USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN :FLIP amide:sc= -0.0807 F(o=-0.82,f=-0.19) USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -0.104 X(o=-0.58,f=-0.19) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.198 K(o=0.4,f=-0.25) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.206 K(o=0.4,f=-0.25) USER MOD Set 3.1: A 28 SER OG : rot -93:sc= 1.51 USER MOD Set 3.2: A 47 TYR OH : rot -179:sc= -0.314 USER MOD Single : A 17 HIS : no HD1:sc=-0.00998 X(o=-0.01,f=-0.34) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 1.32 (180deg=0.84) USER MOD Single : A 25 GLN : amide:sc= 0.0278 X(o=0.028,f=-0.22) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.15) USER MOD Single : A 37 HIS : no HD1:sc= -1.01 K(o=-1,f=-3.3!) USER MOD Single : A 38 THR OG1 : rot -53:sc= 0.241 USER MOD Single : A 41 SER OG : rot -144:sc= 1.39 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.723) USER MOD Single : A 44 MET CE :methyl 170:sc= -0.578 (180deg=-0.714) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 73:sc= -2.88! USER MOD Single : A 51 GLN : amide:sc= -0.0541 X(o=-0.054,f=-0.076) USER MOD Single : A 54 SER OG : rot 180:sc= 0.276 USER MOD Single : A 55 MET CE :methyl 170:sc= -0.0583 (180deg=-0.375) USER MOD Single : A 65 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.47) USER MOD Single : A 68 ASN : amide:sc= 1.12 K(o=1.1,f=-0.045) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.86 USER MOD Single : A 75 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.88) USER MOD Single : A 78 MET CE :methyl 142:sc= -0.574 (180deg=-0.941) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : A 89 GLN : amide:sc= -0.156 K(o=-0.16,f=-1) USER MOD Single : A 90 GLN : amide:sc= -0.607 K(o=-0.61,f=-2.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.14 USER MOD Single : B 357 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 358 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.376 23.273 5.261 1.00 10.00 N ATOM 2 CA ASP A 16 -5.533 22.503 5.777 1.00 10.00 C ATOM 3 C ASP A 16 -5.293 21.015 5.583 1.00 10.00 C ATOM 4 O ASP A 16 -4.158 20.590 5.367 1.00 10.00 O ATOM 5 CB ASP A 16 -6.824 22.914 5.060 1.00 10.00 C ATOM 6 CG ASP A 16 -7.035 24.413 5.047 1.00 10.00 C ATOM 7 OD1 ASP A 16 -6.694 25.075 6.046 1.00 10.00 O ATOM 8 OD2 ASP A 16 -7.545 24.936 4.033 1.00 10.00 O ATOM 0 HA ASP A 16 -5.641 22.719 6.840 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -6.798 22.546 4.034 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.673 22.436 5.548 1.00 10.00 H new ATOM 13 N HIS A 17 -6.361 20.229 5.657 1.00 10.00 N ATOM 14 CA HIS A 17 -6.267 18.786 5.482 1.00 10.00 C ATOM 15 C HIS A 17 -7.145 18.339 4.325 1.00 10.00 C ATOM 16 O HIS A 17 -8.036 19.073 3.893 1.00 10.00 O ATOM 17 CB HIS A 17 -6.693 18.055 6.759 1.00 10.00 C ATOM 18 CG HIS A 17 -5.657 18.066 7.838 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.693 18.988 8.858 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.595 17.247 8.017 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.656 18.711 9.630 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.963 17.665 9.159 1.00 10.00 N ATOM 0 H HIS A 17 -7.305 20.569 5.838 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.228 18.538 5.265 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.606 18.513 7.141 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.934 17.021 6.511 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.302 16.423 7.383 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -4.400 19.258 10.526 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -3.124 17.257 9.572 1.00 10.00 H new ATOM 30 N ILE A 18 -6.895 17.142 3.824 1.00 10.00 N ATOM 31 CA ILE A 18 -7.671 16.601 2.725 1.00 10.00 C ATOM 32 C ILE A 18 -8.055 15.150 3.021 1.00 10.00 C ATOM 33 O ILE A 18 -7.206 14.331 3.377 1.00 10.00 O ATOM 34 CB ILE A 18 -6.899 16.713 1.384 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.760 16.221 0.220 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.581 15.952 1.438 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.178 16.548 -1.139 1.00 10.00 C ATOM 0 H ILE A 18 -6.157 16.525 4.163 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.584 17.188 2.623 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.669 17.766 1.221 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.887 15.142 0.302 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.752 16.665 0.299 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.065 16.050 0.483 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.957 16.362 2.232 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.777 14.899 1.638 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.840 16.170 -1.919 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.077 17.628 -1.241 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.198 16.081 -1.237 1.00 10.00 H new ATOM 49 N ASN A 19 -9.339 14.846 2.906 1.00 10.00 N ATOM 50 CA ASN A 19 -9.829 13.500 3.177 1.00 10.00 C ATOM 51 C ASN A 19 -9.743 12.637 1.928 1.00 10.00 C ATOM 52 O ASN A 19 -10.664 12.609 1.107 1.00 10.00 O ATOM 53 CB ASN A 19 -11.271 13.535 3.696 1.00 10.00 C ATOM 54 CG ASN A 19 -11.363 13.950 5.156 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.271 13.119 6.061 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.558 15.239 5.395 1.00 10.00 N ATOM 0 H ASN A 19 -10.061 15.511 2.627 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.196 13.063 3.949 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.854 14.228 3.089 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.720 12.549 3.574 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.637 15.573 6.355 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.629 15.897 4.619 1.00 10.00 H new ATOM 63 N LEU A 20 -8.620 11.956 1.780 1.00 10.00 N ATOM 64 CA LEU A 20 -8.400 11.080 0.643 1.00 10.00 C ATOM 65 C LEU A 20 -8.721 9.644 1.026 1.00 10.00 C ATOM 66 O LEU A 20 -8.290 9.160 2.076 1.00 10.00 O ATOM 67 CB LEU A 20 -6.950 11.181 0.158 1.00 10.00 C ATOM 68 CG LEU A 20 -6.535 12.548 -0.393 1.00 10.00 C ATOM 69 CD1 LEU A 20 -5.048 12.576 -0.693 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.333 12.883 -1.643 1.00 10.00 C ATOM 0 H LEU A 20 -7.842 11.994 2.438 1.00 10.00 H new ATOM 0 HA LEU A 20 -9.059 11.391 -0.168 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.289 10.926 0.987 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.791 10.432 -0.618 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.747 13.301 0.367 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.774 13.556 -1.083 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.489 12.380 0.222 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.812 11.812 -1.433 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -7.025 13.858 -2.021 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.152 12.125 -2.405 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.395 12.907 -1.401 1.00 10.00 H new ATOM 82 N LYS A 21 -9.488 8.969 0.187 1.00 10.00 N ATOM 83 CA LYS A 21 -9.863 7.591 0.447 1.00 10.00 C ATOM 84 C LYS A 21 -9.061 6.645 -0.428 1.00 10.00 C ATOM 85 O LYS A 21 -8.856 6.895 -1.613 1.00 10.00 O ATOM 86 CB LYS A 21 -11.353 7.377 0.194 1.00 10.00 C ATOM 87 CG LYS A 21 -12.253 8.328 0.960 1.00 10.00 C ATOM 88 CD LYS A 21 -13.713 8.082 0.623 1.00 10.00 C ATOM 89 CE LYS A 21 -14.563 9.315 0.880 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.905 9.200 0.252 1.00 10.00 N ATOM 0 H LYS A 21 -9.863 9.354 -0.680 1.00 10.00 H new ATOM 0 HA LYS A 21 -9.648 7.380 1.494 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.549 7.487 -0.872 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -11.613 6.353 0.462 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.096 8.200 2.031 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.989 9.358 0.720 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.801 7.791 -0.424 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.089 7.250 1.218 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.676 9.462 1.954 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.053 10.196 0.490 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.364 10.133 0.241 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.803 8.852 -0.723 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.488 8.534 0.798 1.00 10.00 H new ATOM 104 N VAL A 22 -8.598 5.570 0.171 1.00 10.00 N ATOM 105 CA VAL A 22 -7.838 4.559 -0.539 1.00 10.00 C ATOM 106 C VAL A 22 -8.561 3.230 -0.395 1.00 10.00 C ATOM 107 O VAL A 22 -8.898 2.829 0.719 1.00 10.00 O ATOM 108 CB VAL A 22 -6.398 4.436 0.003 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.590 3.460 -0.832 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.721 5.797 0.041 1.00 10.00 C ATOM 0 H VAL A 22 -8.736 5.370 1.162 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.763 4.847 -1.588 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.450 4.051 1.021 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.579 3.389 -0.432 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.062 2.478 -0.802 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.548 3.811 -1.863 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.707 5.688 0.426 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.684 6.213 -0.966 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.286 6.466 0.690 1.00 10.00 H new ATOM 120 N ALA A 23 -8.823 2.564 -1.508 1.00 10.00 N ATOM 121 CA ALA A 23 -9.541 1.301 -1.473 1.00 10.00 C ATOM 122 C ALA A 23 -8.665 0.139 -1.916 1.00 10.00 C ATOM 123 O ALA A 23 -8.077 0.162 -2.998 1.00 10.00 O ATOM 124 CB ALA A 23 -10.789 1.386 -2.337 1.00 10.00 C ATOM 0 H ALA A 23 -8.551 2.874 -2.441 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.832 1.113 -0.440 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.320 0.435 -2.304 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.438 2.177 -1.962 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.505 1.607 -3.366 1.00 10.00 H new ATOM 130 N GLY A 24 -8.582 -0.874 -1.063 1.00 10.00 N ATOM 131 CA GLY A 24 -7.793 -2.048 -1.376 1.00 10.00 C ATOM 132 C GLY A 24 -8.566 -3.046 -2.214 1.00 10.00 C ATOM 133 O GLY A 24 -9.689 -2.768 -2.640 1.00 10.00 O ATOM 0 H GLY A 24 -9.049 -0.903 -0.157 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -6.892 -1.747 -1.911 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.470 -2.525 -0.451 1.00 10.00 H new ATOM 137 N GLN A 25 -7.980 -4.214 -2.440 1.00 10.00 N ATOM 138 CA GLN A 25 -8.622 -5.253 -3.239 1.00 10.00 C ATOM 139 C GLN A 25 -9.793 -5.885 -2.490 1.00 10.00 C ATOM 140 O GLN A 25 -10.703 -6.444 -3.102 1.00 10.00 O ATOM 141 CB GLN A 25 -7.607 -6.331 -3.628 1.00 10.00 C ATOM 142 CG GLN A 25 -6.721 -5.948 -4.805 1.00 10.00 C ATOM 143 CD GLN A 25 -7.509 -5.716 -6.080 1.00 10.00 C ATOM 144 OE1 GLN A 25 -7.857 -6.660 -6.789 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.772 -4.458 -6.397 1.00 10.00 N ATOM 0 H GLN A 25 -7.059 -4.468 -2.081 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.010 -4.784 -4.143 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -6.976 -6.550 -2.767 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.142 -7.249 -3.872 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.165 -5.044 -4.557 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -5.988 -6.737 -4.974 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.467 -3.703 -5.783 