787 3.382 1.00 0.00 O ATOM 2303 CB VAL B 54 10.101 -12.000 0.402 1.00 0.00 C ATOM 2304 CG1 VAL B 54 11.053 -11.397 1.444 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.935 -12.703 -0.677 1.00 0.00 C ATOM 0 H VAL B 54 8.307 -13.039 -0.876 1.00 0.00 H new ATOM 0 HA VAL B 54 9.720 -13.850 1.387 1.00 0.00 H new ATOM 0 HB VAL B 54 9.508 -11.195 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.726 -10.692 0.957 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.474 -10.878 2.208 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.635 -12.193 1.908 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.626 -11.989 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.499 -13.520 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.273 -13.100 -1.447 1.00 0.00 H new ATOM 2315 N LYS B 55 7.372 -11.607 2.062 1.00 0.00 N ATOM 2316 CA LYS B 55 6.585 -11.070 3.165 1.00 0.00 C ATOM 2317 C LYS B 55 5.973 -12.197 3.999 1.00 0.00 C ATOM 2318 O LYS B 55 6.114 -12.208 5.220 1.00 0.00 O ATOM 2319 CB LYS B 55 5.511 -10.090 2.655 1.00 0.00 C ATOM 2320 CG LYS B 55 5.466 -8.789 3.468 1.00 0.00 C ATOM 2321 CD LYS B 55 6.409 -7.709 2.924 1.00 0.00 C ATOM 2322 CE LYS B 55 7.893 -8.081 3.016 1.00 0.00 C ATOM 2323 NZ LYS B 55 8.748 -6.953 2.616 1.00 0.00 N ATOM 0 H LYS B 55 7.072 -11.288 1.141 1.00 0.00 H new ATOM 0 HA LYS B 55 7.254 -10.507 3.816 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.707 -9.854 1.609 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.535 -10.573 2.695 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.446 -8.405 3.472 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.729 -9.005 4.504 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.157 -7.511 1.882 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.241 -6.783 3.474 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.134 -8.380 4.036 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.096 -8.940 2.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 9.644 -7.316 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 8.262 -6.390 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 8.943 -6.355 3.444 1.00 0.00 H new ATOM 2337 N LEU B 56 5.302 -13.151 3.347 1.00 0.00 N ATOM 2338 CA LEU B 56 4.693 -14.296 4.013 1.00 0.00 C ATOM 2339 C LEU B 56 5.724 -15.076 4.830 1.00 0.00 C ATOM 2340 O LEU B 56 5.405 -15.522 5.930 1.00 0.00 O ATOM 2341 CB LEU B 56 3.992 -15.209 2.995 1.00 0.00 C ATOM 2342 CG LEU B 56 2.675 -14.634 2.448 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.273 -15.421 1.196 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.547 -14.729 3.484 1.00 0.00 C ATOM 0 H LEU B 56 5.168 -13.146 2.336 1.00 0.00 H new ATOM 0 HA LEU B 56 3.941 -13.919 4.706 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.670 -15.396 2.162 1.00 0.00 H new ATOM 0 HB3 LEU B 56 3.790 -16.172 3.464 1.00 0.00 H new ATOM 0 HG LEU B 56 2.831 -13.582 2.211 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.340 -15.022 0.799 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.056 -15.331 0.443 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.137 -16.471 1.454 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.631 -14.314 3.064 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.383 -15.774 3.749 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.824 -14.167 4.376 1.00 0.00 H new ATOM 2356 N MET B 57 6.948 -15.253 4.321 1.00 0.00 N ATOM 2357 CA MET B 57 8.006 -15.878 5.107 1.00 0.00 C ATOM 2358 C MET B 57 8.368 -14.958 6.284 1.00 0.00 C ATOM 2359 O MET B 57 8.159 -15.310 7.446 1.00 0.00 O ATOM 2360 CB MET B 57 9.238 -16.179 4.236 1.00 0.00 C ATOM 2361 CG MET B 57 9.251 -17.564 3.565 1.00 0.00 C ATOM 2362 SD MET B 57 8.508 -17.762 1.921 1.00 0.00 S ATOM 2363 CE MET B 57 6.749 -17.951 2.285 1.00 0.00 C ATOM 0 H MET B 57 7.224 -14.975 3.379 1.00 0.00 H new ATOM 0 HA MET B 57 7.649 -16.832 5.496 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.307 -15.417 