USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1510 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: B 27 THR OG1 : rot -74:sc= 1.21 USER MOD Set 1.2: B 68 GLN :FLIP amide:sc= -0.0284 F(o=0.071,f=1.2) USER MOD Set 2.1: A 27 THR OG1 : rot -87:sc= 1.27 USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= -0.0248 F(o=0.11,f=1.2) USER MOD Single : A 1 MET CE :methyl -167:sc= -1.13 (180deg=-1.4) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0322) USER MOD Single : A 2 THR OG1 : rot -53:sc= 0.54 USER MOD Single : A 3 LYS NZ :NH3+ -127:sc= 0.594 (180deg=0.385) USER MOD Single : A 7 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-5.7!) USER MOD Single : A 13 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -0.0956 F(o=-0.76,f=-0.096) USER MOD Single : A 17 GLN : amide:sc= 0.895 K(o=0.9,f=-0.21) USER MOD Single : A 18 TYR OH : rot -145:sc= 0.933 USER MOD Single : A 19 SER OG : rot -109:sc= 1 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 29 SER OG : rot -57:sc= 1.02 USER MOD Single : A 30 LYS NZ :NH3+ -121:sc= -0.337 (180deg=-1.44) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 38 THR OG1 : rot -88:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.366 F(o=-1.5,f=-0.37) USER MOD Single : A 44 THR OG1 : rot -33:sc= -1.84! USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.18) USER MOD Single : A 47 ASN : amide:sc= 0.182 K(o=0.18,f=-0.73) USER MOD Single : A 49 LYS NZ :NH3+ -128:sc= -0.0706 (180deg=-0.38) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.0519 (180deg=-0.276) USER MOD Single : A 59 GLN : amide:sc= -1.65! C(o=-1.6!,f=-6.8!) USER MOD Single : A 64 ASN : amide:sc= 0.0386 K(o=0.039,f=-4.6!) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 72 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 76 SER OG : rot 31:sc= 1.1 USER MOD Single : A 83 LYS NZ :NH3+ -121:sc= 0.273 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.393 K(o=-0.39,f=-5!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.974 K(o=0.97,f=-3.5!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.939 X(o=-0.94,f=-0.93) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= -3.43! (180deg=-3.67!) USER MOD Single : B 1 MET CE :methyl -169:sc= -1.08 (180deg=-1.3) USER MOD Single : B 1 MET N :NH3+ -174:sc= 0 (180deg=-0.028) USER MOD Single : B 2 THR OG1 : rot -52:sc= 0.618 USER MOD Single : B 3 LYS NZ :NH3+ -172:sc= 0.577 (180deg=0.495) USER MOD Single : B 7 HIS : no HE2:sc= -4.88! C(o=-4.9!,f=-5.7!) USER MOD Single : B 13 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : B 16 HIS :FLIP no HE2:sc= -0.12 F(o=-0.67,f=-0.12) USER MOD Single : B 17 GLN : amide:sc= 0.841 K(o=0.84,f=-0.21) USER MOD Single : B 18 TYR OH : rot -142:sc= 1.04 USER MOD Single : B 19 SER OG : rot -113:sc= 1.05 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.0011) USER MOD Single : B 29 SER OG : rot -57:sc= 0.977 USER MOD Single : B 30 LYS NZ :NH3+ -118:sc= -0.299 (180deg=-1.4) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 38 THR OG1 : rot -83:sc= 1.22 USER MOD Single : B 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00424) USER MOD Single : B 43 ASN :FLIP amide:sc= -0.359 F(o=-1.4,f=-0.36) USER MOD Single : B 44 THR OG1 : rot -28:sc= -1.77! USER MOD Single : B 46 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.02) USER MOD Single : B 47 ASN : amide:sc= 0.139 K(o=0.14,f=-0.85) USER MOD Single : B 49 LYS NZ :NH3+ -162:sc= -0.059 (180deg=-0.393) USER MOD Single : B 51 LYS NZ :NH3+ -168:sc= -0.0198 (180deg=-0.248) USER MOD Single : B 59 GLN : amide:sc= -1.68! C(o=-1.7!,f=-6.7!) USER MOD Single : B 64 ASN : amide:sc= 0.128 K(o=0.13,f=-4.4!) USER MOD Single : B 65 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : B 72 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : B 76 SER OG : rot 31:sc= 1.13 USER MOD Single : B 83 LYS NZ :NH3+ -120:sc= 0.274 (180deg=0) USER MOD Single : B 86 HIS : no HE2:sc= -0.421 K(o=-0.42,f=-5.1!) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 1.03 K(o=1,f=-3.4!) USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 90 HIS : no HD1:sc= -0.975 X(o=-0.98,f=-0.93) USER MOD Single : B 91 LYS NZ :NH3+ -161:sc= -3.49! (180deg=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.450 0.972 15.202 1.00 4.69 N ATOM 2 CA MET A 1 -12.339 1.354 14.303 1.00 4.21 C ATOM 3 C MET A 1 -11.915 2.794 14.554 1.00 3.60 C ATOM 4 O MET A 1 -12.726 3.715 14.466 1.00 4.04 O ATOM 5 CB MET A 1 -12.749 1.180 12.842 1.00 4.50 C ATOM 6 CG MET A 1 -12.973 -0.269 12.443 1.00 5.00 C ATOM 7 SD MET A 1 -11.514 -1.297 12.710 1.00 5.79 S ATOM 8 CE MET A 1 -10.324 -0.478 11.647 1.00 6.42 C ATOM 0 H1 MET A 1 -13.668 -0.037 15.075 1.00 4.69 H new ATOM 0 H2 MET A 1 -13.173 1.145 16.189 1.00 4.69 H new ATOM 0 H3 MET A 1 -14.291 1.539 14.974 1.00 4.69 H new ATOM 0 HA MET A 1 -11.493 0.699 14.513 1.00 4.21 H new ATOM 0 HB2 MET A 1 -13.664 1.744 12.660 1.00 4.50 H new ATOM 0 HB3 MET A 1 -11.977 1.609 12.203 1.00 4.50 H new ATOM 0 HG2 MET A 1 -13.808 -0.674 13.015 1.00 5.00 H new ATOM 0 HG3 MET A 1 -13.256 -0.313 11.391 1.00 5.00 H new ATOM 0 HE1 MET A 1 -9.450 -1.116 11.520 1.00 6.42 H new ATOM 0 HE2 MET A 1 -10.777 -0.286 10.674 1.00 6.42 H new ATOM 0 HE3 MET A 1 -10.021 0.466 12.100 1.00 6.42 H new ATOM 20 N THR A 2 -10.645 2.979 14.886 1.00 3.06 N ATOM 21 CA THR A 2 -10.100 4.303 15.133 1.00 2.90 C ATOM 22 C THR A 2 -8.584 4.293 14.910 1.00 2.45 C ATOM 23 O THR A 2 -7.801 4.734 15.750 1.00 3.04 O ATOM 24 CB THR A 2 -10.451 4.795 16.561 1.00 3.67 C ATOM 25 OG1 THR A 2 -9.887 6.092 16.804 1.00 4.25 O ATOM 26 CG2 THR A 2 -9.970 3.814 17.624 1.00 4.23 C ATOM 0 H THR A 2 -9.970 2.222 14.991 1.00 3.06 H new ATOM 0 HA THR A 2 -10.551 5.002 14.429 1.00 2.90 H new ATOM 0 HB THR A 2 -11.537 4.861 16.624 1.00 3.67 H new ATOM 0 HG1 THR A 2 -8.928 6.075 16.602 1.00 4.25 H new ATOM 0 HG21 THR A 2 -10.233 4.191 18.612 1.00 4.23 H new ATOM 0 HG22 THR A 2 -10.445 2.845 17.467 1.00 4.23 H new ATOM 0 HG23 THR A 2 -8.888 3.703 17.554 1.00 4.23 H new ATOM 34 N LYS A 3 -8.181 3.789 13.755 1.00 2.16 N ATOM 35 CA LYS A 3 -6.769 3.664 13.418 1.00 2.53 C ATOM 36 C LYS A 3 -6.421 4.580 12.253 1.00 2.08 C ATOM 37 O LYS A 3 -5.438 4.358 11.540 1.00 2.81 O ATOM 38 CB LYS A 3 -6.407 2.210 13.108 1.00 3.53 C ATOM 39 CG LYS A 3 -6.655 1.277 14.286 1.00 4.29 C ATOM 40 CD LYS A 3 -6.028 -0.092 14.079 1.00 5.38 C ATOM 41 CE LYS A 3 -4.510 -0.013 14.017 1.00 5.97 C ATOM 42 NZ LYS A 3 -3.923 0.576 15.249 1.00 6.05 N ATOM 0 H LYS A 3 -8.816 3.457 13.029 1.00 2.16 H new ATOM 0 HA LYS A 3 -6.179 3.972 14.281 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -6.989 1.870 12.252 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -5.357 2.155 12.821 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -6.251 1.726 15.193 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -7.728 1.164 14.437 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -6.325 -0.755 14.892 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -6.407 -0.530 13.156 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -4.103 -1.013 13.866 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -4.215 0.585 13.155 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -3.295 1.364 14.992 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -4.685 0.927 15.863 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -3.377 -0.150 15.755 1.00 6.05 H new ATOM 56 N LEU A 4 -7.287 5.576 12.063 1.00 1.61 N ATOM 57 CA LEU A 4 -7.191 6.571 10.988 1.00 1.98 C ATOM 58 C LEU A 4 -5.752 6.880 10.573 1.00 1.51 C ATOM 59 O LEU A 4 -4.961 7.397 11.365 1.00 2.03 O ATOM 60 CB LEU A 4 -7.877 7.879 11.409 1.00 3.02 C ATOM 61 CG LEU A 4 -9.412 7.864 11.430 1.00 3.80 C ATOM 62 CD1 LEU A 4 -9.947 6.999 12.561 1.00 4.50 C ATOM 63 CD2 LEU A 4 -9.951 9.280 11.544 1.00 4.44 C ATOM 0 H LEU A 4 -8.097 5.719 12.667 1.00 1.61 H new ATOM 0 HA LEU A 4 -7.694 6.131 10.127 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -7.524 8.146 12.405 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -7.551 8.669 10.733 1.00 3.02 H new ATOM 0 HG LEU A 4 -9.754 7.429 10.491 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -11.037 7.012 12.545 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -9.595 5.975 12.434 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -9.594 7.389 13.516 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -11.041 9.255 11.558 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -9.587 9.735 12.465 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -9.613 9.868 10.691 1.00 4.44 H new ATOM 75 N GLU A 5 -5.448 6.532 9.316 1.00 1.20 N ATOM 76 CA GLU A 5 -4.171 6.822 8.634 1.00 0.93 C ATOM 77 C GLU A 5 -2.918 6.445 9.432 1.00 0.69 C ATOM 78 O GLU A 5 -1.809 6.835 9.062 1.00 0.68 O ATOM 79 CB GLU A 5 -4.095 8.291 8.186 1.00 1.39 C ATOM 80 CG GLU A 5 -4.097 9.313 9.311 1.00 1.80 C ATOM 81 CD GLU A 5 -4.106 10.737 8.801 1.00 2.48 C ATOM 82 OE1 GLU A 5 -5.170 11.197 8.345 1.00 3.10 O ATOM 83 OE2 GLU A 5 -3.051 11.408 8.868 1.00 3.00 O ATOM 0 H GLU A 5 -6.103 6.024 8.722 1.00 1.20 H new ATOM 0 HA GLU A 5 -4.174 6.172 7.759 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -3.189 8.427 7.595 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -4.939 8.497 7.528 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -4.971 9.151 9.943 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.218 9.161 9.937 1.00 1.80 H new ATOM 90 N GLU A 6 -3.078 5.657 10.488 1.00 0.68 N ATOM 91 CA GLU A 6 -1.939 5.202 11.276 1.00 0.67 C ATOM 92 C GLU A 6 -1.065 4.285 10.434 1.00 0.54 C ATOM 93 O GLU A 6 0.161 4.302 10.526 1.00 0.60 O ATOM 94 CB GLU A 6 -2.429 4.482 12.541 1.00 0.78 C ATOM 95 CG GLU A 6 -1.316 3.926 13.418 1.00 1.07 C ATOM 96 CD GLU A 6 -1.190 2.418 13.322 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.517 1.923 12.397 1.00 2.51 O ATOM 98 OE2 GLU A 6 -1.765 1.716 14.181 1.00 2.48 O ATOM 0 H GLU A 6 -3.983 5.320 10.818 1.00 0.68 H new ATOM 0 HA GLU A 6 -1.344 6.062 11.582 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -3.028 5.176 13.131 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -3.087 3.664 12.247 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.370 4.384 13.130 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -1.503 4.205 14.455 1.00 1.07 H new ATOM 105 N HIS A 7 -1.708 3.518 9.570 1.00 0.42 N ATOM 106 CA HIS A 7 -1.006 2.544 8.760 1.00 0.38 C ATOM 107 C HIS A 7 -0.394 3.182 7.524 1.00 0.35 C ATOM 108 O HIS A 7 0.726 2.845 7.156 1.00 0.39 O ATOM 109 CB HIS A 7 -1.931 1.390 8.386 1.00 0.43 C ATOM 110 CG HIS A 7 -2.081 0.402 9.498 1.00 0.95 C ATOM 111 ND1 HIS A 7 -1.473 -0.831 9.487 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.717 0.495 10.688 1.00 1.60 C ATOM 113 CE1 HIS A 7 -1.718 -1.446 10.627 1.00 2.16 C ATOM 114 NE2 HIS A 7 -2.471 -0.666 11.370 1.00 2.03 N ATOM 0 H HIS A 7 -2.715 3.553 9.413 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.185 2.144 9.355 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.911 1.785 8.118 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.539 0.884 7.503 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -3.308 1.329 11.035 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -1.360 -2.427 10.904 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -2.816 -0.890 12.303 1.00 2.03 H new ATOM 123 N LEU A 8 -1.117 4.107 6.905 1.00 0.34 N ATOM 124 CA LEU A 8 -0.611 4.820 5.733 1.00 0.32 C ATOM 125 C LEU A 8 0.613 5.637 6.095 1.00 0.33 C ATOM 126 O LEU A 8 1.710 5.407 5.587 1.00 0.33 O ATOM 127 CB LEU A 8 -1.675 5.764 5.197 1.00 0.33 C ATOM 128 CG LEU A 8 -2.998 5.100 4.828 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.971 6.133 4.312 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.781 3.996 3.803 1.00 0.33 C ATOM 0 H LEU A 8 -2.056 4.383 7.193 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.349 4.080 4.977 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.868 6.533 5.945 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.281 6.269 4.315 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.421 4.644 5.723 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.912 5.648 4.052 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.150 6.882 5.084 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.554 6.616 3.428 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.738 3.537 3.555 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.337 4.418 2.902 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -2.113 3.241 4.217 1.00 0.33 H new ATOM 142 N GLU A 9 0.415 6.572 7.010 1.00 0.37 N ATOM 143 CA GLU A 9 1.466 7.480 7.416 1.00 0.40 C ATOM 144 C GLU A 9 2.551 6.716 8.163 1.00 0.40 C ATOM 145 O GLU A 9 3.713 7.116 8.181 1.00 0.42 O ATOM 146 CB GLU A 9 0.874 8.591 8.283 1.00 0.47 C ATOM 147 CG GLU A 9 1.837 9.721 8.581 1.00 1.24 C ATOM 148 CD GLU A 9 1.185 10.841 9.363 1.00 1.72 C ATOM 149 OE1 GLU A 9 0.920 10.656 10.571 1.00 2.41 O ATOM 150 OE2 GLU A 9 0.934 11.914 8.776 1.00 2.17 O ATOM 0 H GLU A 9 -0.474 6.720 7.487 1.00 0.37 H new ATOM 0 HA GLU A 9 1.920 7.936 6.536 1.00 0.40 H new ATOM 0 HB2 GLU A 9 -0.004 8.999 7.783 1.00 0.47 H new ATOM 0 HB3 GLU A 9 0.533 8.160 9.225 1.00 0.47 H new ATOM 0 HG2 GLU A 9 2.685 9.333 9.145 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.231 10.116 7.645 1.00 1.24 H new ATOM 157 N GLY A 10 2.157 5.597 8.759 1.00 0.40 N ATOM 158 CA GLY A 10 3.101 4.745 9.441 1.00 0.43 C ATOM 159 C GLY A 10 4.035 4.026 8.488 1.00 0.39 C ATOM 160 O GLY A 10 5.224 3.929 8.755 1.00 0.44 O ATOM 0 H GLY A 10 1.192 5.266 8.780 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.689 5.344 10.136 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.558 4.010 10.035 1.00 0.43 H new ATOM 164 N ILE A 11 3.508 3.516 7.375 1.00 0.34 N ATOM 165 CA ILE A 11 4.357 2.881 6.369 1.00 0.33 C ATOM 166 C ILE A 11 5.297 3.920 5.778 1.00 0.33 C ATOM 167 O ILE A 11 6.482 3.663 5.560 1.00 0.38 O ATOM 168 CB ILE A 11 3.535 2.214 5.239 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.749 1.025 5.791 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.442 1.769 4.100 1.00 0.50 C ATOM 171 CD1 ILE A 11 1.908 0.316 4.753 1.00 1.16 C ATOM 0 H ILE A 11 2.513 3.529 7.150 1.00 0.34 H new ATOM 0 HA ILE A 11 4.924 2.092 6.863 1.00 0.33 H new ATOM 0 HB ILE A 11 2.832 2.948 4.845 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.447 0.312 6.229 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.101 1.372 6.596 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.842 1.303 3.318 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.963 2.634 3.691 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.171 1.050 4.475 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.380 -0.516 5.219 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.185 1.014 4.332 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.552 -0.062 3.959 1.00 1.16 H new ATOM 183 N VAL A 12 4.753 5.106 5.555 1.00 0.33 N ATOM 184 CA VAL A 12 5.537 6.241 5.100 1.00 0.38 C ATOM 185 C VAL A 12 6.638 6.571 6.114 1.00 0.40 C ATOM 186 O VAL A 12 7.759 6.923 5.742 1.00 0.45 O ATOM 187 CB VAL A 12 4.618 7.461 4.870 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.418 8.718 4.581 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.661 7.173 3.726 1.00 0.48 C ATOM 0 H VAL A 12 3.761 5.307 5.684 1.00 0.33 H new ATOM 0 HA VAL A 12 6.014 5.985 4.154 1.00 0.38 H new ATOM 0 HB VAL A 12 4.052 7.635 5.785 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.737 9.555 4.425 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.072 8.935 5.425 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.020 8.568 3.685 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.014 8.036 3.567 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.229 6.973 2.818 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.052 6.303 3.972 1.00 0.48 H new ATOM 199 N ASN A 13 6.314 6.427 7.394 1.00 0.42 N ATOM 200 CA ASN A 13 7.279 6.638 8.469 1.00 0.48 C ATOM 201 C ASN A 13 8.336 5.536 8.468 1.00 0.48 C ATOM 202 O ASN A 13 9.519 5.805 8.652 1.00 0.58 O ATOM 203 CB ASN A 13 6.563 6.685 9.825 1.00 0.61 C ATOM 204 CG ASN A 13 7.504 6.991 10.976 1.00 0.75 C ATOM 205 OD1 ASN A 13 7.748 8.153 11.299 1.00 1.31 O ATOM 206 ND2 ASN A 13 8.021 5.957 11.620 1.00 1.42 N ATOM 0 H ASN A 13 5.383 6.163 7.715 1.00 0.42 H new ATOM 0 HA ASN A 13 7.777 7.593 8.301 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.779 7.442 9.791 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.074 5.728 10.006 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.644 6.110 12.413 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.796 5.007 11.324 1.00 1.42 H new ATOM 213 N ILE A 14 7.899 4.299 8.257 1.00 0.47 N ATOM 214 CA ILE A 14 8.809 3.158 8.168 1.00 0.57 C ATOM 215 C ILE A 14 9.796 3.357 7.018 1.00 0.53 C ATOM 216 O ILE A 14 11.003 3.120 7.169 1.00 0.60 O ATOM 217 CB ILE A 14 8.028 1.821 8.000 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.776 1.160 9.361 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.760 0.848 7.083 1.00 1.14 C ATOM 220 CD1 ILE A 14 6.984 2.007 10.331 1.00 2.06 C ATOM 0 H ILE A 14 6.914 4.058 8.144 1.00 0.47 H new ATOM 0 HA ILE A 14 9.368 3.097 9.102 1.00 0.57 H new ATOM 0 HB ILE A 14 7.071 2.068 7.539 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.247 0.220 9.202 1.00 1.33 H new ATOM 0 HG13 ILE A 14 8.736 0.912 9.814 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.182 -0.072 6.992 1.00 1.14 H new ATOM 0 HG22 ILE A 14 8.882 1.298 6.098 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.740 0.621 7.502 1.00 1.14 H new ATOM 0 HD11 ILE A 14 6.853 1.463 11.266 1.00 2.06 H new ATOM 0 HD12 ILE A 14 7.520 2.936 10.524 1.00 2.06 H new ATOM 0 HD13 ILE A 14 6.008 2.234 9.903 1.00 2.06 H new ATOM 232 N PHE A 15 9.289 3.822 5.879 1.00 0.48 N ATOM 233 CA PHE A 15 10.150 4.124 4.752 1.00 0.58 C ATOM 234 C PHE A 15 11.109 5.241 5.127 1.00 0.60 C ATOM 235 O PHE A 15 12.283 5.179 4.801 1.00 0.70 O ATOM 236 CB PHE A 15 9.340 4.510 3.513 1.00 0.68 C ATOM 237 CG PHE A 15 10.191 4.689 2.283 1.00 1.18 C ATOM 238 CD1 PHE A 15 10.860 3.610 1.726 1.00 1.74 C ATOM 239 CD2 PHE A 15 10.327 5.932 1.689 1.00 1.93 C ATOM 240 CE1 PHE A 15 11.644 3.768 0.598 1.00 2.35 C ATOM 241 CE2 PHE A 15 11.110 6.097 0.562 1.00 2.54 C ATOM 242 CZ PHE A 15 11.768 5.014 0.016 1.00 2.57 C ATOM 0 H PHE A 15 8.297 3.995 5.718 1.00 0.48 H new ATOM 0 HA PHE A 15 10.717 3.226 4.505 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.592 3.741 3.321 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.801 5.436 3.713 1.00 0.68 H new ATOM 0 HD1 PHE A 15 10.768 2.634 2.179 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.815 6.784 2.112 1.00 1.93 H new ATOM 0 HE1 PHE A 15 12.158 2.919 0.173 1.00 2.35 H new ATOM 0 HE2 PHE A 15 11.207 7.073 0.109 1.00 2.54 H new ATOM 0 HZ PHE A 15 12.379 5.141 -0.865 1.00 2.57 H new ATOM 252 N HIS A 16 10.606 6.245 5.843 1.00 0.59 N ATOM 253 CA HIS A 16 11.447 7.339 6.330 1.00 0.71 C ATOM 254 C HIS A 16 12.577 6.811 7.210 1.00 0.75 C ATOM 255 O HIS A 16 13.698 7.313 7.162 1.00 0.88 O ATOM 256 CB HIS A 16 10.625 8.367 7.119 1.00 0.77 C ATOM 257 CG HIS A 16 9.851 9.322 6.263 1.00 1.15 C ATOM 258 ND1 HIS A 16 10.155 9.890 5.074 1.00 1.82 N flip ATOM 259 CD2 HIS A 16 8.617 9.824 6.617 1.00 1.84 C flip ATOM 260 CE1 HIS A 16 9.111 10.715 4.737 1.00 2.22 C flip ATOM 261 NE2 HIS A 16 8.197 10.655 5.685 1.00 2.23 N flip ATOM 0 H HIS A 16 9.622 6.324 6.099 1.00 0.59 H new ATOM 0 HA HIS A 16 11.874 7.828 5.455 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.931 7.837 7.771 1.00 0.77 H new ATOM 0 HB3 HIS A 16 11.296 8.936 7.763 1.00 0.77 H new ATOM 0 HD1 HIS A 16 11.003 9.734 4.529 1.00 1.82 H new ATOM 0 HD2 HIS A 16 8.078 9.575 7.519 1.00 1.84 H new ATOM 0 HE1 HIS A 16 9.049 11.315 3.841 1.00 2.22 H new ATOM 270 N GLN A 17 12.273 5.797 8.010 1.00 0.69 N ATOM 271 CA GLN A 17 13.259 5.204 8.905 1.00 0.81 C ATOM 272 C GLN A 17 14.475 4.702 8.134 1.00 0.93 C ATOM 273 O GLN A 17 15.611 5.047 8.466 1.00 1.18 O ATOM 274 CB GLN A 17 12.640 4.057 9.704 1.00 0.85 C ATOM 275 CG GLN A 17 11.555 4.498 10.672 1.00 1.27 C ATOM 276 CD GLN A 17 12.084 5.405 11.765 1.00 1.99 C ATOM 277 OE1 GLN A 17 12.104 6.629 11.622 1.00 2.60 O ATOM 278 NE2 GLN A 17 12.515 4.811 12.865 1.00 2.77 N ATOM 0 H GLN A 17 11.349 5.367 8.057 1.00 0.69 H new ATOM 0 HA GLN A 17 13.587 5.981 9.595 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.220 3.329 9.010 1.00 0.85 H new ATOM 0 HB3 GLN A 17 13.427 3.549 10.262 1.00 0.85 H new ATOM 0 HG2 GLN A 17 10.771 5.018 10.121 1.00 1.27 H new ATOM 0 HG3 GLN A 17 11.097 3.618 11.125 1.00 1.27 H new ATOM 0 HE21 GLN A 17 12.481 3.795 12.943 1.00 2.77 H new ATOM 0 HE22 GLN A 17 12.882 5.369 13.636 1.00 2.77 H new ATOM 287 N TYR A 18 14.247 3.893 7.107 1.00 0.85 N ATOM 288 CA TYR A 18 15.352 3.338 6.338 1.00 1.07 C ATOM 289 C TYR A 18 15.784 4.255 5.194 1.00 1.34 C ATOM 290 O TYR A 18 16.932 4.200 4.752 1.00 1.76 O ATOM 291 CB TYR A 18 14.980 1.949 5.821 1.00 1.22 C ATOM 292 CG TYR A 18 14.850 0.942 6.940 1.00 2.34 C ATOM 293 CD1 TYR A 18 15.961 0.251 7.395 1.00 3.25 C ATOM 294 CD2 TYR A 18 13.628 0.705 7.559 1.00 3.14 C ATOM 295 CE1 TYR A 18 15.863 -0.647 8.435 1.00 4.48 C ATOM 296 CE2 TYR A 18 13.521 -0.198 8.600 1.00 4.38 C ATOM 297 CZ TYR A 18 14.642 -0.872 9.033 1.00 4.92 C ATOM 298 OH TYR A 18 14.555 -1.760 10.081 1.00 6.25 O ATOM 0 H TYR A 18 13.320 3.610 6.791 1.00 0.85 H new ATOM 0 HA TYR A 18 16.210 3.252 7.004 1.00 1.07 H new ATOM 0 HB2 TYR A 18 14.039 2.006 5.274 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.738 1.610 5.115 1.00 1.22 H new ATOM 0 HD1 TYR A 18 16.920 0.419 6.927 1.00 3.25 H new ATOM 0 HD2 TYR A 18 12.749 1.234 7.221 1.00 3.14 H new ATOM 0 HE1 TYR A 18 16.741 -1.173 8.781 1.00 4.48 H new ATOM 0 HE2 TYR A 18 12.565 -0.374 9.071 1.00 4.38 H new ATOM 0 HH TYR A 18 13.693 -2.225 10.045 1.00 6.25 H new ATOM 308 N SER A 19 14.880 5.109 4.740 1.00 1.32 N ATOM 309 CA SER A 19 15.162 6.007 3.630 1.00 1.77 C ATOM 310 C SER A 19 14.663 7.423 3.914 