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.280 -4.244 -7.255 1.00 10.00 H new ATOM 154 N ASP A 26 -9.767 -5.790 -1.166 1.00 10.00 N ATOM 155 CA ASP A 26 -10.827 -6.360 -0.339 1.00 10.00 C ATOM 156 C ASP A 26 -11.986 -5.375 -0.192 1.00 10.00 C ATOM 157 O ASP A 26 -13.130 -5.773 0.047 1.00 10.00 O ATOM 158 CB ASP A 26 -10.283 -6.746 1.042 1.00 10.00 C ATOM 159 CG ASP A 26 -10.300 -5.590 2.022 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.601 -4.587 1.767 1.00 10.00 O ATOM 161 OD2 ASP A 26 -11.020 -5.678 3.044 1.00 10.00 O ATOM 0 H ASP A 26 -9.026 -5.325 -0.642 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.197 -7.259 -0.833 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.876 -7.567 1.445 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.262 -7.112 0.936 1.00 10.00 H new ATOM 166 N GLY A 27 -11.686 -4.094 -0.348 1.00 10.00 N ATOM 167 CA GLY A 27 -12.707 -3.076 -0.231 1.00 10.00 C ATOM 168 C GLY A 27 -12.528 -2.203 0.994 1.00 10.00 C ATOM 169 O GLY A 27 -13.460 -1.516 1.411 1.00 10.00 O ATOM 0 H GLY A 27 -10.751 -3.742 -0.554 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -12.693 -2.450 -1.123 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.686 -3.553 -0.192 1.00 10.00 H new ATOM 173 N SER A 28 -11.339 -2.236 1.580 1.00 10.00 N ATOM 174 CA SER A 28 -11.050 -1.429 2.755 1.00 10.00 C ATOM 175 C SER A 28 -11.138 0.057 2.425 1.00 10.00 C ATOM 176 O SER A 28 -10.473 0.533 1.505 1.00 10.00 O ATOM 177 CB SER A 28 -9.654 -1.756 3.290 1.00 10.00 C ATOM 178 OG SER A 28 -8.806 -2.207 2.244 1.00 10.00 O ATOM 0 H SER A 28 -10.561 -2.813 1.261 1.00 10.00 H new ATOM 0 HA SER A 28 -11.792 -1.662 3.519 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.223 -0.871 3.758 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.726 -2.522 4.062 1.00 10.00 H new ATOM 0 HG SER A 28 -8.841 -3.185 2.193 1.00 10.00 H new ATOM 184 N VAL A 29 -11.983 0.776 3.148 1.00 10.00 N ATOM 185 CA VAL A 29 -12.121 2.204 2.935 1.00 10.00 C ATOM 186 C VAL A 29 -11.446 2.957 4.080 1.00 10.00 C ATOM 187 O VAL A 29 -11.968 3.050 5.195 1.00 10.00 O ATOM 188 CB VAL A 29 -13.604 2.637 2.764 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.476 2.141 3.911 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.713 4.150 2.620 1.00 10.00 C ATOM 0 H VAL A 29 -12.579 0.395 3.883 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.624 2.458 1.999 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.974 2.174 1.849 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.505 2.465 3.753 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.441 1.052 3.950 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -14.107 2.550 4.852 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.760 4.430 2.502 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -13.308 4.630 3.510 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -13.150 4.474 1.745 1.00 10.00 H new ATOM 200 N VAL A 30 -10.251 3.453 3.810 1.00 10.00 N ATOM 201 CA VAL A 30 -9.486 4.179 4.813 1.00 10.00 C ATOM 202 C VAL A 30 -9.798 5.668 4.808 1.00 10.00 C ATOM 203 O VAL A 30 -10.280 6.218 3.815 1.00 10.00 O ATOM 204 CB VAL A 30 -7.965 4.021 4.604 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.518 2.588 4.808 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.559 4.513 3.227 1.00 10.00 C ATOM 0 H VAL A 30 -9.788 3.367 2.905 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.780 3.743 5.768 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.466 4.633 5.355 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.442 2.517 4.652 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.759 2.273 5.823 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -8.031 1.942 4.096 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.483 4.393 3.100 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.081 3.934 2.465 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.821 5.566 3.125 1.00 10.00 H new ATOM 216 N GLN A 31 -9.533 6.302 5.937 1.00 10.00 N ATOM 217 CA GLN A 31 -9.712 7.733 6.084 1.00 10.00 C ATOM 218 C GLN A 31 -8.343 8.341 6.334 1.00 10.00 C ATOM 219 O GLN A 31 -7.863 8.366 7.469 1.00 10.00 O ATOM 220 CB GLN A 31 -10.661 8.065 7.239 1.00 10.00 C ATOM 221 CG GLN A 31 -11.310 9.433 7.103 1.00 10.00 C ATOM 222 CD GLN A 31 -11.870 9.954 8.412 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.240 9.183 9.298 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.943 11.269 8.537 1.00 10.00 N ATOM 0 H GLN A 31 -9.188 5.838 6.777 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.161 8.143 5.179 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.439 7.304 7.292 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.109 8.023 8.178 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.575 10.142 6.721 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -12.112 9.377 6.367 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.625 11.872 7.778 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.317 11.680 9.392 1.00 10.00 H new ATOM 233 N PHE A 32 -7.698 8.782 5.267 1.00 10.00 N ATOM 234 CA PHE A 32 -6.363 9.350 5.360 1.00 10.00 C ATOM 235 C PHE A 32 -6.374 10.803 5.806 1.00 10.00 C ATOM 236 O PHE A 32 -6.829 11.683 5.077 1.00 10.00 O ATOM 237 CB PHE A 32 -5.653 9.240 4.010 1.00 10.00 C ATOM 238 CG PHE A 32 -4.646 8.133 3.956 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.991 6.892 3.455 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.353 8.338 4.403 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.066 5.868 3.405 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.422 7.319 4.357 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.777 6.082 3.854 1.00 10.00 C ATOM 0 H PHE A 32 -8.080 8.757 4.321 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.828 8.778 6.118 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.397 9.083 3.229 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.155 10.185 3.792 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.996 6.721 3.098 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.069 9.305 4.792 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.350 4.901 3.016 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.417 7.489 4.714 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.049 5.285 3.812 1.00 10.00 H new ATOM 253 N LYS A 33 -5.884 11.043 7.012 1.00 10.00 N ATOM 254 CA LYS A 33 -5.782 12.394 7.532 1.00 10.00 C ATOM 255 C LYS A 33 -4.444 12.963 7.084 1.00 10.00 C ATOM 256 O LYS A 33 -3.468 12.973 7.841 1.00 10.00 O ATOM 257 CB LYS A 33 -5.886 12.411 9.059 1.00 10.00 C ATOM 258 CG LYS A 33 -5.941 13.814 9.641 1.00 10.00 C ATOM 259 CD LYS A 33 -5.422 13.854 11.067 1.00 10.00 C ATOM 260 CE LYS A 33 -5.478 15.263 11.637 1.00 10.00 C ATOM 261 NZ LYS A 33 -4.876 15.333 12.993 1.00 10.00 N ATOM 0 H LYS A 33 -5.551 10.318 7.648 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.604 12.999 7.150 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -6.779 11.864 9.362 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.031 11.883 9.481 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.351 14.488 9.020 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -6.969 14.177 9.618 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -6.014 13.184 11.690 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -4.395 13.490 11.093 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -4.952 15.946 10.970 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -6.515 15.596 11.682 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -4.933 16.309 13.348 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -5.394 14.700 13.636 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -3.879 15.039 12.946 1.00 10.00 H new ATOM 275 N ILE A 34 -4.395 13.401 5.840 1.00 10.00 N ATOM 276 CA ILE A 34 -3.175 13.932 5.262 1.00 10.00 C ATOM 277 C ILE A 34 -3.390 15.365 4.763 1.00 10.00 C ATOM 278 O ILE A 34 -4.529 15.805 4.589 1.00 10.00 O ATOM 279 CB ILE A 34 -2.709 13.015 4.095 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.404 13.511 3.463 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.799 12.902 3.037 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.657 12.441 2.693 1.00 10.00 C ATOM 0 H ILE A 34 -5.194 13.399 5.206 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.402 13.955 6.030 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.516 12.028 4.515 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.628 14.340 2.792 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.756 13.902 4.247 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.456 12.257 2.228 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.697 12.476 3.484 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -4.025 13.892 2.640 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.256 12.865 2.274 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.402 11.621 3.364 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.287 12.067 1.886 1.00 10.00 H new ATOM 294 N LYS A 35 -2.300 16.100 4.570 1.00 10.00 N ATOM 295 CA LYS A 35 -2.380 17.460 4.063 1.00 10.00 C ATOM 296 C LYS A 35 -2.298 17.432 2.538 1.00 10.00 C ATOM 297 O LYS A 35 -2.160 16.365 1.942 1.00 10.00 O ATOM 298 CB LYS A 35 -1.263 18.326 4.648 1.00 10.00 C ATOM 299 CG LYS A 35 -1.388 18.560 6.146 1.00 10.00 C ATOM 300 CD LYS A 35 -0.419 19.631 6.620 1.00 10.00 C ATOM 301 CE LYS A 35 -0.224 19.591 8.128 1.00 10.00 C ATOM 302 NZ LYS A 35 1.053 20.237 8.535 1.00 10.00 N ATOM 0 H LYS A 35 -1.352 15.774 4.758 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.331 17.899 4.366 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.303 17.852 4.443 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.258 19.290 4.138 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.409 18.858 6.386 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.194 17.629 6.679 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.543 19.495 6.126 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.791 20.613 6.328 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.058 20.095 8.616 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.233 18.556 8.469 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.365 19.845 9.446 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.779 20.056 7.813 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.908 21.262 8.630 1.00 10.00 H new ATOM 316 N ARG A 36 -2.359 18.592 1.901 1.00 10.00 N ATOM 317 CA ARG A 36 -2.322 18.645 0.442 1.00 10.00 C ATOM 318 C ARG A 36 -0.899 18.778 -0.096 1.00 10.00 C ATOM 319 O ARG A 36 -0.666 18.602 -1.292 1.00 10.00 O ATOM 320 CB ARG A 36 -3.187 19.801 -0.067 1.00 10.00 C ATOM 321 CG ARG A 36 -4.649 19.669 0.325 1.00 10.00 C ATOM 322 CD ARG A 36 -5.464 20.869 -0.121 1.00 10.00 C ATOM 323 NE ARG A 36 -5.746 20.843 -1.556 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.959 20.639 -2.074 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.998 20.395 -1.280 1.00 10.00 N ATOM 326 NH2 ARG A 36 -7.131 20.664 -3.389 1.00 10.00 N ATOM 0 H ARG A 36 -2.433 19.499 2.361 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.722 17.700 0.074 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.795 20.740 0.325 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.111 19.853 -1.153 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.064 18.763 -0.118 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.727 19.559 1.407 