3.459 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.131 -16.086 4.855 1.00 0.00 H new ATOM 0 HG2 MET B 57 10.291 -17.884 3.495 1.00 0.00 H new ATOM 0 HG3 MET B 57 8.748 -18.259 4.238 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.435 -18.967 2.044 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.574 -17.758 3.343 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.176 -17.242 1.687 1.00 0.00 H new ATOM 2373 N ASP B 58 8.907 -13.776 5.965 1.00 0.00 N ATOM 2374 CA ASP B 58 9.369 -12.747 6.897 1.00 0.00 C ATOM 2375 C ASP B 58 8.425 -12.588 8.084 1.00 0.00 C ATOM 2376 O ASP B 58 8.874 -12.486 9.224 1.00 0.00 O ATOM 2377 CB ASP B 58 9.509 -11.412 6.154 1.00 0.00 C ATOM 2378 CG ASP B 58 9.823 -10.260 7.103 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.883 -10.335 7.759 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.994 -9.323 7.157 1.00 0.00 O ATOM 0 H ASP B 58 9.039 -13.498 4.993 1.00 0.00 H new ATOM 0 HA ASP B 58 10.337 -13.058 7.290 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.300 -11.493 5.408 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.585 -11.198 5.617 1.00 0.00 H new ATOM 2385 N ASP B 59 7.121 -12.600 7.808 1.00 0.00 N ATOM 2386 CA ASP B 59 6.043 -12.508 8.776 1.00 0.00 C ATOM 2387 C ASP B 59 6.342 -13.276 10.065 1.00 0.00 C ATOM 2388 O ASP B 59 6.174 -12.734 11.159 1.00 0.00 O ATOM 2389 CB ASP B 59 4.784 -13.089 8.124 1.00 0.00 C ATOM 2390 CG ASP B 59 3.569 -12.958 9.021 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.358 -11.833 9.517 1.00 0.00 O ATOM 2392 OD2 ASP B 59 2.878 -13.983 9.191 1.00 0.00 O ATOM 0 H ASP B 59 6.777 -12.678 6.851 1.00 0.00 H new ATOM 0 HA ASP B 59 5.914 -11.462 9.053 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.595 -12.577 7.180 1.00 0.00 H new ATOM 0 HB3 ASP B 59 4.950 -14.140 7.889 1.00 0.00 H new ATOM 2397 N LEU B 60 6.783 -14.534 9.948 1.00 0.00 N ATOM 2398 CA LEU B 60 7.015 -15.362 11.124 1.00 0.00 C ATOM 2399 C LEU B 60 8.119 -14.766 12.000 1.00 0.00 C ATOM 2400 O LEU B 60 7.977 -14.716 13.220 1.00 0.00 O ATOM 2401 CB LEU B 60 7.247 -16.831 10.732 1.00 0.00 C ATOM 2402 CG LEU B 60 8.611 -17.147 10.088 1.00 0.00 C ATOM 2403 CD1 LEU B 60 9.630 -17.629 11.130 1.00 0.00 C ATOM 2404 CD2 LEU B 60 8.445 -18.244 9.031 1.00 0.00 C ATOM 0 H LEU B 60 6.983 -14.992 9.059 1.00 0.00 H new ATOM 0 HA LEU B 60 6.116 -15.365 11.741 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.137 -17.447 11.624 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.461 -17.131 10.039 1.00 0.00 H new ATOM 0 HG LEU B 60 8.979 -16.227 9.634 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.579 -17.842 10.639 1.00 0.00 H new ATOM 0 HD12 LEU B 60 9.776 -16.853 11.882 1.00 0.00 H new ATOM 0 HD13 LEU B 60 9.259 -18.534 11.610 1.00 0.00 H new ATOM 0 HD21 LEU B 60 9.412 -18.463 8.579 1.00 0.00 H new ATOM 0 HD22 LEU B 60 8.051 -19.145 9.501 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.753 -17.905 8.260 1.00 0.00 H new ATOM 2416 N ASP B 61 9.197 -14.283 11.376 1.00 0.00 N ATOM 2417 CA ASP B 61 10.342 -13.704 12.067 1.00 0.00 C ATOM 2418 C ASP B 61 9.987 -12.323 12.613 1.00 0.00 C ATOM 2419 O ASP B 61 10.410 -11.955 13.705 1.00 0.00 O ATOM 2420 CB ASP B 61 11.537 -13.619 11.113 1.00 0.00 C ATOM 2421 CG ASP B 61 12.744 -12.998 11.809 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.348 -13.712 12.638 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.036 -11.823 11.501 1.00 0.00 O ATOM 0 H ASP B 61 9.296 -14.285 10.361 1.00 0.00 H new ATOM 0 HA ASP B 61 10.612 -14.343 12.907 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.792 -14.616 10.753 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.269 -13.024 10.240 1.00 0.00 H new ATOM 2428 N ARG B 62 9.201 -11.561 11.851 1.00 0.00 N ATOM 2429 CA ARG B 62 8.691 -10.269 12.273 1.00 0.00 C ATOM 2430 C ARG B 62 7.877 -10.433 13.561 1.00 0.00 C ATOM 2431 O ARG B 62 8.063 -9.682 14.515 1.00 0.00 O ATOM 2432 CB ARG B 62 