USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1027 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 27 LYS NZ :NH3+ -174:sc= 0.0296 (180deg=0) USER MOD Set 1.2: B 43 THR OG1 : rot -160:sc= 0.0289 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.466 USER MOD Set 2.2: B 24 GLN : amide:sc= -0.686 X(o=-1.2,f=-0.74) USER MOD Set 3.1: B 10 GLN :FLIP amide:sc= 0.0345 F(o=-1.5,f=-0.45) USER MOD Set 3.2: B 27 LYS NZ :NH3+ -173:sc= -0.483 (180deg=-0.522) USER MOD Set 4.1: A 66 MET CE :methyl -151:sc= -5.3! (180deg=-9.06!) USER MOD Set 4.2: B 30 SER OG : rot 147:sc= 0.871 USER MOD Set 5.1: A 46 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.3!) USER MOD Set 5.2: A 48 GLN : amide:sc= -0.0406 X(o=-2.7,f=-2.3) USER MOD Set 6.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 34 HIS : no HE2:sc= -4.34! C(o=-4.3!,f=-7.8!) USER MOD Set 7.1: A 14 THR OG1 : rot 146:sc= 0.0556 USER MOD Set 7.2: A 53 ASN : amide:sc= 0.0144 K(o=0.07,f=-0.5) USER MOD Single : A 10 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.4!) USER MOD Single : A 16 GLN : amide:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.0027) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc=-0.00129 (180deg=-0.11) USER MOD Single : A 22 ASN : amide:sc= -3.05! C(o=-3!,f=-4!) USER MOD Single : A 24 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.92) USER MOD Single : A 25 SER OG : rot 147:sc= -2.81 USER MOD Single : A 37 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.78) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.437 (180deg=-1.42!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.823 USER MOD Single : A 58 MET CE :methyl 158:sc= -0.605 (180deg=-2.14!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.939 K(o=-0.94,f=-4.9!) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-1.8!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -2.24! C(o=-2.2!,f=-4.1!) USER MOD Single : B 25 SER OG : rot 180:sc= -1.21 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 HIS : no HD1:sc= -4.15! C(o=-4.2!,f=-6!) USER MOD Single : B 37 GLN : amide:sc=-0.00873 X(o=-0.0087,f=-0.079) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -2.75! C(o=-2.8!,f=-2.7!) USER MOD Single : B 48 GLN : amide:sc= -0.482 K(o=-0.48,f=-3) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -2.82 K(o=-2.8,f=-7.1!) USER MOD Single : B 56 SER OG : rot 130:sc= -0.168 USER MOD Single : B 58 MET CE :methyl -149:sc= -0.261 (180deg=-1.39!) USER MOD Single : B 60 LYS NZ :NH3+ 159:sc= -0.0109 (180deg=-0.193) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -153:sc= -4.65! (180deg=-9.03!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -1.34! C(o=-1.3!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -3.434 -15.595 -10.450 1.00 0.00 N ATOM 50 CA ARG A 8 -2.752 -16.006 -9.235 1.00 0.00 C ATOM 51 C ARG A 8 -2.324 -14.779 -8.426 1.00 0.00 C ATOM 52 O ARG A 8 -3.041 -13.780 -8.382 1.00 0.00 O ATOM 53 CB ARG A 8 -1.518 -16.852 -9.555 1.00 0.00 C ATOM 54 CG ARG A 8 -1.819 -17.862 -10.664 1.00 0.00 C ATOM 55 CD ARG A 8 -1.065 -19.174 -10.431 1.00 0.00 C ATOM 56 NE ARG A 8 -0.109 -19.411 -11.535 1.00 0.00 N ATOM 57 CZ ARG A 8 0.853 -20.344 -11.508 1.00 0.00 C ATOM 58 NH1 ARG A 8 0.992 -21.132 -10.433 1.00 0.00 N ATOM 59 NH2 ARG A 8 1.676 -20.488 -12.556 1.00 0.00 N ATOM 0 HA ARG A 8 -3.449 -16.607 -8.651 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.697 -16.203 -9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.191 -17.378 -8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.891 -18.056 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.536 -17.442 -11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.533 -19.133 -9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.771 -20.002 -10.366 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.187 -18.828 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.366 -21.022 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.724 -21.842 -10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.570 -19.888 -13.374 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.408 -21.198 -12.536 1.00 0.00 H new ATOM 73 N CYS A 9 -1.159 -14.895 -7.807 1.00 0.00 N ATOM 74 CA CYS A 9 -0.628 -13.809 -7.002 1.00 0.00 C ATOM 75 C CYS A 9 0.315 -12.980 -7.876 1.00 0.00 C ATOM 76 O CYS A 9 0.877 -13.489 -8.845 1.00 0.00 O ATOM 77 CB CYS A 9 0.069 -14.326 -5.741 1.00 0.00 C ATOM 78 SG CYS A 9 -1.060 -14.831 -4.393 1.00 0.00 S ATOM 0 H CYS A 9 -0.568 -15.725 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.446 -13.179 -6.652 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.693 -15.178 -6.011 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.735 -13.549 -5.366 1.00 0.00 H new ATOM 83 N GLN A 10 0.461 -11.717 -7.502 1.00 0.00 N ATOM 84 CA GLN A 10 1.327 -10.813 -8.240 1.00 0.00 C ATOM 85 C GLN A 10 2.727 -10.799 -7.624 1.00 0.00 C ATOM 86 O GLN A 10 3.583 -10.017 -8.037 1.00 0.00 O ATOM 87 CB GLN A 10 0.734 -9.404 -8.288 1.00 0.00 C ATOM 88 CG GLN A 10 1.027 -8.731 -9.631 1.00 0.00 C ATOM 89 CD GLN A 10 1.915 -7.499 -9.444 1.00 0.00 C ATOM 90 OE1 GLN A 10 3.034 -7.429 -9.925 1.00 0.00 O ATOM 91 NE2 GLN A 10 1.355 -6.533 -8.721 1.00 0.00 N ATOM 0 H GLN A 10 -0.006 -11.298 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 10 1.407 -11.173 -9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.343 -9.453 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.148 -8.803 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.518 -9.440 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.091 -8.440 -10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.414 -6.656 -8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.867 -5.669 -8.540 1.00 0.00 H new ATOM 100 N CYS A 11 2.918 -11.672 -6.646 1.00 0.00 N ATOM 101 CA CYS A 11 4.200 -11.769 -5.969 1.00 0.00 C ATOM 102 C CYS A 11 4.695 -13.212 -6.082 1.00 0.00 C ATOM 103 O CYS A 11 4.084 -14.126 -5.530 1.00 0.00 O ATOM 104 CB CYS A 11 4.107 -11.310 -4.512 1.00 0.00 C ATOM 105 SG CYS A 11 4.793 -9.645 -4.186 1.00 0.00 S ATOM 0 H CYS A 11 2.206 -12.319 -6.306 1.00 0.00 H new ATOM 0 HA CYS A 11 4.917 -11.101 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.060 -11.322 -4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.629 -12.032 -3.884 1.00 0.00 H new ATOM 110 N LEU A 12 5.796 -13.372 -6.800 1.00 0.00 N ATOM 111 CA LEU A 12 6.380 -14.688 -6.993 1.00 0.00 C ATOM 112 C LEU A 12 7.330 -14.995 -5.833 1.00 0.00 C ATOM 113 O LEU A 12 7.568 -16.158 -5.512 1.00 0.00 O ATOM 114 CB LEU A 12 7.039 -14.786 -8.370 1.00 0.00 C ATOM 115 CG LEU A 12 6.217 -14.257 -9.547 1.00 0.00 C ATOM 116 CD1 LEU A 12 7.125 -13.824 -10.699 1.00 0.00 C ATOM 117 CD2 LEU A 12 5.174 -15.284 -9.993 1.00 0.00 C ATOM 0 H LEU A 12 6.300 -12.611 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 12 5.604 -15.454 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.983 -14.242 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.280 -15.832 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 12 5.675 -13.372 -9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.516 -13.452 -11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.794 -13.034 -10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.713 -14.676 -11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.604 -14.883 -10.831 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.675 -16.201 -10.301 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.499 -15.500 -9.165 1.00 0.00 H new ATOM 129 N GLN A 13 7.847 -13.931 -5.237 1.00 0.00 N ATOM 130 CA GLN A 13 8.765 -14.071 -4.120 1.00 0.00 C ATOM 131 C GLN A 13 8.402 -13.087 -3.006 1.00 0.00 C ATOM 132 O GLN A 13 7.464 -12.303 -3.147 1.00 0.00 O ATOM 133 CB GLN A 13 10.214 -13.877 -4.573 1.00 0.00 C ATOM 134 CG GLN A 13 11.164 -14.764 -3.767 1.00 0.00 C ATOM 135 CD GLN A 13 11.931 -15.720 -4.683 1.00 0.00 C ATOM 136 OE1 GLN A 13 12.008 -15.539 -5.888 1.00 0.00 O ATOM 137 NE2 GLN A 13 12.494 -16.744 -4.048 1.00 0.00 N ATOM 0 H GLN A 13 7.647 -12.968 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 13 8.674 -15.083 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.302 -14.113 -5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.499 -12.832 -4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.868 -14.141 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.598 -15.335 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.391 -16.836 -3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.029 -17.437 -4.572 1.00 0.00 H new ATOM 146 N THR A 14 9.164 -13.158 -1.924 1.00 0.00 N ATOM 147 CA THR A 14 8.933 -12.283 -0.788 1.00 0.00 C ATOM 148 C THR A 14 10.197 -12.176 0.068 1.00 0.00 C ATOM 149 O THR A 14 11.081 -13.028 -0.015 1.00 0.00 O ATOM 150 CB THR A 14 7.722 -12.815 -0.019 1.00 0.00 C ATOM 151 OG1 THR A 14 7.942 -14.222 0.045 1.00 0.00 O ATOM 152 CG2 THR A 14 6.420 -12.676 -0.809 1.00 0.00 C ATOM 0 H THR A 14 9.942 -13.808 -1.811 1.00 0.00 H new ATOM 0 HA THR A 14 8.709 -11.266 -1.111 1.00 0.00 H new ATOM 0 HB THR A 14 7.630 -12.282 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.594 -14.569 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.592 -13.068 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.240 -11.624 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.498 -13.236 -1.741 1.00 0.00 H new ATOM 160 N LEU A 15 10.243 -11.123 0.870 1.00 0.00 N ATOM 161 CA LEU A 15 11.384 -10.894 1.740 1.00 0.00 C ATOM 162 C LEU A 15 10.923 -10.927 3.198 1.00 0.00 C ATOM 163 O LEU A 15 9.857 -10.410 3.528 1.00 0.00 O ATOM 164 CB LEU A 15 12.103 -9.600 1.351 1.00 0.00 C ATOM 165 CG LEU A 15 12.446 -9.443 -0.132 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.048 -8.057 -0.642 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.924 -9.746 -0.387 1.00 0.00 C ATOM 0 H LEU A 15 9.508 -10.418 0.936 1.00 0.00 H new ATOM 0 HA LEU A 15 12.120 -11.689 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.480 -8.757 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.027 -9.534 1.926 1.00 0.00 H new ATOM 0 HG LEU A 15 11.866 -10.173 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.302 -7.971 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.975 -7.917 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.583 -7.294 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.142 -9.627 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.541 -9.057 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.143 -10.770 -0.084 1.00 0.00 H new ATOM 179 N GLN A 16 11.749 -11.540 4.033 1.00 0.00 N ATOM 180 CA GLN A 16 11.440 -11.647 5.449 1.00 0.00 C ATOM 181 C GLN A 16 12.187 -10.571 6.238 1.00 0.00 C ATOM 182 O GLN A 16 13.073 -10.881 7.033 1.00 0.00 O ATOM 183 CB GLN A 16 11.770 -13.044 5.978 1.00 0.00 C ATOM 184 CG GLN A 16 11.787 -13.061 7.508 1.00 0.00 C ATOM 185 CD GLN A 16 11.115 -14.324 8.050 1.00 0.00 C ATOM 186 OE1 GLN A 16 11.737 -15.172 8.668 1.00 0.00 O ATOM 187 NE2 GLN A 16 9.814 -14.401 7.784 1.00 0.00 N ATOM 0 H GLN A 16 12.632 -11.968 3.756 1.00 0.00 H new ATOM 0 HA GLN A 16 10.370 -11.488 5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.034 -13.759 5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.740 -13.361 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.816 -13.011 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.274 -12.179 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.355 -13.655 7.261 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.275 -15.206 8.103 1.00 0.00 H new ATOM 196 N GLY A 17 11.802 -9.327 5.992 1.00 0.00 N ATOM 197 CA GLY A 17 12.424 -8.203 6.670 1.00 0.00 C ATOM 198 C GLY A 17 13.574 -7.630 5.840 1.00 0.00 C ATOM 199 O GLY A 17 14.684 -8.161 5.860 1.00 0.00 O ATOM 0 H GLY A 17 11.067 -9.073 5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.681 -7.427 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.797 -8.522 7.643 1.00 0.00 H new ATOM 203 N ILE A 18 13.270 -6.554 5.129 1.00 0.00 N ATOM 204 CA ILE A 18 14.264 -5.903 4.294 1.00 0.00 C ATOM 205 C ILE A 18 14.473 -4.467 4.780 1.00 0.00 C ATOM 206 O ILE A 18 13.584 -3.882 5.397 1.00 0.00 O ATOM 207 CB ILE A 18 13.872 -6.001 2.818 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.318 -7.336 2.220 1.00 0.00 C ATOM 209 CG2 ILE A 18 14.412 -4.808 2.027 1.00 0.00 C ATOM 210 CD1 ILE A 18 15.802 -7.301 1.848 1.00 0.00 C ATOM 0 H ILE A 18 12.349 -6.117 5.114 1.00 0.00 H new ATOM 0 HA ILE A 18 15.224 -6.412 4.380 1.00 0.00 H new ATOM 0 HB ILE A 18 12.785 -5.966 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.138 -8.138 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.723 -7.559 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.119 -4.902 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.003 -3.885 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.499 -4.786 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.094 -8.262 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.975 -6.514 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.396 -7.102 2.740 1.00 0.00 H new ATOM 222 N HIS A 19 15.653 -3.942 4.485 1.00 0.00 N ATOM 223 CA HIS A 19 15.989 -2.586 4.885 1.00 0.00 C ATOM 224 C HIS A 19 14.984 -1.607 4.275 1.00 0.00 C ATOM 225 O HIS A 19 14.680 -1.684 3.086 1.00 0.00 O ATOM 226 CB HIS A 19 17.437 -2.255 4.518 1.00 0.00 C ATOM 227 CG HIS A 19 18.207 -1.565 5.618 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.558 -1.775 5.833 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.802 -0.667 6.562 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.939 -1.032 6.862 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.849 -0.347 7.313 1.00 0.00 N ATOM 0 H HIS A 19 16.388 -4.431 3.974 1.00 0.00 H new ATOM 0 HA HIS A 19 15.920 -2.495 5.969 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.953 -3.177 4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.440 -1.620 3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.800 -0.282 6.679 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.937 -0.978 7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.840 0.304 8.098 1.00 0.00 H new ATOM 239 N LEU A 20 14.497 -0.708 5.117 1.00 0.00 N ATOM 240 CA LEU A 20 13.532 0.286 4.676 1.00 0.00 C ATOM 241 C LEU A 20 14.276 1.498 4.114 1.00 0.00 C ATOM 242 O LEU A 20 13.682 2.555 3.908 1.00 0.00 O ATOM 243 CB LEU A 20 12.562 0.630 5.808 1.00 0.00 C ATOM 244 CG LEU A 20 11.646 1.831 5.564 1.00 0.00 C ATOM 245 CD1 LEU A 20 11.032 1.777 4.164 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.578 1.937 6.655 1.00 0.00 C ATOM 0 H LEU A 20 14.752 -0.647 6.103 1.00 0.00 H new ATOM 0 HA LEU A 20 12.916 -0.112 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.939 -0.243 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.141 0.818 6.712 1.00 0.00 H new ATOM 0 HG LEU A 20 12.250 2.737 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.385 2.642 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.826 1.786 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.446 0.864 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.941 2.799 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.972 1.031 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.060 2.057 7.625 1.00 0.00 H new ATOM 258 N LYS A 21 15.566 1.305 3.881 1.00 0.00 N ATOM 259 CA LYS A 21 16.398 2.369 3.346 1.00 0.00 C ATOM 260 C LYS A 21 16.378 2.307 1.817 1.00 0.00 C ATOM 261 O LYS A 21 16.737 3.275 1.148 1.00 0.00 O ATOM 262 CB LYS A 21 17.804 2.304 3.946 1.00 0.00 C ATOM 263 CG LYS A 21 18.837 2.903 2.989 1.00 0.00 C ATOM 264 CD LYS A 21 