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.403 20.894 0.432 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.925 21.784 0.125 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.969 20.990 -2.200 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.870 20.363 -0.269 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.922 20.240 -1.683 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -6.336 20.839 -4.004 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -8.058 20.508 -3.785 1.00 10.00 H new ATOM 340 N HIS A 37 0.052 19.078 0.777 1.00 10.00 N ATOM 341 CA HIS A 37 1.437 19.237 0.345 1.00 10.00 C ATOM 342 C HIS A 37 2.291 18.019 0.714 1.00 10.00 C ATOM 343 O HIS A 37 3.437 17.903 0.282 1.00 10.00 O ATOM 344 CB HIS A 37 2.044 20.532 0.923 1.00 10.00 C ATOM 345 CG HIS A 37 2.294 20.508 2.406 1.00 10.00 C ATOM 346 ND1 HIS A 37 1.591 21.314 3.267 1.00 10.00 N ATOM 347 CD2 HIS A 37 3.193 19.788 3.118 1.00 10.00 C ATOM 348 CE1 HIS A 37 2.078 21.065 4.471 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.047 20.142 4.433 1.00 10.00 N ATOM 0 H HIS A 37 -0.104 19.215 1.776 1.00 10.00 H new ATOM 0 HA HIS A 37 1.435 19.314 -0.742 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.987 20.733 0.414 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.375 21.362 0.695 1.00 10.00 H new ATOM 0 HD2 HIS A 37 3.895 19.068 2.723 1.00 10.00 H new ATOM 0 HE1 HIS A 37 1.736 21.547 5.375 1.00 10.00 H new ATOM 0 HE2 HIS A 37 3.573 19.775 5.226 1.00 10.00 H new ATOM 357 N THR A 38 1.728 17.117 1.507 1.00 10.00 N ATOM 358 CA THR A 38 2.441 15.920 1.931 1.00 10.00 C ATOM 359 C THR A 38 2.588 14.929 0.770 1.00 10.00 C ATOM 360 O THR A 38 1.609 14.598 0.105 1.00 10.00 O ATOM 361 CB THR A 38 1.706 15.249 3.103 1.00 10.00 C ATOM 362 OG1 THR A 38 1.202 16.258 3.990 1.00 10.00 O ATOM 363 CG2 THR A 38 2.631 14.311 3.866 1.00 10.00 C ATOM 0 H THR A 38 0.778 17.192 1.870 1.00 10.00 H new ATOM 0 HA THR A 38 3.437 16.218 2.258 1.00 10.00 H new ATOM 0 HB THR A 38 0.881 14.661 2.702 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.930 16.864 4.244 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.084 13.851 4.689 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.997 13.535 3.194 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.475 14.875 4.262 1.00 10.00 H new ATOM 371 N PRO A 39 3.826 14.467 0.501 1.00 10.00 N ATOM 372 CA PRO A 39 4.111 13.521 -0.592 1.00 10.00 C ATOM 373 C PRO A 39 3.253 12.258 -0.540 1.00 10.00 C ATOM 374 O PRO A 39 3.075 11.654 0.520 1.00 10.00 O ATOM 375 CB PRO A 39 5.586 13.165 -0.381 1.00 10.00 C ATOM 376 CG PRO A 39 6.156 14.317 0.366 1.00 10.00 C ATOM 377 CD PRO A 39 5.048 14.841 1.237 1.00 10.00 C ATOM 0 HA PRO A 39 3.890 13.964 -1.563 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.692 12.238 0.182 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.097 13.020 -1.333 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.010 14.007 0.967 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.511 15.088 -0.318 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.072 14.392 2.230 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.120 15.920 1.373 1.00 10.00 H new ATOM 385 N LEU A 40 2.748 11.851 -1.704 1.00 10.00 N ATOM 386 CA LEU A 40 1.909 10.660 -1.809 1.00 10.00 C ATOM 387 C LEU A 40 2.721 9.398 -1.548 1.00 10.00 C ATOM 388 O LEU A 40 2.164 8.334 -1.278 1.00 10.00 O ATOM 389 CB LEU A 40 1.248 10.584 -3.189 1.00 10.00 C ATOM 390 CG LEU A 40 0.079 11.549 -3.408 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.464 11.411 -4.820 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.024 11.299 -2.388 1.00 10.00 C ATOM 0 H LEU A 40 2.907 12.331 -2.590 1.00 10.00 H new ATOM 0 HA LEU A 40 1.129 10.732 -1.051 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.006 10.779 -3.948 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.892 9.566 -3.348 1.00 10.00 H new ATOM 0 HG LEU A 40 0.445 12.567 -3.274 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.294 12.103 -4.960 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.324 11.640 -5.537 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.812 10.390 -4.978 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.845 11.995 -2.561 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.388 10.277 -2.489 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.630 11.446 -1.382 1.00 10.00 H new ATOM 404 N SER A 41 4.041 9.523 -1.630 1.00 10.00 N ATOM 405 CA SER A 41 4.936 8.406 -1.380 1.00 10.00 C ATOM 406 C SER A 41 4.775 7.921 0.059 1.00 10.00 C ATOM 407 O SER A 41 4.846 6.724 0.342 1.00 10.00 O ATOM 408 CB SER A 41 6.373 8.848 -1.640 1.00 10.00 C ATOM 409 OG SER A 41 6.397 10.179 -2.134 1.00 10.00 O ATOM 0 H SER A 41 4.515 10.394 -1.870 1.00 10.00 H new ATOM 0 HA SER A 41 4.690 7.581 -2.048 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.953 8.784 -0.719 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.843 8.177 -2.359 1.00 10.00 H new ATOM 0 HG SER A 41 7.120 10.272 -2.789 1.00 10.00 H new ATOM 415 N LYS A 42 4.525 8.869 0.955 1.00 10.00 N ATOM 416 CA LYS A 42 4.333 8.572 2.366 1.00 10.00 C ATOM 417 C LYS A 42 2.980 7.899 2.573 1.00 10.00 C ATOM 418 O LYS A 42 2.807 7.069 3.465 1.00 10.00 O ATOM 419 CB LYS A 42 4.415 9.868 3.174 1.00 10.00 C ATOM 420 CG LYS A 42 4.432 9.667 4.679 1.00 10.00 C ATOM 421 CD LYS A 42 4.609 10.996 5.394 1.00 10.00 C ATOM 422 CE LYS A 42 4.629 10.844 6.903 1.00 10.00 C ATOM 423 NZ LYS A 42 5.511 9.742 7.356 1.00 10.00 N ATOM 0 H LYS A 42 4.450 9.860 0.724 1.00 10.00 H new ATOM 0 HA LYS A 42 5.114 7.892 2.707 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.315 10.408 2.881 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.565 10.499 2.913 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.502 9.197 4.999 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.242 8.990 4.952 1.00 10.00 H new ATOM 0 HD2 LYS A 42 5.539 11.460 5.066 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.800 11.669 5.110 1.00 10.00 H new ATOM 0 HE2 LYS A 42 4.962 11.779 7.354 1.00 10.00 H new ATOM 0 HE3 LYS A 42 3.615 10.662 7.259 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.814 9.920 8.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.992 8.842 7.312 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 6.347 9.690 6.739 1.00 10.00 H new ATOM 437 N LEU A 43 2.030 8.259 1.716 1.00 10.00 N ATOM 438 CA LEU A 43 0.680 7.716 1.772 1.00 10.00 C ATOM 439 C LEU A 43 0.683 6.237 1.409 1.00 10.00 C ATOM 440 O LEU A 43 -0.005 5.430 2.038 1.00 10.00 O ATOM 441 CB LEU A 43 -0.242 8.498 0.827 1.00 10.00 C ATOM 442 CG LEU A 43 -1.728 8.410 1.157 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.410 9.739 0.888 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.390 7.307 0.349 1.00 10.00 C ATOM 0 H LEU A 43 2.175 8.934 0.965 1.00 10.00 H new ATOM 0 HA LEU A 43 0.305 7.817 2.791 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.056 9.546 0.839 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.089 8.134 -0.189 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.830 8.173 2.216 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.470 9.659 1.129 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -1.955 10.513 1.506 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.295 10.000 -0.164 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.450 7.260 0.598 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.276 7.517 -0.715 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.919 6.352 0.583 1.00 10.00 H new ATOM 456 N MET A 44 1.473 5.884 0.401 1.00 10.00 N ATOM 457 CA MET A 44 1.572 4.498 -0.042 1.00 10.00 C ATOM 458 C MET A 44 2.139 3.624 1.070 1.00 10.00 C ATOM 459 O MET A 44 1.610 2.551 1.362 1.00 10.00 O ATOM 460 CB MET A 44 2.450 4.388 -1.291 1.00 10.00 C ATOM 461 CG MET A 44 1.860 5.074 -2.513 1.00 10.00 C ATOM 462 SD MET A 44 2.688 4.601 -4.048 1.00 10.00 S ATOM 463 CE MET A 44 4.330 5.258 -3.776 1.00 10.00 C ATOM 0 H MET A 44 2.054 6.538 -0.124 1.00 10.00 H new ATOM 0 HA MET A 44 0.569 4.150 -0.290 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.427 4.822 -1.077 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.612 3.335 -1.519 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.801 4.828 -2.586 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.929 6.154 -2.386 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.001 4.893 -4.553 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.296 6.347 -3.808 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.694 4.935 -2.801 1.00 10.00 H new ATOM 473 N LYS A 45 3.208 4.107 1.701 1.00 10.00 N ATOM 474 CA LYS A 45 3.856 3.378 2.788 1.00 10.00 C ATOM 475 C LYS A 45 2.881 3.131 3.933 1.00 10.00 C ATOM 476 O LYS A 45 2.834 2.038 4.495 1.00 10.00 O ATOM 477 CB LYS A 45 5.064 4.156 3.319 1.00 10.00 C ATOM 478 CG LYS A 45 6.089 4.520 2.259 1.00 10.00 C ATOM 479 CD LYS A 45 7.179 5.399 2.844 1.00 10.00 C ATOM 480 CE LYS A 45 8.093 5.965 1.770 1.00 10.00 C ATOM 481 NZ LYS A 45 9.064 6.945 2.330 1.00 10.00 N ATOM 0 H LYS A 45 3.644 5.002 1.477 1.00 10.00 H new ATOM 0 HA LYS A 45 4.190 2.421 2.387 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.711 5.071 3.796 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.553 3.562 4.091 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.530 3.613 1.846 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.599 5.040 1.436 1.00 10.00 H new ATOM 0 HD2 LYS A 45 6.724 6.218 3.401 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.769 4.820 3.554 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.635 5.151 1.288 1.00 10.00 H new ATOM 0 HE3 LYS A 45 7.492 6.448 0.999 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 9.670 7.309 1.567 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.547 7.734 2.768 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.654 6.478 3.047 1.00 10.00 H new ATOM 495 N ALA A 46 2.097 4.152 4.259 1.00 10.00 N ATOM 496 CA ALA A 46 1.125 4.066 5.343 1.00 10.00 C ATOM 497 C ALA A 46 0.147 2.911 5.136 1.00 10.00 C ATOM 498 O ALA A 46 -0.163 2.175 6.075 1.00 10.00 O ATOM 499 CB ALA A 46 0.376 5.382 5.482 1.00 10.00 C ATOM 0 H ALA A 46 2.116 5.055 3.785 1.00 10.00 H new ATOM 0 HA ALA A 46 1.671 3.869 6.265 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.347 5.305 6.294 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.083 6.182 5.700 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.146 5.603 4.551 1.00 10.00 H new ATOM 505 N TYR A 47 -0.333 2.742 3.908 1.00 10.00 N ATOM 506 CA TYR A 47 -1.265 1.661 3.611 1.00 10.00 C ATOM 507 C TYR A 47 -0.551 0.315 3.693 1.00 10.00 C ATOM 508 O TYR A 47 -1.102 -0.661 4.210 1.00 10.00 O ATOM 509 CB TYR A 47 -1.901 1.840 2.230 1.00 10.00 C ATOM 510 CG TYR A 47 -3.014 0.851 1.955 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.837 -0.198 1.063 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.239 0.960 2.602 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.846 -1.111 0.827 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.256 0.053 2.368 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.054 -0.981 1.480 1.00 10.00 C ATOM 516 OH TYR A 47 -6.056 -1.897 1.251 1.00 10.00 O ATOM 0 H TYR A 47 -0.095 3.332 3.111 1.00 10.00 H new ATOM 0 HA TYR A 47 -2.062 1.688 4.354 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.295 2.853 2.147 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.131 1.733 