1.00 1.85 C ATOM 311 O SER A 19 13.475 7.630 4.149 1.00 2.32 O ATOM 312 CB SER A 19 14.506 5.476 2.354 1.00 2.37 C ATOM 313 OG SER A 19 14.986 4.183 2.032 1.00 3.01 O ATOM 0 H SER A 19 13.940 5.200 5.125 1.00 1.32 H new ATOM 0 HA SER A 19 16.243 6.050 3.500 1.00 1.77 H new ATOM 0 HB2 SER A 19 13.424 5.443 2.484 1.00 2.37 H new ATOM 0 HB3 SER A 19 14.707 6.158 1.528 1.00 2.37 H new ATOM 0 HG SER A 19 15.556 4.234 1.236 1.00 3.01 H new ATOM 319 N VAL A 20 15.595 8.383 3.885 1.00 2.11 N ATOM 320 CA VAL A 20 15.307 9.820 4.043 1.00 2.50 C ATOM 321 C VAL A 20 14.260 10.131 5.117 1.00 2.64 C ATOM 322 O VAL A 20 13.095 10.394 4.821 1.00 3.25 O ATOM 323 CB VAL A 20 14.908 10.504 2.706 1.00 3.30 C ATOM 324 CG1 VAL A 20 16.107 10.590 1.786 1.00 3.90 C ATOM 325 CG2 VAL A 20 13.763 9.784 1.999 1.00 4.13 C ATOM 0 H VAL A 20 16.586 8.184 3.749 1.00 2.11 H new ATOM 0 HA VAL A 20 16.254 10.241 4.382 1.00 2.50 H new ATOM 0 HB VAL A 20 14.558 11.506 2.953 1.00 3.30 H new ATOM 0 HG11 VAL A 20 15.815 11.071 0.852 1.00 3.90 H new ATOM 0 HG12 VAL A 20 16.892 11.174 2.265 1.00 3.90 H new ATOM 0 HG13 VAL A 20 16.478 9.587 1.577 1.00 3.90 H new ATOM 0 HG21 VAL A 20 13.524 10.303 1.071 1.00 4.13 H new ATOM 0 HG22 VAL A 20 14.060 8.759 1.775 1.00 4.13 H new ATOM 0 HG23 VAL A 20 12.885 9.774 2.645 1.00 4.13 H new ATOM 335 N ARG A 21 14.686 10.129 6.371 1.00 2.80 N ATOM 336 CA ARG A 21 13.799 10.513 7.458 1.00 3.55 C ATOM 337 C ARG A 21 13.714 12.030 7.550 1.00 3.96 C ATOM 338 O ARG A 21 12.785 12.579 8.142 1.00 4.55 O ATOM 339 CB ARG A 21 14.258 9.913 8.792 1.00 4.19 C ATOM 340 CG ARG A 21 15.662 10.314 9.213 1.00 4.83 C ATOM 341 CD ARG A 21 16.076 9.596 10.486 1.00 5.36 C ATOM 342 NE ARG A 21 16.085 8.143 10.315 1.00 5.87 N ATOM 343 CZ ARG A 21 15.879 7.273 11.305 1.00 6.57 C ATOM 344 NH1 ARG A 21 15.640 7.706 12.535 1.00 6.84 N ATOM 345 NH2 ARG A 21 15.913 5.969 11.063 1.00 7.28 N ATOM 0 H ARG A 21 15.629 9.869 6.659 1.00 2.80 H new ATOM 0 HA ARG A 21 12.806 10.116 7.245 1.00 3.55 H new ATOM 0 HB2 ARG A 21 13.558 10.215 9.572 1.00 4.19 H new ATOM 0 HB3 ARG A 21 14.209 8.826 8.723 1.00 4.19 H new ATOM 0 HG2 ARG A 21 16.366 10.080 8.414 1.00 4.83 H new ATOM 0 HG3 ARG A 21 15.704 11.392 9.369 1.00 4.83 H new ATOM 0 HD2 ARG A 21 17.068 9.932 10.786 1.00 5.36 H new ATOM 0 HD3 ARG A 21 15.392 9.862 11.292 1.00 5.36 H new ATOM 0 HE ARG A 21 16.260 7.772 9.381 1.00 5.87 H new ATOM 0 HH11 ARG A 21 15.613 8.707 12.727 1.00 6.84 H new ATOM 0 HH12 ARG A 21 15.483 7.038 13.289 1.00 6.84 H new ATOM 0 HH21 ARG A 21 16.097 5.630 10.119 1.00 7.28 H new ATOM 0 HH22 ARG A 21 15.755 5.305 11.821 1.00 7.28 H new ATOM 359 N LYS A 22 14.686 12.702 6.946 1.00 4.13 N ATOM 360 CA LYS A 22 14.685 14.154 6.879 1.00 4.90 C ATOM 361 C LYS A 22 15.441 14.624 5.641 1.00 5.04 C ATOM 362 O LYS A 22 14.919 15.401 4.844 1.00 5.58 O ATOM 363 CB LYS A 22 15.304 14.758 8.145 1.00 5.68 C ATOM 364 CG LYS A 22 15.292 16.282 8.167 1.00 6.44 C ATOM 365 CD LYS A 22 13.878 16.837 8.067 1.00 7.32 C ATOM 366 CE LYS A 22 13.875 18.357 8.059 1.00 8.19 C ATOM 367 NZ LYS A 22 12.505 18.908 7.896 1.00 8.70 N ATOM 0 H LYS A 22 15.487 12.261 6.495 1.00 4.13 H new ATOM 0 HA LYS A 22 13.652 14.495 6.810 1.00 4.90 H new ATOM 0 HB2 LYS A 22 14.763 14.387 9.016 1.00 5.68 H new ATOM 0 HB3 LYS A 22 16.333 14.410 8.237 1.00 5.68 H new ATOM 0 HG2 LYS A 22 15.757 16.636 9.087 1.00 6.44 H new ATOM 0 HG3 LYS A 22 15.891 16.662 7.340 1.00 6.44 H new ATOM 0 HD2 LYS A 22 13.404 16.466 7.158 1.00 7.32 H new ATOM 0 HD3 LYS A 22 13.284 16.475 8.906 1.00 7.32 H new ATOM 0 HE2 LYS A 22 14.306 18.726 8.990 1.00 8.19 H new ATOM 0 HE3 LYS A 22 14.510 18.717 7.249 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 12.547 19.947 7.896 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 12.103 18.577 6.996 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 11.905 18.586 8.682 1.00 8.70 H new ATOM 381 N GLY A 23 16.665 14.141 5.477 1.00 4.88 N ATOM 382 CA GLY A 23 17.467 14.534 4.337 1.00 5.26 C ATOM 383 C GLY A 23 18.586 13.553 4.052 1.00 5.25 C ATOM 384 O GLY A 23 19.477 13.358 4.880 1.00 5.67 O ATOM 0 H GLY A 23 17.116 13.484 6.113 1.00 4.88 H new ATOM 0 HA2 GLY A 23 16.828 14.617 3.458 1.00 5.26 H new ATOM 0 HA3 GLY A 23 17.891 15.522 4.518 1.00 5.26 H new ATOM 388 N HIS A 24 18.535 12.931 2.884 1.00 5.15 N ATOM 389 CA HIS A 24 19.554 11.978 2.469 1.00 5.44 C ATOM 390 C HIS A 24 19.476 11.779 0.957 1.00 4.99 C ATOM 391 O HIS A 24 18.972 10.761 0.478 1.00 5.43 O ATOM 392 CB HIS A 24 19.373 10.643 3.203 1.00 6.29 C ATOM 393 CG HIS A 24 20.517 9.689 3.033 1.00 6.92 C ATOM 394 ND1 HIS A 24 20.347 8.366 2.687 1.00 7.55 N ATOM 395 CD2 HIS A 24 21.851 9.866 3.191 1.00 7.35 C ATOM 396 CE1 HIS A 24 21.524 7.772 2.641 1.00 8.27 C ATOM 397 NE2 HIS A 24 22.453 8.658 2.940 1.00 8.17 N ATOM 0 H HIS A 24 17.791 13.071 2.200 1.00 5.15 H new ATOM 0 HA HIS A 24 20.538 12.370 2.726 1.00 5.44 H new ATOM 0 HB2 HIS A 24 19.235 10.841 4.266 1.00 6.29 H new ATOM 0 HB3 HIS A 24 18.460 10.166 2.846 1.00 6.29 H new ATOM 0 HD2 HIS A 24 22.348 10.785 3.463 1.00 7.35 H new ATOM 0 HE1 HIS A 24 21.697 6.734 2.399 1.00 8.27 H new ATOM 0 HE2 HIS A 24 23.456 8.476 2.979 1.00 8.17 H new ATOM 406 N PHE A 25 19.980 12.772 0.225 1.00 4.48 N ATOM 407 CA PHE A 25 19.907 12.811 -1.239 1.00 4.32 C ATOM 408 C PHE A 25 18.467 13.038 -1.699 1.00 3.71 C ATOM 409 O PHE A 25 18.082 14.163 -2.020 1.00 3.95 O ATOM 410 CB PHE A 25 20.470 11.529 -1.875 1.00 4.90 C ATOM 411 CG PHE A 25 21.919 11.275 -1.568 1.00 5.62 C ATOM 412 CD1 PHE A 25 22.915 11.909 -2.292 1.00 6.16 C ATOM 413 CD2 PHE A 25 22.286 10.397 -0.562 1.00 6.16 C ATOM 414 CE1 PHE A 25 24.248 11.669 -2.018 1.00 7.08 C ATOM 415 CE2 PHE A 25 23.615 10.155 -0.282 1.00 7.09 C ATOM 416 CZ PHE A 25 24.597 10.792 -1.012 1.00 7.50 C ATOM 0 H PHE A 25 20.454 13.578 0.632 1.00 4.48 H new ATOM 0 HA PHE A 25 20.524 13.646 -1.572 1.00 4.32 H new ATOM 0 HB2 PHE A 25 19.883 10.678 -1.531 1.00 4.90 H new ATOM 0 HB3 PHE A 25 20.344 11.587 -2.956 1.00 4.90 H new ATOM 0 HD1 PHE A 25 22.647 12.598 -3.079 1.00 6.16 H new ATOM 0 HD2 PHE A 25 21.521 9.895 0.011 1.00 6.16 H new ATOM 0 HE1 PHE A 25 25.016 12.168 -2.591 1.00 7.08 H new ATOM 0 HE2 PHE A 25 23.886 9.469 0.507 1.00 7.09 H new ATOM 0 HZ PHE A 25 25.638 10.604 -0.796 1.00 7.50 H new ATOM 426 N ASP A 26 17.681 11.969 -1.697 1.00 3.49 N ATOM 427 CA ASP A 26 16.278 12.015 -2.104 1.00 3.48 C ATOM 428 C ASP A 26 15.655 10.645 -1.909 1.00 3.05 C ATOM 429 O ASP A 26 14.851 10.435 -1.008 1.00 3.62 O ATOM 430 CB ASP A 26 16.138 12.432 -3.574 1.00 4.39 C ATOM 431 CG ASP A 26 14.690 12.531 -4.017 1.00 5.09 C ATOM 432 OD1 ASP A 26 14.080 11.486 -4.333 1.00 5.48 O ATOM 433 OD2 ASP A 26 14.154 13.656 -4.064 1.00 5.62 O ATOM 0 H ASP A 26 17.997 11.042 -1.413 1.00 3.49 H new ATOM 0 HA ASP A 26 15.766 12.755 -1.489 1.00 3.48 H new ATOM 0 HB2 ASP A 26 16.626 13.395 -3.723 1.00 4.39 H new ATOM 0 HB3 ASP A 26 16.658 11.710 -4.204 1.00 4.39 H new ATOM 438 N THR A 27 16.049 9.724 -2.770 1.00 2.55 N ATOM 439 CA THR A 27 15.632 8.333 -2.703 1.00 2.52 C ATOM 440 C THR A 27 16.711 7.483 -3.351 1.00 1.71 C ATOM 441 O THR A 27 17.125 7.760 -4.480 1.00 2.29 O ATOM 442 CB THR A 27 14.281 8.109 -3.419 1.00 3.34 C ATOM 443 OG1 THR A 27 14.244 8.861 -4.639 1.00 3.84 O ATOM 444 CG2 THR A 27 13.112 8.509 -2.527 1.00 3.94 C ATOM 0 H THR A 27 16.678 9.924 -3.548 1.00 2.55 H new ATOM 0 HA THR A 27 15.495 8.052 -1.659 1.00 2.52 H new ATOM 0 HB THR A 27 14.188 7.047 -3.644 1.00 3.34 H new ATOM 0 HG1 THR A 27 13.915 9.766 -4.456 1.00 3.84 H new ATOM 0 HG21 THR A 27 12.175 8.340 -3.058 1.00 3.94 H new ATOM 0 HG22 THR A 27 13.127 7.909 -1.617 1.00 3.94 H new ATOM 0 HG23 THR A 27 13.197 9.564 -2.267 1.00 3.94 H new ATOM 452 N LEU A 28 17.203 6.483 -2.638 1.00 1.14 N ATOM 453 CA LEU A 28 18.358 5.744 -3.113 1.00 0.90 C ATOM 454 C LEU A 28 17.976 4.395 -3.705 1.00 0.71 C ATOM 455 O LEU A 28 16.804 4.120 -3.967 1.00 0.76 O ATOM 456 CB LEU A 28 19.392 5.579 -1.999 1.00 1.66 C ATOM 457 CG LEU A 28 20.013 6.885 -1.496 1.00 2.02 C ATOM 458 CD1 LEU A 28 21.083 6.595 -0.463 1.00 2.91 C ATOM 459 CD2 LEU A 28 20.594 7.688 -2.650 1.00 2.37 C ATOM 0 H LEU A 28 16.827 6.169 -1.743 1.00 1.14 H new ATOM 0 HA LEU A 28 18.805 6.329 -3.917 1.00 0.90 H new ATOM 0 HB2 LEU A 28 18.920 5.071 -1.158 1.00 1.66 H new ATOM 0 HB3 LEU A 28 20.190 4.929 -2.358 1.00 1.66 H new ATOM 0 HG LEU A 28 19.228 7.479 -1.029 1.00 2.02 H new ATOM 0 HD11 LEU A 28 21.516 7.533 -0.114 1.00 2.91 H new ATOM 0 HD12 LEU A 28 20.641 6.064 0.380 1.00 2.91 H new ATOM 0 HD13 LEU A 28 21.863 5.979 -0.910 1.00 2.91 H new ATOM 0 HD21 LEU A 28 21.029 8.611 -2.268 1.00 2.37 H new ATOM 0 HD22 LEU A 28 21.366 7.102 -3.149 1.00 2.37 H new ATOM 0 HD23 LEU A 28 19.803 7.927 -3.361 1.00 2.37 H new ATOM 471 N SER A 29 18.976 3.561 -3.908 1.00 0.61 N ATOM 472 CA SER A 29 18.826 2.351 -4.687 1.00 0.49 C ATOM 473 C SER A 29 18.277 1.174 -3.877 1.00 0.44 C ATOM 474 O SER A 29 17.833 1.331 -2.738 1.00 0.53 O ATOM 475 CB SER A 29 20.169 1.992 -5.312 1.00 0.55 C ATOM 476 OG SER A 29 20.710 3.105 -6.006 1.00 1.35 O ATOM 0 H SER A 29 19.915 3.704 -3.537 1.00 0.61 H new ATOM 0 HA SER A 29 18.087 2.550 -5.463 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.863 1.668 -4.536 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.045 1.154 -5.998 1.00 0.55 H new ATOM 0 HG SER A 29 20.070 3.412 -6.682 1.00 1.35 H new ATOM 482 N LYS A 30 18.309 0.000 -4.497 1.00 0.38 N ATOM 483 CA LYS A 30 17.779 -1.232 -3.923 1.00 0.36 C ATOM 484 C LYS A 30 18.394 -1.579 -2.553 1.00 0.36 C ATOM 485 O LYS A 30 17.802 -2.332 -1.788 1.00 0.37 O ATOM 486 CB LYS A 30 18.008 -2.358 -4.940 1.00 0.39 C ATOM 487 CG LYS A 30 17.981 -3.773 -4.387 1.00 0.41 C ATOM 488 CD LYS A 30 18.006 -4.811 -5.509 1.00 0.50 C ATOM 489 CE LYS A 30 18.865 -4.374 -6.699 1.00 0.52 C ATOM 490 NZ LYS A 30 20.284 -4.112 -6.328 1.00 1.32 N ATOM 0 H LYS A 30 18.710 -0.125 -5.427 1.00 0.38 H new ATOM 0 HA LYS A 30 16.715 -1.098 -3.728 1.00 0.36 H new ATOM 0 HB2 LYS A 30 17.248 -2.279 -5.717 1.00 0.39 H new ATOM 0 HB3 LYS A 30 18.973 -2.196 -5.420 1.00 0.39 H new ATOM 0 HG2 LYS A 30 18.837 -3.925 -3.730 1.00 0.41 H new ATOM 0 HG3 LYS A 30 17.086 -3.911 -3.781 1.00 0.41 H new ATOM 0 HD2 LYS A 30 18.388 -5.754 -5.118 1.00 0.50 H new ATOM 0 HD3 LYS A 30 16.987 -4.996 -5.850 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.833 -5.147 -7.467 1.00 0.52 H new ATOM 0 HE3 LYS A 30 18.437 -3.472 -7.137 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 20.528 -3.129 -6.563 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.410 -4.265 -5.307 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 20.906 -4.759 -6.854 1.00 1.32 H new ATOM 504 N GLY A 31 19.559 -1.016 -2.243 1.00 0.39 N ATOM 505 CA GLY A 31 20.255 -1.343 -1.000 1.00 0.40 C ATOM 506 C GLY A 31 19.411 -1.154 0.250 1.00 0.38 C ATOM 507 O GLY A 31 19.243 -2.084 1.040 1.00 0.39 O ATOM 0 H GLY A 31 20.039 -0.335 -2.831 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.591 -2.379 -1.046 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.147 -0.722 -0.921 1.00 0.40 H new ATOM 511 N GLU A 32 18.874 0.043 0.426 1.00 0.44 N ATOM 512 CA GLU A 32 18.117 0.366 1.633 1.00 0.50 C ATOM 513 C GLU A 32 16.748 -0.293 1.625 1.00 0.42 C ATOM 514 O GLU A 32 16.199 -0.622 2.680 1.00 0.44 O ATOM 515 CB GLU A 32 18.000 1.876 1.830 1.00 0.67 C ATOM 516 CG GLU A 32 17.823 2.679 0.552 1.00 0.96 C ATOM 517 CD GLU A 32 17.956 4.169 0.795 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.003 4.593 1.334 1.00 2.10 O ATOM 519 OE2 GLU A 32 17.021 4.923 0.459 1.00 2.44 O ATOM 0 H GLU A 32 18.946 0.807 -0.246 1.00 0.44 H new ATOM 0 HA GLU A 32 18.671 -0.037 2.481 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.154 2.077 2.488 1.00 0.67 H new ATOM 0 HB3 GLU A 32 18.894 2.231 2.343 1.00 0.67 H new ATOM 0 HG2 GLU A 32 18.566 2.363 -0.180 1.00 0.96 H new ATOM 0 HG3 GLU A 32 16.843 2.468 0.124 1.00 0.96 H new ATOM 526 N LEU A 33 16.215 -0.492 0.433 1.00 0.38 N ATOM 527 CA LEU A 33 14.992 -1.258 0.262 1.00 0.34 C ATOM 528 C LEU A 33 15.214 -2.662 0.783 1.00 0.29 C ATOM 529 O LEU A 33 14.465 -3.154 1.613 1.00 0.32 O ATOM 530 CB LEU A 33 14.615 -1.328 -1.209 1.00 0.34 C ATOM 531 CG LEU A 33 13.260 -1.966 -1.497 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.135 -1.119 -0.925 1.00 0.52 C ATOM 533 CD2 LEU A 33 13.079 -2.173 -2.987 1.00 0.46 C ATOM 0 H LEU A 33 16.612 -0.132 -0.435 1.00 0.38 H new ATOM 0 HA LEU A 33 14.186 -0.772 0.813 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.618 -0.318 -1.618 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.384 -1.889 -1.740 1.00 0.34 H new ATOM 0 HG LEU A 33 13.226 -2.941 -1.011 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.177 -1.592 -1.142 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.260 -1.029 0.154 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.160 -0.127 -1.377 1.00 0.52 H new ATOM 0 HD21 LEU A 33 12.107 -2.629 -3.176 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.134 -1.211 -3.497 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.866 -2.828 -3.362 1.00 0.46 H new ATOM 545 N LYS A 34 16.275 -3.276 0.279 1.00 0.29 N ATOM 546 CA LYS A 34 16.706 -4.601 0.686 1.00 0.31 C ATOM 547 C LYS A 34 16.756 -4.715 2.202 1.00 0.35 C ATOM 548 O LYS A 34 16.238 -5.671 2.776 1.00 0.41 O ATOM 549 CB LYS A 34 18.086 -4.868 0.094 1.00 0.34 C ATOM 550 CG LYS A 34 18.763 -6.121 0.626 1.00 0.53 C ATOM 551 CD LYS A 34 20.275 -6.062 0.463 1.00 0.85 C ATOM 552 CE LYS A 34 20.692 -5.933 -0.993 1.00 1.30 C ATOM 553 NZ LYS A 34 22.171 -5.938 -1.145 1.00 1.87 N ATOM 0 H LYS A 34 16.869 -2.858 -0.437 1.00 0.29 H new ATOM 0 HA LYS A 34 15.992 -5.339 0.321 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.994 -4.951 -0.989 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.727 -4.010 0.295 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.516 -6.247 1.680 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.375 -6.994 0.101 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.667 -5.216 1.027 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.720 -6.962 0.888 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.265 -6.754 -1.568 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.287 -5.010 -1.407 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.417 -5.848 -2.152 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 22.577 -5.139 -0.617 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 22.555 -6.830 -0.773 1.00 1.87 H new ATOM 567 N GLN A 35 17.382 -3.733 2.843 1.00 0.35 N ATOM 568 CA GLN A 35 17.440 -3.691 4.295 1.00 0.43 C ATOM 569 C GLN A 35 16.042 -3.733 4.889 1.00 0.43 C ATOM 570 O GLN A 35 15.699 -4.686 5.578 1.00 0.50 O ATOM 571 CB GLN A 35 18.185 -2.450 4.776 1.00 0.50 C ATOM 572 CG GLN A 35 19.691 -2.597 4.723 1.00 1.07 C ATOM 573 CD GLN A 35 20.413 -1.349 5.183 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.709 -0.457 4.389 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.707 -1.282 6.469 1.00 2.07 N ATOM 0 H GLN A 35 17.855 -2.958 2.378 1.00 0.35 H new ATOM 0 HA GLN A 35 17.988 -4.570 4.635 1.00 0.43 H new ATOM 0 HB2 GLN A 35 17.888 -1.597 4.165 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.884 -2.228 5.800 1.00 0.50 H new ATOM 0 HG2 GLN A 35 19.993 -3.438 5.347 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.994 -2.833 3.703 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.443 -2.044 7.093 1.00 2.07 H new ATOM 0 HE22 GLN A 35 21.198 -0.468 6.838 1.00 2.07 H new ATOM 584 N LEU A 36 15.235 -2.720 4.582 1.00 0.38 N ATOM 585 CA LEU A 36 13.871 -2.628 5.093 1.00 0.39 C ATOM 586 C LEU A 36 13.126 -3.941 4.871 1.00 0.38 C ATOM 587 O LEU A 36 12.503 -4.475 5.771 1.00 0.45 O ATOM 588 CB LEU A 36 13.139 -1.482 4.389 1.00 0.36 C ATOM 589 CG LEU A 36 11.719 -1.189 4.879 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.395 0.277 4.667 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.700 -2.054 4.148 1.00 0.40 C ATOM 0 H LEU A 36 15.506 -1.945 3.976 1.00 0.38 H new ATOM 0 HA LEU A 36 13.907 -2.432 6.165 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.734 -0.575 4.500 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.095 -1.706 3.323 1.00 0.36 H new ATOM 0 HG LEU A 36 11.668 -1.424 5.942 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.383 0.480 5.017 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.102 0.890 5.225 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.466 0.516 3.606 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.699 -1.826 4.515 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.750 -1.849 3.079 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.921 -3.106 4.327 1.00 0.40 H new ATOM 603 N LEU A 37 13.228 -4.462 3.670 1.00 0.34 N ATOM 604 CA LEU A 37 12.508 -5.660 3.278 1.00 0.35 C ATOM 605 C LEU A 37 12.937 -6.881 4.077 1.00 0.41 C ATOM 606 O LEU A 37 12.104 -7.572 4.661 1.00 0.45 O ATOM 607 CB LEU A 37 12.721 -5.911 1.794 1.00 0.34 C ATOM 608 CG LEU A 37 12.175 -4.815 0.883 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.480 -5.120 -0.573 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.683 -4.649 1.109 1.00 0.32 C ATOM 0 H LEU A 37 13.813 -4.069 2.933 1.00 0.34 H new ATOM 0 HA LEU A 37 11.451 -5.496 3.486 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.789 -6.023 1.607 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.249 -6.857 1.527 1.00 0.34 H new ATOM 0 HG LEU A 37 12.668 -3.875 1.130 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.081 -4.325 -1.203 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.559 -5.186 -0.713 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.019 -6.068 -0.850 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.301 -3.865 0.455 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.175 -5.587 0.886 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.501 -4.376 2.148 1.00 0.32 H new ATOM 622 N THR A 38 14.235 -7.135 4.113 1.00 0.45 N ATOM 623 CA THR A 38 14.760 -8.330 4.741 1.00 0.53 C ATOM 624 C THR A 38 14.486 -8.347 6.241 1.00 0.59 C ATOM 625 O THR A 38 14.248 -9.404 6.823 1.00 0.66 O ATOM 626 CB THR A 38 16.277 -8.468 4.500 1.00 0.55 C ATOM 627 OG1 THR A 38 16.943 -7.243 4.831 1.00 1.23 O ATOM 628 CG2 THR A 38 16.567 -8.826 3.052 1.00 1.03 C ATOM 0 H THR A 38 14.946 -6.524 3.711 1.00 0.45 H new ATOM 0 HA THR A 38 14.245 -9.174 4.282 1.00 0.53 H new ATOM 0 HB THR A 38 16.648 -9.269 5.139 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.950 -6.653 4.049 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.644 -8.917 2.908 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.087 -9.774 2.808 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.179 -8.044 2.399 1.00 1.03 H new ATOM 636 N LYS A 39 14.528 -7.184 6.870 1.00 0.58 N ATOM 637 CA LYS A 39 14.384 -7.121 8.314 1.00 0.66 C ATOM 638 C LYS A 39 12.960 -6.787 8.769 1.00 0.64 C ATOM 639 O LYS A 39 12.564 -7.174 9.869 1.00 0.72 O ATOM 640 CB LYS A 39 15.399 -6.150 8.913 1.00 0.72 C ATOM 641 CG LYS A 39 15.262 -4.725 8.422 1.00 0.68 C ATOM 642 CD LYS A 39 16.577 -3.963 8.543 1.00 0.73 C ATOM 643 CE LYS A 39 17.053 -3.893 9.987 1.00 0.87 C ATOM 644 NZ LYS A 39 18.309 -3.111 10.127 1.00 1.61 N ATOM 0 H LYS A 39 14.659 -6.283 6.411 1.00 0.58 H new ATOM 0 HA LYS A 39 14.589 -8.123 8.691 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.297 -6.159 9.998 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.404 -6.506 8.684 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.936 -4.727 7.382 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.490 -4.214 8.997 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.337 -4.449 7.932 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.451 -2.954 8.152 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.275 -3.441 10.603 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.212 -4.903 10.365 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 18.595 -3.090 11.127 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 19.060 -3.556 9.561 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 18.152 -2.139 9.792 1.00 1.61 H new ATOM 658 N GLU A 40 12.189 -6.087 7.940 1.00 0.57 N ATOM 659 CA GLU A 40 10.840 -5.673 8.338 1.00 0.58 C ATOM 660 C GLU A 40 9.787 -6.613 7.765 1.00 0.56 C ATOM 661 O GLU A 40 8.832 -6.987 8.442 1.00 0.64 O ATOM 662 CB GLU A 40 10.537 -4.238 7.884 1.00 0.58 C ATOM 663 CG GLU A 40 11.411 -3.177 8.529 1.00 0.87 C ATOM 664 CD GLU A 40 11.383 -3.216 10.047 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.300 -3.024 10.640 1.00 1.67 O ATOM 666 OE2 GLU A 40 12.458 -3.421 10.650 1.00 1.63 O ATOM 0 H GLU A 40 12.466 -5.797 7.002 1.00 0.57 H new ATOM 0 HA GLU A 40 10.804 -5.714 9.427 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.655 -4.180 6.802 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.493 -4.014 8.103 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.438 -3.306 8.188 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.085 -2.193 8.192 1.00 0.87 H new ATOM 673 N LEU A 41 9.965 -7.000 6.514 1.00 0.50 N ATOM 674 CA LEU A 41 8.965 -7.806 5.822 1.00 0.49 C ATOM 675 C LEU A 41 9.474 -9.231 5.652 1.00 0.52 C ATOM 676 O LEU A 41 9.042 -9.963 4.759 1.00 0.53 O ATOM 677 CB LEU A 41 8.632 -7.186 4.460 1.00 0.43 C ATOM 678 CG LEU A 41 8.370 -5.673 4.474 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.846 -5.208 3.127 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.401 -5.293 5.585 1.00 1.42 C ATOM 0 H LEU A 41 10.788 -6.772 5.956 1.00 0.50 H new ATOM 0 HA LEU A 41 8.053 -7.830 6.419 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.456 -7.389 3.776 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.752 -7.687 4.057 1.00 0.43 H new ATOM 0 HG LEU A 41 9.318 -5.171 4.669 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.667 -4.133 3.158 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.581 -5.431 2.354 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.913 -5.725 2.901 1.00 1.22 H new ATOM 0 HD21 LEU A 41 7.235 -4.216 5.570 