18.666 4.419 2.877 1.00 0.00 C ATOM 265 CE LYS A 21 20.003 5.137 3.071 1.00 0.00 C ATOM 266 NZ LYS A 21 20.459 5.014 4.473 1.00 0.00 N ATOM 0 H LYS A 21 16.056 0.427 4.053 1.00 0.00 H new ATOM 0 HA LYS A 21 16.000 3.343 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.824 2.844 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.063 1.268 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.842 2.672 3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.733 2.448 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.252 4.671 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.952 4.764 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.751 4.713 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.899 6.189 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 21.169 5.747 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.648 5.133 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.881 4.075 4.620 1.00 0.00 H new ATOM 280 N ASN A 22 15.955 1.159 1.309 1.00 0.00 N ATOM 281 CA ASN A 22 15.883 0.958 -0.128 1.00 0.00 C ATOM 282 C ASN A 22 14.444 1.178 -0.598 1.00 0.00 C ATOM 283 O ASN A 22 14.215 1.767 -1.654 1.00 0.00 O ATOM 284 CB ASN A 22 16.292 -0.467 -0.506 1.00 0.00 C ATOM 285 CG ASN A 22 17.741 -0.511 -0.995 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.207 0.356 -1.715 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.426 -1.567 -0.563 1.00 0.00 N ATOM 0 H ASN A 22 15.659 0.358 1.867 1.00 0.00 H new ATOM 0 HA ASN A 22 16.563 1.666 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.176 -1.123 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.630 -0.844 -1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.402 -1.687 -0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.975 -2.256 0.038 1.00 0.00 H new ATOM 294 N ILE A 23 13.511 0.692 0.207 1.00 0.00 N ATOM 295 CA ILE A 23 12.101 0.827 -0.113 1.00 0.00 C ATOM 296 C ILE A 23 11.760 2.310 -0.277 1.00 0.00 C ATOM 297 O ILE A 23 12.084 3.124 0.586 1.00 0.00 O ATOM 298 CB ILE A 23 11.243 0.111 0.931 1.00 0.00 C ATOM 299 CG1 ILE A 23 10.998 -1.346 0.534 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.934 0.865 1.177 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.289 -2.290 1.702 1.00 0.00 C ATOM 0 H ILE A 23 13.705 0.204 1.081 1.00 0.00 H new ATOM 0 HA ILE A 23 11.878 0.340 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 23 11.791 0.101 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.964 -1.470 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.630 -1.606 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.343 0.334 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.155 1.870 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.370 0.929 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.107 -3.319 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.330 -2.182 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.638 -2.043 2.541 1.00 0.00 H new ATOM 313 N GLN A 24 11.110 2.615 -1.390 1.00 0.00 N ATOM 314 CA GLN A 24 10.722 3.986 -1.678 1.00 0.00 C ATOM 315 C GLN A 24 9.197 4.113 -1.696 1.00 0.00 C ATOM 316 O GLN A 24 8.658 5.193 -1.463 1.00 0.00 O ATOM 317 CB GLN A 24 11.327 4.461 -3.001 1.00 0.00 C ATOM 318 CG GLN A 24 11.697 5.944 -2.932 1.00 0.00 C ATOM 319 CD GLN A 24 10.980 6.739 -4.026 1.00 0.00 C ATOM 320 OE1 GLN A 24 11.578 7.212 -4.979 1.00 0.00 O ATOM 321 NE2 GLN A 24 9.669 6.859 -3.836 1.00 0.00 N ATOM 0 H GLN A 24 10.842 1.937 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 24 11.112 4.627 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.214 3.871 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.616 4.297 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.431 6.344 -1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.775 6.059 -3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.232 6.438 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.101 7.372 -4.510 1.00 0.00 H new ATOM 330 N SER A 25 8.545 2.994 -1.976 1.00 0.00 N ATOM 331 CA SER A 25 7.093 2.966 -2.028 1.00 0.00 C ATOM 332 C SER A 25 6.577 1.623 -1.508 1.00 0.00 C ATOM 333 O SER A 25 7.339 0.666 -1.386 1.00 0.00 O ATOM 334 CB SER A 25 6.588 3.214 -3.451 1.00 0.00 C ATOM 335 OG SER A 25 7.621 3.691 -4.309 1.00 0.00 O ATOM 0 H SER A 25 8.996 2.100 -2.169 1.00 0.00 H new ATOM 0 HA SER A 25 6.712 3.765 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.178 2.289 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.774 3.939 -3.426 1.00 0.00 H new ATOM 0 HG SER A 25 7.472 3.356 -5.218 1.00 0.00 H new ATOM 341 N VAL A 26 5.285 1.596 -1.215 1.00 0.00 N ATOM 342 CA VAL A 26 4.657 0.386 -0.711 1.00 0.00 C ATOM 343 C VAL A 26 3.376 0.114 -1.501 1.00 0.00 C ATOM 344 O VAL A 26 2.585 1.026 -1.741 1.00 0.00 O ATOM 345 CB VAL A 26 4.416 0.510 0.795 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.438 -0.560 1.284 1.00 0.00 C ATOM 347 CG2 VAL A 26 5.735 0.442 1.569 1.00 0.00 C ATOM 0 H VAL A 26 4.656 2.392 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 26 5.314 -0.472 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 26 3.967 1.485 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.284 -0.449 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.485 -0.445 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.847 -1.549 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.535 0.533 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.224 -0.512 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.386 1.257 1.251 1.00 0.00 H new ATOM 357 N LYS A 27 3.210 -1.143 -1.883 1.00 0.00 N ATOM 358 CA LYS A 27 2.037 -1.546 -2.641 1.00 0.00 C ATOM 359 C LYS A 27 1.429 -2.797 -2.004 1.00 0.00 C ATOM 360 O LYS A 27 2.092 -3.827 -1.892 1.00 0.00 O ATOM 361 CB LYS A 27 2.389 -1.719 -4.120 1.00 0.00 C ATOM 362 CG LYS A 27 1.198 -2.271 -4.906 1.00 0.00 C ATOM 363 CD LYS A 27 -0.060 -1.439 -4.651 1.00 0.00 C ATOM 364 CE LYS A 27 -1.265 -2.025 -5.391 1.00 0.00 C ATOM 365 NZ LYS A 27 -2.020 -0.955 -6.080 1.00 0.00 N ATOM 0 H LYS A 27 3.868 -1.896 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 27 1.275 -0.767 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.693 -0.760 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.239 -2.394 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.429 -2.270 -5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.017 -3.307 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.267 -1.405 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.107 -0.412 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.929 -2.766 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.916 -2.542 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.888 -1.353 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.269 -0.211 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.433 -0.548 -6.836 1.00 0.00 H new ATOM 379 N VAL A 28 0.173 -2.667 -1.603 1.00 0.00 N ATOM 380 CA VAL A 28 -0.533 -3.773 -0.980 1.00 0.00 C ATOM 381 C VAL A 28 -1.663 -4.236 -1.902 1.00 0.00 C ATOM 382 O VAL A 28 -2.544 -3.452 -2.252 1.00 0.00 O ATOM 383 CB VAL A 28 -1.025 -3.364 0.410 1.00 0.00 C ATOM 384 CG1 VAL A 28 -2.280 -4.147 0.799 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.078 -3.541 1.455 1.00 0.00 C ATOM 0 H VAL A 28 -0.374 -1.811 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 28 0.137 -4.621 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.287 -2.307 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.609 -3.837 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.071 -3.949 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.055 -5.214 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.297 -3.243 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.385 -4.586 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.933 -2.919 1.190 1.00 0.00 H new ATOM 395 N LYS A 29 -1.601 -5.507 -2.270 1.00 0.00 N ATOM 396 CA LYS A 29 -2.608 -6.083 -3.144 1.00 0.00 C ATOM 397 C LYS A 29 -3.230 -7.305 -2.464 1.00 0.00 C ATOM 398 O LYS A 29 -2.779 -8.431 -2.669 1.00 0.00 O ATOM 399 CB LYS A 29 -2.014 -6.383 -4.522 1.00 0.00 C ATOM 400 CG LYS A 29 -3.080 -6.280 -5.614 1.00 0.00 C ATOM 401 CD LYS A 29 -3.923 -7.555 -5.679 1.00 0.00 C ATOM 402 CE LYS A 29 -4.482 -7.771 -7.087 1.00 0.00 C ATOM 403 NZ LYS A 29 -5.015 -9.144 -7.228 1.00 0.00 N ATOM 0 H LYS A 29 -0.869 -6.154 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.414 -5.370 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.204 -5.684 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.581 -7.383 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.725 -5.423 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.602 -6.106 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.315 -8.412 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.743 -7.490 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.271 -7.046 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.699 -7.601 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.390 -9.274 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.253 -9.831 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.777 -9.293 -6.536 1.00 0.00 H new ATOM 417 N SER A 30 -4.255 -7.040 -1.668 1.00 0.00 N ATOM 418 CA SER A 30 -4.944 -8.104 -0.956 1.00 0.00 C ATOM 419 C SER A 30 -5.271 -9.249 -1.916 1.00 0.00 C ATOM 420 O SER A 30 -5.009 -9.155 -3.114 1.00 0.00 O ATOM 421 CB SER A 30 -6.221 -7.586 -0.292 1.00 0.00 C ATOM 422 OG SER A 30 -7.391 -7.993 -0.997 1.00 0.00 O ATOM 0 H SER A 30 -4.625 -6.105 -1.500 1.00 0.00 H new ATOM 0 HA SER A 30 -4.284 -8.474 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.270 -7.951 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.188 -6.498 -0.242 1.00 0.00 H new ATOM 0 HG SER A 30 -8.185 -7.644 -0.542 1.00 0.00 H new ATOM 428 N PRO A 31 -5.854 -10.334 -1.338 1.00 0.00 N ATOM 429 CA PRO A 31 -6.220 -11.497 -2.129 1.00 0.00 C ATOM 430 C PRO A 31 -7.475 -11.221 -2.961 1.00 0.00 C ATOM 431 O PRO A 31 -8.088 -10.163 -2.834 1.00 0.00 O ATOM 432 CB PRO A 31 -6.412 -12.616 -1.119 1.00 0.00 C ATOM 433 CG PRO A 31 -6.602 -11.934 0.227 1.00 0.00 C ATOM 434 CD PRO A 31 -6.180 -10.482 0.077 1.00 0.00 C ATOM 0 HA PRO A 31 -5.457 -11.765 -2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.278 -13.227 -1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.547 -13.280 -1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.643 -11.998 0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.004 -12.428 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.981 -9.804 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.321 -10.252 0.707 1.00 0.00 H new ATOM 442 N GLY A 32 -7.818 -12.192 -3.794 1.00 0.00 N ATOM 443 CA GLY A 32 -8.988 -12.068 -4.647 1.00 0.00 C ATOM 444 C GLY A 32 -9.601 -13.439 -4.940 1.00 0.00 C ATOM 445 O GLY A 32 -9.315 -14.412 -4.245 1.00 0.00 O ATOM 0 H GLY A 32 -7.306 -13.068 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.728 -11.430 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.711 -11.582 -5.583 1.00 0.00 H new ATOM 449 N PRO A 33 -10.455 -13.472 -5.998 1.00 0.00 N ATOM 450 CA PRO A 33 -11.111 -14.707 -6.392 1.00 0.00 C ATOM 451 C PRO A 33 -10.134 -15.643 -7.107 1.00 0.00 C ATOM 452 O PRO A 33 -10.511 -16.735 -7.530 1.00 0.00 O ATOM 453 CB PRO A 33 -12.270 -14.273 -7.274 1.00 0.00 C ATOM 454 CG PRO A 33 -11.947 -12.856 -7.719 1.00 0.00 C ATOM 455 CD PRO A 33 -10.817 -12.339 -6.845 1.00 0.00 C ATOM 0 HA PRO A 33 -11.471 -15.283 -5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.378 -14.937 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.211 -14.305 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.654 -12.843 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.825 -12.217 -7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.971 -12.008 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.137 -11.485 -6.248 1.00 0.00 H new ATOM 463 N HIS A 34 -8.897 -15.182 -7.219 1.00 0.00 N ATOM 464 CA HIS A 34 -7.863 -15.964 -7.875 1.00 0.00 C ATOM 465 C HIS A 34 -6.815 -16.395 -6.846 1.00 0.00 C ATOM 466 O HIS A 34 -6.456 -17.569 -6.775 1.00 0.00 O ATOM 467 CB HIS A 34 -7.258 -15.190 -9.048 1.00 0.00 C ATOM 468 CG HIS A 34 -7.211 -13.695 -8.839 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.350 -12.916 -8.740 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.150 -12.847 -8.709 1.00 0.00 C ATOM 471 CE1 HIS A 34 -7.980 -11.656 -8.561 1.00 0.00 C ATOM 472 NE2 HIS A 34 -6.616 -11.616 -8.543 1.00 0.00 N ATOM 0 H HIS A 34 -8.587 -14.276 -6.866 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.300 -16.868 -8.299 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.246 -15.554 -9.226 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.836 -15.403 -9.947 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.311 -13.254 -8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.108 -13.130 -8.737 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.642 -10.810 -8.449 1.00 0.00 H new ATOM 480 N CYS A 35 -6.355 -15.421 -6.074 1.00 0.00 N ATOM 481 CA CYS A 35 -5.356 -15.685 -5.053 1.00 0.00 C ATOM 482 C CYS A 35 -5.958 -15.336 -3.690 1.00 0.00 C ATOM 483 O CYS A 35 -6.353 -14.195 -3.456 1.00 0.00 O ATOM 484 CB CYS A 35 -4.060 -14.916 -5.317 1.00 0.00 C ATOM 485 SG CYS A 35 -2.542 -15.938 -5.293 1.00 0.00 S ATOM 0 H CYS A 35 -6.656 -14.448 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.085 -16.741 -5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.136 -14.426 -6.288 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.963 -14.129 -4.570 1.00 0.00 H new ATOM 490 N ALA A 36 -6.010 -16.341 -2.828 1.00 0.00 N ATOM 491 CA ALA A 36 -6.558 -16.154 -1.495 1.00 0.00 C ATOM 492 C ALA A 36 -5.428 -15.786 -0.531 1.00 0.00 C ATOM 493 O ALA A 36 -5.540 -16.005 0.675 1.00 0.00 O ATOM 494 CB ALA A 36 -7.300 -17.422 -1.066 1.00 0.00 C ATOM 0 H ALA A 36 -5.682 -17.286 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.278 -15.336 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.711 -17.282 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.110 -17.624 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.608 -18.264 -1.059 1.00 0.00 H new ATOM 500 N GLN A 37 -4.366 -15.234 -1.098 1.00 0.00 N ATOM 501 CA GLN A 37 -3.217 -14.833 -0.304 1.00 0.00 C ATOM 502 C GLN A 37 -2.875 -13.366 -0.567 1.00 0.00 C ATOM 503 O GLN A 37 -3.277 -12.804 -1.585 1.00 0.00 O ATOM 504 CB GLN A 37 -2.014 -15.736 -0.586 1.00 0.00 C ATOM 505 CG GLN A 37 -2.411 -17.212 -0.531 1.00 0.00 C ATOM 506 CD GLN A 37 -2.178 -17.792 0.865 1.00 0.00 C ATOM 507 OE1 GLN A 37 -1.189 -17.513 1.524 1.00 0.00 O ATOM 508 NE2 GLN A 37 -3.139 -18.612 1.279 1.00 0.00 N ATOM 0 H GLN A 37 -4.277 -15.055 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.473 -14.942 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.602 -15.503 -1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.229 -15.540 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.461 -17.320 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.833 -17.775 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.940 -18.803 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.075 -19.050 2.198 1.00 0.00 H new ATOM 517 N THR A 38 -2.136 -12.786 0.368 1.00 0.00 N ATOM 518 CA THR A 38 -1.736 -11.394 0.249 1.00 0.00 C ATOM 519 C THR A 38 -0.594 -11.252 -0.760 1.00 0.00 C ATOM 520 O THR A 38 0.074 -12.231 -1.088 1.00 0.00 O ATOM 521 CB THR A 38 -1.379 -10.884 1.647 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.525 -11.195 2.433 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.288 -9.358 1.708 1.00 0.00 C ATOM 0 H THR A 38 -1.804 -13.255 1.211 1.00 0.00 H new ATOM 0 HA THR A 38 -2.549 -10.780 -0.139 1.00 0.00 H new ATOM 0 HB THR A 38 -0.429 -11.317 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.379 -10.900 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.032 -9.049 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.519 -9.012 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.248 -8.925 1.428 1.00 0.00 H new ATOM 531 N GLU A 39 -0.407 -10.025 -1.223 1.00 0.00 N ATOM 532 CA GLU A 39 0.642 -9.742 -2.188 1.00 0.00 C ATOM 533 C GLU A 39 1.239 -8.356 -1.932 1.00 0.00 C ATOM 534 O GLU A 39 0.918 -7.399 -2.634 1.00 0.00 O ATOM 535 CB GLU A 39 0.116 -9.856 -3.620 1.00 0.00 C ATOM 536 CG GLU A 39 0.025 -11.320 -4.056 1.00 0.00 C ATOM 537 CD GLU A 39 -1.408 -11.688 -4.447 1.00 0.00 C ATOM 538 OE1 GLU A 39 -1.797 -11.328 -5.578 1.00 0.00 O ATOM 539 OE2 GLU A 39 -2.081 -12.321 -3.605 1.00 0.00 O ATOM 0 H GLU A 39 -0.964 -9.216 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 39 1.431 -10.485 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.867 -9.391 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.774 -9.311 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.692 -11.494 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.362 -11.966 -3.245 1.00 0.00 H new ATOM 546 N VAL A 40 2.097 -8.294 -0.924 1.00 0.00 N ATOM 547 CA VAL A 40 2.742 -7.041 -0.567 1.00 0.00 C ATOM 548 C VAL A 40 3.921 -6.792 -1.510 1.00 0.00 C ATOM 549 O VAL A 40 4.810 -7.633 -1.633 1.00 0.00 O ATOM 550 CB VAL A 40 3.150 -7.065 0.907 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.825 -5.753 1.310 1.00 0.00 C ATOM 552 CG2 VAL A 40 1.947 -7.360 1.805 1.00 0.00 C ATOM 0 H VAL A 40 2.361 -9.090 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 40 2.050 -6.207 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 40 3.873 -7.870 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.105 -5.796 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.717 -5.602 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.134 -4.925 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.265 -7.371 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.190 -6.588 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.527 -8.331 1.543 1.00 0.00 H new ATOM 562 N ILE A 41 3.890 -5.633 -2.151 1.00 0.00 N ATOM 563 CA ILE A 41 4.945 -5.263 -3.079 1.00 0.00 C ATOM 564 C ILE A 41 5.476 -3.876 -2.713 1.00 0.00 C ATOM 565 O ILE A 41 4.730 -2.898 -2.727 1.00 0.00 O ATOM 566 CB ILE A 41 4.450 -5.371 -4.523 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.773 -6.721 -4.771 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.587 -5.109 -5.513 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.348 -6.531 -5.294 1.00 0.00 C ATOM 0 H ILE A 41 3.151 -4.938 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 41 5.782 -5.956 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 41 3.698 -4.599 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.355 -7.297 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.751 -7.296 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.209 -5.192 -6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.984 -4.107 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.379 -5.842 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.889 -7.505 -5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.762 -5.976 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.376 -5.976 -6.232 1.00 0.00 H new ATOM 581 N ALA A 42 6.761 -3.835 -2.394 1.00 0.00 N ATOM 582 CA ALA A 42 7.401 -2.583 -2.025 1.00 0.00 C ATOM 583 C ALA A 42 8.344 -2.147 -3.149 1.00 0.00 C ATOM 584 O ALA A 42 9.131 -2.949 -3.650 1.00 0.00 O ATOM 585 CB ALA A 42 8.126 -2.755 -0.689 1.00 0.00 C ATOM 0 H ALA A 42 7.377 -4.648 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 42 6.658 -1.796 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.606 -1.816 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.408 -3.036 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.882 -3.535 -0.783 1.00 0.00 H new ATOM 591 N THR A 43 8.234 -0.877 -3.511 1.00 0.00 N ATOM 592 CA THR A 43 9.066 -0.325 -4.565 1.00 0.00 C ATOM 593 C THR A 43 10.433 0.080 -4.009 1.00 0.00 C ATOM 594 O THR A 43 10.535 0.525 -2.867 1.00 0.00 O ATOM 595 CB THR A 43 8.305 0.835 -5.210 1.00 0.00 C ATOM 596 OG1 THR A 43 7.260 0.201 -5.942 1.00 0.00 O ATOM 597 CG2 THR A 43 9.129 1.552 -6.282 1.00 0.00 C ATOM 0 H THR A 43 7.581 -0.215 -3.092 1.00 0.00 H new ATOM 0 HA THR A 43 9.271 -1.067 -5.336 1.00 0.00 H new ATOM 0 HB THR A 43 8.011 1.549 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.716 0.881 -6.391 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.543 2.366 -6.708 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.037 1.955 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.395 0.846 -7.069 1.00 0.00 H new ATOM 605 N LEU A 44 11.449 -0.089 -4.842 1.00 0.00 N ATOM 606 CA LEU A 44 12.805 0.253 -4.448 1.00 0.00 C ATOM 607 C LEU A 44 13.119 1.680 -4.901 1.00 0.00 C ATOM 608 O LEU A 44 12.576 2.151 -5.899 1.00 0.00 O ATOM 609 CB LEU A 44 13.795 -0.790 -4.972 1.00 0.00 C ATOM 610 CG LEU A 44 14.805 -1.326 -3.955 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.455 -2.617 -4.457 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.844 -0.261 -3.602 1.00 0.00 C ATOM 0 H LEU A 44 11.360 -0.458 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 44 12.902 0.234 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.229 -1.632 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.345 -0.353 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 44 14.270 -1.570 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.169 -2.977 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.686 -3.373 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.974 -2.422 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.550 -0.667 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.380 0.037 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.344 0.607 -3.173 1.00 0.00 H new ATOM 624 N LYS A 45 13.994 2.328 -4.146 1.00 0.00 N ATOM 625 CA LYS A 45 14.386 3.692 -4.457 1.00 0.00 C ATOM 626 C LYS A 45 15.316 3.685 -5.672 1.00 0.00 C ATOM 627 O LYS A 45 15.703 4.743 -6.168 1.00 0.00 O ATOM 628 CB LYS A 45 14.988 4.370 -3.226 1.00 0.00 C ATOM 629 CG LYS A 45 15.925 5.511 -3.631 1.00 0.00 C ATOM 630 CD LYS A 45 15.163 6.606 -4.379 1.00 0.00 C ATOM 631 CE LYS A 45 15.115 7.898 -3.560 1.00 0.00 C ATOM 632 NZ LYS A 45 16.401 8.624 -3.661 1.00 0.00 N ATOM 0 H LYS A 45 14.443 1.933 -3.319 1.00 0.00 H new ATOM 0 HA LYS A 45 13.514 4.288 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.190 4.758 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.536 3.637 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.396 5.932 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.725 5.123 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.643 6.797 -5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.149 6.268 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.304 8.532 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.902 7.666 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.510 9.253 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.185 7.941 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.413 9.189 -4.534 1.00 0.00 H new ATOM 646 N ASN A 46 15.647 2.482 -6.118 1.00 0.00 N ATOM 647 CA ASN A 46 16.524 2.324 -7.265 1.00 0.00 C ATOM 648 C ASN A 46 15.681 2.057 -8.513 1.00 0.00 C ATOM 649 O ASN A 46 16.199 2.058 -9.629 1.00 0.00 O ATOM 650 CB ASN A 46 17.474 1.140 -7.074 1.00 0.00 C ATOM 651 CG ASN A 46 17.660 0.369 -8.383 1.00 0.00 C ATOM 652 OD1 ASN A 46 18.188 0.873 -9.360 1.00 0.00 O ATOM 653 ND2 ASN A 46 17.197 -0.877 -8.346 1.00 0.00 N ATOM 0 H ASN A 46 15.323 1.607 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 46 17.106 3.239 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.440 1.498 -6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.080 0.473 -6.308 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.273 -1.474 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.766 -1.236 -7.494 1.00 0.00 H new ATOM 660 N GLY A 47 14.395 1.836 -8.283 1.00 0.00 N ATOM 661 CA GLY A 47 13.475 1.567 -9.375 1.00 0.00 C ATOM 662 C GLY A 47 13.009 0.110 -9.354 1.00 0.00 C ATOM 663 O GLY A 47 12.070 -0.255 -10.060 1.00 0.00 O ATOM 0 H GLY A 47 13.968 1.838 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.613 2.229 -9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.961 1.783 -10.326 1.00 0.00 H new ATOM 667 N GLN A 48 13.687 -0.683 -8.538 1.00 0.00 N ATOM 668 CA GLN A 48 13.354 -2.092 -8.416 1.00 0.00 C ATOM 669 C GLN A 48 12.186 -2.279 -7.445 1.00 0.00 C ATOM 670 O GLN A 48 11.586 -1.305 -6.995 1.00 0.00 O ATOM 671 CB GLN A 48 14.571 -2.906 -7.973 1.00 0.00 C ATOM 672 CG GLN A 48 15.397 -3.358 -9.180 1.00 0.00 C ATOM 673 CD GLN A 48 16.606 -4.185 -8.738 1.00 0.00 C ATOM 674 OE1 GLN A 48 17.439 -3.748 -7.962 1.00 0.00 O ATOM 675 NE2 GLN A 48 16.655 -5.401 -9.274 1.00 0.00 N ATOM 0 H GLN A 48 14.466 -0.377 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 48 13.049 -2.460 -9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.191 -2.306 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.244 -3.777 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.774 -3.949 -9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.734 -2.487 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.924 -5.705 -9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.423 -6.030 -9.042 1.00 0.00 H new ATOM 684 N LYS A 49 11.900 -3.539 -7.151 1.00 0.00 N ATOM 685 CA LYS A 49 10.815 -3.867 -6.242 1.00 0.00 C ATOM 686 C LYS A 49 11.199 -5.098 -5.418 1.00 0.00 C ATOM 687 O LYS A 49 11.879 -5.994 -5.915 1.00 0.00 O ATOM 688 CB LYS A 49 9.502 -4.027 -7.010 1.00 0.00 C ATOM 689 CG LYS A 49 9.201 -2.783 -7.847 1.00 0.00 C ATOM 690 CD LYS A 49 7.735 -2.758 -8.286 1.00 0.00 C ATOM 691 CE LYS A 49 7.519 -1.755 -9.421 1.00 0.00 C ATOM 692 NZ LYS A 49 6.088 -1.395 -9.529 1.00 0.00 N ATOM 0 H LYS A 49 12.401 -4.345 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 49 10.649 -3.051 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.560 -4.901 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.686 -4.204 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.426 -1.888 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.847 -2.766 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.433 -3.753 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.102 -2.495 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.113 -0.859 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.865 -2.182 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.959 -0.714 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.529 -2.250 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.769 -0.968 -8.636 1.00 0.00 H new ATOM 706 N ALA A 50 10.748 -5.101 -4.172 1.00 0.00 N ATOM 707 CA ALA A 50 11.037 -6.207 -3.275 1.00 0.00 C ATOM 708 C ALA A 50 9.742 -6.659 -2.597 1.00 0.00 C ATOM 709 O ALA A 50 9.187 -5.941 -1.767 1.00 0.00 O ATOM 710 CB ALA A 50 12.105 -5.780 -2.265 1.00 0.00 C ATOM 0 H ALA A 50 10.185 -4.355 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 50 11.434 -7.057 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.322 -6.610 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.014 -5.496 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.741 -4.930 -1.688 1.00 0.00 H new ATOM 716 N CYS A 51 9.298 -7.849 -2.976 1.00 0.00 N ATOM 717 CA CYS A 51 8.078 -8.406 -2.416 1.00 0.00 C ATOM 718 C CYS A 51 8.327 -8.716 -0.938 1.00 0.00 C ATOM 719 O CYS A 51 9.401 -9.190 -0.572 1.00 0.00 O ATOM 720 CB CYS A 51 7.614 -9.642 -3.188 1.00 0.00 C ATOM 721 SG CYS A 51 6.602 -9.286 -4.670 1.00 0.00 S ATOM 0 H CYS A 51 9.761 -8.443 -3.664 1.00 0.00 H new ATOM 0 HA CYS A 51 7.270 -7.680 -2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.491 -10.213 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.038 -10.278 -2.516 1.00 0.00 H new ATOM 726 N LEU A 52 7.316 -8.434 -0.130 1.00 0.00 N ATOM 727 CA LEU A 52 7.411 -8.677 1.300 1.00 0.00 C ATOM 728 C LEU A 52 6.605 -9.928 1.655 1.00 0.00 C ATOM 729 O LEU A 52 5.806 -10.405 0.851 1.00 0.00 O ATOM 730 CB LEU A 52 6.991 -7.432 2.084 1.00 0.00 C ATOM 731 CG LEU A 52 7.868 -6.193 1.894 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.157 -4.935 2.398 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.235 -6.382 2.556 1.00 0.00 C ATOM 0 H LEU A 52 6.427 -8.040 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 52 8.445 -8.872 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.970 -7.177 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.976 -7.683 3.145 1.00 0.00 H new ATOM 0 HG LEU A 52 8.042 -6.059 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.802 -4.069 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.229 -4.795 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.932 -5.044 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.839 -5.487 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.101 -6.555 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.740 -7.239 2.110 1.00 0.00 H new ATOM 745 N ASN A 53 6.842 -10.424 2.860 1.00 0.00 N ATOM 746 CA ASN A 53 6.149 -11.610 3.332 1.00 0.00 C ATOM 747 C ASN A 53 4.982 -11.191 4.229 1.00 0.00 C ATOM 748 O ASN A 53 5.192 -10.721 5.346 1.00 0.00 O ATOM 749 CB ASN A 53 7.080 -12.503 4.154 1.00 0.00 C ATOM 750 CG ASN A 53 6.707 -13.978 3.995 1.00 0.00 C ATOM 751 OD1 ASN A 53 6.538 -14.488 2.900 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.588 -14.633 5.147 1.00 0.00 N ATOM 0 H ASN A 53 7.505 -10.025 3.525 1.00 0.00 H new ATOM 0 HA ASN A 53 5.796 -12.162 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.111 -12.349 3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.025 -12.222 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.342 -15.623 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.743 -14.145 6.029 1.00 0.00 H new ATOM 759 N PRO A 54 3.747 -11.381 3.692 1.00 0.00 N ATOM 760 CA PRO A 54 2.547 -11.028 4.432 1.00 0.00 C ATOM 761 C PRO A 54 2.263 -12.049 5.536 1.00 0.00 C ATOM 762 O PRO A 54 1.127 -12.492 5.698 1.00 0.00 O ATOM 763 CB PRO A 54 1.446 -10.961 3.387 1.00 0.00 C ATOM 764 CG PRO A 54 1.967 -11.729 2.183 1.00 0.00 C ATOM 765 CD PRO A 54 3.461 -11.935 2.372 1.00 0.00 C ATOM 0 HA PRO A 54 2.640 -10.076 4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.523 -11.403 3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.220 -9.928 3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.458 -12.689 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.771 -11.177 1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.725 -12.991 2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.032 -11.425 1.596 1.00 0.00 H new ATOM 773 N ALA A 55 3.314 -12.392 6.265 1.00 0.00 N ATOM 774 CA ALA A 55 3.192 -13.352 7.349 1.00 0.00 C ATOM 775 C ALA A 55 4.362 -13.173 8.318 1.00 0.00 C ATOM 776 O ALA A 55 4.747 -14.112 9.014 1.00 0.00 O ATOM 777 CB ALA A 55 3.125 -14.768 6.772 1.00 0.00 C ATOM 0 H ALA A 55 4.255 -12.022 6.127 1.00 0.00 H new ATOM 0 HA ALA A 55 2.272 -13.183 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.034 -15.488 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.260 -14.852 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.033 -14.974 6.206 1.00 0.00 H new ATOM 783 