1.466 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.895 -0.302 0.545 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.400 1.768 3.300 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.690 -1.924 0.133 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.203 0.154 2.878 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.847 -1.655 1.777 1.00 10.00 H new ATOM 526 N CYS A 48 0.679 0.272 3.192 1.00 10.00 N ATOM 527 CA CYS A 48 1.475 -0.949 3.221 1.00 10.00 C ATOM 528 C CYS A 48 1.707 -1.398 4.662 1.00 10.00 C ATOM 529 O CYS A 48 1.539 -2.573 4.990 1.00 10.00 O ATOM 530 CB CYS A 48 2.811 -0.733 2.511 1.00 10.00 C ATOM 531 SG CYS A 48 2.656 -0.412 0.740 1.00 10.00 S ATOM 0 H CYS A 48 1.146 1.069 2.761 1.00 10.00 H new ATOM 0 HA CYS A 48 0.927 -1.731 2.696 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.328 0.105 2.978 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.436 -1.614 2.657 1.00 10.00 H new ATOM 0 HG CYS A 48 2.197 0.790 0.555 1.00 10.00 H new ATOM 537 N GLU A 49 2.068 -0.446 5.519 1.00 10.00 N ATOM 538 CA GLU A 49 2.317 -0.722 6.933 1.00 10.00 C ATOM 539 C GLU A 49 1.027 -1.127 7.644 1.00 10.00 C ATOM 540 O GLU A 49 1.052 -1.835 8.651 1.00 10.00 O ATOM 541 CB GLU A 49 2.909 0.516 7.616 1.00 10.00 C ATOM 542 CG GLU A 49 4.254 0.946 7.055 1.00 10.00 C ATOM 543 CD GLU A 49 5.420 0.344 7.810 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.208 -0.406 7.200 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.554 0.623 9.017 1.00 10.00 O ATOM 0 H GLU A 49 2.196 0.531 5.257 1.00 10.00 H new ATOM 0 HA GLU A 49 3.026 -1.547 6.996 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.205 1.343 7.520 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.019 0.313 8.681 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.316 0.655 6.006 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.327 2.033 7.089 1.00 10.00 H new ATOM 552 N ARG A 50 -0.098 -0.674 7.109 1.00 10.00 N ATOM 553 CA ARG A 50 -1.400 -0.973 7.688 1.00 10.00 C ATOM 554 C ARG A 50 -1.791 -2.428 7.458 1.00 10.00 C ATOM 555 O ARG A 50 -2.177 -3.131 8.390 1.00 10.00 O ATOM 556 CB ARG A 50 -2.467 -0.061 7.083 1.00 10.00 C ATOM 557 CG ARG A 50 -3.602 0.273 8.034 1.00 10.00 C ATOM 558 CD ARG A 50 -3.186 1.333 9.038 1.00 10.00 C ATOM 559 NE ARG A 50 -2.639 0.759 10.266 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.076 1.065 11.487 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.114 1.882 11.646 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.491 0.532 12.550 1.00 10.00 N ATOM 0 H ARG A 50 -0.135 -0.095 6.270 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.331 -0.799 8.762 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.996 0.866 6.756 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.879 -0.540 6.195 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.463 0.625 7.466 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.914 -0.628 8.562 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.441 1.987 8.584 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.048 1.954 9.284 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.878 0.085 10.183 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -4.581 2.278 10.830 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -4.443 2.112 12.584 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.708 -0.111 12.432 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -2.824 0.765 13.486 1.00 10.00 H new ATOM 576 N GLN A 51 -1.678 -2.875 6.215 1.00 10.00 N ATOM 577 CA GLN A 51 -2.045 -4.242 5.862 1.00 10.00 C ATOM 578 C GLN A 51 -0.911 -5.219 6.151 1.00 10.00 C ATOM 579 O GLN A 51 -1.133 -6.424 6.263 1.00 10.00 O ATOM 580 CB GLN A 51 -2.432 -4.320 4.381 1.00 10.00 C ATOM 581 CG GLN A 51 -3.512 -3.328 3.976 1.00 10.00 C ATOM 582 CD GLN A 51 -4.778 -3.473 4.796 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.940 -2.832 5.833 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.686 -4.319 4.336 1.00 10.00 N ATOM 0 H GLN A 51 -1.336 -2.314 5.435 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.900 -4.524 6.477 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.544 -4.145 3.773 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.777 -5.330 4.158 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.127 -2.314 4.086 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.750 -3.467 2.921 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.513 -4.832 3.471 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.558 -4.458 4.846 1.00 10.00 H new ATOM 593 N GLY A 52 0.297 -4.699 6.287 1.00 10.00 N ATOM 594 CA GLY A 52 1.440 -5.552 6.543 1.00 10.00 C ATOM 595 C GLY A 52 2.000 -6.114 5.256 1.00 10.00 C ATOM 596 O GLY A 52 2.363 -7.287 5.177 1.00 10.00 O ATOM 0 H GLY A 52 0.508 -3.703 6.225 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.212 -4.984 7.062 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.147 -6.369 7.203 1.00 10.00 H new ATOM 600 N LEU A 53 2.051 -5.266 4.241 1.00 10.00 N ATOM 601 CA LEU A 53 2.552 -5.653 2.934 1.00 10.00 C ATOM 602 C LEU A 53 3.726 -4.766 2.544 1.00 10.00 C ATOM 603 O LEU A 53 4.030 -3.790 3.229 1.00 10.00 O ATOM 604 CB LEU A 53 1.449 -5.533 1.878 1.00 10.00 C ATOM 605 CG LEU A 53 0.122 -6.212 2.231 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.943 -5.859 1.203 1.00 10.00 C ATOM 607 CD2 LEU A 53 0.298 -7.722 2.322 1.00 10.00 C ATOM 0 H LEU A 53 1.747 -4.294 4.300 1.00 10.00 H new ATOM 0 HA LEU A 53 2.881 -6.691 2.985 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.259 -4.475 1.695 1.00 10.00 H new ATOM 0 HB3 LEU A 53 1.817 -5.957 0.944 1.00 10.00 H new ATOM 0 HG LEU A 53 -0.203 -5.848 3.206 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.880 -6.349 1.467 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -1.090 -4.779 1.187 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.623 -6.196 0.217 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -0.656 -8.185 2.574 1.00 10.00 H new ATOM 0 HD22 LEU A 53 0.646 -8.106 1.363 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.030 -7.957 3.094 1.00 10.00 H new ATOM 619 N SER A 54 4.378 -5.107 1.448 1.00 10.00 N ATOM 620 CA SER A 54 5.508 -4.334 0.964 1.00 10.00 C ATOM 621 C SER A 54 5.049 -3.330 -0.090 1.00 10.00 C ATOM 622 O SER A 54 4.057 -3.561 -0.789 1.00 10.00 O ATOM 623 CB SER A 54 6.571 -5.273 0.380 1.00 10.00 C ATOM 624 OG SER A 54 7.564 -4.558 -0.337 1.00 10.00 O ATOM 0 H SER A 54 4.144 -5.917 0.874 1.00 10.00 H new ATOM 0 HA SER A 54 5.944 -3.784 1.798 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.040 -5.838 1.186 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.094 -5.996 -0.281 1.00 10.00 H new ATOM 0 HG SER A 54 8.226 -5.186 -0.694 1.00 10.00 H new ATOM 630 N MET A 55 5.774 -2.223 -0.210 1.00 10.00 N ATOM 631 CA MET A 55 5.443 -1.193 -1.188 1.00 10.00 C ATOM 632 C MET A 55 5.753 -1.702 -2.594 1.00 10.00 C ATOM 633 O MET A 55 5.265 -1.173 -3.589 1.00 10.00 O ATOM 634 CB MET A 55 6.223 0.092 -0.894 1.00 10.00 C ATOM 635 CG MET A 55 5.796 1.282 -1.746 1.00 10.00 C ATOM 636 SD MET A 55 6.443 2.854 -1.133 1.00 10.00 S ATOM 637 CE MET A 55 8.198 2.502 -1.053 1.00 10.00 C ATOM 0 H MET A 55 6.595 -2.016 0.358 1.00 10.00 H new ATOM 0 HA MET A 55 4.379 -0.966 -1.122 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.099 0.348 0.158 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.285 -0.094 -1.054 1.00 10.00 H new ATOM 0 HG2 MET A 55 6.136 1.130 -2.770 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.707 1.330 -1.775 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.746 3.425 -0.864 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.391 1.794 -0.247 1.00 10.00 H new ATOM 0 HE3 MET A 55 8.527 2.073 -2.000 1.00 10.00 H new ATOM 647 N ARG A 56 6.557 -2.756 -2.652 1.00 10.00 N ATOM 648 CA ARG A 56 6.939 -3.366 -3.916 1.00 10.00 C ATOM 649 C ARG A 56 5.965 -4.491 -4.270 1.00 10.00 C ATOM 650 O ARG A 56 6.007 -5.044 -5.368 1.00 10.00 O ATOM 651 CB ARG A 56 8.369 -3.911 -3.812 1.00 10.00 C ATOM 652 CG ARG A 56 9.029 -4.210 -5.151 1.00 10.00 C ATOM 653 CD ARG A 56 10.498 -4.556 -4.968 1.00 10.00 C ATOM 654 NE ARG A 56 11.163 -4.856 -6.236 1.00 10.00 N ATOM 655 CZ ARG A 56 12.029 -4.038 -6.834 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.294 -2.845 -6.314 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.626 -4.408 -7.961 1.00 10.00 N ATOM 0 H ARG A 56 6.959 -3.208 -1.831 1.00 10.00 H new ATOM 0 HA ARG A 56 6.902 -2.615 -4.705 1.00 10.00 H new ATOM 0 HB2 ARG A 56 8.981 -3.188 -3.273 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.354 -4.824 -3.217 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.514 -5.039 -5.637 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.934 -3.346 -5.808 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.007 -3.723 -4.482 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.586 -5.415 -4.303 1.00 10.00 H new ATOM 0 HE ARG A 56 10.951 -5.745 -6.690 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.834 -2.551 -5.453 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.958 -2.223 -6.776 1.00 10.00 H new ATOM 0 HH21 ARG A 56 12.422 -5.320 -8.371 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.288 -3.781 -8.417 1.00 10.00 H new ATOM 671 N GLN A 57 5.069 -4.803 -3.339 1.00 10.00 N ATOM 672 CA GLN A 57 4.089 -5.869 -3.536 1.00 10.00 C ATOM 673 C GLN A 57 2.806 -5.342 -4.182 1.00 10.00 C ATOM 674 O GLN A 57 2.201 -6.011 -5.017 1.00 10.00 O ATOM 675 CB GLN A 57 3.757 -6.528 -2.195 1.00 10.00 C ATOM 676 CG GLN A 57 2.835 -7.729 -2.314 1.00 10.00 C ATOM 677 CD GLN A 57 2.349 -8.227 -0.966 1.00 10.00 C ATOM 678 OE1 GLN A 57 1.155 -8.798 -0.942 1.00 10.00 O flip ATOM 679 NE2 GLN A 57 3.039 -8.095 0.047 1.00 10.00 N flip ATOM 0 H GLN A 57 5.000 -4.332 -2.437 1.00 10.00 H new ATOM 0 HA GLN A 57 4.529 -6.605 -4.209 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.684 -6.840 -1.715 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.293 -5.789 -1.542 1.00 10.00 H new ATOM 0 HG2 GLN A 57 1.976 -7.463 -2.930 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.359 -8.535 -2.828 1.00 10.00 H new ATOM 0 HE21 GLN A 57 3.954 -7.649 -0.014 1.00 10.00 H new ATOM 0 HE22 GLN A 57 2.695 -8.432 0.946 1.00 10.00 H new ATOM 688 N ILE A 58 2.394 -4.143 -3.795 1.00 10.00 N ATOM 689 CA ILE A 58 1.175 -3.554 -4.333 1.00 10.00 C ATOM 690 C ILE A 58 1.477 -2.324 -5.180 1.00 10.00 C ATOM 691 O ILE A 58 2.605 -1.834 -5.193 1.00 10.00 O ATOM 692 CB ILE A 58 0.188 -3.167 -3.211 1.00 10.00 C ATOM 693 CG1 ILE A 58 0.912 -2.413 -2.090 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.502 -4.410 -2.666 1.00 10.00 C ATOM 695 CD1 ILE A 58 -0.001 -1.967 -0.967 1.00 10.00 C ATOM 0 H ILE A 58 2.883 -3.561 -3.114 1.00 10.00 H new ATOM 0 HA ILE A 58 0.714 -4.315 -4.962 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.570 -2.505 -3.628 1.00 10.00 H new ATOM 0 HG12 ILE A 58 1.693 -3.053 -1.679 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.407 -1.539 -2.513 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -1.196 -4.124 -1.875 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -1.050 -4.903 -3.469 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.245 -5.094 -2.263 1.00 10.00 H new ATOM 0 HD11 ILE A 58 0.582 -1.441 -0.211 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.767 -1.300 -1.364 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -0.476 -2.838 -0.517 1.00 10.00 