7.857 -9.661 11.135 1.00 0.00 C ATOM 2433 CG ARG B 62 7.434 -8.222 11.451 1.00 0.00 C ATOM 2434 CD ARG B 62 6.547 -7.613 10.358 1.00 0.00 C ATOM 2435 NE ARG B 62 7.230 -7.584 9.055 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.142 -6.622 8.124 1.00 0.00 C ATOM 2437 NH1 ARG B 62 6.395 -5.529 8.311 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.811 -6.783 6.979 1.00 0.00 N ATOM 0 H ARG B 62 8.901 -11.832 10.915 1.00 0.00 H new ATOM 0 HA ARG B 62 9.512 -9.586 12.490 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.435 -9.676 10.211 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.971 -10.272 10.966 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.898 -8.205 12.400 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.324 -7.605 11.577 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.626 -8.190 10.273 1.00 0.00 H new ATOM 0 HD3 ARG B 62 6.263 -6.600 10.643 1.00 0.00 H new ATOM 0 HE ARG B 62 7.833 -8.377 8.837 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.873 -5.410 9.179 1.00 0.00 H new ATOM 0 HH12 ARG B 62 6.347 -4.814 7.585 1.00 0.00 H new ATOM 0 HH21 ARG B 62 8.371 -7.622 6.829 1.00 0.00 H new ATOM 0 HH22 ARG B 62 7.761 -6.067 6.254 1.00 0.00 H new ATOM 2452 N ASN B 63 6.963 -11.406 13.580 1.00 0.00 N ATOM 2453 CA ASN B 63 6.045 -11.588 14.697 1.00 0.00 C ATOM 2454 C ASN B 63 6.705 -12.353 15.837 1.00 0.00 C ATOM 2455 O ASN B 63 6.874 -11.818 16.934 1.00 0.00 O ATOM 2456 CB ASN B 63 4.786 -12.346 14.257 1.00 0.00 C ATOM 2457 CG ASN B 63 3.812 -11.468 13.488 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.745 -11.130 13.992 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.139 -11.144 12.244 1.00 0.00 N ATOM 0 H ASN B 63 6.842 -12.083 12.826 1.00 0.00 H new ATOM 0 HA ASN B 63 5.768 -10.593 15.045 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.075 -13.192 13.634 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.286 -12.753 15.136 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.495 -10.597 11.673 1.00 0.00 H new ATOM 0 HD22 ASN B 63 5.035 -11.442 11.858 1.00 0.00 H new ATOM 2517 N GLU B 67 2.338 -9.500 18.956 1.00 0.00 N ATOM 2518 CA GLU B 67 1.161 -8.960 18.296 1.00 0.00 C ATOM 2519 C GLU B 67 1.507 -7.609 17.667 1.00 0.00 C ATOM 2520 O GLU B 67 2.015 -6.723 18.352 1.00 0.00 O ATOM 2521 CB GLU B 67 -0.007 -8.824 19.286 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.384 -10.148 19.976 1.00 0.00 C ATOM 2523 CD GLU B 67 0.317 -10.390 21.316 1.00 0.00 C ATOM 2524 OE1 GLU B 67 1.417 -9.827 21.514 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -0.270 -11.136 22.129 1.00 0.00 O ATOM 0 HA GLU B 67 0.845 -9.646 17.510 1.00 0.00 H new ATOM 0 HB2 GLU B 67 0.256 -8.089 20.047 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.878 -8.438 18.757 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -1.462 -10.165 20.136 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -0.149 -10.973 19.304 1.00 0.00 H new ATOM 2532 N VAL B 68 1.267 -7.470 16.364 1.00 0.00 N ATOM 2533 CA VAL B 68 1.591 -6.263 15.629 1.00 0.00 C ATOM 2534 C VAL B 68 0.444 -5.258 15.747 1.00 0.00 C ATOM 2535 O VAL B 68 -0.712 -5.627 15.975 1.00 0.00 O ATOM 2536 CB VAL B 68 1.933 -6.568 14.160 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.205 -7.406 14.012 1.00 0.00 C ATOM 2538 CG2 VAL B 68 0.791 -7.268 13.432 1.00 0.00 C ATOM 0 H VAL B 68 0.840 -8.199 15.792 1.00 0.00 H new ATOM 0 HA VAL B 68 2.484 -5.819 16.069 1.00 0.00 H new ATOM 0 HB VAL B 68 2.102 -5.594 13.702 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.398 -7.591 12.955 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.048 -6.868 14.446 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.076 -8.357 14.529 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.082 -7.461 12.399 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.567 -8.212 13.929 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.094 -6.632 13.447 1.00 0.00 H new