N SER A 56 4.896 -11.960 8.333 1.00 0.00 N ATOM 784 CA SER A 56 6.015 -11.646 9.205 1.00 0.00 C ATOM 785 C SER A 56 5.709 -10.383 10.014 1.00 0.00 C ATOM 786 O SER A 56 5.054 -9.468 9.518 1.00 0.00 O ATOM 787 CB SER A 56 7.305 -11.463 8.403 1.00 0.00 C ATOM 788 OG SER A 56 8.419 -11.174 9.243 1.00 0.00 O ATOM 0 H SER A 56 4.574 -11.183 7.755 1.00 0.00 H new ATOM 0 HA SER A 56 6.161 -12.482 9.889 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.508 -12.368 7.831 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.173 -10.654 7.684 1.00 0.00 H new ATOM 0 HG SER A 56 9.223 -11.066 8.694 1.00 0.00 H new ATOM 794 N PRO A 57 6.210 -10.374 11.278 1.00 0.00 N ATOM 795 CA PRO A 57 5.998 -9.239 12.160 1.00 0.00 C ATOM 796 C PRO A 57 6.889 -8.061 11.761 1.00 0.00 C ATOM 797 O PRO A 57 6.863 -7.013 12.405 1.00 0.00 O ATOM 798 CB PRO A 57 6.295 -9.764 13.555 1.00 0.00 C ATOM 799 CG PRO A 57 7.108 -11.033 13.358 1.00 0.00 C ATOM 800 CD PRO A 57 6.990 -11.441 11.899 1.00 0.00 C ATOM 0 HA PRO A 57 4.982 -8.847 12.105 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.851 -9.030 14.138 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.373 -9.971 14.099 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.151 -10.863 13.623 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.739 -11.827 14.007 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.971 -11.537 11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.493 -12.406 11.796 1.00 0.00 H new ATOM 808 N MET A 58 7.655 -8.272 10.701 1.00 0.00 N ATOM 809 CA MET A 58 8.552 -7.240 10.209 1.00 0.00 C ATOM 810 C MET A 58 7.964 -6.542 8.982 1.00 0.00 C ATOM 811 O MET A 58 8.416 -5.464 8.600 1.00 0.00 O ATOM 812 CB MET A 58 9.899 -7.867 9.844 1.00 0.00 C ATOM 813 CG MET A 58 11.058 -6.968 10.279 1.00 0.00 C ATOM 814 SD MET A 58 11.028 -6.748 12.051 1.00 0.00 S ATOM 815 CE MET A 58 10.714 -8.428 12.566 1.00 0.00 C ATOM 0 H MET A 58 7.673 -9.142 10.169 1.00 0.00 H new ATOM 0 HA MET A 58 8.688 -6.497 10.995 1.00 0.00 H new ATOM 0 HB2 MET A 58 9.992 -8.842 10.322 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.947 -8.033 8.768 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.007 -7.411 9.975 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.985 -6.000 9.783 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.042 -8.560 13.597 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.647 -8.637 12.495 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.261 -9.115 11.920 1.00 0.00 H new ATOM 825 N VAL A 59 6.964 -7.186 8.397 1.00 0.00 N ATOM 826 CA VAL A 59 6.309 -6.640 7.220 1.00 0.00 C ATOM 827 C VAL A 59 5.302 -5.572 7.651 1.00 0.00 C ATOM 828 O VAL A 59 4.913 -4.721 6.853 1.00 0.00 O ATOM 829 CB VAL A 59 5.673 -7.768 6.405 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.520 -7.242 5.548 1.00 0.00 C ATOM 831 CG2 VAL A 59 6.719 -8.476 5.541 1.00 0.00 C ATOM 0 H VAL A 59 6.592 -8.080 8.716 1.00 0.00 H new ATOM 0 HA VAL A 59 7.036 -6.156 6.568 1.00 0.00 H new ATOM 0 HB VAL A 59 5.265 -8.498 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.085 -8.064 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.758 -6.804 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.894 -6.483 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.241 -9.273 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.169 -7.759 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.493 -8.900 6.181 1.00 0.00 H new ATOM 841 N LYS A 60 4.907 -5.653 8.914 1.00 0.00 N ATOM 842 CA LYS A 60 3.952 -4.704 9.461 1.00 0.00 C ATOM 843 C LYS A 60 4.707 -3.566 10.150 1.00 0.00 C ATOM 844 O LYS A 60 4.095 -2.682 10.748 1.00 0.00 O ATOM 845 CB LYS A 60 2.949 -5.417 10.371 1.00 0.00 C ATOM 846 CG LYS A 60 2.224 -6.535 9.618 1.00 0.00 C ATOM 847 CD LYS A 60 3.122 -7.764 9.464 1.00 0.00 C ATOM 848 CE LYS A 60 2.300 -9.053 9.515 1.00 0.00 C ATOM 849 NZ LYS A 60 1.740 -9.365 8.181 1.00 0.00 N ATOM 0 H LYS A 60 5.231 -6.361 9.573 1.00 0.00 H new ATOM 0 HA LYS A 60 3.360 -4.256 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.468 -5.833 11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.222 -4.699 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.315 -6.809 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.919 -6.178 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.661 -7.709 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.870 -7.774 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.927 -9.878 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.492 -8.948 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.185 -10.243 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.125 -8.585 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.515 -9.486 7.499 1.00 0.00 H new ATOM 863 N LYS A 61 6.027 -3.626 10.045 1.00 0.00 N ATOM 864 CA LYS A 61 6.872 -2.612 10.652 1.00 0.00 C ATOM 865 C LYS A 61 7.648 -1.879 9.555 1.00 0.00 C ATOM 866 O LYS A 61 8.195 -0.802 9.791 1.00 0.00 O ATOM 867 CB LYS A 61 7.766 -3.232 11.727 1.00 0.00 C ATOM 868 CG LYS A 61 9.066 -3.765 11.120 1.00 0.00 C ATOM 869 CD LYS A 61 10.216 -2.778 11.334 1.00 0.00 C ATOM 870 CE LYS A 61 11.469 -3.225 10.579 1.00 0.00 C ATOM 871 NZ LYS A 61 12.102 -2.074 9.898 1.00 0.00 N ATOM 0 H LYS A 61 6.531 -4.361 9.549 1.00 0.00 H new ATOM 0 HA LYS A 61 6.264 -1.868 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.995 -2.487 12.489 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.234 -4.043 12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.316 -4.724 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.928 -3.942 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.917 -1.786 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.438 -2.697 12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.177 -3.678 11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.207 -3.989 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.951 -2.395 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.430 -1.659 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.370 -1.358 10.603 1.00 0.00 H new ATOM 885 N ILE A 62 7.671 -2.491 8.380 1.00 0.00 N ATOM 886 CA ILE A 62 8.370 -1.909 7.247 1.00 0.00 C ATOM 887 C ILE A 62 7.400 -1.037 6.448 1.00 0.00 C ATOM 888 O ILE A 62 7.824 -0.204 5.648 1.00 0.00 O ATOM 889 CB ILE A 62 9.042 -3.003 6.414 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.072 -3.770 7.246 1.00 0.00 C ATOM 891 CG2 ILE A 62 9.654 -2.422 5.138 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.206 -5.214 6.758 1.00 0.00 C ATOM 0 H ILE A 62 7.217 -3.384 8.188 1.00 0.00 H new ATOM 0 HA ILE A 62 9.176 -1.259 7.589 1.00 0.00 H new ATOM 0 HB ILE A 62 8.278 -3.718 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.039 -3.271 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.775 -3.763 8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.125 -3.220 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.872 -1.957 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.402 -1.674 5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.944 -5.737 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.243 -5.718 6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.526 -5.218 5.716 1.00 0.00 H new ATOM 904 N ILE A 63 6.117 -1.257 6.692 1.00 0.00 N ATOM 905 CA ILE A 63 5.083 -0.501 6.006 1.00 0.00 C ATOM 906 C ILE A 63 4.708 0.721 6.846 1.00 0.00 C ATOM 907 O ILE A 63 4.825 1.855 6.385 1.00 0.00 O ATOM 908 CB ILE A 63 3.895 -1.403 5.667 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.221 -2.319 4.486 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.632 -0.576 5.420 1.00 0.00 C ATOM 911 CD1 ILE A 63 3.402 -3.610 4.550 1.00 0.00 C ATOM 0 H ILE A 63 5.769 -1.949 7.356 1.00 0.00 H new ATOM 0 HA ILE A 63 5.454 -0.129 5.051 1.00 0.00 H new ATOM 0 HB ILE A 63 3.697 -2.044 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.014 -1.799 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.284 -2.558 4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.802 -1.241 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.391 -0.003 6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.801 0.107 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.653 -4.243 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.629 -4.139 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.339 -3.369 4.521 1.00 0.00 H new ATOM 923 N GLU A 64 4.264 0.448 8.064 1.00 0.00 N ATOM 924 CA GLU A 64 3.871 1.512 8.973 1.00 0.00 C ATOM 925 C GLU A 64 4.949 2.596 9.020 1.00 0.00 C ATOM 926 O GLU A 64 4.639 3.781 9.131 1.00 0.00 O ATOM 927 CB GLU A 64 3.587 0.960 10.372 1.00 0.00 C ATOM 928 CG GLU A 64 2.343 0.070 10.368 1.00 0.00 C ATOM 929 CD GLU A 64 2.351 -0.889 11.560 1.00 0.00 C ATOM 930 OE1 GLU A 64 2.908 -0.490 12.606 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.801 -2.000 11.399 1.00 0.00 O ATOM 0 H GLU A 64 4.168 -0.494 8.443 1.00 0.00 H new ATOM 0 HA GLU A 64 2.950 1.960 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.446 0.388 10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.446 1.785 11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.447 0.690 10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.302 -0.499 9.439 1.00 0.00 H new ATOM 938 N LYS A 65 6.195 2.152 8.932 1.00 0.00 N ATOM 939 CA LYS A 65 7.321 3.070 8.963 1.00 0.00 C ATOM 940 C LYS A 65 7.374 3.849 7.647 1.00 0.00 C ATOM 941 O LYS A 65 7.686 5.039 7.639 1.00 0.00 O ATOM 942 CB LYS A 65 8.614 2.320 9.286 1.00 0.00 C ATOM 943 CG LYS A 65 9.025 2.538 10.744 1.00 0.00 C ATOM 944 CD LYS A 65 10.204 3.509 10.842 1.00 0.00 C ATOM 945 CE LYS A 65 10.721 3.601 12.279 1.00 0.00 C ATOM 946 NZ LYS A 65 11.972 4.389 12.330 1.00 0.00 N ATOM 0 H LYS A 65 6.449 1.169 8.839 1.00 0.00 H new ATOM 0 HA LYS A 65 7.196 3.801 9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.477 1.255 9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.411 2.661 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.179 2.929 11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.297 1.584 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.007 3.179 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.896 4.497 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.966 4.064 12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.898 2.600 12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.309 4.442 13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.695 3.931 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.792 5.349 11.974 1.00 0.00 H new ATOM 960 N MET A 66 7.064 3.147 6.568 1.00 0.00 N ATOM 961 CA MET A 66 7.072 3.758 5.249 1.00 0.00 C ATOM 962 C MET A 66 6.128 4.961 5.197 1.00 0.00 C ATOM 963 O MET A 66 6.448 5.979 4.585 1.00 0.00 O ATOM 964 CB MET A 66 6.643 2.726 4.205 1.00 0.00 C ATOM 965 CG MET A 66 7.787 2.415 3.238 1.00 0.00 C ATOM 966 SD MET A 66 8.055 3.800 2.144 1.00 0.00 S ATOM 967 CE MET A 66 6.392 4.048 1.545 1.00 0.00 C ATOM 0 H MET A 66 6.805 2.160 6.579 1.00 0.00 H new ATOM 0 HA MET A 66 8.083 4.104 5.035 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.324 1.810 4.703 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.784 3.102 3.649 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.698 2.201 3.797 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.551 1.523 2.658 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.426 4.470 0.541 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.868 3.092 1.519 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.865 4.733 2.209 1.00 0.00 H new ATOM 977 N LEU A 67 4.984 4.804 5.847 1.00 0.00 N ATOM 978 CA LEU A 67 3.992 5.864 5.882 1.00 0.00 C ATOM 979 C LEU A 67 4.532 7.036 6.705 1.00 0.00 C ATOM 980 O LEU A 67 4.000 8.143 6.640 1.00 0.00 O ATOM 981 CB LEU A 67 2.650 5.327 6.384 1.00 0.00 C ATOM 982 CG LEU A 67 1.846 4.492 5.385 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.703 3.374 4.789 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.566 3.953 6.026 1.00 0.00 C ATOM 0 H LEU A 67 4.722 3.958 6.354 1.00 0.00 H new ATOM 0 HA LEU A 67 3.802 6.240 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.833 4.720 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.037 6.172 6.697 1.00 0.00 H new ATOM 0 HG LEU A 67 1.546 5.141 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.107 2.796 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.559 3.808 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.054 2.720 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.013 3.363 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.823 3.325 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.052 4.786 6.362 1.00 0.00 H new ATOM 996 N LYS A 68 5.582 6.751 7.461 1.00 0.00 N ATOM 997 CA LYS A 68 6.200 7.767 8.296 1.00 0.00 C ATOM 998 C LYS A 68 7.481 8.265 7.623 1.00 0.00 C ATOM 999 O LYS A 68 7.867 9.420 7.793 1.00 0.00 O ATOM 1000 CB LYS A 68 6.417 7.236 9.714 1.00 0.00 C ATOM 1001 CG LYS A 68 7.469 8.064 10.455 1.00 0.00 C ATOM 1002 CD LYS A 68 7.024 8.357 11.890 1.00 0.00 C ATOM 1003 CE LYS A 68 6.889 9.863 12.125 1.00 0.00 C ATOM 1004 NZ LYS A 68 7.245 10.204 13.520 1.00 0.00 N ATOM 0 H LYS A 68 6.020 5.831 7.513 1.00 0.00 H new ATOM 0 HA LYS A 68 5.539 8.628 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.476 7.261 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.733 6.194 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.418 7.527 10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.640 9.001 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.070 7.868 12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.746 7.939 12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.537 10.404 11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.867 10.179 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.148 11.230 13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.610 9.702 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.228 9.920 13.707 1.00 0.00 H new ATOM 1018 N ASN A 69 8.104 7.368 6.873 1.00 0.00 N ATOM 1019 CA ASN A 69 9.334 7.701 6.174 1.00 0.00 C ATOM 1020 C ASN A 69 10.410 8.076 7.194 1.00 0.00 C ATOM 1021 O ASN A 69 11.287 7.270 7.501 1.00 0.00 O ATOM 1022 CB ASN A 69 9.130 8.897 5.241 1.00 0.00 C ATOM 1023 CG ASN A 69 10.466 9.391 4.684 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.220 10.092 5.338 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.716 8.989 3.441 1.00 0.00 N ATOM 0 H ASN A 69 7.780 6.411 6.734 1.00 0.00 H new ATOM 0 HA ASN A 69 9.635 6.833 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.472 8.614 4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.636 9.705 5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.582 9.267 2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.042 8.403 2.949 1.00 0.00 H new ATOM 1032 N GLY A 70 10.308 9.299 7.692 1.00 0.00 N ATOM 1033 CA GLY A 70 11.263 9.791 8.671 1.00 0.00 C ATOM 1034 C GLY A 70 11.433 11.307 8.559 1.00 0.00 C ATOM 1035 O GLY A 70 10.462 12.054 8.670 1.00 0.00 O ATOM 0 H GLY A 70 9.579 9.964 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.926 9.533 9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.226 9.302 8.523 1.00 0.00 H new ATOM 1135 N ARG B 8 7.823 14.556 -9.222 1.00 0.00 N ATOM 1136 CA ARG B 8 6.859 15.157 -8.316 1.00 0.00 C ATOM 1137 C ARG B 8 6.059 14.071 -7.595 1.00 0.00 C ATOM 1138 O ARG B 8 6.602 13.024 -7.245 1.00 0.00 O ATOM 1139 CB ARG B 8 5.895 16.076 -9.069 1.00 0.00 C ATOM 1140 CG ARG B 8 6.643 16.940 -10.087 1.00 0.00 C ATOM 1141 CD ARG B 8 6.040 18.344 -10.163 1.00 0.00 C ATOM 