H new ATOM 707 N ARG A 59 0.468 -1.851 -5.902 1.00 10.00 N ATOM 708 CA ARG A 59 0.600 -0.673 -6.753 1.00 10.00 C ATOM 709 C ARG A 59 -0.582 0.262 -6.542 1.00 10.00 C ATOM 710 O ARG A 59 -1.710 -0.191 -6.332 1.00 10.00 O ATOM 711 CB ARG A 59 0.681 -1.072 -8.230 1.00 10.00 C ATOM 712 CG ARG A 59 1.921 -1.877 -8.588 1.00 10.00 C ATOM 713 CD ARG A 59 3.201 -1.148 -8.206 1.00 10.00 C ATOM 714 NE ARG A 59 4.390 -1.864 -8.667 1.00 10.00 N ATOM 715 CZ ARG A 59 4.970 -2.865 -8.007 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.531 -3.220 -6.804 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.010 -3.493 -8.543 1.00 10.00 N ATOM 0 H ARG A 59 -0.462 -2.271 -5.915 1.00 10.00 H new ATOM 0 HA ARG A 59 1.522 -0.160 -6.479 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.204 -1.654 -8.487 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.658 -0.170 -8.841 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.887 -2.841 -8.080 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.925 -2.081 -9.659 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.191 -0.146 -8.635 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.244 -1.031 -7.123 1.00 10.00 H new ATOM 0 HE ARG A 59 4.803 -1.577 -9.554 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.746 -2.725 -6.381 1.00 10.00 H new ATOM 0 HH12 ARG A 59 4.979 -3.987 -6.304 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.362 -3.208 -9.457 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.457 -4.260 -8.041 1.00 10.00 H new ATOM 731 N PHE A 60 -0.322 1.562 -6.610 1.00 10.00 N ATOM 732 CA PHE A 60 -1.360 2.568 -6.416 1.00 10.00 C ATOM 733 C PHE A 60 -1.640 3.312 -7.718 1.00 10.00 C ATOM 734 O PHE A 60 -0.720 3.607 -8.485 1.00 10.00 O ATOM 735 CB PHE A 60 -0.938 3.563 -5.331 1.00 10.00 C ATOM 736 CG PHE A 60 -0.886 2.973 -3.948 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.074 2.030 -3.614 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.797 3.365 -2.979 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.125 1.492 -2.343 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.751 2.827 -1.707 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.788 1.889 -1.390 1.00 10.00 C ATOM 0 H PHE A 60 0.604 1.946 -6.799 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.272 2.060 -6.101 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.044 3.963 -5.582 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.634 4.402 -5.331 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.791 1.712 -4.357 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.551 4.099 -3.221 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.880 0.760 -2.096 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.467 3.140 -0.962 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.751 1.467 -0.397 1.00 10.00 H new ATOM 751 N ARG A 61 -2.910 3.602 -7.970 1.00 10.00 N ATOM 752 CA ARG A 61 -3.305 4.312 -9.180 1.00 10.00 C ATOM 753 C ARG A 61 -4.274 5.448 -8.865 1.00 10.00 C ATOM 754 O ARG A 61 -5.170 5.306 -8.029 1.00 10.00 O ATOM 755 CB ARG A 61 -3.949 3.353 -10.184 1.00 10.00 C ATOM 756 CG ARG A 61 -2.969 2.390 -10.833 1.00 10.00 C ATOM 757 CD ARG A 61 -3.656 1.528 -11.877 1.00 10.00 C ATOM 758 NE ARG A 61 -2.803 0.434 -12.344 1.00 10.00 N ATOM 759 CZ ARG A 61 -3.262 -0.768 -12.694 1.00 10.00 C ATOM 760 NH1 ARG A 61 -4.562 -1.033 -12.627 1.00 10.00 N ATOM 761 NH2 ARG A 61 -2.422 -1.705 -13.119 1.00 10.00 N ATOM 0 H ARG A 61 -3.684 3.357 -7.353 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.402 4.737 -9.618 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.725 2.779 -9.677 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.441 3.935 -10.963 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.158 2.951 -11.297 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.521 1.754 -10.070 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.574 1.116 -11.458 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.944 2.149 -12.725 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.799 0.601 -12.405 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -5.213 -0.316 -12.307 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -4.909 -1.954 -12.896 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.423 -1.506 -13.178 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -2.776 -2.624 -13.386 1.00 10.00 H new ATOM 775 N PHE A 62 -4.082 6.569 -9.545 1.00 10.00 N ATOM 776 CA PHE A 62 -4.923 7.746 -9.379 1.00 10.00 C ATOM 777 C PHE A 62 -5.449 8.180 -10.743 1.00 10.00 C ATOM 778 O PHE A 62 -4.664 8.442 -11.656 1.00 10.00 O ATOM 779 CB PHE A 62 -4.127 8.882 -8.720 1.00 10.00 C ATOM 780 CG PHE A 62 -4.757 10.240 -8.873 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.865 10.597 -8.120 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.239 11.161 -9.773 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.444 11.843 -8.262 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.815 12.407 -9.916 1.00 10.00 C ATOM 785 CZ PHE A 62 -5.918 12.749 -9.161 1.00 10.00 C ATOM 0 H PHE A 62 -3.336 6.688 -10.230 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.764 7.504 -8.730 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.013 8.663 -7.658 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.126 8.907 -9.150 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.280 9.893 -7.414 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.376 10.900 -10.368 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.308 12.108 -7.670 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.402 13.115 -10.619 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.369 13.724 -9.273 1.00 10.00 H new ATOM 795 N ASP A 63 -6.773 8.225 -10.879 1.00 10.00 N ATOM 796 CA ASP A 63 -7.427 8.612 -12.137 1.00 10.00 C ATOM 797 C ASP A 63 -6.994 7.697 -13.286 1.00 10.00 C ATOM 798 O ASP A 63 -7.052 8.069 -14.457 1.00 10.00 O ATOM 799 CB ASP A 63 -7.127 10.077 -12.484 1.00 10.00 C ATOM 800 CG ASP A 63 -8.264 10.741 -13.241 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.316 10.618 -14.481 1.00 10.00 O ATOM 802 OD2 ASP A 63 -9.118 11.383 -12.592 1.00 10.00 O ATOM 0 H ASP A 63 -7.424 7.996 -10.127 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.502 8.503 -11.997 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.933 10.632 -11.566 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.218 10.126 -13.084 1.00 10.00 H new ATOM 807 N GLY A 64 -6.552 6.494 -12.940 1.00 10.00 N ATOM 808 CA GLY A 64 -6.120 5.541 -13.943 1.00 10.00 C ATOM 809 C GLY A 64 -4.621 5.565 -14.174 1.00 10.00 C ATOM 810 O GLY A 64 -4.067 4.643 -14.776 1.00 10.00 O ATOM 0 H GLY A 64 -6.485 6.161 -11.978 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.419 4.539 -13.637 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.631 5.753 -14.882 1.00 10.00 H new ATOM 814 N GLN A 65 -3.961 6.610 -13.694 1.00 10.00 N ATOM 815 CA GLN A 65 -2.520 6.746 -13.857 1.00 10.00 C ATOM 816 C GLN A 65 -1.789 6.262 -12.612 1.00 10.00 C ATOM 817 O GLN A 65 -2.271 6.439 -11.495 1.00 10.00 O ATOM 818 CB GLN A 65 -2.147 8.204 -14.150 1.00 10.00 C ATOM 819 CG GLN A 65 -2.552 8.670 -15.539 1.00 10.00 C ATOM 820 CD GLN A 65 -1.926 7.831 -16.635 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.494 6.832 -17.073 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.748 8.228 -17.087 1.00 10.00 N ATOM 0 H GLN A 65 -4.402 7.378 -13.187 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.216 6.128 -14.702 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.620 8.847 -13.408 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.070 8.324 -14.036 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.637 8.631 -15.630 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.258 9.712 -15.670 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.308 9.062 -16.699 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.280 7.700 -17.824 1.00 10.00 H new ATOM 831 N PRO A 66 -0.623 5.625 -12.782 1.00 10.00 N ATOM 832 CA PRO A 66 0.171 5.123 -11.657 1.00 10.00 C ATOM 833 C PRO A 66 0.805 6.259 -10.853 1.00 10.00 C ATOM 834 O PRO A 66 1.194 7.287 -11.412 1.00 10.00 O ATOM 835 CB PRO A 66 1.250 4.271 -12.336 1.00 10.00 C ATOM 836 CG PRO A 66 1.380 4.839 -13.706 1.00 10.00 C ATOM 837 CD PRO A 66 0.013 5.337 -14.084 1.00 10.00 C ATOM 0 HA PRO A 66 -0.433 4.568 -10.939 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.195 4.325 -11.795 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.961 3.221 -12.369 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.108 5.650 -13.724 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.727 4.083 -14.410 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.069 6.228 -14.709 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.545 4.589 -14.646 1.00 10.00 H new ATOM 845 N ILE A 67 0.894 6.074 -9.543 1.00 10.00 N ATOM 846 CA ILE A 67 1.477 7.083 -8.670 1.00 10.00 C ATOM 847 C ILE A 67 2.980 6.863 -8.533 1.00 10.00 C ATOM 848 O ILE A 67 3.439 5.726 -8.405 1.00 10.00 O ATOM 849 CB ILE A 67 0.818 7.065 -7.272 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.699 7.252 -7.400 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.416 8.147 -6.378 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.423 7.288 -6.072 1.00 10.00 C ATOM 0 H ILE A 67 0.570 5.235 -9.062 1.00 10.00 H new ATOM 0 HA ILE A 67 1.295 8.057 -9.123 1.00 10.00 H new ATOM 0 HB ILE A 67 1.014 6.097 -6.810 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -0.898 8.180 -7.937 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.106 6.441 -8.004 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.937 8.116 -5.399 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.486 7.974 -6.264 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.252 9.125 -6.831 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.491 7.423 -6.243 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.256 6.351 -5.541 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.044 8.116 -5.473 1.00 10.00 H new ATOM 864 N ASN A 68 3.741 7.949 -8.582 1.00 10.00 N ATOM 865 CA ASN A 68 5.190 7.874 -8.461 1.00 10.00 C ATOM 866 C ASN A 68 5.622 8.185 -7.033 1.00 10.00 C ATOM 867 O ASN A 68 4.837 8.692 -6.230 1.00 10.00 O ATOM 868 CB ASN A 68 5.866 8.850 -9.433 1.00 10.00 C ATOM 869 CG ASN A 68 5.442 8.637 -10.873 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.065 7.877 -11.615 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.378 9.309 -11.277 1.00 10.00 N ATOM 0 H ASN A 68 3.377 8.894 -8.705 1.00 10.00 H new ATOM 0 HA ASN A 68 5.499 6.859 -8.712 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.629 9.872 -9.137 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.948 8.739 -9.358 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.045 9.208 -12.236 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.890 9.929 -10.630 1.00 10.00 H new ATOM 878 N GLU A 69 6.886 7.913 -6.730 1.00 10.00 N ATOM 879 CA GLU A 69 7.430 8.152 -5.396 1.00 10.00 C ATOM 880 C GLU A 69 7.722 9.634 -5.161 1.00 10.00 C ATOM 881 O GLU A 69 8.248 10.012 -4.116 1.00 10.00 O ATOM 882 CB GLU A 69 8.706 7.336 -5.198 1.00 10.00 C ATOM 883 CG GLU A 69 8.456 5.845 -5.059 1.00 10.00 C ATOM 884 CD GLU A 69 9.729 5.033 -5.132 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.693 5.358 -4.408 1.00 10.00 O ATOM 886 OE2 GLU A 69 9.776 4.061 -5.914 1.00 10.00 O ATOM 0 H GLU A 69 7.557 7.525 -7.393 1.00 10.00 H new ATOM 