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.453 -5.809 5.433 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.821 -5.582 6.549 1.00 1.42 H new ATOM 692 N ALA A 42 10.390 -9.595 6.547 1.00 0.58 N ATOM 693 CA ALA A 42 11.074 -10.891 6.537 1.00 0.64 C ATOM 694 C ALA A 42 10.137 -12.083 6.331 1.00 0.71 C ATOM 695 O ALA A 42 10.474 -13.026 5.614 1.00 0.78 O ATOM 696 CB ALA A 42 11.840 -11.067 7.839 1.00 0.71 C ATOM 0 H ALA A 42 10.684 -8.989 7.313 1.00 0.58 H new ATOM 0 HA ALA A 42 11.750 -10.879 5.682 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.350 -12.030 7.834 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.575 -10.268 7.940 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.145 -11.029 8.678 1.00 0.71 H new ATOM 702 N ASN A 43 8.972 -12.045 6.951 1.00 0.74 N ATOM 703 CA ASN A 43 8.060 -13.180 6.905 1.00 0.83 C ATOM 704 C ASN A 43 6.747 -12.793 6.226 1.00 0.83 C ATOM 705 O ASN A 43 5.690 -13.357 6.510 1.00 1.07 O ATOM 706 CB ASN A 43 7.800 -13.698 8.325 1.00 0.99 C ATOM 707 CG ASN A 43 7.068 -15.030 8.358 1.00 1.28 C ATOM 708 OD1 ASN A 43 7.331 -15.884 7.379 1.00 1.56 O flip ATOM 709 ND2 ASN A 43 6.282 -15.297 9.270 1.00 2.16 N flip ATOM 0 H ASN A 43 8.634 -11.248 7.490 1.00 0.74 H new ATOM 0 HA ASN A 43 8.521 -13.975 6.318 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.752 -13.802 8.846 1.00 0.99 H new ATOM 0 HB3 ASN A 43 7.217 -12.958 8.873 1.00 0.99 H new ATOM 0 HD21 ASN A 43 6.105 -14.614 10.007 1.00 2.16 H new ATOM 0 HD22 ASN A 43 5.809 -16.201 9.288 1.00 2.16 H new ATOM 716 N THR A 44 6.811 -11.830 5.322 1.00 0.65 N ATOM 717 CA THR A 44 5.620 -11.388 4.623 1.00 0.61 C ATOM 718 C THR A 44 5.707 -11.761 3.155 1.00 0.59 C ATOM 719 O THR A 44 4.893 -12.526 2.637 1.00 0.66 O ATOM 720 CB THR A 44 5.446 -9.869 4.739 1.00 0.56 C ATOM 721 OG1 THR A 44 5.812 -9.442 6.056 1.00 0.65 O ATOM 722 CG2 THR A 44 4.005 -9.471 4.450 1.00 0.53 C ATOM 0 H THR A 44 7.668 -11.344 5.058 1.00 0.65 H new ATOM 0 HA THR A 44 4.763 -11.881 5.082 1.00 0.61 H new ATOM 0 HB THR A 44 6.093 -9.386 4.006 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.589 -10.145 6.702 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.902 -8.389 4.537 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.738 -9.781 3.440 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.343 -9.958 5.166 1.00 0.53 H new ATOM 730 N ILE A 45 6.722 -11.228 2.503 1.00 0.52 N ATOM 731 CA ILE A 45 6.938 -11.455 1.090 1.00 0.52 C ATOM 732 C ILE A 45 7.740 -12.739 0.896 1.00 0.59 C ATOM 733 O ILE A 45 8.658 -13.013 1.672 1.00 0.60 O ATOM 734 CB ILE A 45 7.689 -10.257 0.477 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.946 -8.944 0.776 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.859 -10.445 -1.024 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.634 -7.718 0.213 1.00 0.36 C ATOM 0 H ILE A 45 7.420 -10.625 2.939 1.00 0.52 H new ATOM 0 HA ILE A 45 5.976 -11.558 0.587 1.00 0.52 H new ATOM 0 HB ILE A 45 8.679 -10.203 0.931 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.938 -9.005 0.366 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.845 -8.831 1.855 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.391 -9.590 -1.440 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.429 -11.355 -1.215 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.879 -10.526 -1.494 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.055 -6.829 0.462 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.633 -7.632 0.642 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.711 -7.809 -0.870 1.00 0.36 H new ATOM 749 N LYS A 46 7.367 -13.543 -0.109 1.00 0.67 N ATOM 750 CA LYS A 46 8.030 -14.824 -0.347 1.00 0.73 C ATOM 751 C LYS A 46 9.529 -14.631 -0.502 1.00 0.68 C ATOM 752 O LYS A 46 9.978 -13.847 -1.339 1.00 0.63 O ATOM 753 CB LYS A 46 7.425 -15.557 -1.574 1.00 0.82 C ATOM 754 CG LYS A 46 8.150 -15.362 -2.910 1.00 0.79 C ATOM 755 CD LYS A 46 9.298 -16.357 -3.068 1.00 0.75 C ATOM 756 CE LYS A 46 9.992 -16.238 -4.417 1.00 0.88 C ATOM 757 NZ LYS A 46 9.201 -16.853 -5.515 1.00 1.61 N ATOM 0 H LYS A 46 6.615 -13.328 -0.764 1.00 0.67 H new ATOM 0 HA LYS A 46 7.859 -15.457 0.523 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.395 -16.624 -1.354 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.393 -15.228 -1.694 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.444 -15.485 -3.731 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.536 -14.345 -2.972 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.026 -16.196 -2.273 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.915 -17.370 -2.948 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.165 -15.186 -4.642 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.969 -16.718 -4.364 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.811 -16.993 -6.346 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.827 -17.771 -5.201 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 8.411 -16.225 -5.767 1.00 1.61 H new ATOM 771 N ASN A 47 10.282 -15.329 0.346 1.00 0.71 N ATOM 772 CA ASN A 47 11.742 -15.318 0.308 1.00 0.67 C ATOM 773 C ASN A 47 12.290 -13.911 0.146 1.00 0.59 C ATOM 774 O ASN A 47 13.201 -13.681 -0.643 1.00 0.57 O ATOM 775 CB ASN A 47 12.260 -16.204 -0.822 1.00 0.69 C ATOM 776 CG ASN A 47 12.081 -17.682 -0.540 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.019 -18.256 -0.793 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.126 -18.313 -0.038 1.00 1.24 N ATOM 0 H ASN A 47 9.895 -15.920 1.081 1.00 0.71 H new ATOM 0 HA ASN A 47 12.090 -15.712 1.263 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.739 -15.949 -1.745 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.317 -15.996 -0.985 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.073 -19.313 0.155 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.986 -17.800 0.157 1.00 1.24 H new ATOM 785 N ILE A 48 11.738 -12.976 0.905 1.00 0.55 N ATOM 786 CA ILE A 48 12.160 -11.577 0.843 1.00 0.48 C ATOM 787 C ILE A 48 13.634 -11.435 1.225 1.00 0.48 C ATOM 788 O ILE A 48 14.247 -10.384 1.056 1.00 0.43 O ATOM 789 CB ILE A 48 11.298 -10.704 1.780 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.548 -9.217 1.531 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.584 -11.045 3.229 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.352 -8.807 0.092 1.00 0.38 C ATOM 0 H ILE A 48 10.992 -13.159 1.576 1.00 0.55 H new ATOM 0 HA ILE A 48 12.026 -11.236 -0.184 1.00 0.48 H new ATOM 0 HB ILE A 48 10.250 -10.914 1.566 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.877 -8.633 2.162 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.566 -8.972 1.835 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.969 -10.421 3.878 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.352 -12.095 3.408 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.637 -10.864 3.444 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.546 -7.739 -0.012 1.00 0.38 H new ATOM 0 HD12 ILE A 48 12.041 -9.364 -0.542 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.327 -9.021 -0.211 1.00 0.38 H new ATOM 804 N LYS A 49 14.190 -12.516 1.733 1.00 0.56 N ATOM 805 CA LYS A 49 15.576 -12.554 2.148 1.00 0.57 C ATOM 806 C LYS A 49 16.473 -12.850 0.957 1.00 0.55 C ATOM 807 O LYS A 49 17.697 -12.731 1.034 1.00 0.56 O ATOM 808 CB LYS A 49 15.753 -13.624 3.216 1.00 0.65 C ATOM 809 CG LYS A 49 14.779 -13.477 4.372 1.00 0.73 C ATOM 810 CD LYS A 49 14.914 -12.125 5.055 1.00 0.72 C ATOM 811 CE LYS A 49 16.170 -12.030 5.909 1.00 0.82 C ATOM 812 NZ LYS A 49 16.163 -13.014 7.023 1.00 1.11 N ATOM 0 H LYS A 49 13.691 -13.395 1.870 1.00 0.56 H new ATOM 0 HA LYS A 49 15.856 -11.584 2.558 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.624 -14.607 2.762 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.772 -13.581 3.600 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.760 -13.599 4.006 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.954 -14.270 5.098 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.931 -11.339 4.300 1.00 0.72 H new ATOM 0 HD3 LYS A 49 14.039 -11.947 5.680 1.00 0.72 H new ATOM 0 HE2 LYS A 49 17.047 -12.197 5.284 1.00 0.82 H new ATOM 0 HE3 LYS A 49 16.256 -11.023 6.316 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 16.351 -12.524 7.921 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 15.234 -13.478 7.070 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 16.899 -13.730 6.859 1.00 1.11 H new ATOM 826 N ASP A 50 15.851 -13.232 -0.143 1.00 0.55 N ATOM 827 CA ASP A 50 16.574 -13.594 -1.346 1.00 0.56 C ATOM 828 C ASP A 50 16.753 -12.403 -2.256 1.00 0.50 C ATOM 829 O ASP A 50 15.807 -11.690 -2.577 1.00 0.47 O ATOM 830 CB ASP A 50 15.861 -14.726 -2.086 1.00 0.62 C ATOM 831 CG ASP A 50 16.318 -16.095 -1.624 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.423 -16.522 -2.023 1.00 1.58 O ATOM 833 OD2 ASP A 50 15.580 -16.757 -0.866 1.00 1.57 O ATOM 0 H ASP A 50 14.837 -13.300 -0.227 1.00 0.55 H new ATOM 0 HA ASP A 50 17.562 -13.942 -1.046 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.785 -14.635 -1.935 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.042 -14.627 -3.156 1.00 0.62 H new ATOM 838 N LYS A 51 17.995 -12.207 -2.667 1.00 0.50 N ATOM 839 CA LYS A 51 18.374 -11.108 -3.537 1.00 0.48 C ATOM 840 C LYS A 51 17.663 -11.199 -4.875 1.00 0.50 C ATOM 841 O LYS A 51 17.379 -10.183 -5.498 1.00 0.48 O ATOM 842 CB LYS A 51 19.879 -11.134 -3.748 1.00 0.53 C ATOM 843 CG LYS A 51 20.386 -10.146 -4.785 1.00 0.83 C ATOM 844 CD LYS A 51 20.082 -8.708 -4.399 1.00 0.60 C ATOM 845 CE LYS A 51 20.502 -7.748 -5.497 1.00 0.83 C ATOM 846 NZ LYS A 51 21.935 -7.908 -5.862 1.00 0.92 N ATOM 0 H LYS A 51 18.774 -12.811 -2.404 1.00 0.50 H new ATOM 0 HA LYS A 51 18.081 -10.171 -3.064 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.370 -10.928 -2.797 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.174 -12.140 -4.048 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.462 -10.269 -4.907 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.929 -10.367 -5.750 1.00 0.83 H new ATOM 0 HD2 LYS A 51 19.015 -8.598 -4.204 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.603 -8.458 -3.474 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.883 -7.913 -6.379 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.324 -6.724 -5.170 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.232 -7.110 -6.460 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.513 -7.927 -4.998 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.063 -8.798 -6.384 1.00 0.92 H new ATOM 860 N ALA A 52 17.382 -12.416 -5.313 1.00 0.55 N ATOM 861 CA ALA A 52 16.660 -12.621 -6.555 1.00 0.60 C ATOM 862 C ALA A 52 15.240 -12.128 -6.391 1.00 0.58 C ATOM 863 O ALA A 52 14.647 -11.566 -7.307 1.00 0.60 O ATOM 864 CB ALA A 52 16.666 -14.088 -6.944 1.00 0.67 C ATOM 0 H ALA A 52 17.643 -13.274 -4.827 1.00 0.55 H new ATOM 0 HA ALA A 52 17.151 -12.060 -7.350 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.119 -14.219 -7.878 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.694 -14.425 -7.075 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.189 -14.675 -6.159 1.00 0.67 H new ATOM 870 N VAL A 53 14.726 -12.316 -5.190 1.00 0.54 N ATOM 871 CA VAL A 53 13.386 -11.874 -4.847 1.00 0.53 C ATOM 872 C VAL A 53 13.362 -10.361 -4.726 1.00 0.47 C ATOM 873 O VAL A 53 12.496 -9.690 -5.285 1.00 0.48 O ATOM 874 CB VAL A 53 12.916 -12.516 -3.524 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.701 -11.799 -2.953 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.596 -13.983 -3.736 1.00 0.60 C ATOM 0 H VAL A 53 15.222 -12.777 -4.427 1.00 0.54 H new ATOM 0 HA VAL A 53 12.705 -12.186 -5.639 1.00 0.53 H new ATOM 0 HB VAL A 53 13.731 -12.423 -2.806 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.399 -12.279 -2.022 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.952 -10.756 -2.759 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.880 -11.847 -3.669 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.266 -14.423 -2.795 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.804 -14.079 -4.479 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.488 -14.503 -4.087 1.00 0.60 H new ATOM 886 N ILE A 54 14.340 -9.834 -4.007 1.00 0.42 N ATOM 887 CA ILE A 54 14.486 -8.396 -3.835 1.00 0.36 C ATOM 888 C ILE A 54 14.690 -7.692 -5.170 1.00 0.38 C ATOM 889 O ILE A 54 14.183 -6.595 -5.386 1.00 0.38 O ATOM 890 CB ILE A 54 15.663 -8.091 -2.914 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.380 -8.711 -1.553 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.893 -6.584 -2.797 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.413 -8.381 -0.512 1.00 0.38 C ATOM 0 H ILE A 54 15.052 -10.386 -3.528 1.00 0.42 H new ATOM 0 HA ILE A 54 13.565 -8.023 -3.388 1.00 0.36 H new ATOM 0 HB ILE A 54 16.576 -8.519 -3.329 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.405 -8.371 -1.205 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.320 -9.794 -1.662 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.738 -6.395 -2.135 1.00 0.32 H new ATOM 0 HG22 ILE A 54 16.106 -6.171 -3.783 1.00 0.32 H new ATOM 0 HG23 ILE A 54 15.000 -6.110 -2.390 1.00 0.32 H new ATOM 0 HD11 ILE A 54 16.144 -8.857 0.431 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.387 -8.745 -0.838 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.457 -7.301 -0.373 1.00 0.38 H new ATOM 905 N ASP A 55 15.439 -8.331 -6.053 1.00 0.43 N ATOM 906 CA ASP A 55 15.653 -7.818 -7.397 1.00 0.47 C ATOM 907 C ASP A 55 14.332 -7.740 -8.117 1.00 0.48 C ATOM 908 O ASP A 55 13.940 -6.687 -8.592 1.00 0.49 O ATOM 909 CB ASP A 55 16.608 -8.725 -8.160 1.00 0.55 C ATOM 910 CG ASP A 55 16.631 -8.456 -9.654 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.443 -7.618 -10.099 1.00 1.44 O ATOM 912 OD2 ASP A 55 15.853 -9.097 -10.393 1.00 1.53 O ATOM 0 H ASP A 55 15.913 -9.214 -5.861 1.00 0.43 H new ATOM 0 HA ASP A 55 16.093 -6.823 -7.336 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.614 -8.599 -7.760 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.325 -9.764 -7.990 1.00 0.55 H new ATOM 917 N GLU A 56 13.647 -8.867 -8.155 1.00 0.51 N ATOM 918 CA GLU A 56 12.319 -8.957 -8.732 1.00 0.54 C ATOM 919 C GLU A 56 11.424 -7.816 -8.251 1.00 0.47 C ATOM 920 O GLU A 56 10.715 -7.184 -9.040 1.00 0.49 O ATOM 921 CB GLU A 56 11.714 -10.296 -8.340 1.00 0.58 C ATOM 922 CG GLU A 56 12.188 -11.455 -9.198 1.00 0.69 C ATOM 923 CD GLU A 56 11.473 -12.745 -8.870 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.225 -12.768 -8.909 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.152 -13.745 -8.571 1.00 1.66 O ATOM 0 H GLU A 56 13.998 -9.750 -7.785 1.00 0.51 H new ATOM 0 HA GLU A 56 12.395 -8.877 -9.816 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.958 -10.504 -7.298 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.628 -10.227 -8.406 1.00 0.58 H new ATOM 0 HG2 GLU A 56 12.031 -11.213 -10.249 1.00 0.69 H new ATOM 0 HG3 GLU A 56 13.260 -11.592 -9.059 1.00 0.69 H new ATOM 932 N ILE A 57 11.481 -7.543 -6.958 1.00 0.42 N ATOM 933 CA ILE A 57 10.678 -6.502 -6.359 1.00 0.39 C ATOM 934 C ILE A 57 11.154 -5.115 -6.777 1.00 0.36 C ATOM 935 O ILE A 57 10.404 -4.361 -7.386 1.00 0.37 O ATOM 936 CB ILE A 57 10.725 -6.624 -4.839 1.00 0.40 C ATOM 937 CG1 ILE A 57 10.111 -7.955 -4.409 1.00 0.48 C ATOM 938 CG2 ILE A 57 10.011 -5.461 -4.184 1.00 0.59 C ATOM 939 CD1 ILE A 57 10.115 -8.174 -2.918 1.00 1.00 C ATOM 0 H ILE A 57 12.084 -8.037 -6.300 1.00 0.42 H new ATOM 0 HA ILE A 57 9.653 -6.626 -6.710 1.00 0.39 H new ATOM 0 HB ILE A 57 11.765 -6.597 -4.515 1.00 0.40 H new ATOM 0 HG12 ILE A 57 9.084 -8.004 -4.771 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.657 -8.768 -4.888 1.00 0.48 H new ATOM 0 HG21 ILE A 57 10.057 -5.569 -3.100 1.00 0.59 H new ATOM 0 HG22 ILE A 57 10.492 -4.528 -4.476 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.969 -5.448 -4.503 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.663 -9.140 -2.691 1.00 1.00 H new ATOM 0 HD12 ILE A 57 11.141 -8.158 -2.551 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.544 -7.383 -2.433 1.00 1.00 H new ATOM 951 N PHE A 58 12.406 -4.794 -6.458 1.00 0.35 N ATOM 952 CA PHE A 58 12.966 -3.479 -6.749 1.00 0.36 C ATOM 953 C PHE A 58 12.840 -3.150 -8.225 1.00 0.41 C ATOM 954 O PHE A 58 12.416 -2.061 -8.593 1.00 0.44 O ATOM 955 CB PHE A 58 14.438 -3.409 -6.344 1.00 0.38 C ATOM 956 CG PHE A 58 15.079 -2.094 -6.686 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.755 -0.947 -5.980 1.00 1.52 C ATOM 958 CD2 PHE A 58 15.996 -2.003 -7.721 1.00 1.12 C ATOM 959 CE1 PHE A 58 15.336 0.264 -6.296 1.00 1.68 C ATOM 960 CE2 PHE A 58 16.579 -0.794 -8.041 1.00 1.16 C ATOM 961 CZ PHE A 58 16.249 0.341 -7.328 1.00 0.93 C ATOM 0 H PHE A 58 13.054 -5.432 -5.995 1.00 0.35 H new ATOM 0 HA PHE A 58 12.400 -2.750 -6.169 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.522 -3.580 -5.271 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.984 -4.213 -6.839 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.039 -1.001 -5.173 1.00 1.52 H new ATOM 0 HD2 PHE A 58 16.257 -2.888 -8.283 1.00 1.12 H new ATOM 0 HE1 PHE A 58 15.077 1.151 -5.736 1.00 1.68 H new ATOM 0 HE2 PHE A 58 17.293 -0.736 -8.849 1.00 1.16 H new ATOM 0 HZ PHE A 58 16.705 1.288 -7.577 1.00 0.93 H new ATOM 971 N GLN A 59 13.199 -4.110 -9.057 1.00 0.45 N ATOM 972 CA GLN A 59 13.136 -3.943 -10.495 1.00 0.52 C ATOM 973 C GLN A 59 11.690 -3.757 -10.949 1.00 0.52 C ATOM 974 O GLN A 59 11.425 -3.159 -11.991 1.00 0.57 O ATOM 975 CB GLN A 59 13.768 -5.155 -11.187 1.00 0.58 C ATOM 976 CG GLN A 59 15.255 -5.343 -10.888 1.00 0.61 C ATOM 977 CD GLN A 59 16.126 -4.209 -11.402 1.00 1.10 C ATOM 978 OE1 GLN A 59 15.695 -3.056 -11.501 1.00 1.92 O ATOM 979 NE2 GLN A 59 17.367 -4.529 -11.726 1.00 1.63 N ATOM 0 H GLN A 59 13.541 -5.023 -8.756 1.00 0.45 H new ATOM 0 HA GLN A 59 13.695 -3.049 -10.772 1.00 0.52 H new ATOM 0 HB2 GLN A 59 13.231 -6.054 -10.883 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.636 -5.054 -12.264 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.392 -5.436 -9.811 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.591 -6.279 -11.334 1.00 0.61 H new ATOM 0 HE21 GLN A 59 17.687 -5.493 -11.630 1.00 1.63 H new ATOM 0 HE22 GLN A 59 18.005 -3.812 -12.071 1.00 1.63 H new ATOM 988 N GLY A 60 10.755 -4.272 -10.152 1.00 0.48 N ATOM 989 CA GLY A 60 9.348 -4.065 -10.428 1.00 0.49 C ATOM 990 C GLY A 60 8.854 -2.698 -9.977 1.00 0.47 C ATOM 991 O GLY A 60 7.930 -2.142 -10.574 1.00 0.53 O ATOM 0 H GLY A 60 10.950 -4.829 -9.320 1.00 0.48 H new ATOM 0 HA2 GLY A 60 9.172 -4.175 -11.498 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.766 -4.840 -9.928 1.00 0.49 H new ATOM 995 N LEU A 61 9.466 -2.146 -8.928 1.00 0.42 N ATOM 996 CA LEU A 61 9.057 -0.841 -8.412 1.00 0.44 C ATOM 997 C LEU A 61 9.744 0.261 -9.187 1.00 0.51 C ATOM 998 O LEU A 61 9.142 1.290 -9.478 1.00 0.58 O ATOM 999 CB LEU A 61 9.414 -0.668 -6.933 1.00 0.39 C ATOM 1000 CG LEU A 61 9.419 -1.932 -6.084 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.974 -1.615 -4.707 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.020 -2.519 -5.979 1.00 0.35 C ATOM 0 H LEU A 61 10.240 -2.579 -8.424 1.00 0.42 H new ATOM 0 HA LEU A 61 7.974 -0.784 -8.524 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.402 -0.212 -6.871 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.709 0.037 -6.492 1.00 0.39 H new ATOM 0 HG LEU A 61 10.055 -2.677 -6.562 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.978 -2.520 -4.099 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.992 -1.238 -4.803 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.351 -0.859 -4.229 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.049 -3.421 -5.368 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.353 -1.790 -5.519 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.654 -2.767 -6.975 1.00 0.35 H new ATOM 1014 N ASP A 62 11.013 0.030 -9.502 1.00 0.50 N ATOM 1015 CA ASP A 62 11.849 1.005 -10.198 1.00 0.59 C ATOM 1016 C ASP A 62 11.401 1.156 -11.649 1.00 0.70 C ATOM 1017 O ASP A 62 12.094 0.755 -12.585 1.00 0.75 O ATOM 1018 CB ASP A 62 13.324 0.575 -10.120 1.00 0.57 C ATOM 1019 CG ASP A 62 14.279 1.552 -10.783 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.392 2.699 -10.307 1.00 1.40 O ATOM 1021 OD2 ASP A 62 14.943 1.163 -11.771 1.00 1.11 O ATOM 0 H ASP A 62 11.494 -0.842 -9.282 1.00 0.50 H new ATOM 0 HA ASP A 62 11.743 1.975 -9.713 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.605 0.459 -9.073 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.434 -0.403 -10.589 1.00 0.57 H new ATOM 1026 N ALA A 63 10.216 1.717 -11.820 1.00 0.78 N ATOM 1027 CA ALA A 63 9.654 1.958 -13.134 1.00 0.94 C ATOM 1028 C ALA A 63 10.258 3.216 -13.725 1.00 1.12 C ATOM 1029 O ALA A 63 10.232 3.426 -14.937 1.00 1.30 O ATOM 1030 CB ALA A 63 8.141 2.072 -13.048 1.00 0.99 C ATOM 0 H ALA A 63 9.618 2.018 -11.050 1.00 0.78 H new ATOM 0 HA ALA A 63 9.892 1.118 -13.786 1.00 0.94 H new ATOM 0 HB1 ALA A 63 7.733 2.253 -14.042 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.728 1.145 -12.649 1.00 0.99 H new ATOM 0 HB3 ALA A 63 7.875 2.900 -12.390 1.00 0.99 H new ATOM 1036 N ASN A 64 10.817 4.042 -12.852 1.00 1.09 N ATOM 1037 CA ASN A 64 11.518 5.243 -13.275 1.00 1.28 C ATOM 1038 C ASN A 64 12.850 4.866 -13.919 1.00 1.21 C ATOM 1039 O ASN A 64 13.430 5.637 -14.684 1.00 1.37 O ATOM 1040 CB ASN A 64 11.740 6.184 -12.084 1.00 1.34 C ATOM 1041 CG ASN A 64 12.706 5.620 -11.056 1.00 2.03 C ATOM 1042 OD1 ASN A 64 13.910 5.848 -11.134 1.00 2.55 O ATOM 1043 ND2 ASN A 64 12.188 4.880 -10.088 1.00 2.80 N ATOM 0 H ASN A 64 10.798 3.900 -11.842 1.00 1.09 H new ATOM 0 HA ASN A 64 10.908 5.767 -14.011 1.00 1.28 H new ATOM 0 HB2 ASN A 64 12.121 7.138 -12.448 1.00 1.34 H new ATOM 0 HB3 ASN A 64 10.783 6.385 -11.603 1.00 1.34 H new ATOM 0 HD21 ASN A 64 12.795 4.477 -9.374 1.00 2.80 H new ATOM 0 HD22 ASN A 64 11.182 4.713 -10.057 1.00 2.80 H new ATOM 1050 N GLN A 65 13.299 3.647 -13.604 1.00 1.03 N ATOM 