1142 NE ARG B 8 6.874 19.296 -9.395 1.00 0.00 N ATOM 1143 CZ ARG B 8 6.505 20.549 -9.100 1.00 0.00 C ATOM 1144 NH1 ARG B 8 5.314 21.011 -9.505 1.00 0.00 N ATOM 1145 NH2 ARG B 8 7.327 21.342 -8.399 1.00 0.00 N ATOM 0 HA ARG B 8 7.413 15.749 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG B 8 5.140 15.478 -9.579 1.00 0.00 H new ATOM 0 HB3 ARG B 8 5.369 16.716 -8.361 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.695 17.007 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.602 16.469 -11.069 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.973 18.664 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG B 8 5.025 18.335 -9.766 1.00 0.00 H new ATOM 0 HE ARG B 8 7.787 18.978 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG B 8 4.688 20.408 -10.038 1.00 0.00 H new ATOM 0 HH12 ARG B 8 5.034 21.966 -9.280 1.00 0.00 H new ATOM 0 HH21 ARG B 8 8.234 20.991 -8.090 1.00 0.00 H new ATOM 0 HH22 ARG B 8 7.046 22.296 -8.174 1.00 0.00 H new ATOM 1159 N CYS B 9 4.781 14.357 -7.395 1.00 0.00 N ATOM 1160 CA CYS B 9 3.900 13.417 -6.722 1.00 0.00 C ATOM 1161 C CYS B 9 3.056 12.706 -7.781 1.00 0.00 C ATOM 1162 O CYS B 9 2.697 13.302 -8.796 1.00 0.00 O ATOM 1163 CB CYS B 9 3.032 14.109 -5.670 1.00 0.00 C ATOM 1164 SG CYS B 9 3.920 14.615 -4.152 1.00 0.00 S ATOM 0 H CYS B 9 4.334 15.226 -7.687 1.00 0.00 H new ATOM 0 HA CYS B 9 4.495 12.682 -6.180 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.577 14.992 -6.119 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.219 13.438 -5.392 1.00 0.00 H new ATOM 1169 N GLN B 10 2.764 11.443 -7.510 1.00 0.00 N ATOM 1170 CA GLN B 10 1.969 10.645 -8.427 1.00 0.00 C ATOM 1171 C GLN B 10 0.480 10.943 -8.237 1.00 0.00 C ATOM 1172 O GLN B 10 -0.362 10.399 -8.951 1.00 0.00 O ATOM 1173 CB GLN B 10 2.256 9.153 -8.247 1.00 0.00 C ATOM 1174 CG GLN B 10 1.920 8.372 -9.519 1.00 0.00 C ATOM 1175 CD GLN B 10 1.224 7.051 -9.185 1.00 0.00 C ATOM 1176 OE1 GLN B 10 1.999 6.177 -8.549 1.00 0.00 O flip ATOM 1177 NE2 GLN B 10 0.061 6.840 -9.484 1.00 0.00 N flip ATOM 0 H GLN B 10 3.064 10.952 -6.668 1.00 0.00 H new ATOM 0 HA GLN B 10 2.247 10.915 -9.446 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.307 9.009 -7.995 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.672 8.765 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.276 8.974 -10.160 1.00 0.00 H new ATOM 0 HG3 GLN B 10 2.833 8.174 -10.080 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -0.478 7.555 -9.972 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -0.373 5.948 -9.246 1.00 0.00 H new ATOM 1186 N CYS B 11 0.201 11.807 -7.272 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.171 12.184 -6.979 1.00 0.00 C ATOM 1188 C CYS B 11 -1.186 13.656 -6.560 1.00 0.00 C ATOM 1189 O CYS B 11 -0.329 14.095 -5.795 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.791 11.280 -5.912 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.235 10.306 -6.474 1.00 0.00 S ATOM 0 H CYS B 11 0.902 12.257 -6.683 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.784 12.055 -7.871 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.026 10.593 -5.549 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.094 11.896 -5.065 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.168 14.376 -7.081 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.306 15.789 -6.770 1.00 0.00 C ATOM 1198 C LEU B 12 -3.484 15.984 -5.813 1.00 0.00 C ATOM 1199 O LEU B 12 -3.621 17.042 -5.200 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.415 16.612 -8.055 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.461 16.220 -9.186 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.057 16.568 -10.551 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.082 16.852 -8.984 1.00 0.00 C ATOM 0 H LEU B 12 -2.876 14.008 -7.716 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.416 16.155 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.437 16.536 -8.426 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.243 17.659 -7.808 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.326 15.139 -9.160 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.359 16.279 -11.337 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.997 16.032 -10.685 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.240 17.641 -10.605 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.576 16.558 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.178 17.938 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.339 16.512 -8.038 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.304 14.948 -5.716 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.465 14.993 -4.844 1.00 0.00 C ATOM 1217 C GLN B 13 -5.579 13.693 -4.045 1.00 0.00 C ATOM 1218 O GLN B 13 -4.892 12.716 -4.340 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.742 15.257 -5.645 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.887 15.684 -4.724 1.00 0.00 C ATOM 1221 CD GLN B 13 -8.809 16.685 -5.424 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -9.760 16.326 -6.099 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -8.475 17.957 -5.227 1.00 0.00 N ATOM 0 H GLN B 13 -4.187 14.073 -6.227 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.337 15.818 -4.143 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.557 16.035 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.026 14.357 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.460 14.808 -4.419 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.481 16.131 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -7.666 18.188 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -9.028 18.701 -5.653 1.00 0.00 H new ATOM 1232 N THR B 14 -6.452 13.723 -3.048 1.00 0.00 N ATOM 1233 CA THR B 14 -6.664 12.559 -2.205 1.00 0.00 C ATOM 1234 C THR B 14 -8.083 12.567 -1.633 1.00 0.00 C ATOM 1235 O THR B 14 -8.761 13.593 -1.657 1.00 0.00 O ATOM 1236 CB THR B 14 -5.576 12.550 -1.129 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.539 13.895 -0.661 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.180 12.318 -1.711 1.00 0.00 C ATOM 0 H THR B 14 -7.020 14.535 -2.806 1.00 0.00 H new ATOM 0 HA THR B 14 -6.583 11.635 -2.778 1.00 0.00 H new ATOM 0 HB THR B 14 -5.797 11.774 -0.396 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.860 13.978 0.041 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.445 12.321 -0.906 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.154 11.356 -2.222 1.00 0.00 H new ATOM 0 HG23 THR B 14 -3.945 13.112 -2.420 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.492 11.410 -1.133 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.818 11.270 -0.556 1.00 0.00 C ATOM 1248 C LEU B 15 -9.734 11.468 0.959 1.00 0.00 C ATOM 1249 O LEU B 15 -8.663 11.750 1.493 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.444 9.937 -0.968 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.837 9.808 -2.442 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.735 8.355 -2.911 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.228 10.394 -2.691 1.00 0.00 C ATOM 0 H LEU B 15 -7.928 10.560 -1.116 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.484 12.041 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.741 9.139 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.333 9.772 -0.360 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.131 10.389 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -11.020 8.291 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.710 8.005 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.403 7.733 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.483 10.290 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.961 9.861 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.232 11.450 -2.419 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.878 11.311 1.608 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.948 11.469 3.051 1.00 0.00 C ATOM 1267 C GLN B 16 -11.249 10.125 3.718 1.00 0.00 C ATOM 1268 O GLN B 16 -11.104 9.984 4.931 1.00 0.00 O ATOM 1269 CB GLN B 16 -11.991 12.519 3.438 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.392 12.378 4.908 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.015 13.673 5.434 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.184 13.955 5.232 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -12.171 14.441 6.117 1.00 0.00 N ATOM 0 H GLN B 16 -11.764 11.076 1.161 1.00 0.00 H new ATOM 0 HA GLN B 16 -9.979 11.820 3.406 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.590 13.517 3.261 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.872 12.412 2.805 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.102 11.558 5.018 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.516 12.123 5.505 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.204 14.144 6.249 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.491 15.327 6.509 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.663 9.172 2.896 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.986 7.845 3.391 1.00 0.00 C ATOM 1284 C GLY B 17 -13.059 7.183 2.524 1.00 0.00 C ATOM 1285 O GLY B 17 -14.244 7.488 2.656 1.00 0.00 O ATOM 0 H GLY B 17 -11.782 9.293 1.890 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -11.088 7.227 3.399 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -12.336 7.912 4.421 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.607 6.288 1.658 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.514 5.581 0.770 1.00 0.00 C ATOM 1291 C ILE B 18 -13.840 4.211 1.369 1.00 0.00 C ATOM 1292 O ILE B 18 -13.098 3.703 2.208 1.00 0.00 O ATOM 1293 CB ILE B 18 -12.934 5.511 -0.644 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.260 6.781 -1.433 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -13.405 4.249 -1.369 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -14.707 6.760 -1.931 1.00 0.00 C ATOM 0 H ILE B 18 -11.624 6.036 1.552 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.455 6.122 0.677 1.00 0.00 H new ATOM 0 HB ILE B 18 -11.849 5.450 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -13.101 7.656 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -12.581 6.871 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -12.978 4.225 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.080 3.368 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -14.493 4.254 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -14.913 7.674 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -14.856 5.897 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -15.384 6.694 -1.079 1.00 0.00 H new ATOM 1308 N HIS B 19 -14.952 3.652 0.913 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.386 2.351 1.393 1.00 0.00 C ATOM 1310 C HIS B 19 -14.333 1.297 1.043 1.00 0.00 C ATOM 1311 O HIS B 19 -13.684 1.385 0.002 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.774 2.006 0.849 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.703 1.400 1.873 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -18.857 2.029 2.304 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.635 0.216 2.547 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.450 1.250 3.197 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.691 0.127 3.346 1.00 0.00 N ATOM 0 H HIS B 19 -15.565 4.076 0.217 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.481 2.373 2.479 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.231 2.911 0.450 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.664 1.311 0.017 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.854 -0.524 2.447 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.372 1.466 3.716 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.900 -0.653 3.969 1.00 0.00 H new ATOM 1325 N LEU B 20 -14.197 0.325 1.933 1.00 0.00 N ATOM 1326 CA LEU B 20 -13.234 -0.745 1.731 1.00 0.00 C ATOM 1327 C LEU B 20 -13.869 -1.841 0.873 1.00 0.00 C ATOM 1328 O LEU B 20 -13.284 -2.908 0.690 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.702 -1.246 3.075 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.964 -2.586 3.045 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.852 -2.577 1.994 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -11.436 -2.952 4.434 1.00 0.00 C ATOM 0 H LEU B 20 -14.737 0.256 2.795 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.364 -0.378 1.187 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.028 -0.491 3.481 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -13.540 -1.330 3.767 1.00 0.00 H new ATOM 0 HG LEU B 20 -12.674 -3.360 2.755 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -10.344 -3.541 1.994 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.283 -2.394 1.010 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -10.136 -1.789 2.229 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -10.916 -3.909 4.385 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.746 -2.181 4.776 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -12.270 -3.028 5.132 1.00 0.00 H new ATOM 1344 N LYS B 21 -15.057 -1.540 0.369 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.777 -2.487 -0.466 1.00 0.00 C ATOM 1346 C LYS B 21 -15.369 -2.286 -1.927 1.00 0.00 C ATOM 1347 O LYS B 21 -15.535 -3.184 -2.751 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.284 -2.373 -0.227 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.871 -1.183 -0.988 1.00 0.00 C ATOM 1350 CD LYS B 21 -19.108 -0.633 -0.274 1.00 0.00 C ATOM 1351 CE LYS B 21 -20.340 -0.706 -1.178 1.00 0.00 C ATOM 1352 NZ LYS B 21 -21.567 -0.408 -0.406 1.00 0.00 N ATOM 0 H LYS B 21 -15.539 -0.654 0.523 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.511 -3.510 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.777 -3.292 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.479 -2.259 0.839 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -17.120 -0.398 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -18.136 -1.489 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.288 -1.201 0.639 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -18.931 0.401 0.023 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -20.238 0.004 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -20.415 -1.699 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -22.394 -0.462 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.670 -1.101 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -21.500 0.548 -0.003 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.843 -1.101 -2.203 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.410 -0.771 -3.550 1.00 0.00 C ATOM 1368 C ASN B 22 -12.898 -0.979 -3.661 1.00 0.00 C ATOM 1369 O ASN B 22 -12.424 -1.631 -4.590 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.711 0.692 -3.882 1.00 0.00 C ATOM 1371 CG ASN B 22 -16.040 0.822 -4.629 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -16.239 0.263 -5.695 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.934 1.590 -4.013 1.00 0.00 N ATOM 0 H ASN B 22 -14.707 -0.358 -1.517 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.947 -1.417 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.747 1.277 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.906 1.104 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.852 1.741 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.702 2.028 -3.122 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.183 -0.413 -2.700 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.735 -0.528 -2.677 1.00 0.00 C ATOM 1382 C ILE B 23 -10.345 -2.007 -2.704 1.00 0.00 C ATOM 1383 O ILE B 23 -10.841 -2.798 -1.903 1.00 0.00 O ATOM 1384 CB ILE B 23 -10.154 0.240 -1.488 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.966 1.719 -1.830 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.856 -0.406 -1.000 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.613 2.613 -0.770 1.00 0.00 C ATOM 0 H ILE B 23 -12.580 0.127 -1.931 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.303 -0.067 -3.565 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.868 0.189 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.903 1.947 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.405 1.929 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.464 0.159 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.054 -1.432 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -8.124 -0.406 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.465 3.659 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.681 2.400 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.155 2.418 0.200 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.459 -2.337 -3.633 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.997 -3.707 -3.774 1.00 0.00 C ATOM 1401 C GLN B 24 -7.511 -3.804 -3.426 1.00 0.00 C ATOM 1402 O GLN B 24 -7.002 -4.892 -3.158 1.00 0.00 O ATOM 1403 CB GLN B 24 -9.265 -4.233 -5.186 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.799 -5.666 -5.144 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.692 -6.653 -4.766 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.804 -7.420 -3.824 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.621 -6.591 -5.551 1.00 0.00 N ATOM 0 H GLN B 24 -9.049 -1.679 -4.295 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.555 -4.332 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.985 -3.587 -5.688 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.346 -4.200 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -10.613 -5.733 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -10.212 -5.933 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.592 -5.925 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.828 -7.209 -5.381 1.00 0.00 H new ATOM 1416 N SER B 25 -6.856 -2.653 -3.440 1.00 0.00 N ATOM 1417 CA SER B 25 -5.438 -2.595 -3.129 1.00 0.00 C ATOM 1418 C SER B 25 -5.082 -1.219 -2.561 1.00 0.00 C ATOM 1419 O SER B 25 -5.809 -0.249 -2.774 1.00 0.00 O ATOM 1420 CB SER B 25 -4.589 -2.893 -4.367 1.00 0.00 C ATOM 1421 OG SER B 25 -5.353 -3.506 -5.402 1.00 0.00 O ATOM 0 H SER B 25 -7.281 -1.753 -3.662 1.00 0.00 H new ATOM 0 HA SER B 25 -5.221 -3.358 -2.381 1.00 0.00 H new ATOM 0 HB2 SER B 25 -4.152 -1.966 -4.739 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.762 -3.547 -4.091 1.00 0.00 H new ATOM 0 HG SER B 25 -4.777 -3.679 -6.175 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.965 -1.178 -1.850 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.505 0.062 -1.250 1.00 0.00 C ATOM 1429 C VAL B 26 -2.039 0.291 -1.622 1.00 0.00 C ATOM 1430 O VAL B 26 -1.219 -0.621 -1.519 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.740 0.032 0.262 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.938 1.129 0.964 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.231 0.149 0.587 1.00 0.00 C ATOM 0 H VAL B 26 -3.365 -1.984 -1.676 1.00 0.00 H new ATOM 0 HA VAL B 26 -4.075 0.907 -1.637 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.390 -0.930 0.636 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.123 1.085 2.037 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.875 0.981 0.773 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.243 2.103 0.583 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.371 0.125 1.668 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.617 1.089 0.192 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.769 -0.683 0.133 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.752 1.513 -2.046 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.399 1.872 -2.434 1.00 0.00 C ATOM 1445 C LYS B 27 -0.008 3.184 -1.750 1.00 0.00 C ATOM 1446 O LYS B 27 -0.713 4.185 -1.871 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.271 1.912 -3.958 1.00 0.00 C ATOM 1448 CG LYS B 27 1.170 1.640 -4.395 1.00 0.00 C ATOM 1449 CD LYS B 27 2.073 2.835 -4.081 1.00 0.00 C ATOM 1450 CE LYS B 27 2.792 3.325 -5.339 1.00 0.00 C ATOM 1451 NZ LYS B 27 2.080 4.482 -5.926 1.00 0.00 N ATOM 0 H LYS B 27 -2.434 2.267 -2.129 1.00 0.00 H new ATOM 0 HA LYS B 27 0.307 1.113 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.935 1.171 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.589 2.887 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.546 0.752 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.196 1.431 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.477 3.645 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.806 2.553 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.816 3.607 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.850 2.518 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 2.511 4.727 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 1.079 4.238 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 2.149 5.295 -5.282 1.00 0.00 H new ATOM 1465 N VAL B 28 1.113 3.136 -1.047 1.00 0.00 N ATOM 1466 CA VAL B 28 1.606 4.308 -0.343 1.00 0.00 C ATOM 1467 C VAL B 28 2.978 4.693 -0.901 1.00 0.00 C ATOM 1468 O VAL B 28 3.978 4.041 -0.604 1.00 0.00 O ATOM 1469 CB VAL B 28 1.626 4.044 1.164 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.410 5.132 1.901 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.205 3.923 1.718 1.00 0.00 C ATOM 0 H VAL B 28 1.695 2.304 -0.949 1.00 0.00 H new ATOM 0 HA VAL B 28 0.941 5.157 -0.502 1.00 0.00 H new ATOM 0 HB VAL B 28 2.133 3.094 1.331 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.409 4.920 2.970 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.437 5.151 1.536 1.00 0.00 H new ATOM 0 HG13 VAL B 28 1.944 6.101 1.722 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.248 3.735 2.791 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.338 4.850 1.533 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.308 3.097 1.225 1.00 0.00 H new ATOM 1481 N LYS B 29 2.981 5.751 -1.699 1.00 0.00 N ATOM 1482 CA LYS B 29 4.214 6.231 -2.300 1.00 0.00 C ATOM 1483 C LYS B 29 4.773 7.380 -1.460 1.00 0.00 C ATOM 1484 O LYS B 29 4.487 8.546 -1.728 1.00 0.00 O ATOM 1485 CB LYS B 29 3.986 6.596 -3.768 1.00 0.00 C ATOM 1486 CG LYS B 29 5.183 7.363 -4.334 1.00 0.00 C ATOM 1487 CD LYS B 29 6.333 6.412 -4.672 1.00 0.00 C ATOM 1488 CE LYS B 29 6.005 5.572 -5.908 1.00 0.00 C ATOM 1489 NZ LYS B 29 6.876 5.956 -7.042 1.00 0.00 N ATOM 0 H LYS B 29 2.150 6.289 -1.943 1.00 0.00 H new ATOM 0 HA LYS B 29 4.968 5.444 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.822 5.690 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.085 7.202 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.881 7.907 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.520 8.104 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.243 6.985 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.528 5.756 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.138 4.514 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.959 5.710 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 6.640 5.376 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 6.729 6.961 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.871 5.801 -6.783 1.00 0.00 H new ATOM 1503 N SER B 30 5.560 7.011 -0.460 1.00 0.00 N ATOM 1504 CA SER B 30 6.162 7.997 0.422 1.00 0.00 C ATOM 1505 C SER B 30 6.901 9.053 -0.402 1.00 0.00 C ATOM 1506 O SER B 30 7.091 8.886 -1.606 1.00 0.00 O ATOM 1507 CB SER B 30 7.117 7.336 1.417 1.00 0.00 C ATOM 1508 OG SER B 30 6.685 7.505 2.764 1.00 0.00 O ATOM 0 H SER B 30 5.795 6.043 -0.241 1.00 0.00 H new ATOM 0 HA SER B 30 5.366 8.479 0.990 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.196 6.272 1.192 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.114 7.761 1.300 1.00 0.00 H new ATOM 0 HG SER B 30 6.937 6.717 3.290 1.00 0.00 H new ATOM 1514 N PRO B 31 7.309 10.146 0.298 1.00 0.00 N ATOM 1515 CA PRO B 31 8.024 11.229 -0.356 1.00 0.00 C ATOM 1516 C PRO B 31 9.472 10.833 -0.648 1.00 0.00 C ATOM 1517 O PRO B 31 9.952 9.814 -0.155 1.00 0.00 O ATOM 1518 CB PRO B 31 7.911 12.407 0.598 1.00 0.00 C ATOM 1519 CG PRO B 31 7.544 11.815 1.949 1.00 0.00 C ATOM 1520 CD PRO B 31 7.102 10.378 1.724 1.00 0.00 C ATOM 0 HA PRO B 31 7.606 11.481 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.851 12.956 0.654 1.00 0.00 H new ATOM 0 HB3 PRO B 31 7.151 13.111 0.261 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.398 11.850 2.626 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.745 12.392 2.414 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.688 9.684 2.327 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.057 10.237 2.001 1.00 0.00 H new ATOM 1528 N GLY B 32 10.128 11.660 -1.450 1.00 0.00 N ATOM 1529 CA GLY B 32 11.512 11.408 -1.814 1.00 0.00 C ATOM 1530 C GLY B 32 12.248 12.717 -2.109 1.00 0.00 C ATOM 1531 O GLY B 32 11.844 13.780 -1.639 1.00 0.00 O ATOM 0 H GLY B 32 9.727 12.505 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY B 32 12.014 10.879 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.549 10.760 -2.690 1.00 0.00 H new ATOM 1535 N PRO B 33 13.343 12.593 -2.905 1.00 0.00 N ATOM 1536 CA PRO B 33 14.139 13.754 -3.268 1.00 0.00 C ATOM 1537 C PRO B 33 13.424 14.601 -4.323 1.00 0.00 C ATOM 1538 O PRO B 33 13.967 15.598 -4.796 1.00 0.00 O ATOM 1539 CB PRO B 33 15.461 13.186 -3.759 1.00 0.00 C ATOM 1540 CG PRO B 33 15.191 11.727 -4.090 1.00 0.00 C ATOM 1541 CD PRO B 33 13.851 11.351 -3.480 1.00 0.00 C ATOM 0 HA PRO B 33 14.298 14.433 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.816 13.726 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO B 33 16.233 13.277 -2.995 1.00 0.00 H new ATOM 0 HG2 PRO B 33 15.174 11.577 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.983 11.092 -3.692 1.00 0.00 H new ATOM 0 HD2 PRO B 33 13.170 10.956 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.965 10.580 -2.718 1.00 0.00 H new ATOM 1549 N HIS B 34 12.217 14.172 -4.662 1.00 0.00 N ATOM 1550 CA HIS B 34 11.423 14.878 -5.652 1.00 0.00 C ATOM 1551 C HIS B 34 10.192 15.490 -4.981 1.00 0.00 C ATOM 1552 O HIS B 34 9.948 16.690 -5.099 1.00 0.00 O ATOM 1553 CB HIS B 34 11.064 13.956 -6.820 1.00 0.00 C ATOM 1554 CG HIS B 34 10.890 12.508 -6.428 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.930 11.730 -5.951 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.786 11.707 -6.446 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.462 10.517 -5.697 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.134 10.504 -6.005 1.00 0.00 N ATOM 0 H HIS B 34 11.770 13.344 -4.268 1.00 0.00 H new ATOM 0 HA HIS B 34 12.007 15.695 -6.076 1.00 0.00 H new ATOM 0 HB2 HIS B 34 10.141 14.311 -7.279 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.845 14.025 -7.578 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.797 12.001 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS B 34 12.033 9.684 -5.313 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.510 9.702 -5.912 1.00 0.00 H new ATOM 1566 N CYS B 35 9.448 14.638 -4.291 1.00 0.00 N ATOM 1567 CA CYS B 35 8.249 15.080 -3.600 1.00 0.00 C ATOM 1568 C CYS B 35 8.454 14.871 -2.098 1.00 0.00 C ATOM 1569 O CYS B 35 8.818 13.779 -1.664 1.00 0.00 O ATOM 1570 CB CYS B 35 7.002 14.355 -4.112 1.00 0.00 C ATOM 1571 SG CYS B 35 5.670 15.454 -4.716 1.00 0.00 S ATOM 0 H CYS B 35 9.653 13.643 -4.196 1.00 0.00 H new ATOM 0 HA CYS B 35 8.082 16.139 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.295 13.684 -4.920 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.605 13.733 -3.309 1.00 0.00 H new ATOM 1576 N ALA B 36 8.212 15.935 -1.347 1.00 0.00 N ATOM 1577 CA ALA B 36 8.366 15.882 0.097 1.00 0.00 C ATOM 1578 C ALA B 36 7.001 15.637 0.743 1.00 0.00 C ATOM 1579 O ALA B 36 6.794 15.964 1.910 1.00 0.00 O ATOM 1580 CB ALA B 36 9.020 17.175 0.589 1.00 0.00 C ATOM 0 H ALA B 36 7.910 16.839 -1.711 1.00 0.00 H new ATOM 0 HA ALA B 36 9.019 15.057 0.383 1.00 0.00 H new ATOM 0 HB1 ALA B 36 9.135 17.135 1.672 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.999 17.287 0.124 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.392 18.025 0.322 1.00 0.00 H new ATOM 1586 N GLN B 37 6.104 15.062 -0.046 1.00 0.00 N ATOM 1587 CA GLN B 37 4.764 14.769 0.434 1.00 0.00 C ATOM 1588 C GLN B 37 4.382 13.327 0.095 1.00 0.00 C ATOM 1589 O GLN B 37 4.954 12.727 -0.814 1.00 0.00 O ATOM 1590 CB GLN B 37 3.747 15.756 -0.142 1.00 0.00 C ATOM 1591 CG GLN B 37 4.249 17.196 -0.018 1.00 0.00 C ATOM 1592 CD GLN B 37 4.057 17.959 -1.331 1.00 0.00 C ATOM 1593 OE1 GLN B 37 3.023 17.888 -1.974 1.00 0.00 O ATOM 1594 NE2 GLN B 37 5.109 18.689 -1.691 1.00 0.00 N ATOM 0 H GLN B 37 6.279 14.792 -1.014 1.00 0.00 H new ATOM 0 HA GLN B 37 4.755 14.881 1.518 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.560 15.521 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.797 15.652 0.382 1.00 0.00 H new ATOM 0 HG2 GLN B 37 3.713 17.704 0.784 1.00 0.00 H new ATOM 0 HG3 GLN B 37 5.304 17.195 0.255 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.944 18.703 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN B 37 5.081 19.234 -2.553 1.00 0.00 H new ATOM 1603 N THR B 38 3.417 12.813 0.843 1.00 0.00 N ATOM 1604 CA THR B 38 2.952 11.453 0.632 1.00 0.00 C ATOM 1605 C THR B 38 1.807 11.431 -0.383 1.00 0.00 C ATOM 1606 O THR B 38 1.192 12.462 -0.652 1.00 0.00 O ATOM 1607 CB THR B 38 2.567 10.869 1.993 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.707 11.116 2.812 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.452 9.343 1.965 1.00 0.00 C ATOM 0 H THR B 38 2.945 13.314 1.596 1.00 0.00 H new ATOM 0 HA THR B 38 3.737 10.830 0.203 1.00 0.00 H new ATOM 0 HB THR B 38 1.619 11.298 2.316 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.543 10.770 3.714 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.177 8.981 2.955 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.688 9.049 1.246 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.410 8.911 1.674 1.00 0.00 H new ATOM 1617 N GLU B 39 1.557 10.246 -0.919 1.00 0.00 N ATOM 1618 CA GLU B 39 0.497 10.077 -1.899 1.00 0.00 C ATOM 1619 C GLU B 39 0.001 8.630 -1.900 1.00 0.00 C ATOM 1620 O GLU B 39 0.583 7.770 -2.560 1.00 0.00 O ATOM 1621 CB GLU B 39 0.968 10.496 -3.293 1.00 0.00 C ATOM 1622 CG GLU B 39 2.449 10.167 -3.494 1.00 0.00 C ATOM 1623 CD GLU B 39 3.304 11.434 -3.444 1.00 0.00 C ATOM 1624 OE1 GLU B 39 3.020 12.276 -2.565 1.00 0.00 O ATOM 1625 OE2 GLU B 39 4.222 11.533 -4.287 1.00 0.00 O ATOM 0 H GLU B 39 2.070 9.394 -0.694 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.334 10.725 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU B 39 0.373 9.986 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.808 11.566 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU B 39 2.778 9.471 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.587 9.668 -4.453 1.00 0.00 H new ATOM 1632 N VAL B 40 -1.070 8.404 -1.153 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.651 7.076 -1.059 1.00 0.00 C ATOM 1634 C VAL B 40 -2.555 6.833 -2.269 1.00 0.00 C ATOM 1635 O VAL B 40 -3.490 7.595 -2.513 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.383 6.918 0.275 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.069 5.553 0.366 