ATOM 2548 N ASN B 69 0.788 -3.982 15.571 1.00 0.00 N ATOM 2549 CA ASN B 69 -0.108 -2.836 15.619 1.00 0.00 C ATOM 2550 C ASN B 69 -0.388 -2.302 14.213 1.00 0.00 C ATOM 2551 O ASN B 69 0.085 -2.850 13.216 1.00 0.00 O ATOM 2552 CB ASN B 69 0.471 -1.755 16.552 1.00 0.00 C ATOM 2553 CG ASN B 69 1.687 -1.000 15.999 1.00 0.00 C ATOM 2554 OD1 ASN B 69 1.813 -0.756 14.802 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.600 -0.596 16.877 1.00 0.00 N ATOM 0 H ASN B 69 1.753 -3.710 15.381 1.00 0.00 H new ATOM 0 HA ASN B 69 -1.068 -3.149 16.030 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.314 -1.033 16.777 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.752 -2.224 17.495 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.418 -0.076 16.559 1.00 0.00 H new ATOM 0 HD22 ASN B 69 2.482 -0.806 17.868 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.149 -1.206 14.153 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.529 -0.558 12.911 1.00 0.00 C ATOM 2564 C PHE B 70 -0.318 -0.242 12.030 1.00 0.00 C ATOM 2565 O PHE B 70 -0.213 -0.795 10.938 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.390 0.676 13.210 1.00 0.00 C ATOM 2567 CG PHE B 70 -2.907 1.389 11.975 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.716 0.702 11.049 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.613 2.749 11.771 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.218 1.370 9.919 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.127 3.419 10.648 1.00 0.00 C ATOM 2572 CZ PHE B 70 -3.920 2.728 9.716 1.00 0.00 C ATOM 0 H PHE B 70 -1.520 -0.743 14.983 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.134 -1.252 12.327 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.239 0.373 13.823 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -1.804 1.379 13.803 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.951 -0.340 11.208 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -1.992 3.279 12.478 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -4.833 0.840 9.207 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.912 4.467 10.501 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.300 3.240 8.845 1.00 0.00 H new ATOM 2582 N GLN B 71 0.612 0.619 12.464 1.00 0.00 N ATOM 2583 CA GLN B 71 1.715 0.994 11.580 1.00 0.00 C ATOM 2584 C GLN B 71 2.580 -0.218 11.224 1.00 0.00 C ATOM 2585 O GLN B 71 3.092 -0.277 10.114 1.00 0.00 O ATOM 2586 CB GLN B 71 2.541 2.186 12.085 1.00 0.00 C ATOM 2587 CG GLN B 71 3.667 2.611 11.106 1.00 0.00 C ATOM 2588 CD GLN B 71 3.232 2.873 9.659 1.00 0.00 C ATOM 2589 OE1 GLN B 71 3.855 2.399 8.711 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.165 3.642 9.465 1.00 0.00 N ATOM 0 H GLN B 71 0.623 1.053 13.387 1.00 0.00 H new ATOM 0 HA GLN B 71 1.256 1.352 10.658 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.877 3.034 12.254 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.983 1.931 13.048 1.00 0.00 H new ATOM 0 HG2 GLN B 71 4.137 3.515 11.493 1.00 0.00 H new ATOM 0 HG3 GLN B 71 4.430 1.833 11.100 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.661 4.026 10.264 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.850 3.848 8.517 1.00 0.00 H new ATOM 2599 N GLU B 72 2.738 -1.198 12.116 1.00 0.00 N ATOM 2600 CA GLU B 72 3.438 -2.430 11.765 1.00 0.00 C ATOM 2601 C GLU B 72 2.742 -3.133 10.590 1.00 0.00 C ATOM 2602 O GLU B 72 3.390 -3.475 9.601 1.00 0.00 O ATOM 2603 CB GLU B 72 3.525 -3.355 12.975 1.00 0.00 C ATOM 2604 CG GLU B 72 4.489 -2.832 14.042 1.00 0.00 C ATOM 2605 CD GLU B 72 4.439 -3.737 15.264 1.00 0.00 C ATOM 2606 OE1 GLU B 72 3.513 -3.522 16.075 1.00 0.00 O ATOM 2607 OE2 GLU B 72 5.277 -4.662 15.333 1.00 0.00 O ATOM 0 H GLU B 72 2.394 -1.162 13.076 1.00 0.00 H new ATOM 0 HA GLU B 72 4.451 -2.175 11.454 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.533 -3.472 13.412 1.00 0.00 H new ATOM 0 HB3 GLU B 72 3.849 -4.344 12.650 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.503 -2.797 13.644 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.221 -1.813 14.321 1.00 0.00 H new ATOM 2614 N TYR B 73 1.425 -3.334 10.676 1.00 0.00 N ATOM 2615 CA TYR B 73 0.643 -3.860 9.560 1.00 0.00 C ATOM 2616 C TYR B 73 0.872 -3.008 8.303 1.00 0.00 C ATOM 2617 O TYR B 73 1.192 -3.528 7.233 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.840 -3.941 9.958 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.838 -3.705 8.838 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.163 -4.736 7.937 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.481 -2.459 8.731 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.170 -4.534 6.975 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.447 -2.243 7.735 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.830 -3.297 6.893 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.868 -3.136 6.025 1.00 0.00 O ATOM 0 H TYR B 73 0.877 -3.138 11.514 1.00 0.00 H new ATOM 0 HA TYR B 73 0.971 -4.871 9.320 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -1.029 -4.926 10.386 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.026 -3.210 10.745 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.641 -5.680 7.984 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.231 -1.664 9.418 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.436 -5.332 6.298 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.894 -1.267 7.618 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.468 -2.437 6.359 1.00 0.00 H new ATOM 2635 N ILE B 74 0.748 -1.687 8.436 1.00 0.00 N ATOM 2636 CA ILE B 74 0.992 -0.756 7.343 1.00 0.00 C ATOM 2637 C ILE B 74 2.443 -0.857 6.840 1.00 0.00 C ATOM 2638 O ILE B 74 2.702 -0.574 5.675 1.00 0.00 O ATOM 2639 CB ILE B 74 0.628 0.674 7.775 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.841 0.886 8.187 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.977 1.676 6.684 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -1.836 0.819 7.025 1.00 0.00 C ATOM 0 H ILE B 74 0.475 -1.235 9.309 1.00 0.00 H new ATOM 0 HA ILE B 74 0.350 -1.024 6.504 1.00 0.00 H new ATOM 0 HB ILE B 74 1.226 0.838 8.671 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.112 0.132 8.926 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.933 1.857 8.674 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.710 2.680 7.013 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.047 1.633 6.480 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.424 1.433 5.776 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.846 0.978 7.402 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.595 1.591 6.295 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -1.776 -0.161 6.551 1.00 0.00 H new ATOM 2654 N THR B 75 3.400 -1.263 7.675 1.00 0.00 N ATOM 2655 CA THR B 75 4.775 -1.518 7.262 1.00 0.00 C ATOM 2656 C THR B 75 4.863 -2.848 6.521 1.00 0.00 C ATOM 2657 O THR B 75 5.646 -2.973 5.584 1.00 0.00 O ATOM 2658 CB THR B 75 5.732 -1.422 8.460 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.606 -0.147 9.054 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.196 -1.587 8.043 1.00 0.00 C ATOM 0 H THR B 75 3.237 -1.425 8.669 1.00 0.00 H new ATOM 0 HA THR B 75 5.094 -0.747 6.561 1.00 0.00 H new ATOM 0 HB THR B 75 5.465 -2.223 9.150 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.738 -0.080 9.503 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.836 -1.512 8.922 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.334 -2.562 7.576 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.462 -0.804 7.333 1.00 0.00 H new ATOM 2668 N PHE B 76 4.056 -3.844 6.897 1.00 0.00 N ATOM 2669 CA PHE B 76 3.924 -5.063 6.107 1.00 0.00 C ATOM 2670 C PHE B 76 3.474 -4.684 4.692 1.00 0.00 C ATOM 2671 O PHE B 76 4.181 -4.948 3.719 1.00 0.00 O ATOM 2672 CB PHE B 76 2.965 -6.049 6.795 1.00 0.00 C ATOM 2673 CG PHE B 76 3.149 -7.496 6.385 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.113 -8.284 7.038 