1051 CA GLN A 65 14.462 3.021 -14.234 1.00 1.05 C ATOM 1052 C GLN A 65 15.752 3.790 -13.980 1.00 1.04 C ATOM 1053 O GLN A 65 16.622 3.863 -14.849 1.00 1.17 O ATOM 1054 CB GLN A 65 14.239 2.844 -15.736 1.00 1.31 C ATOM 1055 CG GLN A 65 13.094 1.903 -16.072 1.00 1.37 C ATOM 1056 CD GLN A 65 12.879 1.742 -17.563 1.00 2.03 C ATOM 1057 OE1 GLN A 65 13.951 1.823 -18.334 1.00 2.72 O flip ATOM 1058 NE2 GLN A 65 11.755 1.531 -18.020 1.00 2.57 N flip ATOM 0 H GLN A 65 12.858 3.061 -12.895 1.00 1.03 H new ATOM 0 HA GLN A 65 14.574 2.040 -13.772 1.00 1.05 H new ATOM 0 HB2 GLN A 65 14.041 3.818 -16.183 1.00 1.31 H new ATOM 0 HB3 GLN A 65 15.155 2.465 -16.189 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.293 0.926 -15.631 1.00 1.37 H new ATOM 0 HG3 GLN A 65 12.177 2.278 -15.617 1.00 1.37 H new ATOM 0 HE21 GLN A 65 10.952 1.475 -17.394 1.00 2.57 H new ATOM 0 HE22 GLN A 65 11.627 1.412 -19.025 1.00 2.57 H new ATOM 1067 N ASP A 66 15.886 4.346 -12.788 1.00 0.93 N ATOM 1068 CA ASP A 66 17.108 5.048 -12.419 1.00 0.95 C ATOM 1069 C ASP A 66 17.756 4.409 -11.207 1.00 0.81 C ATOM 1070 O ASP A 66 18.697 4.961 -10.631 1.00 0.82 O ATOM 1071 CB ASP A 66 16.849 6.526 -12.140 1.00 1.06 C ATOM 1072 CG ASP A 66 16.899 7.374 -13.393 1.00 1.42 C ATOM 1073 OD1 ASP A 66 17.996 7.508 -13.980 1.00 1.89 O ATOM 1074 OD2 ASP A 66 15.853 7.926 -13.790 1.00 2.13 O ATOM 0 H ASP A 66 15.170 4.327 -12.062 1.00 0.93 H new ATOM 0 HA ASP A 66 17.786 4.972 -13.269 1.00 0.95 H new ATOM 0 HB2 ASP A 66 15.872 6.637 -11.670 1.00 1.06 H new ATOM 0 HB3 ASP A 66 17.589 6.892 -11.428 1.00 1.06 H new ATOM 1079 N GLU A 67 17.241 3.243 -10.830 1.00 0.73 N ATOM 1080 CA GLU A 67 17.761 2.485 -9.701 1.00 0.63 C ATOM 1081 C GLU A 67 17.565 3.275 -8.411 1.00 0.58 C ATOM 1082 O GLU A 67 18.498 3.485 -7.635 1.00 0.60 O ATOM 1083 CB GLU A 67 19.238 2.134 -9.924 1.00 0.68 C ATOM 1084 CG GLU A 67 19.779 1.117 -8.939 1.00 0.97 C ATOM 1085 CD GLU A 67 21.241 0.801 -9.169 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.095 1.667 -8.885 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.547 -0.322 -9.623 1.00 2.01 O ATOM 0 H GLU A 67 16.452 2.799 -11.299 1.00 0.73 H new ATOM 0 HA GLU A 67 17.210 1.549 -9.614 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.362 1.748 -10.936 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.833 3.045 -9.856 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.648 1.495 -7.925 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.197 0.199 -9.015 1.00 0.97 H new ATOM 1094 N GLN A 68 16.337 3.721 -8.194 1.00 0.61 N ATOM 1095 CA GLN A 68 15.990 4.425 -6.974 1.00 0.65 C ATOM 1096 C GLN A 68 14.536 4.171 -6.605 1.00 0.66 C ATOM 1097 O GLN A 68 13.618 4.483 -7.369 1.00 0.78 O ATOM 1098 CB GLN A 68 16.254 5.931 -7.105 1.00 0.85 C ATOM 1099 CG GLN A 68 15.544 6.593 -8.277 1.00 1.38 C ATOM 1100 CD GLN A 68 15.734 8.099 -8.310 1.00 1.63 C ATOM 1101 OE1 GLN A 68 15.847 8.718 -7.144 1.00 2.16 O flip ATOM 1102 NE2 GLN A 68 15.759 8.708 -9.380 1.00 2.07 N flip ATOM 0 H GLN A 68 15.564 3.606 -8.850 1.00 0.61 H new ATOM 0 HA GLN A 68 16.625 4.041 -6.176 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.945 6.423 -6.183 1.00 0.85 H new ATOM 0 HB3 GLN A 68 17.327 6.092 -7.208 1.00 0.85 H new ATOM 0 HG2 GLN A 68 15.915 6.165 -9.208 1.00 1.38 H new ATOM 0 HG3 GLN A 68 14.479 6.368 -8.224 1.00 1.38 H new ATOM 0 HE21 GLN A 68 15.669 8.198 -10.259 1.00 2.07 H new ATOM 0 HE22 GLN A 68 15.870 9.722 -9.387 1.00 2.07 H new ATOM 1111 N VAL A 69 14.331 3.569 -5.447 1.00 0.59 N ATOM 1112 CA VAL A 69 12.993 3.371 -4.933 1.00 0.64 C ATOM 1113 C VAL A 69 12.484 4.651 -4.265 1.00 0.64 C ATOM 1114 O VAL A 69 12.948 5.051 -3.196 1.00 0.68 O ATOM 1115 CB VAL A 69 12.931 2.171 -3.951 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.956 2.309 -2.832 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.529 2.012 -3.382 1.00 1.22 C ATOM 0 H VAL A 69 15.074 3.210 -4.848 1.00 0.59 H new ATOM 0 HA VAL A 69 12.342 3.136 -5.775 1.00 0.64 H new ATOM 0 HB VAL A 69 13.178 1.271 -4.514 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.883 1.451 -2.164 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.958 2.352 -3.259 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.761 3.223 -2.271 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.509 1.165 -2.696 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.249 2.919 -2.847 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.824 1.838 -4.195 1.00 1.22 H new ATOM 1127 N ASP A 70 11.552 5.312 -4.932 1.00 0.67 N ATOM 1128 CA ASP A 70 10.904 6.492 -4.380 1.00 0.73 C ATOM 1129 C ASP A 70 9.731 6.058 -3.512 1.00 0.64 C ATOM 1130 O ASP A 70 9.429 4.872 -3.456 1.00 0.56 O ATOM 1131 CB ASP A 70 10.430 7.417 -5.515 1.00 0.84 C ATOM 1132 CG ASP A 70 9.779 8.697 -5.025 1.00 1.38 C ATOM 1133 OD1 ASP A 70 10.505 9.664 -4.721 1.00 1.99 O ATOM 1134 OD2 ASP A 70 8.528 8.739 -4.939 1.00 2.02 O ATOM 0 H ASP A 70 11.225 5.050 -5.862 1.00 0.67 H new ATOM 0 HA ASP A 70 11.614 7.047 -3.767 1.00 0.73 H new ATOM 0 HB2 ASP A 70 11.282 7.671 -6.145 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.721 6.876 -6.141 1.00 0.84 H new ATOM 1139 N PHE A 71 9.073 6.986 -2.837 1.00 0.70 N ATOM 1140 CA PHE A 71 7.893 6.649 -2.050 1.00 0.66 C ATOM 1141 C PHE A 71 6.829 6.030 -2.947 1.00 0.55 C ATOM 1142 O PHE A 71 6.086 5.151 -2.527 1.00 0.48 O ATOM 1143 CB PHE A 71 7.321 7.885 -1.361 1.00 0.82 C ATOM 1144 CG PHE A 71 8.237 8.506 -0.346 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.341 9.246 -0.742 1.00 1.92 C ATOM 1146 CD2 PHE A 71 7.991 8.352 1.007 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.180 9.817 0.191 1.00 2.17 C ATOM 1148 CE2 PHE A 71 8.826 8.922 1.946 1.00 1.76 C ATOM 1149 CZ PHE A 71 9.923 9.655 1.537 1.00 1.76 C ATOM 0 H PHE A 71 9.331 7.972 -2.816 1.00 0.70 H new ATOM 0 HA PHE A 71 8.191 5.932 -1.285 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.079 8.630 -2.119 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.386 7.614 -0.871 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.546 9.377 -1.794 1.00 1.92 H new ATOM 0 HD2 PHE A 71 7.135 7.779 1.332 1.00 1.50 H new ATOM 0 HE1 PHE A 71 11.037 10.390 -0.131 1.00 2.17 H new ATOM 0 HE2 PHE A 71 8.622 8.795 2.999 1.00 1.76 H new ATOM 0 HZ PHE A 71 10.579 10.101 2.270 1.00 1.76 H new ATOM 1159 N GLN A 72 6.764 6.505 -4.185 1.00 0.59 N ATOM 1160 CA GLN A 72 5.845 5.961 -5.176 1.00 0.56 C ATOM 1161 C GLN A 72 6.247 4.542 -5.576 1.00 0.49 C ATOM 1162 O GLN A 72 5.403 3.652 -5.702 1.00 0.47 O ATOM 1163 CB GLN A 72 5.825 6.858 -6.407 1.00 0.69 C ATOM 1164 CG GLN A 72 4.897 6.361 -7.494 1.00 0.74 C ATOM 1165 CD GLN A 72 5.080 7.107 -8.797 1.00 1.08 C ATOM 1166 OE1 GLN A 72 4.418 8.114 -9.048 1.00 1.66 O ATOM 1167 NE2 GLN A 72 5.992 6.629 -9.627 1.00 1.66 N ATOM 0 H GLN A 72 7.342 7.272 -4.528 1.00 0.59 H new ATOM 0 HA GLN A 72 4.849 5.923 -4.735 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.522 7.862 -6.111 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.835 6.935 -6.809 1.00 0.69 H new ATOM 0 HG2 GLN A 72 5.073 5.298 -7.660 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.864 6.465 -7.161 1.00 0.74 H new ATOM 0 HE21 GLN A 72 6.518 5.791 -9.379 1.00 1.66 H new ATOM 0 HE22 GLN A 72 6.169 7.098 -10.515 1.00 1.66 H new ATOM 1176 N GLU A 73 7.536 4.335 -5.778 1.00 0.49 N ATOM 1177 CA GLU A 73 8.049 3.020 -6.135 1.00 0.46 C ATOM 1178 C GLU A 73 7.938 2.088 -4.927 1.00 0.36 C ATOM 1179 O GLU A 73 7.742 0.887 -5.055 1.00 0.32 O ATOM 1180 CB GLU A 73 9.502 3.123 -6.615 1.00 0.56 C ATOM 1181 CG GLU A 73 9.785 4.327 -7.517 1.00 0.78 C ATOM 1182 CD GLU A 73 9.000 4.335 -8.821 1.00 1.15 C ATOM 1183 OE1 GLU A 73 7.782 4.608 -8.790 1.00 1.82 O ATOM 1184 OE2 GLU A 73 9.606 4.094 -9.890 1.00 1.99 O ATOM 0 H GLU A 73 8.249 5.060 -5.701 1.00 0.49 H new ATOM 0 HA GLU A 73 7.457 2.611 -6.953 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.157 3.174 -5.745 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.759 2.212 -7.155 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.559 5.240 -6.966 1.00 0.78 H new ATOM 0 HG3 GLU A 73 10.850 4.350 -7.748 1.00 0.78 H new ATOM 1191 N PHE A 74 8.046 2.662 -3.743 1.00 0.37 N ATOM 1192 CA PHE A 74 7.839 1.922 -2.513 1.00 0.34 C ATOM 1193 C PHE A 74 6.352 1.663 -2.311 1.00 0.32 C ATOM 1194 O PHE A 74 5.957 0.751 -1.593 1.00 0.33 O ATOM 1195 CB PHE A 74 8.415 2.700 -1.327 1.00 0.43 C ATOM 1196 CG PHE A 74 8.398 1.941 -0.030 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.330 0.946 0.215 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.459 2.229 0.948 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.326 0.253 1.409 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.450 1.538 2.143 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.384 0.549 2.374 1.00 1.89 C ATOM 0 H PHE A 74 8.278 3.646 -3.607 1.00 0.37 H new ATOM 0 HA PHE A 74 8.355 0.964 -2.580 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.442 2.984 -1.556 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.850 3.624 -1.203 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.068 0.710 -0.537 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.726 3.003 0.773 1.00 1.44 H new ATOM 0 HE1 PHE A 74 10.059 -0.520 1.588 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.712 1.771 2.897 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.378 0.007 3.308 1.00 1.89 H new ATOM 1211 N ILE A 75 5.537 2.463 -2.976 1.00 0.33 N ATOM 1212 CA ILE A 75 4.098 2.311 -2.927 1.00 0.35 C ATOM 1213 C ILE A 75 3.695 1.028 -3.633 1.00 0.34 C ATOM 1214 O ILE A 75 2.830 0.287 -3.160 1.00 0.36 O ATOM 1215 CB ILE A 75 3.402 3.541 -3.555 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.881 4.454 -2.461 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.286 3.145 -4.505 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.575 5.844 -2.947 1.00 0.67 C ATOM 0 H ILE A 75 5.856 3.234 -3.563 1.00 0.33 H new ATOM 0 HA ILE A 75 3.778 2.247 -1.887 1.00 0.35 H new ATOM 0 HB ILE A 75 4.144 4.077 -4.147 1.00 0.41 H new ATOM 0 HG12 ILE A 75 1.978 4.019 -2.032 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.619 4.510 -1.661 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.827 4.042 -4.921 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.694 2.538 -5.313 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.534 2.570 -3.964 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.207 6.447 -2.117 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.481 6.296 -3.350 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.815 5.798 -3.727 1.00 0.67 H new ATOM 1230 N SER A 76 4.349 0.751 -4.753 1.00 0.34 N ATOM 1231 CA SER A 76 4.144 -0.505 -5.431 1.00 0.36 C ATOM 1232 C SER A 76 4.756 -1.639 -4.613 1.00 0.31 C ATOM 1233 O SER A 76 4.264 -2.757 -4.636 1.00 0.33 O ATOM 1234 CB SER A 76 4.707 -0.456 -6.853 1.00 0.45 C ATOM 1235 OG SER A 76 5.914 0.279 -6.905 1.00 0.74 O ATOM 0 H SER A 76 5.018 1.377 -5.201 1.00 0.34 H new ATOM 0 HA SER A 76 3.074 -0.693 -5.521 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.881 -1.470 -7.212 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.974 -0.003 -7.521 1.00 0.45 H new ATOM 0 HG SER A 76 6.389 0.188 -6.053 1.00 0.74 H new ATOM 1241 N LEU A 77 5.806 -1.337 -3.854 1.00 0.28 N ATOM 1242 CA LEU A 77 6.377 -2.310 -2.924 1.00 0.26 C ATOM 1243 C LEU A 77 5.321 -2.742 -1.918 1.00 0.23 C ATOM 1244 O LEU A 77 5.144 -3.932 -1.660 1.00 0.23 O ATOM 1245 CB LEU A 77 7.604 -1.718 -2.203 1.00 0.30 C ATOM 1246 CG LEU A 77 8.298 -2.609 -1.153 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.596 -2.534 0.198 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.366 -4.050 -1.630 1.00 1.15 C ATOM 0 H LEU A 77 6.277 -0.432 -3.863 1.00 0.28 H new ATOM 0 HA LEU A 77 6.706 -3.184 -3.487 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.342 -1.447 -2.958 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.296 -0.795 -1.713 1.00 0.30 H new ATOM 0 HG LEU A 77 9.313 -2.232 -1.026 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.113 -3.175 0.913 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.608 -1.505 0.558 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.564 -2.869 0.091 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.859 -4.661 -0.874 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.357 -4.426 -1.798 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.931 -4.099 -2.561 1.00 1.15 H new ATOM 1260 N VAL A 78 4.612 -1.770 -1.359 1.00 0.24 N ATOM 1261 CA VAL A 78 3.567 -2.065 -0.394 1.00 0.25 C ATOM 1262 C VAL A 78 2.462 -2.856 -1.066 1.00 0.27 C ATOM 1263 O VAL A 78 1.794 -3.654 -0.434 1.00 0.28 O ATOM 1264 CB VAL A 78 2.962 -0.795 0.229 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.060 -1.160 1.391 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.053 0.166 0.676 1.00 0.31 C ATOM 0 H VAL A 78 4.742 -0.778 -1.557 1.00 0.24 H new ATOM 0 HA VAL A 78 4.027 -2.643 0.408 1.00 0.25 H new ATOM 0 HB VAL A 78 2.365 -0.291 -0.531 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.638 -0.253 1.823 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.254 -1.803 1.038 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.639 -1.688 2.149 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.598 1.055 1.113 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.685 -0.321 1.419 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.659 0.453 -0.183 1.00 0.31 H new ATOM 1276 N ALA A 79 2.283 -2.631 -2.355 1.00 0.31 N ATOM 1277 CA ALA A 79 1.337 -3.406 -3.135 1.00 0.35 C ATOM 1278 C ALA A 79 1.740 -4.880 -3.131 1.00 0.33 C ATOM 1279 O ALA A 79 0.938 -5.760 -2.813 1.00 0.33 O ATOM 1280 CB ALA A 79 1.277 -2.868 -4.556 1.00 0.43 C ATOM 0 H ALA A 79 2.782 -1.916 -2.884 1.00 0.31 H new ATOM 0 HA ALA A 79 0.346 -3.320 -2.689 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.565 -3.454 -5.137 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.959 -1.825 -4.537 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.264 -2.938 -5.014 1.00 0.43 H new ATOM 1286 N ILE A 80 3.002 -5.125 -3.471 1.00 0.32 N ATOM 1287 CA ILE A 80 3.600 -6.460 -3.413 1.00 0.32 C ATOM 1288 C ILE A 80 3.448 -7.051 -2.014 1.00 0.28 C ATOM 1289 O ILE A 80 3.124 -8.228 -1.847 1.00 0.31 O ATOM 1290 CB ILE A 80 5.111 -6.400 -3.790 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.316 -6.368 -5.311 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.886 -7.566 -3.189 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.662 -5.198 -6.010 1.00 0.40 C ATOM 0 H ILE A 80 3.643 -4.402 -3.796 1.00 0.32 H new ATOM 0 HA ILE A 80 3.079 -7.095 -4.129 1.00 0.32 H new ATOM 0 HB ILE A 80 5.499 -5.472 -3.370 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.386 -6.347 -5.520 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.926 -7.293 -5.736 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.936 -7.490 -3.473 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.801 -7.538 -2.103 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.476 -8.505 -3.560 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.859 -5.257 -7.080 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.586 -5.226 -5.837 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.068 -4.266 -5.617 1.00 0.40 H new ATOM 1305 N ALA A 81 3.658 -6.212 -1.019 1.00 0.23 N ATOM 1306 CA ALA A 81 3.676 -6.643 0.364 1.00 0.23 C ATOM 1307 C ALA A 81 2.271 -6.892 0.921 1.00 0.23 C ATOM 1308 O ALA A 81 2.080 -7.776 1.749 1.00 0.28 O ATOM 1309 CB ALA A 81 4.424 -5.619 1.190 1.00 0.24 C ATOM 0 H ALA A 81 3.821 -5.213 -1.147 1.00 0.23 H new ATOM 0 HA ALA A 81 4.191 -7.602 0.417 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.442 -5.936 2.233 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.445 -5.529 0.820 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.924 -4.654 1.113 1.00 0.24 H new ATOM 1315 N LEU A 82 1.293 -6.118 0.464 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.098 -6.313 0.870 1.00 0.23 C ATOM 1317 C LEU A 82 -0.666 -7.548 0.190 1.00 0.24 C ATOM 1318 O LEU A 82 -1.493 -8.273 0.757 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.949 -5.093 0.520 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.605 -3.808 1.274 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.477 -2.670 0.787 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.777 -4.000 2.770 1.00 0.31 C ATOM 0 H LEU A 82 1.436 -5.348 -0.189 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.122 -6.448 1.951 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.855 -4.902 -0.549 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.995 -5.335 0.710 1.00 0.25 H new ATOM 0 HG LEU A 82 0.439 -3.562 1.079 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.224 -1.760 1.330 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.311 -2.515 -0.279 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.525 -2.916 0.959 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.527 -3.073 3.287 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.811 -4.268 2.986 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.117 -4.796 3.113 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.231 -7.771 -1.042 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.532 -9.007 -1.739 1.00 0.33 C ATOM 1336 C LYS A 83 0.088 -10.170 -0.986 1.00 0.31 C ATOM 1337 O LYS A 83 -0.583 -11.142 -0.681 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.001 -8.965 -3.172 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.982 -8.414 -4.194 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.392 -9.455 -5.224 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.407 -10.444 -4.669 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.815 -11.437 -5.696 1.00 1.67 N ATOM 0 H LYS A 83 0.332 -7.110 -1.577 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.614 -9.134 -1.783 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.904 -8.358 -3.193 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.285 -9.974 -3.469 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.870 -8.046 -3.680 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.532 -7.561 -4.702 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.814 -8.955 -6.096 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.508 -9.996 -5.563 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -1.980 -10.962 -3.810 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.285 -9.905 -4.313 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.843 -11.382 -5.843 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.326 -11.232 -6.591 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.561 -12.393 -5.375 1.00 1.67 H new ATOM 1356 N ALA A 84 1.363 -10.036 -0.662 1.00 0.31 N ATOM 1357 CA ALA A 84 2.081 -11.046 0.106 1.00 0.35 C ATOM 1358 C ALA A 84 1.492 -11.233 1.504 1.00 0.33 C ATOM 1359 O ALA A 84 1.706 -12.262 2.132 1.00 0.40 O ATOM 1360 CB ALA A 84 3.549 -10.677 0.205 1.00 0.48 C ATOM 0 H ALA A 84 1.930 -9.229 -0.921 1.00 0.31 H new ATOM 0 HA ALA A 84 1.976 -11.994 -0.422 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.077 -11.437 0.780 1.00 0.48 H new ATOM 0 HB2 ALA A 84 3.977 -10.616 -0.796 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.649 -9.712 0.701 1.00 0.48 H new ATOM 1366 N ALA A 85 0.781 -10.228 1.998 1.00 0.30 N ATOM 1367 CA ALA A 85 0.170 -10.303 3.319 1.00 0.38 C ATOM 1368 C ALA A 85 -1.096 -11.162 3.308 1.00 0.44 C ATOM 1369 O ALA A 85 -1.181 -12.153 4.024 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.140 -8.909 3.841 1.00 0.43 C ATOM 0 H ALA A 85 0.613 -9.351 1.504 1.00 0.30 H new ATOM 0 HA ALA A 85 0.887 -10.780 3.987 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.596 -8.983 4.828 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.783 -8.333 3.910 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.829 -8.410 3.160 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.078 -10.790 2.493 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.349 -11.512 2.468 1.00 0.59 C ATOM 1378 C HIS A 86 -3.239 -12.770 1.601 1.00 0.63 C ATOM 1379 O HIS A 86 -3.714 -13.840 1.963 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.481 -10.589 1.970 1.00 0.69 C ATOM 1381 CG HIS A 86 -4.573 -10.426 0.478 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -3.813 -9.521 -0.235 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -5.350 -11.062 -0.434 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -4.119 -9.609 -1.518 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -5.047 -10.535 -1.663 1.00 2.68 N ATOM 0 H HIS A 86 -2.022 -10.002 1.847 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.591 -11.827 3.483 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -5.431 -10.979 2.335 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.347 -9.604 2.418 1.00 0.69 H new ATOM 0 HD1 HIS A 86 -3.124 -8.884 0.165 1.00 2.06 H new ATOM 0 HD2 HIS A 86 -6.072 -11.838 -0.230 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -3.683 -9.022 -2.313 1.00 2.66 H new ATOM 1394 N TYR A 87 -2.577 -12.614 0.468 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.377 -13.677 -0.509 1.00 0.65 C ATOM 1396 C TYR A 87 -1.085 -14.421 -0.190 1.00 0.62 C ATOM 1397 O TYR A 87 -0.412 -14.919 -1.089 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.364 -13.117 -1.937 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.646 -14.153 -3.003 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.792 -14.937 -2.943 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -1.774 -14.345 -4.067 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -4.060 -15.881 -3.912 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -2.039 -15.287 -5.043 1.00 1.80 C ATOM 1404 CZ TYR A 87 -3.182 -16.052 -4.959 1.00 1.29 C ATOM 1405 OH TYR A 87 -3.454 -16.990 -5.929 1.00 1.52 O ATOM 0 H TYR A 87 -2.154 -11.728 0.193 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.209 -14.379 -0.449 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.105 -12.321 -2.012 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.391 -12.665 -2.131 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.484 -14.805 -2.124 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -0.876 -13.749 -4.133 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -4.954 -16.483 -3.850 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -1.354 -15.423 -5.867 1.00 1.80 H new ATOM 0 HH TYR A 87 -2.738 -16.986 -6.598 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.700 -14.330 1.090 1.00 0.59 N ATOM 1416 CA HIS A 88 0.551 -14.871 1.667 1.00 0.62 C ATOM 1417 C HIS A 88 0.922 -16.314 1.284 1.00 0.69 C ATOM 1418 O HIS A 88 1.707 -16.945 1.989 1.00 0.75 O ATOM 1419 CB HIS A 88 0.489 -14.779 3.199 1.00 0.65 C ATOM 1420 CG HIS A 88 -0.696 -15.466 3.820 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -1.690 -14.785 4.486 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -1.035 -16.776 3.888 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -2.586 -15.641 4.934 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -2.213 -16.856 4.585 1.00 3.26 N ATOM 0 H HIS A 88 -1.274 -13.857 1.788 1.00 0.59 H new ATOM 0 HA HIS A 88 1.333 -14.249 1.232 1.00 0.62 H new ATOM 0 HB2 HIS A 88 1.400 -15.210 3.613 1.00 0.65 H new ATOM 0 HB3 HIS A 88 0.475 -13.728 3.486 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -1.727 -13.774 4.613 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -0.480 -17.603 3.471 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -3.475 -15.390 5.493 1.00 3.25 H new ATOM 1433 N THR A 89 0.381 -16.846 0.210 1.00 0.73 N ATOM 1434 CA THR A 89 0.814 -18.141 -0.263 1.00 0.81 C ATOM 1435 C THR A 89 2.212 -17.997 -0.865 1.00 0.72 C ATOM 1436 O THR A 89 3.114 -18.769 -0.544 1.00 1.05 O ATOM 1437 CB THR A 89 -0.182 -18.750 -1.286 1.00 0.97 C ATOM 1438 OG1 THR A 89 0.371 -19.927 -1.888 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.561 -17.752 -2.373 1.00 0.89 C ATOM 0 H THR A 89 -0.352 -16.407 -0.347 1.00 0.73 H new ATOM 0 HA THR A 89 0.845 -18.834 0.578 1.00 0.81 H new ATOM 0 HB THR A 89 -1.085 -19.012 -0.736 1.00 0.97 H new ATOM 0 HG1 THR A 89 -0.270 -20.299 -2.529 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.259 -18.219 -3.068 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.030 -16.879 -1.918 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.335 -17.443 -2.912 1.00 0.89 H new ATOM 1447 N HIS A 90 2.388 -16.951 -1.679 1.00 0.65 N ATOM 1448 CA HIS A 90 3.675 -16.610 -2.299 1.00 0.64 C ATOM 1449 C HIS A 90 3.604 -15.210 -2.900 1.00 0.93 C ATOM 1450 O HIS A 90 4.575 -14.448 -2.860 1.00 1.77 O ATOM 1451 CB HIS A 90 4.066 -17.573 -3.440 1.00 0.91 C ATOM 1452 CG HIS A 90 4.463 -18.961 -3.025 1.00 1.72 C ATOM 1453 ND1 HIS A 90 5.660 -19.260 -2.407 1.00 2.44 N ATOM 1454 CD2 HIS A 90 3.804 -20.139 -3.148 1.00 2.68 C ATOM 1455 CE1 HIS A 90 5.718 -20.558 -2.171 1.00 3.33 C ATOM 1456 NE2 HIS A 90 4.607 -21.113 -2.610 1.00 3.47 N ATOM 0 H HIS A 90 1.635 -16.310 -1.929 1.00 0.65 H new ATOM 0 HA HIS A 90 4.421 -16.679 -1.507 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.225 -17.648 -4.129 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.894 -17.130 -3.994 1.00 0.91 H new ATOM 0 HD2 HIS A 90 2.828 -20.284 -3.588 1.00 2.68 H new ATOM 0 HE1 HIS A 90 6.538 -21.077 -1.698 1.00 3.33 H new ATOM 0 HE2 HIS A 90 4.380 -22.106 -2.558 1.00 3.47 H new ATOM 1465 N LYS A 91 2.437 -14.909 -3.483 1.00 0.91 N ATOM 1466 CA LYS A 91 2.224 -13.734 -4.336 1.00 1.63 C ATOM 1467 C LYS A 91 2.923 -13.955 -5.669 1.00 2.59 C ATOM 1468 O LYS A 91 2.315 -13.857 -6.733 1.00 3.47 O ATOM 1469 CB LYS A 91 2.722 -12.427 -3.696 1.00 1.09 C ATOM 1470 CG LYS A 91 2.628 -11.234 -4.641 1.00 1.28 C ATOM 1471 CD LYS A 91 3.752 -10.222 -4.440 1.00 0.87 C ATOM 1472 CE LYS A 91 5.073 -10.694 -5.042 1.00 0.78 C ATOM 1473 NZ LYS A 91 5.695 -11.822 -4.294 1.00 1.28 N ATOM 0 H LYS A 91 1.602 -15.484 -3.373 1.00 0.91 H new ATOM 0 HA LYS A 91 1.149 -13.623 -4.476 1.00 1.63 H new ATOM 0 HB2 LYS A 91 2.138 -12.221 -2.799 1.00 1.09 H new ATOM 0 HB3 LYS A 91 3.757 -12.554 -3.380 1.00 1.09 H new ATOM 0 HG2 LYS A 91 2.648 -11.591 -5.671 1.00 1.28 H new ATOM 0 HG3 LYS A 91 1.669 -10.737 -4.495 1.00 1.28 H new ATOM 0 HD2 LYS A 91 3.468 -9.272 -4.893 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.886 -10.039 -3.374 1.00 0.87 H new ATOM 0 HE2 LYS A 91 4.904 -11.002 -6.074 1.00 0.78 H new ATOM 0 HE3 LYS A 91 5.771 -9.857 -5.069 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 6.714 -11.853 -4.497 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 5.550 -11.684 -3.274 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 5.256 -12.718 -4.588 1.00 1.28 H new ATOM 1487 N GLU A 92 4.198 -14.292 -5.573 1.00 2.69 N ATOM 1488 CA GLU A 92 5.054 -14.533 -6.726 1.00 3.81 C ATOM 1489 C GLU A 92 6.467 -14.793 -6.236 1.00 4.36 C ATOM 1490 O GLU A 92 7.223 -13.816 -6.052 1.00 4.92 O ATOM 1491 CB GLU A 92 5.045 -13.343 -7.696 1.00 4.66 C ATOM 1492 CG GLU A 92 5.827 -13.590 -8.979 1.00 5.75 C ATOM 1493 CD GLU A 92 5.330 -14.802 -9.740 1.00 6.58 C ATOM 1494 OE1 GLU A 92 4.333 -14.678 -10.479 1.00 7.00 O ATOM 1495 OE2 GLU A 92 5.933 -15.886 -9.601 1.00 7.09 O ATOM 1496 OXT GLU A 92 6.801 -15.966 -5.995 1.00 4.64 O ATOM 0 H GLU A 92 4.676 -14.408 -4.680 1.00 2.69 H new ATOM 0 HA GLU A 92 4.675 -15.399 -7.269 1.00 3.81 H new ATOM 0 HB2 GLU A 92 4.013 -13.102 -7.951 1.00 4.66 H new ATOM 0 HB3 GLU A 92 5.460 -12.471 -7.191 1.00 4.66 H new ATOM 0 HG2 GLU A 92 5.756 -12.710 -9.618 1.00 5.75 H new ATOM 0 HG3 GLU A 92 6.881 -13.725 -8.737 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 13.796 -0.605 15.185 1.00 4.70 N ATOM 1505 CA MET B 1 12.687 -1.006 14.293 1.00 4.22 C ATOM 1506 C MET B 1 12.263 -2.439 14.575 1.00 3.60 C ATOM 1507 O MET B 1 13.072 -3.361 14.497 1.00 4.04 O ATOM 1508 CB MET B 1 13.099 -0.864 12.829 1.00 4.51 C ATOM 1509 CG MET B 1 13.325 0.575 12.399 1.00 5.00 C ATOM 1510 SD MET B 1 11.868 1.608 12.649 1.00 5.79 S ATOM 1511 CE MET B 1 10.673 0.768 11.610 1.00 6.42 C ATOM 0 H1 MET B 1 14.003 0.405 15.049 1.00 4.70 H new ATOM 0 H2 MET B 1 13.523 -0.772 16.175 1.00 4.70 H new ATOM 0 H3 MET B 1 14.643 -1.166 14.960 1.00 4.70 H new ATOM 0 HA MET B 1 11.841 -0.346 14.487 1.00 4.22 H new ATOM 0 HB2 MET B 1 14.013 -1.433 12.661 1.00 4.51 H new ATOM 0 HB3 MET B 1 12.328 -1.306 12.198 1.00 4.51 H new ATOM 0 HG2 MET B 1 14.162 0.991 12.960 1.00 5.00 H new ATOM 0 HG3 MET B 1 13.605 0.596 11.346 1.00 5.00 H new ATOM 0 HE1 MET B 1 9.784 1.389 11.503 1.00 6.42 H new ATOM 0 HE2 MET B 1 11.109 0.586 10.628 1.00 6.42 H new ATOM 0 HE3 MET B 1 10.398 -0.183 12.067 1.00 6.42 H new ATOM 1523 N THR B 2 10.996 -2.617 14.923 1.00 3.07 N ATOM 1524 CA THR B 2 10.455 -3.938 15.190 1.00 2.91 C ATOM 1525 C THR B 2 8.938 -3.940 14.970 1.00 2.45 C ATOM 1526 O THR B 2 8.157 -4.377 15.816 1.00 3.04 O ATOM 1527 CB THR B 2 10.812 -4.411 16.624 1.00 3.67 C ATOM 1528 OG1 THR B 2 10.249 -5.704 16.883 1.00 4.26 O ATOM 1529 CG2 THR B 2 10.333 -3.415 17.674 1.00 4.23 C ATOM 0 H THR B 2 10.323 -1.858 15.027 1.00 3.07 H new ATOM 0 HA THR B 2 10.907 -4.643 14.493 1.00 2.91 H new ATOM 0 HB THR B 2 11.898 -4.476 16.688 1.00 3.67 H new ATOM 0 HG1 THR B 2 9.290 -5.690 16.680 1.00 4.26 H new ATOM 0 HG21 THR B 2 10.599 -3.777 18.667 1.00 4.23 H new ATOM 0 HG22 THR B 2 10.806 -2.448 17.501 1.00 4.23 H new ATOM 0 HG23 THR B 2 9.251 -3.306 17.606 1.00 4.23 H new ATOM 1537 N LYS B 3 8.533 -3.454 13.806 1.00 2.16 N ATOM 1538 CA LYS B 3 7.119 -3.337 13.470 1.00 2.53 C ATOM 1539 C LYS B 3 6.770 -4.276 12.324 1.00 2.08 C ATOM 1540 O LYS B 3 5.785 -4.065 11.609 1.00 2.81 O ATOM 1541 CB LYS B 3 6.757 -1.890 13.133 1.00 3.53 C ATOM 1542 CG LYS B 3 7.008 -0.935 14.289 1.00 4.29 C ATOM 1543 CD LYS B 3 6.375 0.428 14.059 1.00 5.37 C ATOM 1544 CE LYS B 3 4.857 0.343 14.008 1.00 5.97 C ATOM 1545 NZ LYS B 3 4.280 -0.230 15.256 1.00 6.04 N ATOM 0 H LYS B 3 9.166 -3.132 13.074 1.00 2.16 H new ATOM 0 HA LYS B 3 6.530 -3.629 14.339 1.00 2.53 H new ATOM 0 HB2 LYS B 3 7.337 -1.567 12.269 1.00 3.53 H new ATOM 0 HB3 LYS B 3 5.706 -1.840 12.848 1.00 3.53 H new ATOM 0 HG2 LYS B 3 6.611 -1.367 15.207 1.00 4.29 H new ATOM 0 HG3 LYS B 3 8.082 -0.815 14.432 1.00 4.29 H new ATOM 0 HD2 LYS B 3 6.675 1.108 14.857 1.00 5.37 H new ATOM 0 HD3 LYS B 3 6.747 0.849 13.125 1.00 5.37 H new ATOM 0 HE2 LYS B 3 4.445 1.339 13.844 1.00 5.97 H new ATOM 0 HE3 LYS B 3 4.558 -0.270 13.158 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 3.262 -0.394 15.124 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 4.751 -1.131 15.474 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 4.424 0.435 16.042 1.00 6.04 H new ATOM 1559 N LEU B 4 7.636 -5.275 12.150 1.00 1.61 N ATOM 1560 CA LEU B 4 7.537 -6.288 11.093 1.00 1.98 C ATOM 1561 C LEU B 4 6.099 -6.605 10.688 1.00 1.51 C ATOM 1562 O LEU B 4 5.313 -7.103 11.494 1.00 2.03 O ATOM 1563 CB LEU B 4 8.224 -7.587 11.538 1.00 3.02 C ATOM 1564 CG LEU B 4 9.758 -7.572 11.555 1.00 3.80 C ATOM 1565 CD1 LEU B 4 10.299 -6.688 12.668 1.00 4.50 C ATOM 1566 CD2 LEU B 4 10.295 -8.985 11.695 1.00 4.44 C ATOM 0 H LEU B 4 8.447 -5.407 12.754 1.00 1.61 H new ATOM 0 HA LEU B 4 8.036 -5.863 10.222 1.00 1.98 H new ATOM 0 HB2 LEU B 4 7.873 -7.834 12.540 1.00 3.02 H new ATOM 0 HB3 LEU B 4 7.897 -8.391 10.878 1.00 3.02 H new ATOM 0 HG LEU B 4 10.097 -7.153 10.607 1.00 3.80 H new ATOM 0 HD11 LEU B 4 11.389 -6.703 12.648 1.00 4.50 H new ATOM 0 HD12 LEU B 4 9.948 -5.666 12.524 1.00 4.50 H new ATOM 0 HD13 LEU B 4 9.949 -7.060 13.631 1.00 4.50 H new ATOM 0 HD21 LEU B 4 11.385 -8.961 11.706 1.00 4.44 H new ATOM 0 HD22 LEU B 4 9.933 -9.421 12.626 1.00 4.44 H new ATOM 0 HD23 LEU B 4 9.954 -9.589 10.854 1.00 4.44 H new ATOM 1578 N GLU B 5 5.789 -6.282 9.426 1.00 1.20 N ATOM 1579 CA GLU B 5 4.508 -6.589 8.755 1.00 0.94 C ATOM 1580 C GLU B 5 3.258 -6.198 9.554 1.00 0.69 C ATOM 1581 O GLU B 5 2.148 -6.598 9.196 1.00 0.69 O ATOM 1582 CB GLU B 5 4.433 -8.067 8.339 1.00 1.39 C ATOM 1583 CG GLU B 5 4.440 -9.061 9.489 1.00 1.80 C ATOM 1584 CD GLU B 5 4.447 -10.495 9.014 1.00 2.48 C ATOM 1585 OE1 GLU B 5 5.524 -10.990 8.621 1.00 3.10 O ATOM 1586 OE2 GLU B 5 3.379 -11.141 9.048 1.00 3.00 O ATOM 0 H GLU B 5 6.440 -5.784 8.820 1.00 1.20 H new ATOM 0 HA GLU B 5 4.504 -5.959 7.866 1.00 0.94 H new ATOM 0 HB2 GLU B 5 3.526 -8.218 7.754 1.00 1.39 H new ATOM 0 HB3 GLU B 5 5.276 -8.287 7.684 1.00 1.39 H new ATOM 0 HG2 GLU B 5 5.316 -8.884 10.113 1.00 1.80 H new ATOM 0 HG3 GLU B 5 3.564 -8.893 10.115 1.00 1.80 H new ATOM 1593 N GLU B 6 3.420 -5.392 10.593 1.00 0.68 N ATOM 1594 CA GLU B 6 2.285 -4.924 11.377 1.00 0.67 C ATOM 1595 C GLU B 6 1.404 -4.026 10.521 1.00 0.54 C ATOM 1596 O GLU B 6 0.177 -4.046 10.621 1.00 0.60 O ATOM 1597 CB GLU B 6 2.778 -4.176 12.625 1.00 0.78 C ATOM 1598 CG GLU B 6 1.669 -3.602 13.496 1.00 1.06 C ATOM 1599 CD GLU B 6 1.536 -2.096 13.365 1.00 1.78 C ATOM 1600 OE1 GLU B 6 0.867 -1.629 12.421 1.00 2.51 O ATOM 1601 OE2 GLU B 6 2.100 -1.369 14.209 1.00 2.48 O ATOM 0 H GLU B 6 4.325 -5.048 10.913 1.00 0.68 H new ATOM 0 HA GLU B 6 1.695 -5.780 11.704 1.00 0.67 H new ATOM 0 HB2 GLU B 6 3.380 -4.857 13.227 1.00 0.78 H new ATOM 0 HB3 GLU B 6 3.433 -3.364 12.311 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.722 -4.070 13.226 1.00 1.06 H new ATOM 0 HG3 GLU B 6 1.864 -3.855 14.538 1.00 1.06 H new ATOM 1608 N HIS B 7 2.042 -3.274 9.640 1.00 0.42 N ATOM 1609 CA HIS B 7 1.339 -2.316 8.814 1.00 0.38 C ATOM 1610 C HIS B 7 0.724 -2.976 7.592 1.00 0.35 C ATOM 1611 O HIS B 7 -0.399 -2.649 7.223 1.00 0.39 O ATOM 1612 CB HIS B 7 2.262 -1.167 8.416 1.00 0.43 C ATOM 1613 CG HIS B 7 2.416 -0.155 9.507 1.00 0.95 C ATOM 1614 ND1 HIS B 7 1.807 1.076 9.473 1.00 1.73 N ATOM 1615 CD2 HIS B 7 3.063 -0.220 10.693 1.00 1.60 C ATOM 1616 CE1 HIS B 7 2.062 1.719 10.596 1.00 2.16 C ATOM 1617 NE2 HIS B 7 2.824 0.959 11.353 1.00 2.03 N ATOM 0 H HIS B 7 3.049 -3.311 9.481 1.00 0.42 H new ATOM 0 HA HIS B 7 0.520 -1.905 9.405 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.242 -1.566 8.153 1.00 0.43 H new ATOM 0 HB3 HIS B 7 1.867 -0.679 7.525 1.00 0.43 H new ATOM 0 HD1 HIS B 7 1.246 1.436 8.701 1.00 1.73 H new ATOM 0 HD2 HIS B 7 3.657 -1.046 11.054 1.00 1.60 H new ATOM 0 HE1 HIS B 7 1.705 2.706 10.852 1.00 2.16 H new ATOM 1626 N LEU B 8 1.447 -3.909 6.985 1.00 0.34 N ATOM 1627 CA LEU B 8 0.937 -4.644 5.827 1.00 0.33 C ATOM 1628 C LEU B 8 -0.285 -5.456 6.210 1.00 0.34 C ATOM 1629 O LEU B 8 -1.385 -5.232 5.704 1.00 0.34 O ATOM 1630 CB LEU B 8 2.000 -5.597 5.307 1.00 0.33 C ATOM 1631 CG LEU B 8 3.322 -4.941 4.922 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.292 -5.983 4.421 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.102 -3.856 3.878 1.00 0.33 C ATOM 0 H LEU B 8 2.388 -4.177 7.273 1.00 0.34 H new ATOM 0 HA LEU B 8 0.671 -3.919 5.057 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.195 -6.351 6.070 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.604 -6.119 4.436 1.00 0.33 H new ATOM 0 HG LEU B 8 3.748 -4.470 5.808 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.232 -5.504 4.149 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.473 -6.718 5.205 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.872 -6.481 3.547 1.00 0.33 H new ATOM 0 HD21 LEU B 8 4.058 -3.402 3.618 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.654 -4.295 2.986 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.435 -3.093 4.281 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.083 -6.374 7.142 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.133 -7.276 7.568 1.00 0.40 C ATOM 1647 C GLU B 9 -2.216 -6.498 8.305 1.00 0.40 C ATOM 1648 O GLU B 9 -3.378 -6.901 8.340 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.539 -8.371 8.453 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.503 -9.496 8.775 1.00 1.24 C ATOM 1651 CD GLU B 9 -0.853 -10.600 9.581 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -0.618 -10.398 10.791 1.00 2.41 O ATOM 1653 OE2 GLU B 9 -0.572 -11.675 9.010 1.00 2.16 O ATOM 0 H GLU B 9 0.808 -6.512 7.619 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.589 -7.748 6.698 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.338 -8.788 7.957 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.195 -7.923 9.385 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.352 -9.096 9.330 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.896 -9.911 7.847 1.00 1.24 H new ATOM 1660 N GLY B 10 -1.822 -5.367 8.875 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.765 -4.502 9.546 1.00 0.43 C ATOM 1662 C GLY B 10 -3.702 -3.802 8.584 1.00 0.39 C ATOM 1663 O GLY B 10 -4.891 -3.701 8.853 1.00 0.44 O ATOM 0 H GLY B 10 -0.858 -5.034 8.883 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.350 -5.089 10.254 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.220 -3.756 10.124 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.180 -3.312 7.461 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.032 -2.698 6.445 1.00 0.33 C ATOM 1669 C ILE B 11 -4.971 -3.748 5.874 1.00 0.33 C ATOM 1670 O ILE B 11 -6.157 -3.495 5.650 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.214 -2.051 5.300 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.426 -0.852 5.827 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.124 -1.626 4.156 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.590 -0.162 4.772 1.00 1.16 C ATOM 0 H ILE B 11 -2.186 -3.327 7.233 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.599 -1.902 6.927 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.513 -2.793 4.918 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.122 -0.131 6.255 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.774 -1.184 6.635 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.526 -1.174 3.364 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.647 -2.498 3.764 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.851 -0.901 4.520 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.060 0.678 5.220 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.869 -0.868 4.360 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.238 0.201 3.975 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.428 -4.937 5.673 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.212 -6.082 5.243 1.00 0.38 C ATOM 1688 C VAL B 12 -6.310 -6.391 6.265 1.00 0.40 C ATOM 1689 O VAL B 12 -7.433 -6.748 5.903 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.295 -7.306 5.034 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.094 -8.568 4.768 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.340 -7.040 3.884 1.00 0.48 C ATOM 0 H VAL B 12 -3.436 -5.135 5.803 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.690 -5.845 4.293 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.729 -7.463 5.952 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.413 -9.407 4.626 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.747 -8.771 5.617 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.697 -8.434 3.870 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.694 -7.906 3.739 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.910 -6.856 2.973 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.729 -6.166 4.113 1.00 0.48 H new ATOM 1702 N ASN B 13 -5.981 -6.221 7.541 1.00 0.42 N ATOM 1703 CA ASN B 13 -6.942 -6.414 8.623 1.00 0.49 C ATOM 1704 C ASN B 13 -8.001 -5.315 8.605 1.00 0.48 C ATOM 1705 O ASN B 13 -9.184 -5.582 8.797 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.223 -6.433 9.977 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.161 -6.726 11.132 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -7.406 -7.885 11.463 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.674 -5.684 11.768 1.00 1.42 N ATOM 0 H ASN B 13 -5.049 -5.948 7.854 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.437 -7.374 8.474 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.434 -7.185 9.955 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.740 -5.470 10.141 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.297 -5.828 12.563 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.447 -4.738 11.463 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.565 -4.081 8.373 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.475 -2.942 8.264 1.00 0.57 C ATOM 1718 C ILE B 14 -9.467 -3.164 7.122 1.00 0.53 C ATOM 1719 O ILE B 14 -10.673 -2.924 7.274 1.00 0.61 O ATOM 1720 CB ILE B 14 -7.696 -1.607 8.066 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.439 -0.921 9.413 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.431 -0.653 7.133 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -6.645 -1.749 10.395 1.00 2.06 C ATOM 0 H ILE B 14 -6.580 -3.842 8.256 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.029 -2.863 9.199 1.00 0.57 H new ATOM 0 HB ILE B 14 -6.741 -1.861 7.605 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.910 0.015 9.235 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.397 -0.664 9.865 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.854 0.265 7.023 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -8.556 -1.123 6.157 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.410 -0.418 7.551 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -6.510 -1.187 11.319 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -7.181 -2.674 10.608 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -5.670 -1.984 9.968 1.00 2.06 H new ATOM 1735 N PHE B 15 -8.964 -3.650 5.990 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.828 -3.974 4.871 1.00 0.59 C ATOM 1737 C PHE B 15 -10.785 -5.086 5.271 1.00 0.61 C ATOM 1738 O PHE B 15 -11.958 -5.033 4.944 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.022 -4.383 3.638 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.876 -4.585 2.414 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -10.548 -3.519 1.839 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -10.012 -5.840 1.844 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -11.335 -3.698 0.716 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -10.797 -6.027 0.723 1.00 2.54 C ATOM 1745 CZ PHE B 15 -11.460 -4.955 0.158 1.00 2.58 C ATOM 0 H PHE B 15 -7.972 -3.825 5.829 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.396 -3.082 4.609 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.274 -3.618 3.430 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.483 -5.305 3.854 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.456 -2.535 2.274 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -9.498 -6.683 2.282 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -11.851 -2.857 0.277 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -10.892 -7.011 0.288 1.00 2.54 H new ATOM 0 HZ PHE B 15 -12.075 -5.100 -0.718 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.279 -6.074 6.006 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.118 -7.160 6.513 1.00 0.72 C ATOM 1757 C HIS B 16 -12.245 -6.617 7.386 1.00 0.75 C ATOM 1758 O HIS B 16 -13.367 -7.121 7.349 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.291 -8.170 7.319 1.00 0.77 C ATOM 1760 CG HIS B 16 -9.520 -9.140 6.477 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -9.830 -9.732 5.302 1.00 1.82 N flip ATOM 1762 CD2 HIS B 16 -8.283 -9.636 6.836 1.00 1.85 C flip ATOM 1763 CE1 HIS B 16 -8.789 -10.564 4.976 1.00 2.22 C flip ATOM 1764 NE2 HIS B 16 -7.870 -10.487 5.918 1.00 2.23 N flip ATOM 0 H HIS B 16 -9.295 -6.146 6.264 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.548 -7.666 5.649 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.595 -7.626 7.957 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -10.958 -8.727 7.977 1.00 0.77 H new ATOM 0 HD1 HIS B 16 -10.681 -9.587 4.758 1.00 1.82 H new ATOM 0 HD2 HIS B 16 -7.738 -9.369 7.730 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -8.732 -11.181 4.092 1.00 2.22 H new ATOM 1773 N GLN B 17 -11.941 -5.587 8.166 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.924 -4.978 9.052 1.00 0.82 C ATOM 1775 C GLN B 17 -14.143 -4.489 8.276 1.00 0.93 C ATOM 1776 O GLN B 17 -15.278 -4.824 8.618 