0 HA GLU A 69 6.678 7.840 -4.671 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.372 7.507 -6.044 1.00 10.00 H new ATOM 0 HB3 GLU A 69 9.222 7.694 -4.308 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.959 5.651 -4.108 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.776 5.519 -5.846 1.00 10.00 H new ATOM 893 N THR A 70 7.384 10.472 -6.126 1.00 10.00 N ATOM 894 CA THR A 70 7.615 11.901 -5.997 1.00 10.00 C ATOM 895 C THR A 70 6.336 12.683 -6.294 1.00 10.00 C ATOM 896 O THR A 70 6.364 13.893 -6.523 1.00 10.00 O ATOM 897 CB THR A 70 8.747 12.361 -6.940 1.00 10.00 C ATOM 898 OG1 THR A 70 9.724 11.315 -7.070 1.00 10.00 O ATOM 899 CG2 THR A 70 9.426 13.615 -6.411 1.00 10.00 C ATOM 0 H THR A 70 6.950 10.189 -7.005 1.00 10.00 H new ATOM 0 HA THR A 70 7.917 12.101 -4.969 1.00 10.00 H new ATOM 0 HB THR A 70 8.307 12.586 -7.912 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.440 11.609 -7.671 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.219 13.916 -7.096 1.00 10.00 H new ATOM 0 HG22 THR A 70 8.694 14.418 -6.329 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.853 13.411 -5.429 1.00 10.00 H new ATOM 907 N ASP A 71 5.205 11.990 -6.264 1.00 10.00 N ATOM 908 CA ASP A 71 3.925 12.627 -6.540 1.00 10.00 C ATOM 909 C ASP A 71 3.356 13.280 -5.291 1.00 10.00 C ATOM 910 O ASP A 71 3.660 12.876 -4.165 1.00 10.00 O ATOM 911 CB ASP A 71 2.924 11.619 -7.102 1.00 10.00 C ATOM 912 CG ASP A 71 2.894 11.629 -8.615 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.695 12.713 -9.202 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.073 10.553 -9.224 1.00 10.00 O ATOM 0 H ASP A 71 5.148 10.994 -6.053 1.00 10.00 H new ATOM 0 HA ASP A 71 4.100 13.402 -7.287 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.181 10.619 -6.752 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.929 11.845 -6.719 1.00 10.00 H new ATOM 919 N THR A 72 2.532 14.292 -5.497 1.00 10.00 N ATOM 920 CA THR A 72 1.909 15.017 -4.404 1.00 10.00 C ATOM 921 C THR A 72 0.458 15.334 -4.748 1.00 10.00 C ATOM 922 O THR A 72 0.126 15.490 -5.924 1.00 10.00 O ATOM 923 CB THR A 72 2.667 16.327 -4.115 1.00 10.00 C ATOM 924 OG1 THR A 72 3.479 16.672 -5.245 1.00 10.00 O ATOM 925 CG2 THR A 72 3.549 16.194 -2.885 1.00 10.00 C ATOM 0 H THR A 72 2.276 14.634 -6.424 1.00 10.00 H new ATOM 0 HA THR A 72 1.944 14.388 -3.514 1.00 10.00 H new ATOM 0 HB THR A 72 1.932 17.110 -3.928 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.959 17.506 -5.060 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.070 17.135 -2.708 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.932 15.952 -2.019 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.278 15.400 -3.044 1.00 10.00 H new ATOM 933 N PRO A 73 -0.429 15.438 -3.739 1.00 10.00 N ATOM 934 CA PRO A 73 -1.848 15.738 -3.963 1.00 10.00 C ATOM 935 C PRO A 73 -2.043 17.051 -4.711 1.00 10.00 C ATOM 936 O PRO A 73 -2.847 17.135 -5.637 1.00 10.00 O ATOM 937 CB PRO A 73 -2.432 15.832 -2.548 1.00 10.00 C ATOM 938 CG PRO A 73 -1.478 15.083 -1.684 1.00 10.00 C ATOM 939 CD PRO A 73 -0.124 15.268 -2.307 1.00 10.00 C ATOM 0 HA PRO A 73 -2.331 14.980 -4.579 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.523 16.870 -2.227 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.430 15.396 -2.504 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.493 15.465 -0.663 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.743 14.027 -1.633 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.391 16.138 -1.899 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.520 14.406 -2.133 1.00 10.00 H new ATOM 947 N ALA A 74 -1.286 18.066 -4.315 1.00 10.00 N ATOM 948 CA ALA A 74 -1.363 19.378 -4.943 1.00 10.00 C ATOM 949 C ALA A 74 -0.847 19.343 -6.381 1.00 10.00 C ATOM 950 O ALA A 74 -1.328 20.077 -7.240 1.00 10.00 O ATOM 951 CB ALA A 74 -0.580 20.392 -4.127 1.00 10.00 C ATOM 0 H ALA A 74 -0.607 18.004 -3.556 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.411 19.674 -4.975 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.643 21.370 -4.604 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.998 20.451 -3.122 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.464 20.084 -4.068 1.00 10.00 H new ATOM 957 N GLN A 75 0.127 18.478 -6.643 1.00 10.00 N ATOM 958 CA GLN A 75 0.702 18.359 -7.977 1.00 10.00 C ATOM 959 C GLN A 75 -0.283 17.688 -8.925 1.00 10.00 C ATOM 960 O GLN A 75 -0.389 18.054 -10.094 1.00 10.00 O ATOM 961 CB GLN A 75 2.001 17.556 -7.924 1.00 10.00 C ATOM 962 CG GLN A 75 2.967 17.890 -9.049 1.00 10.00 C ATOM 963 CD GLN A 75 3.458 19.323 -8.986 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.583 19.906 -7.907 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.741 19.901 -10.139 1.00 10.00 N ATOM 0 H GLN A 75 0.534 17.850 -5.950 1.00 10.00 H new ATOM 0 HA GLN A 75 0.919 19.361 -8.348 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.492 17.738 -6.968 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.763 16.493 -7.963 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.821 17.214 -9.003 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.477 17.719 -10.007 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.624 19.384 -11.011 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.076 20.864 -10.158 1.00 10.00 H new ATOM 974 N LEU A 76 -1.012 16.711 -8.407 1.00 10.00 N ATOM 975 CA LEU A 76 -1.990 15.981 -9.203 1.00 10.00 C ATOM 976 C LEU A 76 -3.357 16.659 -9.150 1.00 10.00 C ATOM 977 O LEU A 76 -4.325 16.153 -9.718 1.00 10.00 O ATOM 978 CB LEU A 76 -2.103 14.537 -8.708 1.00 10.00 C ATOM 979 CG LEU A 76 -0.880 13.655 -8.972 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.034 12.310 -8.282 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.668 13.466 -10.467 1.00 10.00 C ATOM 0 H LEU A 76 -0.945 16.404 -7.437 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.649 15.979 -10.238 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.294 14.553 -7.635 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.971 14.076 -9.179 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.002 14.155 -8.562 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.155 11.696 -8.481 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.135 12.462 -7.207 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.922 11.806 -8.662 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.206 12.836 -10.634 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.547 12.990 -10.902 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.511 14.436 -10.938 1.00 10.00 H new ATOM 993 N GLU A 77 -3.415 17.803 -8.466 1.00 10.00 N ATOM 994 CA GLU A 77 -4.650 18.575 -8.319 1.00 10.00 C ATOM 995 C GLU A 77 -5.752 17.717 -7.708 1.00 10.00 C ATOM 996 O GLU A 77 -6.910 17.766 -8.130 1.00 10.00 O ATOM 997 CB GLU A 77 -5.096 19.142 -9.670 1.00 10.00 C ATOM 998 CG GLU A 77 -4.155 20.200 -10.224 1.00 10.00 C ATOM 999 CD GLU A 77 -4.396 21.569 -9.623 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -4.347 21.702 -8.383 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.629 22.523 -10.394 1.00 10.00 O ATOM 0 H GLU A 77 -2.609 18.220 -7.999 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.453 19.409 -7.645 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -5.176 18.326 -10.389 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -6.092 19.572 -9.564 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.125 19.900 -10.033 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.275 20.256 -11.306 1.00 10.00 H new ATOM 1008 N MET A 78 -5.379 16.929 -6.709 1.00 10.00 N ATOM 1009 CA MET A 78 -6.321 16.055 -6.031 1.00 10.00 C ATOM 1010 C MET A 78 -7.211 16.863 -5.105 1.00 10.00 C ATOM 1011 O MET A 78 -6.752 17.796 -4.445 1.00 10.00 O ATOM 1012 CB MET A 78 -5.582 14.981 -5.235 1.00 10.00 C ATOM 1013 CG MET A 78 -4.710 14.085 -6.094 1.00 10.00 C ATOM 1014 SD MET A 78 -3.689 12.963 -5.118 1.00 10.00 S ATOM 1015 CE MET A 78 -4.925 11.813 -4.522 1.00 10.00 C ATOM 0 H MET A 78 -4.426 16.879 -6.350 1.00 10.00 H new ATOM 0 HA MET A 78 -6.939 15.567 -6.784 1.00 10.00 H new ATOM 0 HB2 MET A 78 -4.961 15.462 -4.479 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.310 14.367 -4.705 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.343 13.503 -6.764 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.067 14.703 -6.720 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.511 10.804 -4.517 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.220 12.089 -3.510 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.797 11.845 -5.176 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.481 16.500 -5.058 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.438 17.196 -4.219 1.00 10.00 C ATOM 1027 C GLU A 79 -10.036 16.236 -3.198 1.00 10.00 C ATOM 1028 O GLU A 79 -9.866 15.020 -3.308 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.539 17.825 -5.081 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.293 18.954 -4.395 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.375 19.890 -3.641 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.298 19.777 -2.400 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.712 20.732 -4.284 1.00 10.00 O ATOM 0 H GLU A 79 -8.873 15.725 -5.593 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.924 17.994 -3.683 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.094 18.205 -6.000 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.249 17.049 -5.368 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -11.850 19.520 -5.141 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.023 18.532 -3.704 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.716 16.792 -2.204 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.352 16.002 -1.154 1.00 10.00 C ATOM 1042 C ASP A 80 -12.347 15.010 -1.754 1.00 10.00 C ATOM 1043 O ASP A 80 -12.866 15.230 -2.851 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.067 16.932 -0.168 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.103 16.383 1.246 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.158 16.663 2.019 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.083 15.694 1.599 1.00 10.00 O ATOM 0 H ASP A 80 -10.843 17.799 -2.101 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.582 15.439 -0.625 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.567 17.901 -0.163 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.087 17.102 -0.512 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.582 13.908 -1.038 1.00 10.00 N ATOM 1053 CA GLU A 81 -13.513 12.861 -1.473 1.00 10.00 C ATOM 1054 C GLU A 81 -12.976 12.076 -2.673 1.00 10.00 C ATOM 1055 O GLU A 81 -13.750 11.480 -3.429 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.889 13.448 -1.807 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.686 13.880 -0.588 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.192 12.707 0.231 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.515 11.657 -0.360 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.285 12.836 1.470 1.00 10.00 O ATOM 0 H GLU A 81 -12.134 13.715 -0.142 1.00 10.00 H new ATOM 0 HA GLU A 81 -13.617 12.169 -0.637 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.757 14.306 -2.465 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.465 12.707 -2.361 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -15.062 14.515 0.042 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -16.534 14.485 -0.910 