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.309 -8.083 5.417 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.246 -9.647 6.725 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.427 -9.454 5.122 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.391 -10.237 5.779 1.00 0.00 C ATOM 0 H PHE B 76 3.486 -3.827 7.743 1.00 0.00 H new ATOM 0 HA PHE B 76 4.883 -5.576 6.031 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.097 -5.971 7.874 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.940 -5.751 6.577 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.755 -7.839 7.784 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.575 -7.481 4.902 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.005 -10.241 7.211 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.775 -9.905 4.389 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.475 -11.291 5.557 1.00 0.00 H new ATOM 2688 N LEU B 77 2.327 -4.004 4.583 1.00 0.00 N ATOM 2689 CA LEU B 77 1.794 -3.565 3.295 1.00 0.00 C ATOM 2690 C LEU B 77 2.744 -2.600 2.580 1.00 0.00 C ATOM 2691 O LEU B 77 2.902 -2.655 1.364 1.00 0.00 O ATOM 2692 CB LEU B 77 0.425 -2.899 3.469 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.664 -3.801 4.074 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -1.990 -3.037 4.002 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.809 -5.138 3.334 1.00 0.00 C ATOM 0 H LEU B 77 1.748 -3.745 5.382 1.00 0.00 H new ATOM 0 HA LEU B 77 1.687 -4.458 2.679 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.543 -2.021 4.104 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.084 -2.545 2.496 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.384 -4.039 5.100 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.786 -3.650 4.424 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.907 -2.110 4.569 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.222 -2.807 2.962 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.592 -5.732 3.806 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.073 -4.951 2.293 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.135 -5.682 3.377 1.00 0.00 H new ATOM 2707 N GLY B 78 3.360 -1.688 3.323 1.00 0.00 N ATOM 2708 CA GLY B 78 4.228 -0.663 2.779 1.00 0.00 C ATOM 2709 C GLY B 78 5.496 -1.281 2.201 1.00 0.00 C ATOM 2710 O GLY B 78 5.880 -0.973 1.078 1.00 0.00 O ATOM 0 H GLY B 78 3.265 -1.644 4.338 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.701 -0.108 2.002 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.489 0.051 3.560 1.00 0.00 H new ATOM 2714 N ALA B 79 6.138 -2.185 2.941 1.00 0.00 N ATOM 2715 CA ALA B 79 7.310 -2.897 2.459 1.00 0.00 C ATOM 2716 C ALA B 79 6.932 -3.800 1.280 1.00 0.00 C ATOM 2717 O ALA B 79 7.628 -3.823 0.267 1.00 0.00 O ATOM 2718 CB ALA B 79 7.943 -3.681 3.609 1.00 0.00 C ATOM 0 H ALA B 79 5.857 -2.440 3.888 1.00 0.00 H new ATOM 0 HA ALA B 79 8.052 -2.186 2.094 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.822 -4.214 3.246 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.238 -2.992 4.400 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.221 -4.397 4.002 1.00 0.00 H new ATOM 2724 N LEU B 80 5.816 -4.527 1.397 1.00 0.00 N ATOM 2725 CA LEU B 80 5.243 -5.310 0.305 1.00 0.00 C ATOM 2726 C LEU B 80 5.161 -4.459 -0.969 1.00 0.00 C ATOM 2727 O LEU B 80 5.727 -4.819 -2.006 1.00 0.00 O ATOM 2728 CB LEU B 80 3.865 -5.822 0.759 1.00 0.00 C ATOM 2729 CG LEU B 80 3.118 -6.646 -0.288 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.645 -8.075 -0.294 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.618 -6.684 0.015 1.00 0.00 C ATOM 0 H LEU B 80 5.282 -4.587 2.264 1.00 0.00 H new ATOM 0 HA LEU B 80 5.873 -6.167 0.065 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.994 -6.428 1.655 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.248 -4.968 1.038 1.00 0.00 H new ATOM 0 HG LEU B 80 3.278 -6.178 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU B 80 3.108 -8.658 