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.302 -3.815 9.829 1.00 0.85 C ATOM 1778 CG GLN B 17 -11.215 -4.239 10.803 1.00 1.27 C ATOM 1779 CD GLN B 17 -11.740 -5.122 11.919 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -11.759 -6.347 11.806 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -12.173 -4.503 13.006 1.00 2.77 N ATOM 0 H GLN B 17 -11.018 -5.155 8.203 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.250 -5.743 9.756 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.883 -3.100 9.121 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -13.087 -3.296 10.379 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -10.435 -4.772 10.260 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -10.753 -3.351 11.235 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -12.140 -3.485 13.060 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -12.539 -5.044 13.789 1.00 2.77 H new ATOM 1790 N TYR B 18 -13.918 -3.702 7.231 1.00 0.85 N ATOM 1791 CA TYR B 18 -15.025 -3.161 6.456 1.00 1.08 C ATOM 1792 C TYR B 18 -15.458 -4.101 5.332 1.00 1.34 C ATOM 1793 O TYR B 18 -16.612 -4.065 4.899 1.00 1.77 O ATOM 1794 CB TYR B 18 -14.656 -1.782 5.913 1.00 1.22 C ATOM 1795 CG TYR B 18 -14.523 -0.756 7.013 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -15.634 -0.060 7.463 1.00 3.25 C ATOM 1797 CD2 TYR B 18 -13.298 -0.505 7.623 1.00 3.14 C ATOM 1798 CE1 TYR B 18 -15.532 0.858 8.487 1.00 4.48 C ATOM 1799 CE2 TYR B 18 -13.188 0.418 8.646 1.00 4.38 C ATOM 1800 CZ TYR B 18 -14.309 1.096 9.075 1.00 4.93 C ATOM 1801 OH TYR B 18 -14.217 2.005 10.107 1.00 6.25 O ATOM 0 H TYR B 18 -12.991 -3.427 6.905 1.00 0.85 H new ATOM 0 HA TYR B 18 -15.882 -3.061 7.122 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -13.717 -1.848 5.364 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -15.417 -1.456 5.204 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -16.595 -0.240 7.004 1.00 3.25 H new ATOM 0 HD2 TYR B 18 -12.420 -1.039 7.292 1.00 3.14 H new ATOM 0 HE1 TYR B 18 -16.409 1.389 8.827 1.00 4.48 H new ATOM 0 HE2 TYR B 18 -12.230 0.607 9.106 1.00 4.38 H new ATOM 0 HH TYR B 18 -13.384 2.514 10.021 1.00 6.25 H new ATOM 1811 N SER B 19 -14.555 -4.961 4.891 1.00 1.32 N ATOM 1812 CA SER B 19 -14.840 -5.879 3.799 1.00 1.78 C ATOM 1813 C SER B 19 -14.342 -7.291 4.110 1.00 1.86 C ATOM 1814 O SER B 19 -13.154 -7.495 4.348 1.00 2.32 O ATOM 1815 CB SER B 19 -14.186 -5.373 2.512 1.00 2.38 C ATOM 1816 OG SER B 19 -14.668 -4.087 2.166 1.00 3.02 O ATOM 0 H SER B 19 -13.613 -5.043 5.274 1.00 1.32 H new ATOM 0 HA SER B 19 -15.922 -5.923 3.671 1.00 1.78 H new ATOM 0 HB2 SER B 19 -13.104 -5.337 2.640 1.00 2.38 H new ATOM 0 HB3 SER B 19 -14.388 -6.071 1.699 1.00 2.38 H new ATOM 0 HG SER B 19 -15.186 -4.144 1.336 1.00 3.02 H new ATOM 1822 N VAL B 20 -15.276 -8.248 4.105 1.00 2.11 N ATOM 1823 CA VAL B 20 -14.990 -9.682 4.288 1.00 2.49 C ATOM 1824 C VAL B 20 -13.939 -9.975 5.362 1.00 2.64 C ATOM 1825 O VAL B 20 -12.778 -10.252 5.061 1.00 3.25 O ATOM 1826 CB VAL B 20 -14.594 -10.390 2.962 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -15.796 -10.493 2.049 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -13.451 -9.684 2.238 1.00 4.12 C ATOM 0 H VAL B 20 -16.268 -8.049 3.972 1.00 2.11 H new ATOM 0 HA VAL B 20 -15.936 -10.095 4.637 1.00 2.49 H new ATOM 0 HB VAL B 20 -14.242 -11.387 3.226 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -15.508 -10.990 1.123 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -16.579 -11.069 2.542 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -16.168 -9.494 1.823 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -13.216 -10.221 1.319 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -13.749 -8.664 1.996 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -12.571 -9.663 2.881 1.00 4.12 H new ATOM 1838 N ARG B 21 -14.355 -9.950 6.619 1.00 2.81 N ATOM 1839 CA ARG B 21 -13.462 -10.314 7.711 1.00 3.56 C ATOM 1840 C ARG B 21 -13.374 -11.830 7.831 1.00 3.97 C ATOM 1841 O ARG B 21 -12.446 -12.364 8.437 1.00 4.56 O ATOM 1842 CB ARG B 21 -13.916 -9.689 9.035 1.00 4.19 C ATOM 1843 CG ARG B 21 -15.319 -10.081 9.468 1.00 4.83 C ATOM 1844 CD ARG B 21 -15.731 -9.338 10.728 1.00 5.37 C ATOM 1845 NE ARG B 21 -15.741 -7.886 10.531 1.00 5.88 N ATOM 1846 CZ ARG B 21 -15.526 -6.996 11.504 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -15.282 -7.404 12.742 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -15.559 -5.699 11.240 1.00 7.28 N ATOM 0 H ARG B 21 -15.296 -9.684 6.908 1.00 2.81 H new ATOM 0 HA ARG B 21 -12.471 -9.921 7.486 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -13.214 -9.977 9.818 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -13.867 -8.604 8.946 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -16.025 -9.863 8.666 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -15.361 -11.156 9.646 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -16.723 -9.669 11.036 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -15.046 -9.589 11.537 1.00 5.37 H new ATOM 0 HE ARG B 21 -15.924 -7.532 9.592 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -15.258 -8.401 12.955 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -15.118 -6.721 13.481 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -15.749 -5.376 10.291 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -15.394 -5.022 11.985 1.00 7.28 H new ATOM 1862 N LYS B 22 -14.345 -12.513 7.241 1.00 4.14 N ATOM 1863 CA LYS B 22 -14.347 -13.966 7.200 1.00 4.91 C ATOM 1864 C LYS B 22 -15.108 -14.461 5.974 1.00 5.05 C ATOM 1865 O LYS B 22 -14.592 -15.255 5.191 1.00 5.59 O ATOM 1866 CB LYS B 22 -14.964 -14.546 8.480 1.00 5.69 C ATOM 1867 CG LYS B 22 -14.953 -16.068 8.529 1.00 6.45 C ATOM 1868 CD LYS B 22 -13.539 -16.625 8.435 1.00 7.33 C ATOM 1869 CE LYS B 22 -13.536 -18.144 8.457 1.00 8.20 C ATOM 1870 NZ LYS B 22 -12.166 -18.698 8.301 1.00 8.71 N ATOM 0 H LYS B 22 -15.146 -12.079 6.782 1.00 4.14 H new ATOM 0 HA LYS B 22 -13.314 -14.307 7.133 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -14.421 -14.160 9.342 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -15.992 -14.196 8.568 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -15.416 -16.405 9.456 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -15.555 -16.463 7.710 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -13.068 -16.273 7.517 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -12.942 -16.247 9.265 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -13.964 -18.494 9.396 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -14.173 -18.520 7.656 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -12.207 -19.737 8.321 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -11.766 -18.385 7.393 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -11.564 -18.360 9.079 1.00 8.71 H new ATOM 1884 N GLY B 23 -16.331 -13.980 5.805 1.00 4.89 N ATOM 1885 CA GLY B 23 -17.136 -14.396 4.675 1.00 5.27 C ATOM 1886 C GLY B 23 -18.256 -13.424 4.376 1.00 5.26 C ATOM 1887 O GLY B 23 -19.143 -13.216 5.205 1.00 5.68 O ATOM 0 H GLY B 23 -16.780 -13.310 6.429 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -16.500 -14.494 3.796 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -17.557 -15.381 4.875 1.00 5.27 H new ATOM 1891 N HIS B 24 -18.209 -12.822 3.197 1.00 5.16 N ATOM 1892 CA HIS B 24 -19.233 -11.876 2.769 1.00 5.45 C ATOM 1893 C HIS B 24 -19.163 -11.706 1.255 1.00 5.00 C ATOM 1894 O HIS B 24 -18.664 -10.697 0.756 1.00 5.43 O ATOM 1895 CB HIS B 24 -19.049 -10.526 3.479 1.00 6.30 C ATOM 1896 CG HIS B 24 -20.195 -9.576 3.294 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -20.029 -8.260 2.922 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -21.528 -9.751 3.459 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -21.208 -7.668 2.868 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -22.133 -8.551 3.188 1.00 8.17 N ATOM 0 H HIS B 24 -17.467 -12.973 2.514 1.00 5.16 H new ATOM 0 HA HIS B 24 -20.216 -12.263 3.038 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -18.907 -10.704 4.545 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -18.138 -10.055 3.111 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -22.022 -10.666 3.750 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -21.385 -6.635 2.606 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -23.136 -8.371 3.228 1.00 8.17 H new ATOM 1909 N PHE B 25 -19.663 -12.715 0.541 1.00 4.49 N ATOM 1910 CA PHE B 25 -19.598 -12.778 -0.924 1.00 4.32 C ATOM 1911 C PHE B 25 -18.161 -13.015 -1.384 1.00 3.72 C ATOM 1912 O PHE B 25 -17.775 -14.148 -1.674 1.00 3.96 O ATOM 1913 CB PHE B 25 -20.164 -11.508 -1.580 1.00 4.90 C ATOM 1914 CG PHE B 25 -21.612 -11.249 -1.274 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -22.610 -11.898 -1.980 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -21.976 -10.350 -0.283 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -23.942 -11.657 -1.706 1.00 7.09 C ATOM 1918 CE2 PHE B 25 -23.305 -10.106 -0.003 1.00 7.10 C ATOM 1919 CZ PHE B 25 -24.290 -10.760 -0.716 1.00 7.50 C ATOM 0 H PHE B 25 -20.128 -13.518 0.964 1.00 4.49 H new ATOM 0 HA PHE B 25 -20.218 -13.616 -1.241 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -19.576 -10.651 -1.252 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -20.041 -11.585 -2.660 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -22.344 -12.602 -2.755 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -21.210 -9.834 0.277 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -24.710 -12.170 -2.266 1.00 7.09 H new ATOM 0 HE2 PHE B 25 -23.574 -9.404 0.773 1.00 7.10 H new ATOM 0 HZ PHE B 25 -25.331 -10.570 -0.500 1.00 7.50 H new ATOM 1929 N ASP B 26 -17.376 -11.943 -1.405 1.00 3.50 N ATOM 1930 CA ASP B 26 -15.975 -11.995 -1.816 1.00 3.49 C ATOM 1931 C ASP B 26 -15.353 -10.622 -1.647 1.00 3.06 C ATOM 1932 O ASP B 26 -14.554 -10.394 -0.746 1.00 3.62 O ATOM 1933 CB ASP B 26 -15.837 -12.437 -3.277 1.00 4.40 C ATOM 1934 CG ASP B 26 -14.388 -12.551 -3.712 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -13.771 -11.518 -4.049 1.00 5.49 O ATOM 1936 OD2 ASP B 26 -13.860 -13.681 -3.725 1.00 5.62 O ATOM 0 H ASP B 26 -17.693 -11.011 -1.137 1.00 3.50 H new ATOM 0 HA ASP B 26 -15.462 -12.724 -1.189 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -16.331 -13.400 -3.411 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -16.352 -11.723 -3.920 1.00 4.40 H new ATOM 1941 N THR B 27 -15.745 -9.717 -2.527 1.00 2.56 N ATOM 1942 CA THR B 27 -15.328 -8.325 -2.486 1.00 2.53 C ATOM 1943 C THR B 27 -16.410 -7.484 -3.147 1.00 1.72 C ATOM 1944 O THR B 27 -16.816 -7.770 -4.278 1.00 2.30 O ATOM 1945 CB THR B 27 -13.982 -8.114 -3.209 1.00 3.34 C ATOM 1946 OG1 THR B 27 -13.948 -8.886 -4.416 1.00 3.84 O ATOM 1947 CG2 THR B 27 -12.811 -8.499 -2.316 1.00 3.95 C ATOM 0 H THR B 27 -16.372 -9.932 -3.303 1.00 2.56 H new ATOM 0 HA THR B 27 -15.188 -8.026 -1.447 1.00 2.53 H new ATOM 0 HB THR B 27 -13.891 -7.055 -3.452 1.00 3.34 H new ATOM 0 HG1 THR B 27 -13.833 -9.834 -4.195 1.00 3.84 H new ATOM 0 HG21 THR B 27 -11.876 -8.339 -2.853 1.00 3.95 H new ATOM 0 HG22 THR B 27 -12.822 -7.884 -1.416 1.00 3.95 H new ATOM 0 HG23 THR B 27 -12.895 -9.550 -2.038 1.00 3.95 H new ATOM 1955 N LEU B 28 -16.906 -6.477 -2.449 1.00 1.15 N ATOM 1956 CA LEU B 28 -18.064 -5.748 -2.934 1.00 0.90 C ATOM 1957 C LEU B 28 -17.685 -4.412 -3.555 1.00 0.71 C ATOM 1958 O LEU B 28 -16.516 -4.145 -3.832 1.00 0.76 O ATOM 1959 CB LEU B 28 -19.093 -5.560 -1.819 1.00 1.66 C ATOM 1960 CG LEU B 28 -19.714 -6.855 -1.288 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -20.783 -6.544 -0.259 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -20.298 -7.680 -2.426 1.00 2.37 C ATOM 0 H LEU B 28 -16.532 -6.150 -1.558 1.00 1.15 H new ATOM 0 HA LEU B 28 -18.514 -6.349 -3.724 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -18.617 -5.036 -0.990 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -19.892 -4.916 -2.187 1.00 1.66 H new ATOM 0 HG LEU B 28 -18.928 -7.440 -0.810 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -21.215 -7.474 0.109 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -20.339 -5.996 0.572 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -21.564 -5.938 -0.718 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -20.734 -8.595 -2.025 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -21.070 -7.103 -2.935 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -19.509 -7.933 -3.134 1.00 2.37 H new ATOM 1974 N SER B 29 -18.685 -3.580 -3.769 1.00 0.61 N ATOM 1975 CA SER B 29 -18.536 -2.387 -4.571 1.00 0.48 C ATOM 1976 C SER B 29 -17.986 -1.197 -3.783 1.00 0.44 C ATOM 1977 O SER B 29 -17.541 -1.333 -2.643 1.00 0.53 O ATOM 1978 CB SER B 29 -19.879 -2.038 -5.198 1.00 0.55 C ATOM 1979 OG SER B 29 -20.429 -3.162 -5.866 1.00 1.35 O ATOM 0 H SER B 29 -19.623 -3.714 -3.391 1.00 0.61 H new ATOM 0 HA SER B 29 -17.800 -2.601 -5.346 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.568 -1.695 -4.426 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.754 -1.216 -5.902 1.00 0.55 H new ATOM 0 HG SER B 29 -19.794 -3.486 -6.538 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.018 -0.036 -4.425 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.488 1.210 -3.880 1.00 0.36 C ATOM 1987 C LYS B 30 -18.098 1.584 -2.515 1.00 0.36 C ATOM 1988 O LYS B 30 -17.502 2.348 -1.766 1.00 0.37 O ATOM 1989 CB LYS B 30 -17.721 2.314 -4.920 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.698 3.742 -4.394 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.723 4.759 -5.535 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.584 4.303 -6.715 1.00 0.52 C ATOM 1993 NZ LYS B 30 -20.006 4.056 -6.341 1.00 1.32 N ATOM 0 H LYS B 30 -18.420 0.069 -5.356 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.423 1.083 -3.687 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -16.961 2.221 -5.696 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -18.686 2.139 -5.397 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -18.556 3.904 -3.741 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.804 3.894 -3.789 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.102 5.710 -5.160 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -16.705 4.936 -5.881 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -18.547 5.060 -7.498 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -18.161 3.390 -7.134 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -20.241 3.057 -6.509 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -20.144 4.279 -5.335 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -20.626 4.659 -6.918 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.265 1.029 -2.193 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.958 1.377 -0.953 1.00 0.40 C ATOM 2009 C GLY B 31 -19.111 1.212 0.299 1.00 0.38 C ATOM 2010 O GLY B 31 -18.944 2.155 1.073 1.00 0.39 O ATOM 0 H GLY B 31 -19.749 0.340 -2.769 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.296 2.411 -1.016 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.849 0.756 -0.861 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.570 0.021 0.495 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.809 -0.280 1.706 1.00 0.50 C ATOM 2016 C GLU B 32 -16.439 0.378 1.682 1.00 0.42 C ATOM 2017 O GLU B 32 -15.885 0.725 2.729 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.690 -1.787 1.928 1.00 0.67 C ATOM 2019 CG GLU B 32 -17.514 -2.609 0.662 1.00 0.96 C ATOM 2020 CD GLU B 32 -17.643 -4.094 0.924 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -18.692 -4.513 1.457 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -16.704 -4.847 0.608 1.00 2.43 O ATOM 0 H GLU B 32 -18.641 -0.754 -0.164 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.361 0.138 2.548 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.843 -1.976 2.587 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -18.583 -2.134 2.448 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.259 -2.305 -0.073 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -16.536 -2.402 0.229 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.909 0.558 0.485 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.687 1.319 0.297 1.00 0.34 C ATOM 2031 C LEU B 33 -14.906 2.732 0.791 1.00 0.30 C ATOM 2032 O LEU B 33 -14.156 3.239 1.610 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.314 1.361 -1.176 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.961 1.995 -1.481 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.834 1.159 -0.898 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.785 2.171 -2.977 1.00 0.46 C ATOM 0 H LEU B 33 -16.309 0.185 -0.376 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.881 0.843 0.855 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.317 0.343 -1.565 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -15.086 1.911 -1.715 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.927 2.980 -1.014 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.877 1.628 -1.127 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.955 1.089 0.183 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.861 0.159 -1.332 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.815 2.625 -3.178 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.840 1.199 -3.467 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.574 2.816 -3.363 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.968 3.335 0.278 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.398 4.669 0.658 1.00 0.31 C ATOM 2050 C LYS B 34 -16.445 4.814 2.171 1.00 0.35 C ATOM 2051 O LYS B 34 -15.928 5.783 2.724 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.783 4.920 0.066 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.461 6.182 0.578 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.973 6.114 0.425 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.394 5.956 -1.026 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.872 5.955 -1.172 1.00 1.87 N ATOM 0 H LYS B 34 -16.565 2.902 -0.427 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.686 5.400 0.275 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.696 4.982 -1.019 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.420 4.064 0.286 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.208 6.330 1.628 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.079 7.046 0.034 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -20.359 5.277 1.007 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.420 7.020 0.835 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -19.970 6.767 -1.618 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.988 5.026 -1.423 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.122 5.845 -2.176 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -22.274 5.166 -0.627 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -22.257 6.853 -0.816 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.068 3.844 2.833 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.122 3.829 4.287 1.00 0.43 C ATOM 2072 C GLN B 35 -15.724 3.884 4.877 1.00 0.43 C ATOM 2073 O GLN B 35 -15.380 4.850 5.549 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.862 2.594 4.794 1.00 0.50 C ATOM 2075 CG GLN B 35 -19.368 2.735 4.742 1.00 1.07 C ATOM 2076 CD GLN B 35 -20.081 1.495 5.236 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -20.370 0.579 4.465 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.368 1.456 6.525 1.00 2.06 N ATOM 0 H GLN B 35 -17.541 3.060 2.384 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.671 4.714 4.610 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.564 1.731 4.199 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.558 2.393 5.821 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.671 3.590 5.346 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -19.675 2.944 3.717 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -20.110 2.237 7.129 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.847 0.645 6.917 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.916 2.865 4.587 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.551 2.783 5.095 1.00 0.39 C ATOM 2089 C LEU B 36 -12.809 4.092 4.847 1.00 0.38 C ATOM 2090 O LEU B 36 -12.184 4.643 5.735 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.821 1.624 4.411 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.398 1.342 4.902 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.075 -0.129 4.718 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.383 2.194 4.150 1.00 0.40 C ATOM 0 H LEU B 36 -15.189 2.079 3.997 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.582 2.606 6.170 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.415 0.719 4.542 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.781 1.827 3.341 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.341 1.598 5.960 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.062 -0.326 5.068 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.780 -0.731 5.291 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.150 -0.389 3.662 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.381 1.975 4.517 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.436 1.968 3.085 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.605 3.249 4.309 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.915 4.588 3.634 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.197 5.779 3.217 1.00 0.35 C ATOM 2108 C LEU B 37 -12.624 7.015 3.995 1.00 0.41 C ATOM 2109 O LEU B 37 -11.787 7.718 4.562 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.415 6.001 1.729 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.871 4.888 0.839 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.180 5.165 -0.621 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.378 4.728 1.064 1.00 0.32 C ATOM 0 H LEU B 37 -13.501 4.179 2.906 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.139 5.620 3.425 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.484 6.109 1.543 