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.659 12.071 -2.852 1.00 10.00 N ATOM 1068 CA ASP A 82 -11.052 11.330 -3.957 1.00 10.00 C ATOM 1069 C ASP A 82 -10.817 9.886 -3.534 1.00 10.00 C ATOM 1070 O ASP A 82 -10.973 9.549 -2.356 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.735 11.971 -4.405 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.592 11.979 -5.915 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.561 10.883 -6.522 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.523 13.082 -6.498 1.00 10.00 O ATOM 0 H ASP A 82 -10.996 12.565 -2.255 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.737 11.356 -4.804 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.684 12.993 -4.031 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.899 11.428 -3.964 1.00 10.00 H new ATOM 1079 N THR A 83 -10.442 9.031 -4.475 1.00 10.00 N ATOM 1080 CA THR A 83 -10.219 7.628 -4.165 1.00 10.00 C ATOM 1081 C THR A 83 -9.060 7.035 -4.966 1.00 10.00 C ATOM 1082 O THR A 83 -9.031 7.101 -6.195 1.00 10.00 O ATOM 1083 CB THR A 83 -11.495 6.803 -4.418 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.625 7.493 -3.865 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.384 5.419 -3.791 1.00 10.00 C ATOM 0 H THR A 83 -10.287 9.282 -5.451 1.00 10.00 H new ATOM 0 HA THR A 83 -9.957 7.579 -3.108 1.00 10.00 H new ATOM 0 HB THR A 83 -11.622 6.682 -5.494 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.438 6.971 -4.026 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.298 4.858 -3.984 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.535 4.890 -4.224 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.240 5.517 -2.715 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.108 6.457 -4.248 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.947 5.832 -4.861 1.00 10.00 C ATOM 1095 C ILE A 84 -7.143 4.317 -4.908 1.00 10.00 C ATOM 1096 O ILE A 84 -7.550 3.710 -3.912 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.655 6.163 -4.077 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.500 7.680 -3.927 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.434 5.565 -4.767 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.312 8.091 -3.079 1.00 10.00 C ATOM 0 H ILE A 84 -8.119 6.408 -3.229 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.844 6.224 -5.873 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.732 5.720 -3.084 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.400 8.126 -4.917 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.409 8.087 -3.484 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.538 5.811 -4.198 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.542 4.482 -4.824 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.348 5.974 -5.774 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.267 9.178 -3.018 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.419 7.676 -2.077 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.394 7.715 -3.531 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.865 3.716 -6.060 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.027 2.274 -6.236 1.00 10.00 C ATOM 1114 C ASP A 85 -5.729 1.537 -5.930 1.00 10.00 C ATOM 1115 O ASP A 85 -4.646 1.985 -6.316 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.454 1.938 -7.669 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.892 2.306 -7.980 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.813 1.616 -7.488 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.107 3.276 -8.736 1.00 10.00 O ATOM 0 H ASP A 85 -6.526 4.205 -6.888 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.802 1.953 -5.540 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.797 2.458 -8.366 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -7.317 0.870 -7.838 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.844 0.410 -5.239 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.688 -0.407 -4.898 1.00 10.00 C ATOM 1126 C VAL A 86 -4.815 -1.784 -5.537 1.00 10.00 C ATOM 1127 O VAL A 86 -5.830 -2.466 -5.369 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.527 -0.577 -3.372 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.228 -1.300 -3.045 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.578 0.768 -2.671 1.00 10.00 C ATOM 0 H VAL A 86 -6.733 0.040 -4.902 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.807 0.109 -5.280 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.358 -1.183 -3.010 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.134 -1.409 -1.965 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.233 -2.286 -3.510 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.385 -0.723 -3.426 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.462 0.623 -1.597 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.772 1.402 -3.040 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.537 1.247 -2.871 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.791 -2.186 -6.273 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.787 -3.482 -6.939 1.00 10.00 C ATOM 1142 C PHE A 87 -2.549 -4.273 -6.543 1.00 10.00 C ATOM 1143 O PHE A 87 -1.517 -3.692 -6.216 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.817 -3.303 -8.459 1.00 10.00 C ATOM 1145 CG PHE A 87 -5.020 -2.556 -8.958 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -6.204 -3.224 -9.229 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.964 -1.188 -9.162 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.312 -2.539 -9.692 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.067 -0.497 -9.623 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.243 -1.173 -9.891 1.00 10.00 C ATOM 0 H PHE A 87 -2.948 -1.632 -6.426 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.677 -4.029 -6.629 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.917 -2.773 -8.771 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.789 -4.285 -8.932 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -6.262 -4.292 -9.077 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.047 -0.655 -8.958 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -8.230 -3.070 -9.898 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.011 0.571 -9.774 1.00 10.00 H new ATOM 0 HZ PHE A 87 -8.106 -0.635 -10.255 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.657 -5.594 -6.567 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.537 -6.461 -6.226 1.00 10.00 C ATOM 1162 C GLN A 88 -0.705 -6.739 -7.471 1.00 10.00 C ATOM 1163 O GLN A 88 -1.254 -6.934 -8.557 1.00 10.00 O ATOM 1164 CB GLN A 88 -2.048 -7.773 -5.621 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.732 -7.592 -4.275 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.829 -7.930 -3.101 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -2.431 -8.290 -1.978 1.00 10.00 O flip ATOM 1168 NE2 GLN A 88 -0.604 -7.856 -3.195 1.00 10.00 N flip ATOM 0 H GLN A 88 -3.511 -6.090 -6.820 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.911 -5.962 -5.487 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.748 -8.237 -6.316 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.211 -8.461 -5.505 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -3.070 -6.560 -4.181 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.620 -8.223 -4.237 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -0.176 -7.575 -4.077 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -0.017 -8.076 -2.391 1.00 10.00 H new ATOM 1177 N GLN A 89 0.610 -6.741 -7.319 1.00 10.00 N ATOM 1178 CA GLN A 89 1.506 -6.982 -8.441 1.00 10.00 C ATOM 1179 C GLN A 89 1.543 -8.466 -8.794 1.00 10.00 C ATOM 1180 O GLN A 89 1.468 -9.323 -7.915 1.00 10.00 O ATOM 1181 CB GLN A 89 2.915 -6.480 -8.102 1.00 10.00 C ATOM 1182 CG GLN A 89 3.868 -6.476 -9.284 1.00 10.00 C ATOM 1183 CD GLN A 89 3.391 -5.591 -10.421 1.00 10.00 C ATOM 1184 OE1 GLN A 89 2.734 -4.571 -10.209 1.00 10.00 O ATOM 1185 NE2 GLN A 89 3.717 -5.979 -11.640 1.00 10.00 N ATOM 0 H GLN A 89 1.082 -6.578 -6.429 1.00 10.00 H new ATOM 0 HA GLN A 89 1.133 -6.436 -9.307 1.00 10.00 H new ATOM 0 HB2 GLN A 89 2.843 -5.468 -7.702 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.333 -7.105 -7.313 1.00 10.00 H new ATOM 0 HG2 GLN A 89 4.849 -6.137 -8.953 1.00 10.00 H new ATOM 0 HG3 GLN A 89 3.990 -7.495 -9.650 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.263 -6.830 -11.776 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.423 -5.428 -12.446 1.00 10.00 H new ATOM 1194 N GLN A 90 1.650 -8.759 -10.086 1.00 10.00 N ATOM 1195 CA GLN A 90 1.703 -10.135 -10.556 1.00 10.00 C ATOM 1196 C GLN A 90 3.003 -10.792 -10.116 1.00 10.00 C ATOM 1197 O GLN A 90 4.090 -10.344 -10.488 1.00 10.00 O ATOM 1198 CB GLN A 90 1.586 -10.196 -12.084 1.00 10.00 C ATOM 1199 CG GLN A 90 0.246 -9.718 -12.628 1.00 10.00 C ATOM 1200 CD GLN A 90 0.157 -8.207 -12.737 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.162 -7.522 -12.941 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.046 -7.678 -12.598 1.00 10.00 N ATOM 0 H GLN A 90 1.702 -8.059 -10.826 1.00 10.00 H new ATOM 0 HA GLN A 90 0.861 -10.673 -10.120 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.380 -9.591 -12.522 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.752 -11.223 -12.409 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.081 -10.158 -13.611 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.553 -10.078 -11.980 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.852 -8.280 -12.430 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.169 -6.667 -12.658 1.00 10.00 H new ATOM 1211 N THR A 91 2.887 -11.841 -9.318 1.00 10.00 N ATOM 1212 CA THR A 91 4.044 -12.570 -8.829 1.00 10.00 C ATOM 1213 C THR A 91 4.718 -13.344 -9.959 1.00 10.00 C ATOM 1214 O THR A 91 5.941 -13.509 -9.980 1.00 10.00 O ATOM 1215 CB THR A 91 3.625 -13.543 -7.716 1.00 10.00 C ATOM 1216 OG1 THR A 91 2.202 -13.730 -7.756 1.00 10.00 O ATOM 1217 CG2 THR A 91 4.034 -13.017 -6.348 1.00 10.00 C ATOM 0 H THR A 91 1.993 -12.209 -8.993 1.00 10.00 H new ATOM 0 HA THR A 91 4.755 -11.847 -8.430 1.00 10.00 H new ATOM 0 HB THR A 91 4.129 -14.495 -7.881 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.934 -14.352 -7.048 1.00 10.00 H new ATOM 0 HG21 THR A 91 3.725 -13.725 -5.579 1.00 10.00 H new ATOM 0 HG22 THR A 91 5.116 -12.894 -6.314 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.554 -12.055 -6.170 1.00 10.00 H new ATOM 1225 N GLY A 92 3.906 -13.806 -10.896 1.00 10.00 N ATOM 1226 CA GLY A 92 4.405 -14.556 -12.025 1.00 10.00 C ATOM 1227 C GLY A 92 3.315 -15.405 -12.632 1.00 10.00 C ATOM 1228 O GLY A 92 2.130 -15.035 -12.492 1.00 10.00 O ATOM 0 H GLY A 92 2.895 -13.671 -10.892 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.799 -13.871 -12.776 1.00 10.00 H new ATOM 0 HA3 GLY A 92 5.232 -15.191 -11.708 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -18.779 -3.540 5.309 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.173 -2.212 5.497 1.00 10.00 C ATOM 1235 C ASN B 357 -16.971 -2.308 6.414 1.00 10.00 C ATOM 1236 O ASN B 357 -17.114 -2.473 7.622 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.194 -1.236 6.091 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.634 0.168 6.265 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.899 0.671 5.412 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.966 0.813 7.379 1.00 10.00 N ATOM 0 HA ASN B 357 -17.853 -1.842 4.523 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.070 -1.195 5.444 