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.429 7.131 1.452 1.00 0.00 C ATOM 0 H VAL B 40 -1.551 9.119 -0.607 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.870 6.316 -1.078 1.00 0.00 H new ATOM 0 HB VAL B 40 -3.155 7.685 0.326 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.582 5.467 1.324 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.793 5.455 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.322 4.764 0.282 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.974 7.013 2.388 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.625 6.397 1.406 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -1.007 8.135 1.402 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.246 5.769 -2.995 1.00 0.00 N ATOM 1649 CA ILE B 41 -3.019 5.416 -4.174 1.00 0.00 C ATOM 1650 C ILE B 41 -3.547 3.988 -4.024 1.00 0.00 C ATOM 1651 O ILE B 41 -2.784 3.027 -4.120 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.192 5.636 -5.442 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.509 7.005 -5.421 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -3.048 5.442 -6.695 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.009 6.862 -5.558 1.00 0.00 C ATOM 0 H ILE B 41 -1.470 5.139 -2.790 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.887 6.068 -4.270 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.404 4.884 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.895 7.621 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.747 7.520 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.436 5.604 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.447 4.428 -6.710 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.872 6.156 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.471 7.849 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.394 6.266 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.244 6.368 -6.501 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.847 3.893 -3.790 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.486 2.599 -3.626 1.00 0.00 C ATOM 1669 C ALA B 42 -6.160 2.197 -4.939 1.00 0.00 C ATOM 1670 O ALA B 42 -6.778 3.028 -5.603 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.474 2.661 -2.459 1.00 0.00 C ATOM 0 H ALA B 42 -5.476 4.692 -3.710 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.747 1.834 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -6.953 1.690 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.941 2.921 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.232 3.417 -2.664 1.00 0.00 H new ATOM 1677 N THR B 43 -6.019 0.923 -5.275 1.00 0.00 N ATOM 1678 CA THR B 43 -6.607 0.401 -6.497 1.00 0.00 C ATOM 1679 C THR B 43 -8.053 -0.031 -6.250 1.00 0.00 C ATOM 1680 O THR B 43 -8.350 -0.676 -5.246 1.00 0.00 O ATOM 1681 CB THR B 43 -5.712 -0.731 -7.005 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.538 -0.067 -7.465 1.00 0.00 O ATOM 1683 CG2 THR B 43 -6.275 -1.403 -8.260 1.00 0.00 C ATOM 0 H THR B 43 -5.506 0.237 -4.722 1.00 0.00 H new ATOM 0 HA THR B 43 -6.658 1.167 -7.271 1.00 0.00 H new ATOM 0 HB THR B 43 -5.587 -1.475 -6.218 1.00 0.00 H new ATOM 0 HG1 THR B 43 -4.052 -0.652 -8.083 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.602 -2.199 -8.579 1.00 0.00 H new ATOM 0 HG22 THR B 43 -7.256 -1.824 -8.038 1.00 0.00 H new ATOM 0 HG23 THR B 43 -6.368 -0.665 -9.057 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.916 0.342 -7.185 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.325 0.000 -7.081 1.00 0.00 C ATOM 1693 C LEU B 44 -10.540 -1.421 -7.605 1.00 0.00 C ATOM 1694 O LEU B 44 -9.808 -1.882 -8.479 1.00 0.00 O ATOM 1695 CB LEU B 44 -11.184 1.052 -7.786 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.386 1.575 -6.997 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.893 2.895 -7.582 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.491 0.520 -6.919 1.00 0.00 C ATOM 0 H LEU B 44 -8.667 0.877 -8.017 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.644 0.007 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.548 1.899 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.546 0.628 -8.723 1.00 0.00 H new ATOM 0 HG LEU B 44 -12.063 1.779 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.748 3.245 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.098 3.640 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -13.195 2.742 -8.618 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.334 0.917 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.819 0.262 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -13.108 -0.372 -6.422 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.548 -2.076 -7.048 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.869 -3.436 -7.447 1.00 0.00 C ATOM 1712 C LYS B 45 -12.549 -3.413 -8.818 1.00 0.00 C ATOM 1713 O LYS B 45 -12.852 -4.463 -9.382 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.695 -4.132 -6.363 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.726 -5.645 -6.586 1.00 0.00 C ATOM 1716 CD LYS B 45 -14.034 -6.074 -7.256 1.00 0.00 C ATOM 1717 CE LYS B 45 -14.623 -7.307 -6.568 1.00 0.00 C ATOM 1718 NZ LYS B 45 -13.932 -8.534 -7.023 1.00 0.00 N ATOM 0 H LYS B 45 -12.153 -1.690 -6.323 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.959 -4.027 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.273 -3.914 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.712 -3.739 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.881 -5.942 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.617 -6.159 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.752 -5.255 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.853 -6.292 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.527 -7.208 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -15.688 -7.380 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -14.344 -9.361 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.045 -8.635 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -12.920 -8.469 -6.791 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.769 -2.204 -9.314 1.00 0.00 N ATOM 1733 CA ASN B 46 -13.407 -2.030 -10.608 1.00 0.00 C ATOM 1734 C ASN B 46 -12.338 -1.746 -11.665 1.00 0.00 C ATOM 1735 O ASN B 46 -12.634 -1.714 -12.858 1.00 0.00 O ATOM 1736 CB ASN B 46 -14.379 -0.849 -10.588 1.00 0.00 C ATOM 1737 CG ASN B 46 -14.305 -0.057 -11.895 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -14.655 -0.534 -12.962 1.00 0.00 O ATOM 1739 ND2 ASN B 46 -13.831 1.178 -11.753 1.00 0.00 N ATOM 0 H ASN B 46 -12.517 -1.335 -8.843 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.955 -2.943 -10.840 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -15.395 -1.212 -10.436 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -14.145 -0.195 -9.748 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.743 1.787 -12.566 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.556 1.516 -10.831 1.00 0.00 H new ATOM 1746 N GLY B 47 -11.118 -1.546 -11.188 1.00 0.00 N ATOM 1747 CA GLY B 47 -10.004 -1.266 -12.077 1.00 0.00 C ATOM 1748 C GLY B 47 -9.551 0.190 -11.947 1.00 0.00 C ATOM 1749 O GLY B 47 -8.511 0.571 -12.481 1.00 0.00 O ATOM 0 H GLY B 47 -10.877 -1.572 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -9.173 -1.931 -11.845 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.296 -1.469 -13.107 1.00 0.00 H new ATOM 1753 N GLN B 48 -10.356 0.964 -11.233 1.00 0.00 N ATOM 1754 CA GLN B 48 -10.051 2.370 -11.026 1.00 0.00 C ATOM 1755 C GLN B 48 -9.087 2.536 -9.849 1.00 0.00 C ATOM 1756 O GLN B 48 -8.578 1.552 -9.315 1.00 0.00 O ATOM 1757 CB GLN B 48 -11.329 3.181 -10.806 1.00 0.00 C ATOM 1758 CG GLN B 48 -11.929 3.632 -12.140 1.00 0.00 C ATOM 1759 CD GLN B 48 -13.329 4.216 -11.943 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.916 4.141 -10.876 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -13.828 4.802 -13.028 1.00 0.00 N ATOM 0 H GLN B 48 -11.218 0.645 -10.791 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.567 2.753 -11.924 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -12.056 2.579 -10.261 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -11.109 4.052 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -11.281 4.378 -12.600 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.977 2.786 -12.825 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -13.282 4.829 -13.889 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -14.756 5.224 -12.998 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.866 3.789 -9.479 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.973 4.097 -8.375 1.00 0.00 C ATOM 1772 C LYS B 49 -8.516 5.303 -7.606 1.00 0.00 C ATOM 1773 O LYS B 49 -9.090 6.215 -8.199 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.541 4.284 -8.881 1.00 0.00 C ATOM 1775 CG LYS B 49 -6.077 3.064 -9.678 1.00 0.00 C ATOM 1776 CD LYS B 49 -4.634 3.236 -10.154 1.00 0.00 C ATOM 1777 CE LYS B 49 -4.261 2.160 -11.176 1.00 0.00 C ATOM 1778 NZ LYS B 49 -2.858 1.728 -10.985 1.00 0.00 N ATOM 0 H LYS B 49 -9.290 4.603 -9.924 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.933 3.264 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.486 5.174 -9.508 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.872 4.447 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -6.155 2.170 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.732 2.916 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.509 4.223 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -3.957 3.183 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.928 1.305 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.394 2.548 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -2.621 0.998 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.224 2.543 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.742 1.339 -10.028 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.316 5.268 -6.297 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.779 6.347 -5.440 1.00 0.00 C ATOM 1794 C ALA B 50 -7.680 6.703 -4.436 1.00 0.00 C ATOM 1795 O ALA B 50 -7.335 5.894 -3.576 1.00 0.00 O ATOM 1796 CB ALA B 50 -10.082 5.932 -4.755 1.00 0.00 C ATOM 0 H ALA B 50 -7.840 4.510 -5.809 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.990 7.240 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.429 6.741 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.838 5.719 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.909 5.040 -4.153 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.161 7.913 -4.579 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.109 8.386 -3.695 1.00 0.00 C ATOM 1804 C CYS B 51 -6.736 8.730 -2.343 1.00 0.00 C ATOM 1805 O CYS B 51 -7.820 9.308 -2.286 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.358 9.576 -4.296 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.692 9.184 -4.943 1.00 0.00 S ATOM 0 H CYS B 51 -7.449 8.581 -5.294 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.364 7.602 -3.559 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -5.957 9.995 -5.104 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.264 10.350 -3.535 1.00 0.00 H new ATOM 1812 N LEU B 52 -6.027 8.360 -1.286 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.500 8.623 0.062 1.00 0.00 C ATOM 1814 C LEU B 52 -5.594 9.664 0.722 1.00 0.00 C ATOM 1815 O LEU B 52 -4.470 9.887 0.275 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.615 7.318 0.853 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.537 6.252 0.258 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -7.222 4.870 0.835 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -9.008 6.631 0.447 1.00 0.00 C ATOM 0 H LEU B 52 -5.128 7.880 -1.336 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.505 9.044 0.038 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.618 6.890 0.957 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.967 7.555 1.857 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.353 6.202 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.892 4.131 0.395 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -6.190 4.606 0.605 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -7.360 4.887 1.916 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.642 5.856 0.015 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -9.225 6.726 1.511 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -9.206 7.581 -0.050 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.118 10.274 1.776 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.370 11.287 2.502 1.00 0.00 C ATOM 1833 C ASN B 53 -4.681 10.640 3.705 1.00 0.00 C ATOM 1834 O ASN B 53 -5.345 10.106 4.592 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.297 12.387 3.022 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.499 13.493 3.716 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -4.337 13.730 3.427 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -6.185 14.155 4.643 1.00 0.00 N ATOM 0 H ASN B 53 -7.051 10.086 2.144 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.640 11.723 1.820 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -6.867 12.809 2.194 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.018 11.961 3.720 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -5.741 14.913 5.162 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.155 13.905 4.835 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.323 10.713 3.697 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.536 10.142 4.777 1.00 0.00 C ATOM 1847 C PRO B 54 -2.610 11.015 6.031 1.00 0.00 C ATOM 1848 O PRO B 54 -1.999 10.698 7.050 1.00 0.00 O ATOM 1849 CB PRO B 54 -1.128 10.023 4.217 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.076 10.956 3.018 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.503 11.339 2.663 1.00 0.00 C ATOM 0 HA PRO B 54 -2.906 9.168 5.098 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.386 10.305 4.964 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.910 8.996 3.923 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.489 11.844 3.251 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.591 10.466 2.174 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.632 12.421 2.656 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.774 10.979 1.671 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.363 12.099 5.914 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.525 13.021 7.026 1.00 0.00 C ATOM 1861 C ALA B 55 -4.894 12.799 7.672 1.00 0.00 C ATOM 1862 O ALA B 55 -5.258 13.495 8.619 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.340 14.457 6.530 1.00 0.00 C ATOM 0 H ALA B 55 -3.868 12.360 5.067 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.768 12.839 7.788 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.461 15.148 7.364 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.342 14.570 6.107 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.085 14.677 5.765 1.00 0.00 H new ATOM 1869 N SER B 56 -5.616 11.827 7.135 1.00 0.00 N ATOM 1870 CA SER B 56 -6.937 11.504 7.647 1.00 0.00 C ATOM 1871 C SER B 56 -6.857 10.287 8.571 1.00 0.00 C ATOM 1872 O SER B 56 -6.084 9.363 8.321 1.00 0.00 O ATOM 1873 CB SER B 56 -7.921 11.241 6.506 1.00 0.00 C ATOM 1874 OG SER B 56 -9.138 10.665 6.973 1.00 0.00 O ATOM 0 H SER B 56 -5.311 11.252 6.350 1.00 0.00 H new ATOM 0 HA SER B 56 -7.302 12.360 8.215 1.00 0.00 H new ATOM 0 HB2 SER B 56 -8.137 12.177 5.991 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.461 10.574 5.777 1.00 0.00 H new ATOM 0 HG SER B 56 -9.898 11.168 6.612 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.689 10.326 9.646 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.719 9.237 10.608 1.00 0.00 C ATOM 1882 C PRO B 57 -8.456 8.023 10.038 1.00 0.00 C ATOM 1883 O PRO B 57 -8.154 6.885 10.395 1.00 0.00 O ATOM 1884 CB PRO B 57 -8.396 9.818 11.839 1.00 0.00 C ATOM 1885 CG PRO B 57 -9.132 11.060 11.362 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.618 11.403 9.974 1.00 0.00 C ATOM 0 HA PRO B 57 -6.724 8.866 10.855 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -9.087 9.100 12.280 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.663 10.069 12.606 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.207 10.881 11.337 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.963 11.890 12.047 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.433 11.457 9.252 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -8.120 12.372 9.965 1.00 0.00 H new ATOM 1894 N MET B 58 -9.409 8.306 9.162 1.00 0.00 N ATOM 1895 CA MET B 58 -10.191 7.252 8.540 1.00 0.00 C ATOM 1896 C MET B 58 -9.401 6.571 7.420 1.00 0.00 C ATOM 1897 O MET B 58 -9.711 5.446 7.032 1.00 0.00 O ATOM 1898 CB MET B 58 -11.482 7.842 7.969 1.00 0.00 C ATOM 1899 CG MET B 58 -12.649 6.866 8.127 1.00 0.00 C ATOM 1900 SD MET B 58 -13.902 7.578 9.180 1.00 0.00 S ATOM 1901 CE MET B 58 -12.916 7.966 10.617 1.00 0.00 C ATOM 0 H MET B 58 -9.657 9.251 8.868 1.00 0.00 H new ATOM 0 HA MET B 58 -10.427 6.505 9.298 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.714 8.777 8.478 1.00 0.00 H new ATOM 0 HB3 MET B 58 -11.342 8.079 6.914 1.00 0.00 H new ATOM 0 HG2 MET B 58 -13.073 6.632 7.150 1.00 0.00 H new ATOM 0 HG3 MET B 58 -12.294 5.928 8.553 1.00 0.00 H new ATOM 0 HE1 MET B 58 -13.532 7.889 11.513 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.084 7.265 10.688 1.00 0.00 H new ATOM 0 HE3 MET B 58 -12.529 8.981 10.529 1.00 0.00 H new ATOM 1911 N VAL B 59 -8.396 7.283 6.931 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.560 6.762 5.864 1.00 0.00 C ATOM 1913 C VAL B 59 -6.547 5.777 6.450 1.00 0.00 C ATOM 1914 O VAL B 59 -5.796 5.140 5.712 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.901 7.916 5.104 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -5.773 7.407 4.205 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.935 8.702 4.296 1.00 0.00 C ATOM 0 H VAL B 59 -8.142 8.216 7.255 1.00 0.00 H new ATOM 0 HA VAL B 59 -8.163 6.215 5.139 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.464 8.594 5.837 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.322 8.247 3.677 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -5.016 6.913 4.815 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -6.176 6.698 3.482 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -7.440 9.516 3.766 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.415 8.039 3.576 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.688 9.112 4.969 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.558 5.681 7.771 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.650 4.784 8.465 1.00 0.00 C ATOM 1929 C LYS B 60 -6.415 3.537 8.912 1.00 0.00 C ATOM 1930 O LYS B 60 -5.853 2.663 9.572 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.944 5.515 9.609 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.401 6.868 9.143 1.00 0.00 C ATOM 1933 CD LYS B 60 -3.125 6.692 8.317 1.00 0.00 C ATOM 1934 CE LYS B 60 -1.924 6.402 9.219 1.00 0.00 C ATOM 1935 NZ LYS B 60 -1.484 4.998 9.062 1.00 0.00 N ATOM 0 H LYS B 60 -7.182 6.210 8.380 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.858 4.450 7.794 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.640 5.663 10.435 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.126 4.902 9.987 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.156 7.381 8.547 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.194 7.498 10.008 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.257 5.875 7.607 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.937 7.594 7.734 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -1.104 7.076 8.971 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.189 6.592 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.498 4.906 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.092 4.378 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.553 4.722 8.062 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.684 3.492 8.534 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.531 2.366 8.888 1.00 0.00 C ATOM 1951 C LYS B 61 -9.004 1.669 7.611 1.00 0.00 C ATOM 1952 O LYS B 61 -9.484 0.537 7.658 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.673 2.820 9.800 1.00 0.00 C ATOM 1954 CG LYS B 61 -10.841 3.373 8.981 1.00 0.00 C ATOM 1955 CD LYS B 61 -11.976 2.352 8.887 1.00 0.00 C ATOM 1956 CE LYS B 61 -13.336 3.024 9.086 1.00 0.00 C ATOM 1957 NZ LYS B 61 -14.273 2.106 9.772 1.00 0.00 N ATOM 0 H LYS B 61 -8.146 4.218 7.986 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.968 1.631 9.463 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -10.014 1.981 10.407 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -9.312 3.585 10.488 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -11.209 4.291 9.440 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -10.497 3.633 7.980 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -11.948 1.860 7.915 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -11.836 1.577 9.640 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -13.216 3.935 9.672 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -13.747 3.318 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -15.191 2.578 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -14.401 1.248 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -13.886 1.846 10.702 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.853 2.374 6.499 1.00 0.00 N ATOM 1972 CA ILE B 62 -9.258 1.836 5.211 1.00 0.00 C ATOM 1973 C ILE B 62 -8.070 1.121 4.564 1.00 0.00 C ATOM 1974 O ILE B 62 -8.245 0.340 3.630 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.863 2.937 4.338 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -11.095 3.552 5.005 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -10.173 2.415 2.933 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -11.247 5.026 4.623 1.00 0.00 C ATOM 0 H ILE B 62 -8.456 3.313 6.463 1.00 0.00 H new ATOM 0 HA ILE B 62 -10.045 1.093 5.339 1.00 0.00 H new ATOM 0 HB ILE B 62 -9.125 3.732 4.231 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.987 3.001 4.707 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -11.011 3.460 6.088 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -10.602 3.218 2.333 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -9.254 2.063 2.464 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.884 1.592 2.999 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -12.130 5.439 5.110 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -10.364 5.578 4.944 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -11.356 5.112 3.542 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.889 1.413 5.087 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.672 0.808 4.573 1.00 0.00 C ATOM 1992 C ILE B 63 -5.340 -0.438 5.396 1.00 0.00 C ATOM 1993 O ILE B 63 -5.175 -1.525 4.844 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.540 1.836 4.528 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.736 2.818 3.371 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -3.175 1.146 4.469 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -4.084 4.167 3.681 1.00 0.00 C ATOM 0 H ILE B 63 -6.748 2.061 5.862 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.815 0.481 3.543 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.569 2.416 5.451 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -4.305 2.403 2.460 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.801 2.959 3.185 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.388 1.899 4.438 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -3.045 0.521 5.353 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -3.119 0.526 3.575 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.238 4.847 2.843 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.534 4.591 4.579 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.015 4.026 3.842 1.00 0.00 H new ATOM 2009 N GLU B 64 -5.251 -0.238 6.703 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.941 -1.332 7.607 1.00 0.00 C ATOM 2011 C GLU B 64 -5.953 -2.467 7.435 1.00 0.00 C ATOM 2012 O GLU B 64 -5.605 -3.639 7.567 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.902 -0.849 9.059 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.752 0.137 9.277 1.00 0.00 C ATOM 2015 CD GLU B 64 -3.994 0.993 10.522 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.706 0.498 11.422 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.460 2.123 10.546 1.00 0.00 O ATOM 0 H GLU B 64 -5.388 0.665 7.157 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.951 -1.713 7.358 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.848 -0.372 9.313 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -4.786 -1.702 9.727 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.815 -0.409 9.383 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.649 0.780 8.403 1.00 0.00 H new ATOM 2024 N LYS B 65 -7.185 -2.078 7.141 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.250 -3.048 6.949 1.00 0.00 C ATOM 2026 C LYS B 65 -8.046 -3.765 5.613 1.00 0.00 C ATOM 2027 O LYS B 65 -8.362 -4.947 5.484 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.618 -2.376 7.083 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.995 -2.187 8.553 1.00 0.00 C ATOM 2030 CD LYS B 65 -10.615 -3.462 9.128 1.00 0.00 C ATOM 2031 CE LYS B 65 -10.288 -3.608 10.616 1.00 0.00 C ATOM 2032 NZ LYS B 65 -11.162 -2.731 11.427 1.00 0.00 N ATOM 0 H LYS B 65 -7.469 -1.105 7.031 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.217 -3.809 7.729 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.603 -1.409 6.581 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.375 -2.982 6.585 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.109 -1.918 9.128 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -10.700 -1.361 8.648 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.696 -3.439 8.990 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -10.242 -4.330 8.583 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.419 -4.646 10.923 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.243 -3.353 10.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -10.927 -2.842 12.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -11.018 -1.740 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -12.156 -2.993 11.273 1.00 0.00 H new ATOM 2046 N MET B 66 -7.517 -3.021 4.653 1.00 0.00 N ATOM 2047 CA MET B 66 -7.267 -3.571 3.332 1.00 0.00 C ATOM 2048 C MET B 66 -6.314 -4.766 3.407 1.00 0.00 C ATOM 2049 O MET B 66 -6.477 -5.741 2.675 1.00 0.00 O ATOM 2050 CB MET B 66 -6.660 -2.490 2.435 1.00 0.00 C ATOM 2051 CG MET B 66 -7.533 -2.245 1.203 1.00 0.00 C ATOM 2052 SD MET B 66 -7.665 -3.743 0.240 1.00 0.00 S ATOM 2053 CE MET B 66 -5.935 -4.092 -0.028 1.00 0.00 C ATOM 0 H MET B 66 -7.255 -2.042 4.764 1.00 0.00 H new ATOM 0 HA MET B 66 -8.215 -3.911 2.916 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.552 -1.563 2.999 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.660 -2.791 2.122 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.524 -1.912 1.510 1.00 0.00 H new ATOM 0 HG3 MET B 66 -7.103 -1.449 0.595 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.817 -4.659 -0.952 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.382 -3.156 -0.104 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.548 -4.675 0.807 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.341 -4.651 4.298 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.362 -5.710 4.479 1.00 0.00 C ATOM 2065 C LEU B 67 -5.044 -6.926 5.110 1.00 0.00 C ATOM 2066 O LEU B 67 -4.493 -8.026 5.100 1.00 0.00 O ATOM 2067 CB LEU B 67 -3.159 -5.198 5.273 1.00 0.00 C ATOM 2068 CG LEU B 67 -2.157 -4.343 4.495 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.849 -3.145 3.842 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.992 -3.914 5.390 1.00 0.00 C ATOM 0 H LEU B 67 -5.209 -3.840 4.903 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.965 -6.031 3.516 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.527 -4.614 6.116 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.630 -6.056 5.687 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.740 -4.951 3.692 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -2.114 -2.554 3.295 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.615 -3.499 3.153 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.311 -2.527 4.612 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.294 -3.307 4.813 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.373 -3.330 6.228 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.478 -4.798 5.767 1.00 0.00 H new ATOM 2082 N LYS B 68 -6.232 -6.687 5.645 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.995 -7.749 6.279 1.00 0.00 C ATOM 2084 C LYS B 68 -8.119 -8.195 5.342 1.00 0.00 C ATOM 2085 O LYS B 68 -8.528 -9.354 5.365 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.484 -7.306 7.659 1.00 0.00 C ATOM 2087 CG LYS B 68 -8.639 -8.187 8.140 1.00 0.00 C ATOM 2088 CD LYS B 68 -8.452 -8.585 9.605 1.00 0.00 C ATOM 2089 CE LYS B 68 -7.861 -9.992 9.720 1.00 0.00 C ATOM 2090 NZ LYS B 68 -8.938 -11.006 9.750 1.00 0.00 N ATOM 0 H LYS B 68 -6.685 -5.773 5.653 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.363 -8.619 6.454 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -6.662 -7.356 8.373 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -7.808 -6.266 7.618 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -9.582 -7.653 8.022 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -8.700 -9.082 7.521 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.795 -7.869 10.099 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -9.411 -8.546 10.121 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -7.197 -10.184 8.877 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -7.258 -10.067 10.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -8.519 -11.955 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -9.556 -10.832 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -9.497 -10.945 8.875 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.585 -7.250 4.539 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.654 -7.530 3.595 1.00 0.00 C ATOM 2106 C ASN B 69 -10.909 -7.950 4.362 1.00 0.00 C ATOM 2107 O ASN B 69 -11.831 -7.153 4.535 1.00 0.00 O ATOM 2108 CB ASN B 69 -9.271 -8.674 2.653 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.473 -9.124 1.820 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -11.556 -8.566 1.894 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.223 -10.161 1.027 1.00 0.00 N ATOM 0 H ASN B 69 -8.242 -6.290 4.522 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.834 -6.627 3.012 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.466 -8.352 1.992 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.890 -9.515 3.232 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.961 -10.537 0.431 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.293 -10.581 1.014 1.00 0.00 H new