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.945 6.942 1.442 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.362 3.952 1.106 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.782 4.358 -1.236 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.259 5.228 -0.759 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.720 6.108 -0.918 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.997 3.931 0.425 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.871 5.662 0.821 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.192 4.476 2.108 1.00 0.32 H new ATOM 2125 N THR B 38 -13.920 7.268 4.032 1.00 0.45 N ATOM 2126 CA THR B 38 -14.443 8.476 4.638 1.00 0.53 C ATOM 2127 C THR B 38 -14.163 8.523 6.134 1.00 0.59 C ATOM 2128 O THR B 38 -13.919 9.592 6.691 1.00 0.67 O ATOM 2129 CB THR B 38 -15.961 8.608 4.401 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.622 7.389 4.761 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.258 8.936 2.947 1.00 1.03 C ATOM 0 H THR B 38 -14.632 6.648 3.647 1.00 0.45 H new ATOM 0 HA THR B 38 -13.931 9.311 4.160 1.00 0.53 H new ATOM 0 HB THR B 38 -16.331 9.422 5.024 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.565 6.754 4.017 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.335 9.024 2.807 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.780 9.879 2.682 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.872 8.141 2.309 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.204 7.371 6.787 1.00 0.58 N ATOM 2140 CA LYS B 39 -14.056 7.336 8.231 1.00 0.67 C ATOM 2141 C LYS B 39 -12.631 7.013 8.688 1.00 0.65 C ATOM 2142 O LYS B 39 -12.230 7.427 9.776 1.00 0.72 O ATOM 2143 CB LYS B 39 -15.067 6.376 8.852 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.935 4.941 8.388 1.00 0.68 C ATOM 2145 CD LYS B 39 -16.250 4.183 8.529 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.723 4.145 9.975 1.00 0.87 C ATOM 2147 NZ LYS B 39 -17.974 3.357 10.136 1.00 1.62 N ATOM 0 H LYS B 39 -14.337 6.461 6.346 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.262 8.345 8.589 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.959 6.406 9.936 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -16.073 6.728 8.622 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.614 4.923 7.347 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -14.161 4.440 8.969 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -17.011 4.656 7.909 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -16.125 3.165 8.160 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.941 3.714 10.600 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.889 5.163 10.328 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -18.305 3.428 11.119 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -18.704 3.731 9.497 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -17.789 2.360 9.905 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.862 6.294 7.872 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.512 5.890 8.273 1.00 0.58 C ATOM 2163 C GLU B 40 -9.461 6.818 7.675 1.00 0.56 C ATOM 2164 O GLU B 40 -8.502 7.205 8.340 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.210 4.445 7.846 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.082 3.397 8.515 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.048 3.468 10.032 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -9.960 3.301 10.626 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -12.126 3.671 10.636 1.00 1.63 O ATOM 0 H GLU B 40 -12.143 5.982 6.942 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.471 5.954 9.360 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.332 4.365 6.766 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.165 4.225 8.066 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.110 3.519 8.175 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.757 2.406 8.197 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.644 7.180 6.418 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.647 7.974 5.708 1.00 0.49 C ATOM 2178 C LEU B 41 -9.157 9.395 5.513 1.00 0.53 C ATOM 2179 O LEU B 41 -8.728 10.113 4.606 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.315 7.330 4.357 1.00 0.43 C ATOM 2181 CG LEU B 41 -8.054 5.817 4.400 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.534 5.325 3.061 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.080 5.458 5.514 1.00 1.42 C ATOM 0 H LEU B 41 -10.468 6.940 5.867 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.734 8.009 6.303 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.139 7.521 3.669 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.435 7.823 3.944 1.00 0.43 H new ATOM 0 HG LEU B 41 -9.002 5.321 4.608 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.355 4.251 3.112 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.271 5.534 2.286 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.602 5.837 2.822 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.915 4.381 5.520 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -6.132 5.970 5.347 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.495 5.766 6.474 1.00 1.42 H new ATOM 2195 N ALA B 42 -10.070 9.775 6.403 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.755 11.070 6.372 1.00 0.64 C ATOM 2197 C ALA B 42 -9.819 12.257 6.143 1.00 0.71 C ATOM 2198 O ALA B 42 -10.164 13.192 5.419 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.519 11.269 7.669 1.00 0.71 C ATOM 0 H ALA B 42 -10.362 9.183 7.181 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.433 11.042 5.519 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -12.029 12.232 7.647 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.254 10.472 7.784 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.824 11.246 8.508 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.651 12.233 6.760 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.741 13.367 6.686 1.00 0.83 C ATOM 2207 C ASN B 43 -6.432 12.968 6.011 1.00 0.83 C ATOM 2208 O ASN B 43 -5.377 13.537 6.282 1.00 1.07 O ATOM 2209 CB ASN B 43 -7.476 13.917 8.094 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.745 15.253 8.095 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -7.006 16.085 7.098 1.00 1.56 O flip ATOM 2212 ND2 ASN B 43 -5.961 15.544 9.000 1.00 2.16 N flip ATOM 0 H ASN B 43 -8.310 11.448 7.315 1.00 0.74 H new ATOM 0 HA ASN B 43 -8.205 14.148 6.084 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -8.426 14.031 8.616 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.889 13.190 8.655 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -5.782 14.880 9.753 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -5.491 16.449 8.996 1.00 2.16 H new ATOM 2219 N THR B 44 -6.498 11.991 5.124 1.00 0.65 N ATOM 2220 CA THR B 44 -5.308 11.535 4.430 1.00 0.61 C ATOM 2221 C THR B 44 -5.395 11.877 2.954 1.00 0.59 C ATOM 2222 O THR B 44 -4.573 12.620 2.417 1.00 0.66 O ATOM 2223 CB THR B 44 -5.133 10.019 4.577 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.495 9.622 5.905 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.692 9.617 4.292 1.00 0.52 C ATOM 0 H THR B 44 -7.356 11.502 4.869 1.00 0.65 H new ATOM 0 HA THR B 44 -4.451 12.039 4.877 1.00 0.61 H new ATOM 0 HB THR B 44 -5.781 9.519 3.857 1.00 0.55 H new ATOM 0 HG1 THR B 44 -5.334 10.365 6.524 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.587 8.538 4.401 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.428 9.906 3.275 1.00 0.52 H new ATOM 0 HG23 THR B 44 -3.028 10.119 4.996 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.415 11.336 2.317 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.636 11.533 0.902 1.00 0.51 C ATOM 2235 C ILE B 45 -7.443 12.812 0.683 1.00 0.59 C ATOM 2236 O ILE B 45 -8.372 13.089 1.444 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.388 10.323 0.317 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.644 9.017 0.638 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.565 10.481 -1.184 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.332 7.779 0.099 1.00 0.35 C ATOM 0 H ILE B 45 -7.114 10.747 2.769 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.676 11.627 0.395 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.375 10.277 0.777 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.637 9.072 0.225 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.541 8.924 1.719 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.098 9.617 -1.580 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.137 11.386 -1.390 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.587 10.554 -1.660 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.751 6.896 0.363 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.329 7.700 0.531 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.411 7.850 -0.986 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.069 13.601 -0.332 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.734 14.875 -0.593 1.00 0.74 C ATOM 2254 C LYS B 46 -9.234 14.677 -0.745 1.00 0.68 C ATOM 2255 O LYS B 46 -9.682 13.878 -1.569 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.135 15.588 -1.835 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.865 15.373 -3.165 1.00 0.79 C ATOM 2258 CD LYS B 46 -9.011 16.369 -3.337 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.709 16.220 -4.680 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.916 16.802 -5.793 1.00 1.61 N ATOM 0 H LYS B 46 -6.314 13.378 -0.980 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.561 15.522 0.267 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.104 16.658 -1.632 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.104 15.256 -1.954 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -7.161 15.480 -3.990 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -8.255 14.356 -3.208 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.736 16.227 -2.536 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.625 17.384 -3.241 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.889 15.163 -4.878 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.683 16.707 -4.637 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.530 16.941 -6.621 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.522 17.717 -5.497 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -8.141 16.155 -6.042 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.984 15.388 0.095 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.444 15.376 0.058 1.00 0.67 C ATOM 2276 C ASN B 47 -11.994 13.967 -0.077 1.00 0.59 C ATOM 2277 O ASN B 47 -12.906 13.723 -0.859 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.966 16.244 -1.084 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.781 17.727 -0.834 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.720 18.294 -1.105 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.825 18.375 -0.343 1.00 1.24 N ATOM 0 H ASN B 47 -9.595 15.989 0.821 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.789 15.786 1.007 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.452 15.970 -2.005 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.025 16.036 -1.236 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.769 19.380 -0.176 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.686 17.870 -0.132 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.441 13.046 0.701 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.861 11.647 0.669 1.00 0.48 C ATOM 2290 C ILE B 48 -13.334 11.511 1.059 1.00 0.48 C ATOM 2291 O ILE B 48 -13.947 10.458 0.914 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.995 10.793 1.620 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.244 9.302 1.401 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.277 11.163 3.065 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -11.053 8.866 -0.031 1.00 0.38 C ATOM 0 H ILE B 48 -10.695 13.243 1.368 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.730 11.286 -0.351 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.948 10.999 1.398 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.570 8.731 2.040 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.260 9.061 1.714 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.659 10.553 3.724 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.045 12.216 3.223 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.329 10.986 3.287 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.246 7.796 -0.114 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.746 9.411 -0.673 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -10.029 9.075 -0.342 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.890 12.602 1.547 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.272 12.642 1.968 1.00 0.57 C ATOM 2309 C LYS B 49 -16.177 12.918 0.779 1.00 0.55 C ATOM 2310 O LYS B 49 -17.402 12.808 0.868 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.447 13.728 3.018 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.465 13.610 4.171 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.596 12.274 4.884 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.851 12.200 5.741 1.00 0.83 C ATOM 2315 NZ LYS B 49 -15.843 13.210 6.832 1.00 1.11 N ATOM 0 H LYS B 49 -13.394 13.486 1.662 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.545 11.677 2.394 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.328 14.703 2.546 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.463 13.686 3.409 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.448 13.725 3.796 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.637 14.420 4.880 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.614 11.471 4.147 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.720 12.112 5.511 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.728 12.353 5.112 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.937 11.202 6.172 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -16.536 12.941 7.559 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -14.895 13.254 7.257 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.092 14.142 6.444 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.559 13.278 -0.333 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.284 13.617 -1.540 1.00 0.56 C ATOM 2331 C ASP B 50 -16.467 12.410 -2.429 1.00 0.50 C ATOM 2332 O ASP B 50 -15.520 11.693 -2.740 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.570 14.732 -2.301 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.033 16.105 -1.871 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.104 16.542 -2.341 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -15.337 16.759 -1.064 1.00 1.56 O ATOM 0 H ASP B 50 -14.545 13.343 -0.422 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.272 13.971 -1.244 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.495 14.647 -2.142 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.745 14.610 -3.370 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.709 12.207 -2.832 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.090 11.095 -3.682 1.00 0.48 C ATOM 2343 C LYS B 51 -17.383 11.163 -5.022 1.00 0.49 C ATOM 2344 O LYS B 51 -17.097 10.136 -5.628 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.597 11.115 -3.889 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.105 10.104 -4.902 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.796 8.677 -4.487 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.217 7.694 -5.564 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.653 7.845 -5.926 1.00 0.92 N ATOM 0 H LYS B 51 -18.487 12.815 -2.576 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.795 10.166 -3.194 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.085 10.929 -2.932 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.894 12.113 -4.210 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.182 10.221 -5.022 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.652 10.305 -5.873 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.728 8.574 -4.293 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.313 8.445 -3.556 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.602 7.843 -6.451 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.035 6.677 -5.217 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.952 7.035 -6.507 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.227 7.881 -5.060 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.784 8.725 -6.465 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.102 12.373 -5.481 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.384 12.553 -6.729 1.00 0.60 C ATOM 2365 C ALA B 52 -14.963 12.064 -6.562 1.00 0.57 C ATOM 2366 O ALA B 52 -14.374 11.486 -7.472 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.388 14.010 -7.149 1.00 0.67 C ATOM 0 H ALA B 52 -17.360 13.240 -5.009 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.881 11.976 -7.509 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.844 14.120 -8.087 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.416 14.347 -7.284 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.907 14.612 -6.378 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.445 12.271 -5.365 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.104 11.836 -5.020 1.00 0.53 C ATOM 2375 C VAL B 53 -13.080 10.325 -4.871 1.00 0.47 C ATOM 2376 O VAL B 53 -12.219 9.644 -5.425 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.630 12.503 -3.711 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.415 11.795 -3.131 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.312 13.965 -3.951 1.00 0.60 C ATOM 0 H VAL B 53 -14.939 12.743 -4.608 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.425 12.133 -5.820 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.442 12.425 -2.988 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.109 12.292 -2.210 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.667 10.756 -2.916 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.597 11.829 -3.850 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.979 14.423 -3.019 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.523 14.048 -4.698 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.205 14.478 -4.308 1.00 0.60 H new ATOM 2389 N ILE B 54 -14.054 9.813 -4.137 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.200 8.378 -3.939 1.00 0.36 C ATOM 2391 C ILE B 54 -14.407 7.650 -5.258 1.00 0.38 C ATOM 2392 O ILE B 54 -13.897 6.550 -5.457 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.373 8.089 -3.009 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -15.087 8.735 -1.661 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.602 6.586 -2.862 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -16.114 8.424 -0.608 1.00 0.38 C ATOM 0 H ILE B 54 -14.762 10.375 -3.664 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.277 8.014 -3.488 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.287 8.508 -3.430 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -14.109 8.404 -1.310 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -15.030 9.816 -1.791 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.445 6.410 -2.193 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.818 6.154 -3.839 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.707 6.120 -2.449 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.841 8.919 0.324 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -17.091 8.780 -0.936 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.156 7.347 -0.447 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.161 8.270 -6.152 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.377 7.732 -7.486 1.00 0.47 C ATOM 2410 C ASP B 55 -14.057 7.641 -8.210 1.00 0.48 C ATOM 2411 O ASP B 55 -13.667 6.580 -8.664 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.339 8.625 -8.261 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.366 8.341 -9.751 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.158 7.475 -10.180 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -15.619 9.004 -10.501 1.00 1.53 O ATOM 0 H ASP B 55 -15.638 9.154 -5.975 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.814 6.736 -7.407 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.344 8.499 -7.857 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -16.061 9.667 -8.103 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.371 8.767 -8.269 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.044 8.848 -8.853 1.00 0.53 C ATOM 2422 C GLU B 56 -11.147 7.715 -8.355 1.00 0.47 C ATOM 2423 O GLU B 56 -10.442 7.064 -9.136 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.442 10.196 -8.487 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.926 11.336 -9.365 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.219 12.640 -9.072 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -9.975 12.678 -9.149 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -11.906 13.638 -8.772 1.00 1.66 O ATOM 0 H GLU B 56 -13.720 9.656 -7.911 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.121 8.748 -9.936 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.682 10.422 -7.448 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.356 10.131 -8.557 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -11.774 11.073 -10.412 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -12.998 11.469 -9.222 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.200 7.466 -7.056 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.397 6.438 -6.438 1.00 0.39 C ATOM 2437 C ILE B 57 -10.875 5.044 -6.827 1.00 0.36 C ATOM 2438 O ILE B 57 -10.126 4.278 -7.424 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.439 6.589 -4.920 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.825 7.929 -4.518 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.723 5.440 -4.246 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.826 8.177 -3.031 1.00 1.00 C ATOM 0 H ILE B 57 -11.801 7.973 -6.407 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.373 