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.709 -8.070 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.496 -8.522 0.689 1.00 0.00 H new ATOM 0 HD21 LEU B 80 1.108 -7.277 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.456 -7.133 0.995 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.220 -5.669 0.011 1.00 0.00 H new ATOM 2743 N ALA B 81 4.471 -3.320 -0.868 1.00 0.00 N ATOM 2744 CA ALA B 81 4.349 -2.336 -1.929 1.00 0.00 C ATOM 2745 C ALA B 81 5.724 -1.948 -2.462 1.00 0.00 C ATOM 2746 O ALA B 81 5.960 -2.054 -3.662 1.00 0.00 O ATOM 2747 CB ALA B 81 3.583 -1.112 -1.421 1.00 0.00 C ATOM 0 H ALA B 81 3.970 -3.056 -0.019 1.00 0.00 H new ATOM 0 HA ALA B 81 3.787 -2.772 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.496 -0.379 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.587 -1.415 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA B 81 4.119 -0.670 -0.582 1.00 0.00 H new ATOM 2753 N MET B 82 6.616 -1.506 -1.572 1.00 0.00 N ATOM 2754 CA MET B 82 7.957 -1.058 -1.911 1.00 0.00 C ATOM 2755 C MET B 82 8.682 -2.098 -2.765 1.00 0.00 C ATOM 2756 O MET B 82 9.284 -1.738 -3.773 1.00 0.00 O ATOM 2757 CB MET B 82 8.731 -0.711 -0.631 1.00 0.00 C ATOM 2758 CG MET B 82 9.984 0.122 -0.928 1.00 0.00 C ATOM 2759 SD MET B 82 11.127 0.317 0.467 1.00 0.00 S ATOM 2760 CE MET B 82 10.096 1.230 1.635 1.00 0.00 C ATOM 0 H MET B 82 6.415 -1.451 -0.574 1.00 0.00 H new ATOM 0 HA MET B 82 7.890 -0.153 -2.514 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.081 -0.159 0.048 1.00 0.00 H new ATOM 0 HB3 MET B 82 9.019 -1.630 -0.120 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.521 -0.341 -1.756 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.673 1.111 -1.263 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.684 1.487 2.516 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.732 2.143 1.163 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.248 0.612 1.932 1.00 0.00 H new ATOM 2770 N ILE B 83 8.641 -3.377 -2.373 1.00 0.00 N ATOM 2771 CA ILE B 83 9.289 -4.416 -3.161 1.00 0.00 C ATOM 2772 C ILE B 83 8.555 -4.620 -4.490 1.00 0.00 C ATOM 2773 O ILE B 83 9.187 -4.472 -5.534 1.00 0.00 O ATOM 2774 CB ILE B 83 9.493 -5.732 -2.385 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.322 -5.502 -1.108 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.240 -6.741 -3.280 1.00 0.00 C ATOM 2777 CD1 ILE B 83 10.528 -6.796 -0.310 1.00 0.00 C ATOM 0 H ILE B 83 8.173 -3.707 -1.529 1.00 0.00 H new ATOM 0 HA ILE B 83 10.297 -4.068 -3.386 1.00 0.00 H new ATOM 0 HB ILE B 83 8.512 -6.116 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.292 -5.085 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.821 -4.765 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.386 -7.673 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.653 -6.935 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.209 -6.330 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE B 83 11.118 -6.584 0.582 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.559 -7.200 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE B 83 11.053 -7.525 -0.928 1.00 0.00 H new ATOM 2789 N TYR B 84 7.268 -5.014 -4.498 1.00 0.00 N ATOM 2790 CA TYR B 84 6.671 -5.381 -5.786 1.00 0.00 C ATOM 2791 C TYR B 84 6.569 -4.180 -6.736 1.00 0.00 C ATOM 2792 O TYR B 84 6.990 -4.263 -7.891 1.00 0.00 O ATOM 2793 CB TYR B 84 5.440 -6.315 -5.733 1.00 0.00 C ATOM 2794 CG TYR B 84 4.308 -6.099 -4.744 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.663 -4.852 -4.654 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.654 -7.239 -4.233 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.402 -4.744 -4.042 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.411 -7.129 -3.592 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.770 -5.882 -3.521 1.00 0.00 C ATOM 2800 OH TYR B 84 0.535 -5.769 -2.956 1.00 0.00 O ATOM 0 H TYR B 84 6.659 -5.083 -3.683 1.00 0.00 H new ATOM 0 HA TYR B 84 7.389 -6.057 -6.249 1.00 0.00 H new ATOM 0 HB2 TYR B 84 4.995 -6.305 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR B 84 5.818 -7.323 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.140 -3.971 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.116 -8.210 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR B 84 1.918 -3.781 -3.973 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.948 -8.001 -3.154 1.00 0.00 H new ATOM 0 HH TYR B 84 0.041 -6.606 -3.079 1.00 0.00 H new ATOM 2810 N ASN B 85 6.125 -3.018 -6.250 1.00 0.00 N ATOM 2811 CA ASN B 85 6.208 -1.782 -7.020 1.00 0.00 C ATOM 2812 C ASN B 85 7.610 -1.212 -6.841 1.00 0.00 C ATOM 2813 O ASN B 85 7.777 -0.101 -6.345 1.00 0.00 O ATOM 2814 CB ASN B 85 5.123 -0.774 -6.615 1.00 0.00 C ATOM 2815 CG ASN B 85 3.739 -1.223 -7.062 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.365 -1.047 -8.216 1.00 0.00 O ATOM 2817 ND2 ASN B 85 2.957 -1.796 -6.154 1.00 0.00 N ATOM 0 H ASN B 85 5.705 -2.911 -5.327 1.00 0.00 H new ATOM 0 HA ASN B 85 6.027 -1.994 -8.074 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.132 -0.646 -5.533 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.349 0.198 -7.053 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.018 -2.103 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN B 85 3.295 -1.930 -5.201 1.00 0.00 H new ATOM 2824 N GLU B 86 8.613 -1.971 -7.294 1.00 0.00 N ATOM 2825 CA GLU B 86 10.027 -1.623 -7.226 1.00 0.00 C ATOM 2826 C GLU B 86 10.302 -0.207 -7.743 1.00 0.00 C ATOM 2827 O GLU B 86 11.208 0.461 -7.256 1.00 0.00 O ATOM 2828 CB GLU B 86 10.862 -2.694 -7.942 1.00 0.00 C ATOM 2829 CG GLU B 86 10.432 -2.964 -9.393 1.00 0.00 C ATOM 2830 CD GLU B 86 11.192 -4.156 -9.966 1.00 0.00 C ATOM 2831 OE1 GLU B 86 10.817 -5.293 -9.605 1.00 0.00 O ATOM 2832 OE2 GLU B 86 12.138 -3.908 -10.744 1.00 0.00 O ATOM 0 H GLU B 86 8.451 -2.877 -7.733 1.00 0.00 H new ATOM 0 HA GLU B 86 10.331 -1.608 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU B 86 11.908 -2.387 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU B 86 10.800 -3.624 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU B 86 9.360 -3.158 -9.430 1.00 0.00 H new ATOM 0 HG3 GLU B 86 10.618 -2.080 -10.003 1.00 0.00 H new ATOM 2839 N ALA B 87 9.484 0.261 -8.694 1.00 0.00 N ATOM 2840 CA ALA B 87 9.430 1.639 -9.171 1.00 0.00 C ATOM 2841 C ALA B 87 9.562 2.674 -8.043 1.00 0.00 C ATOM 2842 O ALA B 87 10.185 3.717 -8.231 1.00 0.00 O ATOM 2843 CB ALA B 87 8.104 1.841 -9.909 1.00 0.00 C ATOM 0 H ALA B 87 8.813 -0.342 -9.170 1.00 0.00 H new ATOM 0 HA ALA B 87 10.281 1.798 -9.834 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.043 2.866 -10.274 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.048 1.152 -10.752 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.275 1.649 -9.227 1.00 0.00 H new ATOM 2849 N LEU B 88 8.963 2.401 -6.878 1.00 0.00 N ATOM 2850 CA LEU B 88 9.056 3.253 -5.700 1.00 0.00 C ATOM 2851 C LEU B 88 10.508 3.554 -5.324 1.00 0.00 C ATOM 2852 O LEU B 88 10.798 4.676 -4.917 1.00 0.00 O ATOM 2853 CB LEU B 88 8.332 2.601 -4.513 1.00 0.00 C ATOM 2854 CG LEU B 88 6.805 2.760 -4.591 1.00 0.00 C ATOM 2855 CD1 LEU B 88 6.138 1.747 -3.658 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.380 4.176 -4.172 1.00 0.00 C ATOM 0 H LEU B 88 8.393 1.568 -6.731 1.00 0.00 H new ATOM 0 HA LEU B 88 8.574 4.200 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.582 1.541 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.693 3.044 -3.585 1.00 0.00 H new ATOM 0 HG LEU B 88 6.495 2.588 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU B 88 5.055 1.860 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.414 0.737 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.469 1.922 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.295 4.264 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.700 4.364 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 88 6.843 4.906 -4.836 1.00 0.00 H new