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.529 -1.611 7.058 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.610 1.754 7.549 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.576 0.367 8.064 1.00 10.00 H new ATOM 1247 N ASN B 358 -15.788 -2.188 5.837 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.565 -2.237 6.611 1.00 10.00 C ATOM 1249 C ASN B 358 -13.881 -0.888 6.495 1.00 10.00 C ATOM 1250 O ASN B 358 -13.550 -0.435 5.400 1.00 10.00 O ATOM 1251 CB ASN B 358 -13.659 -3.355 6.079 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.245 -3.296 6.621 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.013 -2.887 7.762 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.278 -3.701 5.799 1.00 10.00 N ATOM 0 H ASN B 358 -15.651 -2.056 4.835 1.00 10.00 H new ATOM 0 HA ASN B 358 -14.780 -2.450 7.658 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.098 -4.320 6.334 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.625 -3.298 4.991 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.306 -3.680 6.106 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.510 -4.033 4.863 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.651 -0.270 7.636 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.050 1.045 7.675 1.00 10.00 C ATOM 1263 C ARG B 359 -11.795 1.061 8.522 1.00 10.00 C ATOM 1264 O ARG B 359 -11.780 0.574 9.652 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.053 2.063 8.206 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.621 1.690 9.564 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.448 2.815 10.150 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.684 2.631 11.574 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.082 3.601 12.386 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.243 4.830 11.923 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.299 3.347 13.668 1.00 10.00 N ATOM 0 H ARG B 359 -13.873 -0.661 8.552 1.00 10.00 H new ATOM 0 HA ARG B 359 -12.767 1.312 6.657 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.569 3.037 8.277 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -14.871 2.164 7.492 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.237 0.796 9.468 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.806 1.444 10.245 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.937 3.764 9.986 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.403 2.873 9.628 1.00 10.00 H new ATOM 0 HE ARG B 359 -15.535 1.703 11.970 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.061 5.033 10.940 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -16.549 5.575 12.549 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.160 2.404 14.032 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -16.605 4.094 14.291 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.746 1.612 7.960 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.476 1.737 8.654 1.00 10.00 C ATOM 1287 C ASP B 360 -9.088 3.210 8.708 1.00 10.00 C ATOM 1288 O ASP B 360 -9.247 3.928 7.723 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.382 0.905 7.979 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.391 0.332 8.981 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.471 1.058 9.406 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.539 -0.855 9.350 1.00 10.00 O ATOM 0 H ASP B 360 -10.743 1.987 7.011 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.585 1.350 9.667 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -8.842 0.090 7.419 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.849 1.526 7.259 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.598 3.715 9.842 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.228 5.109 9.958 1.00 10.00 C ATOM 1299 C PRO B 361 -6.716 5.272 9.939 1.00 10.00 C ATOM 1300 O PRO B 361 -5.980 4.627 10.690 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.782 5.450 11.346 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.762 4.153 12.117 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.469 3.037 11.134 1.00 10.00 C ATOM 0 HA PRO B 361 -8.602 5.738 9.151 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.172 6.208 11.837 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.793 5.850 11.277 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.002 4.184 12.898 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.720 3.987 12.610 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.472 2.621 11.277 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.175 2.213 11.233 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.258 6.143 9.050 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.841 6.364 8.853 1.00 10.00 C ATOM 1313 C ILE B 362 -4.449 7.799 9.156 1.00 10.00 C ATOM 1314 O ILE B 362 -5.082 8.750 8.693 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.414 6.019 7.406 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -5.313 4.907 6.830 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.948 5.601 7.370 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -5.102 3.563 7.478 1.00 10.00 C ATOM 0 H ILE B 362 -6.858 6.710 8.451 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.325 5.703 9.549 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.532 6.908 6.787 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -6.357 5.198 6.948 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.126 4.818 5.760 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.663 5.362 6.346 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.328 6.418 7.738 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.804 4.724 8.001 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -5.768 2.831 7.022 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.068 3.250 7.337 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -5.318 3.635 8.544 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.391 7.935 9.926 1.00 10.00 N ATOM 1331 CA VAL B 363 -2.873 9.229 10.314 1.00 10.00 C ATOM 1332 C VAL B 363 -1.490 9.398 9.725 1.00 10.00 C ATOM 1333 O VAL B 363 -0.662 8.488 9.748 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.816 9.399 11.853 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.425 10.820 12.237 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.154 9.031 12.475 1.00 10.00 C ATOM 0 H VAL B 363 -2.864 7.147 10.302 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.548 9.995 9.932 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.051 8.725 12.238 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.394 10.908 13.323 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.442 11.051 11.826 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.159 11.520 11.837 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.099 9.155 13.556 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.932 9.680 12.074 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.391 7.993 12.241 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.272 10.557 9.167 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.033 10.901 8.522 1.00 10.00 C ATOM 1348 C ILE B 364 0.634 12.020 9.291 1.00 10.00 C ATOM 1349 O ILE B 364 -0.039 12.916 9.817 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.255 11.312 7.045 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.740 10.595 6.134 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.138 12.817 6.857 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.621 9.088 6.172 1.00 10.00 C ATOM 0 H ILE B 364 -1.965 11.305 9.147 1.00 10.00 H new ATOM 0 HA ILE B 364 0.613 10.023 8.518 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.268 11.016 6.773 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.593 10.937 5.109 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.752 10.878 6.422 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.300 13.066 5.808 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -0.887 13.319 7.469 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.857 13.145 7.159 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.358 8.648 5.501 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.798 8.735 7.188 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.379 8.794 5.855 1.00 10.00 H new HETATM 1365 N SEP B 365 1.941 11.963 9.395 1.00 10.00 N HETATM 1366 CA SEP B 365 2.651 12.979 10.123 1.00 10.00 C HETATM 1367 CB SEP B 365 3.708 12.312 11.005 1.00 10.00 C HETATM 1368 OG SEP B 365 3.352 10.964 11.295 1.00 10.00 O HETATM 1369 C SEP B 365 3.313 13.897 9.117 1.00 10.00 C HETATM 1370 O SEP B 365 4.089 13.477 8.257 1.00 10.00 O HETATM 1371 P SEP B 365 4.129 9.747 10.588 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.182 8.519 11.399 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.425 10.109 9.996 1.00 10.00 O HETATM 1374 O3P SEP B 365 3.222 9.344 9.334 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.675 12.337 10.502 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.817 12.871 11.934 1.00 10.00 H new HETATM 0 HA SEP B 365 1.974 13.552 10.757 1.00 10.00 H new HETATM 0 H SEP B 365 2.185 10.981 9.522 1.00 10.00 H new ATOM 1379 N ASP B 366 2.956 15.157 9.235 1.00 10.00 N ATOM 1380 CA ASP B 366 3.418 16.188 8.336 1.00 10.00 C ATOM 1381 C ASP B 366 4.075 17.328 9.090 1.00 10.00 C ATOM 1382 O ASP B 366 3.631 17.677 10.186 1.00 10.00 O ATOM 1383 CB ASP B 366 2.264 16.703 7.484 1.00 10.00 C ATOM 1384 CG ASP B 366 2.721 17.726 6.468 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.610 18.935 6.752 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.196 17.329 5.384 1.00 10.00 O ATOM 0 H ASP B 366 2.330 15.497 9.966 1.00 10.00 H new ATOM 0 HA ASP B 366 4.170 15.749 7.681 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.792 15.866 6.969 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.507 17.147 8.130 1.00 10.00 H new HETATM 1391 N SEP B 367 5.172 17.820 8.526 1.00 10.00 N HETATM 1392 CA SEP B 367 5.944 18.940 9.061 1.00 10.00 C HETATM 1393 CB SEP B 367 6.624 19.634 7.887 1.00 10.00 C HETATM 1394 OG SEP B 367 6.967 18.694 6.876 1.00 10.00 O HETATM 1395 C SEP B 367 5.081 19.965 9.813 1.00 10.00 C HETATM 1396 O SEP B 367 3.948 20.248 9.412 1.00 10.00 O HETATM 1397 P SEP B 367 8.456 18.129 6.788 1.00 10.00 P HETATM 1398 O1P SEP B 367 8.754 17.422 5.528 1.00 10.00 O HETATM 1399 O2P SEP B 367 9.490 19.097 7.186 1.00 10.00 O HETATM 1400 O3P SEP B 367 8.526 16.994 7.907 1.00 10.00 O HETATM 0 HB3 SEP B 367 5.961 20.394 7.474 1.00 10.00 H new HETATM 0 HB2 SEP B 367 7.521 20.148 8.232 1.00 10.00 H new HETATM 0 HA SEP B 367 6.660 18.544 9.781 1.00 10.00 H new HETATM 0 H SEP B 367 5.168 17.636 7.523 1.00 10.00 H new ATOM 1405 N PRO B 368 5.631 20.544 10.903 1.00 10.00 N ATOM 1406 CA PRO B 368 4.935 21.546 11.725 1.00 10.00 C ATOM 1407 C PRO B 368 4.323 22.664 10.886 1.00 10.00 C ATOM 1408 O PRO B 368 3.118 22.947 11.061 1.00 10.00 O ATOM 1409 CB PRO B 368 6.046 22.103 12.622 1.00 10.00 C ATOM 1410 CG PRO B 368 7.055 21.017 12.705 1.00 10.00 C ATOM 1411 CD PRO B 368 6.991 20.274 11.402 1.00 10.00 C ATOM 0 HA PRO B 368 4.100 21.111 12.274 1.00 10.00 H new ATOM 0 HB2 PRO B 368 6.477 23.010 12.199 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.663 22.362 13.609 1.00 10.00 H new ATOM 0 HG2 PRO B 368 8.052 21.426 12.870 1.00 10.00 H new ATOM 0 HG3 PRO B 368 6.841 20.352 13.542 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.750 20.627 10.704 1.00 10.00 H new ATOM 0 HD3 PRO B 368 7.160 19.206 11.543 1.00 10.00 H new TER 1419 PRO B 368