6.556 -6.793 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.478 6.568 -4.591 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.799 7.972 -4.883 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.373 8.732 -5.011 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.766 5.569 -3.164 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -10.205 4.501 -4.519 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.682 5.421 -4.568 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.375 9.147 -2.824 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.851 8.167 -2.661 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -9.253 7.396 -2.531 1.00 1.00 H new ATOM 2454 N PHE B 58 -12.125 4.729 -6.499 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.685 3.407 -6.764 1.00 0.36 C ATOM 2456 C PHE B 58 -12.563 3.052 -8.233 1.00 0.41 C ATOM 2457 O PHE B 58 -12.140 1.956 -8.581 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.157 3.344 -6.351 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.798 2.023 -6.668 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.473 0.890 -5.940 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -15.715 1.911 -7.701 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -15.053 -0.327 -6.233 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -16.297 0.696 -7.999 1.00 1.16 C ATOM 2464 CZ PHE B 58 -15.966 -0.425 -7.264 1.00 0.93 C ATOM 0 H PHE B 58 -12.772 5.375 -6.047 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.117 2.688 -6.174 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.237 3.533 -5.281 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.705 4.139 -6.857 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -13.758 0.960 -5.134 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -15.977 2.785 -8.279 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -14.793 -1.202 -5.656 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -17.011 0.622 -8.806 1.00 1.16 H new ATOM 0 HZ PHE B 58 -16.421 -1.377 -7.495 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.925 3.995 -9.081 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.871 3.800 -10.517 1.00 0.52 C ATOM 2476 C GLN B 59 -11.427 3.604 -10.972 1.00 0.52 C ATOM 2477 O GLN B 59 -11.168 2.990 -12.009 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.504 5.000 -11.230 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.990 5.192 -10.930 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.861 4.048 -11.422 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -15.431 2.897 -11.503 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -17.103 4.362 -11.747 1.00 1.63 N ATOM 0 H GLN B 59 -13.263 4.914 -8.796 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.434 2.903 -10.775 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.967 5.904 -10.943 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.374 4.880 -12.306 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -15.124 5.303 -9.854 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.329 6.120 -11.391 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -17.423 5.327 -11.666 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -17.742 3.639 -12.078 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.490 4.132 -10.189 1.00 0.48 N ATOM 2492 CA GLY B 60 -9.086 3.922 -10.469 1.00 0.49 C ATOM 2493 C GLY B 60 -8.585 2.567 -9.989 1.00 0.47 C ATOM 2494 O GLY B 60 -7.649 2.013 -10.565 1.00 0.53 O ATOM 0 H GLY B 60 -10.682 4.702 -9.365 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.918 4.007 -11.543 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.503 4.710 -9.992 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.194 2.035 -8.930 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.782 0.742 -8.390 1.00 0.44 C ATOM 2500 C LEU B 61 -9.465 -0.377 -9.143 1.00 0.51 C ATOM 2501 O LEU B 61 -8.859 -1.409 -9.417 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.135 0.595 -6.907 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.136 1.876 -6.081 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.684 1.584 -4.696 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.734 2.465 -5.994 1.00 0.35 C ATOM 0 H LEU B 61 -9.968 2.476 -8.433 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.699 0.687 -8.503 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.123 0.141 -6.834 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.430 -0.102 -6.455 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.775 2.613 -6.569 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.685 2.500 -4.105 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.703 1.205 -4.780 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.058 0.837 -4.207 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.759 3.378 -5.400 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.065 1.744 -5.523 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.373 2.694 -6.997 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.738 -0.156 -9.458 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.575 -1.144 -10.131 1.00 0.59 C ATOM 2519 C ASP B 62 -11.134 -1.322 -11.580 1.00 0.70 C ATOM 2520 O ASP B 62 -11.834 -0.946 -12.521 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.050 -0.715 -10.053 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.008 -1.708 -10.691 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.119 -2.846 -10.191 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -14.677 -1.341 -11.682 1.00 1.11 O ATOM 0 H ASP B 62 -11.221 0.719 -9.252 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.465 -2.105 -9.629 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.325 -0.578 -9.007 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.164 0.253 -10.542 1.00 0.57 H new ATOM 2529 N ALA B 63 -9.949 -1.882 -11.746 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.392 -2.146 -13.059 1.00 0.94 C ATOM 2531 C ALA B 63 -9.996 -3.417 -13.626 1.00 1.12 C ATOM 2532 O ALA B 63 -9.966 -3.657 -14.834 1.00 1.31 O ATOM 2533 CB ALA B 63 -7.878 -2.249 -12.979 1.00 1.00 C ATOM 0 H ALA B 63 -9.346 -2.166 -10.974 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.637 -1.320 -13.726 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.474 -2.447 -13.972 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.469 -1.312 -12.601 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -7.604 -3.062 -12.307 1.00 1.00 H new ATOM 2539 N ASN B 64 -10.554 -4.226 -12.734 1.00 1.10 N ATOM 2540 CA ASN B 64 -11.258 -5.435 -13.129 1.00 1.28 C ATOM 2541 C ASN B 64 -12.597 -5.073 -13.771 1.00 1.22 C ATOM 2542 O ASN B 64 -13.192 -5.866 -14.503 1.00 1.37 O ATOM 2543 CB ASN B 64 -11.467 -6.354 -11.918 1.00 1.34 C ATOM 2544 CG ASN B 64 -12.428 -5.775 -10.894 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -13.631 -6.019 -10.955 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -11.908 -5.012 -9.943 1.00 2.80 N ATOM 0 H ASN B 64 -10.531 -4.064 -11.727 1.00 1.10 H new ATOM 0 HA ASN B 64 -10.655 -5.972 -13.861 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -11.846 -7.317 -12.260 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -10.505 -6.542 -11.441 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -12.512 -4.605 -9.229 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -10.904 -4.832 -9.925 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.042 -3.844 -13.481 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.207 -3.229 -14.119 1.00 1.06 C ATOM 2555 C GLN B 65 -15.493 -3.999 -13.849 1.00 1.04 C ATOM 2556 O GLN B 65 -16.361 -4.099 -14.719 1.00 1.17 O ATOM 2557 CB GLN B 65 -13.986 -3.082 -15.625 1.00 1.32 C ATOM 2558 CG GLN B 65 -12.842 -2.145 -15.979 1.00 1.38 C ATOM 2559 CD GLN B 65 -12.625 -2.012 -17.471 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -13.692 -2.120 -18.245 1.00 2.72 O flip ATOM 2561 NE2 GLN B 65 -11.502 -1.799 -17.926 1.00 2.58 N flip ATOM 0 H GLN B 65 -12.596 -3.243 -12.788 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.322 -2.240 -13.676 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -13.787 -4.064 -16.053 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -14.903 -2.714 -16.085 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.043 -1.160 -15.558 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -11.925 -2.509 -15.515 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -10.703 -1.722 -17.297 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -11.370 -1.699 -18.933 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.624 -4.528 -12.646 1.00 0.93 N ATOM 2571 CA ASP B 66 -16.845 -5.224 -12.258 1.00 0.95 C ATOM 2572 C ASP B 66 -17.486 -4.565 -11.056 1.00 0.81 C ATOM 2573 O ASP B 66 -18.423 -5.108 -10.464 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.581 -6.696 -11.954 1.00 1.06 C ATOM 2575 CG ASP B 66 -16.624 -7.565 -13.193 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -17.721 -7.745 -13.761 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -15.564 -8.089 -13.597 1.00 2.14 O ATOM 0 H ASP B 66 -14.906 -4.491 -11.922 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.528 -5.164 -13.105 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.605 -6.795 -11.479 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -17.321 -7.054 -11.238 1.00 1.06 H new ATOM 2582 N GLU B 67 -16.970 -3.394 -10.700 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.484 -2.617 -9.584 1.00 0.63 C ATOM 2584 C GLU B 67 -17.283 -3.383 -8.280 1.00 0.58 C ATOM 2585 O GLU B 67 -18.214 -3.580 -7.497 1.00 0.61 O ATOM 2586 CB GLU B 67 -18.960 -2.271 -9.806 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.497 -1.235 -8.839 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.955 -0.921 -9.076 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.811 -1.785 -8.791 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.255 0.200 -9.537 1.00 2.00 O ATOM 0 H GLU B 67 -16.182 -2.958 -11.179 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.931 -1.680 -9.517 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.089 -1.905 -10.825 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.554 -3.180 -9.717 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.368 -1.595 -7.818 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.912 -0.320 -8.931 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.054 -3.823 -8.060 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.702 -4.502 -6.828 1.00 0.66 C ATOM 2599 C GLN B 68 -14.247 -4.239 -6.468 1.00 0.66 C ATOM 2600 O GLN B 68 -13.331 -4.564 -7.228 1.00 0.78 O ATOM 2601 CB GLN B 68 -15.963 -6.011 -6.926 1.00 0.86 C ATOM 2602 CG GLN B 68 -15.258 -6.699 -8.088 1.00 1.38 C ATOM 2603 CD GLN B 68 -15.449 -8.206 -8.087 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -15.562 -8.801 -6.909 1.00 2.16 O flip ATOM 2605 NE2 GLN B 68 -15.474 -8.840 -9.142 1.00 2.07 N flip ATOM 0 H GLN B 68 -15.284 -3.721 -8.721 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.337 -4.102 -6.037 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.648 -6.483 -5.995 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -17.036 -6.176 -7.019 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -15.633 -6.291 -9.027 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -14.193 -6.473 -8.045 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -15.384 -8.351 -10.033 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -15.584 -9.854 -9.125 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.040 -3.614 -5.323 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.701 -3.406 -4.818 1.00 0.64 C ATOM 2616 C VAL B 69 -12.188 -4.675 -4.129 1.00 0.64 C ATOM 2617 O VAL B 69 -12.648 -5.057 -3.052 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.638 -2.190 -3.858 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.660 -2.307 -2.733 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.235 -2.016 -3.297 1.00 1.22 C ATOM 0 H VAL B 69 -14.782 -3.244 -4.729 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.052 -3.185 -5.666 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.889 -1.302 -4.438 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.585 -1.436 -2.081 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.663 -2.358 -3.157 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.464 -3.210 -2.156 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -11.215 -1.157 -2.626 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.949 -2.913 -2.747 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.533 -1.854 -4.115 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.257 -5.346 -4.786 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.609 -6.517 -4.213 1.00 0.73 C ATOM 2632 C ASP B 70 -9.435 -6.065 -3.356 1.00 0.64 C ATOM 2633 O ASP B 70 -9.134 -4.879 -3.325 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.138 -7.463 -5.331 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.486 -8.733 -4.814 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -10.214 -9.704 -4.519 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -8.241 -8.761 -4.699 1.00 2.02 O ATOM 0 H ASP B 70 -10.931 -5.100 -5.721 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.317 -7.062 -3.589 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.992 -7.730 -5.954 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.430 -6.934 -5.969 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.774 -6.980 -2.665 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.592 -6.629 -1.891 1.00 0.67 C ATOM 2644 C PHE B 71 -6.530 -6.026 -2.803 1.00 0.56 C ATOM 2645 O PHE B 71 -5.788 -5.137 -2.403 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.016 -7.852 -1.179 1.00 0.83 C ATOM 2647 CG PHE B 71 -7.930 -8.454 -0.150 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.031 -9.205 -0.529 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -7.680 -8.273 1.199 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -9.867 -9.761 0.419 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -8.512 -8.827 2.152 1.00 1.76 C ATOM 2652 CZ PHE B 71 -9.607 -9.571 1.760 1.00 1.77 C ATOM 0 H PHE B 71 -9.033 -7.966 -2.623 1.00 0.70 H new ATOM 0 HA PHE B 71 -7.888 -5.898 -1.139 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.775 -8.611 -1.923 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.080 -7.570 -0.697 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.238 -9.357 -1.578 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -6.824 -7.692 1.510 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -10.723 -10.343 0.111 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -8.306 -8.679 3.202 1.00 1.76 H new ATOM 0 HZ PHE B 71 -10.260 -10.004 2.503 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.469 -6.525 -4.032 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.553 -5.999 -5.035 1.00 0.57 C ATOM 2664 C GLN B 72 -5.957 -4.587 -5.460 1.00 0.50 C ATOM 2665 O GLN B 72 -5.114 -3.698 -5.602 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.539 -6.918 -6.251 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.618 -6.442 -7.352 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.803 -7.215 -8.639 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.137 -8.225 -8.873 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -5.721 -6.757 -9.475 1.00 1.66 N ATOM 0 H GLN B 72 -7.048 -7.299 -4.359 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.555 -5.953 -4.598 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.234 -7.917 -5.939 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.552 -7.002 -6.645 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.798 -5.383 -7.539 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.584 -6.536 -7.021 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -6.250 -5.917 -9.241 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -5.900 -7.244 -10.353 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.247 -4.385 -5.663 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.761 -3.075 -6.041 1.00 0.47 C ATOM 2681 C GLU B 73 -7.644 -2.118 -4.852 1.00 0.36 C ATOM 2682 O GLU B 73 -7.448 -0.920 -5.007 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.216 -3.188 -6.512 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.499 -4.408 -7.391 1.00 0.78 C ATOM 2685 CD GLU B 73 -8.717 -4.433 -8.694 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -7.492 -4.679 -8.659 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -9.329 -4.228 -9.765 1.00 1.99 O ATOM 0 H GLU B 73 -7.960 -5.109 -5.573 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.171 -2.681 -6.868 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.867 -3.225 -5.638 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.478 -2.287 -7.066 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -9.269 -5.311 -6.825 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -10.564 -4.438 -7.619 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.751 -2.670 -3.658 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.542 -1.906 -2.442 1.00 0.34 C ATOM 2696 C PHE B 74 -6.054 -1.643 -2.250 1.00 0.32 C ATOM 2697 O PHE B 74 -5.657 -0.716 -1.554 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.112 -2.663 -1.241 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.093 -1.880 0.042 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.024 -0.881 0.270 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.151 -2.150 1.022 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -9.017 -0.164 1.451 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.138 -1.435 2.204 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.072 -0.442 2.419 1.00 1.90 C ATOM 0 H PHE B 74 -7.983 -3.651 -3.504 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.060 -0.951 -2.524 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.139 -2.953 -1.462 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.544 -3.583 -1.102 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.765 -0.660 -0.484 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.419 -2.928 0.860 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.749 0.612 1.617 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.397 -1.653 2.959 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.064 0.117 3.343 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.241 -2.458 -2.900 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.802 -2.303 -2.862 1.00 0.36 C ATOM 2716 C ILE B 75 -3.404 -1.034 -3.592 1.00 0.34 C ATOM 2717 O ILE B 75 -2.539 -0.283 -3.136 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.108 -3.546 -3.468 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.581 -4.437 -2.360 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.995 -3.167 -4.430 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.278 -5.836 -2.821 1.00 0.67 C ATOM 0 H ILE B 75 -5.561 -3.243 -3.467 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.476 -2.218 -1.825 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.853 -4.095 -4.045 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.676 -3.994 -1.945 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.314 -4.477 -1.555 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.537 -4.071 -4.831 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.407 -2.576 -5.248 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.242 -2.582 -3.903 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.905 -6.423 -1.982 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.187 -6.296 -3.210 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.523 -5.805 -3.606 1.00 0.67 H new ATOM 2733 N SER B 76 -4.061 -0.779 -4.715 1.00 0.34 N ATOM 2734 CA SER B 76 -3.857 0.464 -5.419 1.00 0.36 C ATOM 2735 C SER B 76 -4.468 1.612 -4.620 1.00 0.31 C ATOM 2736 O SER B 76 -3.979 2.730 -4.671 1.00 0.33 O ATOM 2737 CB SER B 76 -4.422 0.388 -6.839 1.00 0.45 C ATOM 2738 OG SER B 76 -5.632 -0.342 -6.877 1.00 0.74 O ATOM 0 H SER B 76 -4.732 -1.413 -5.149 1.00 0.34 H new ATOM 0 HA SER B 76 -2.788 0.651 -5.517 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.592 1.396 -7.219 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.692 -0.082 -7.498 1.00 0.45 H new ATOM 0 HG SER B 76 -6.110 -0.228 -6.029 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.515 1.324 -3.851 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.084 2.314 -2.938 1.00 0.26 C ATOM 2746 C LEU B 77 -5.025 2.765 -1.943 1.00 0.23 C ATOM 2747 O LEU B 77 -4.847 3.960 -1.711 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.308 1.736 -2.202 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.999 2.647 -1.166 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.291 2.598 0.181 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.067 4.077 -1.669 1.00 1.14 C ATOM 0 H LEU B 77 -5.985 0.419 -3.841 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.416 3.176 -3.517 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.049 1.451 -2.949 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -6.998 0.822 -1.695 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.014 2.273 -1.028 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.805 3.251 0.886 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.301 1.576 0.560 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.260 2.931 0.062 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.558 4.702 -0.923 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.058 4.449 -1.847 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.634 4.109 -2.599 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.313 1.806 -1.368 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.266 2.120 -0.413 1.00 0.25 C ATOM 2765 C VAL B 78 -2.165 2.900 -1.104 1.00 0.27 C ATOM 2766 O VAL B 78 -1.498 3.713 -0.492 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.658 0.863 0.232 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.752 1.250 1.384 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.747 -0.090 0.702 1.00 0.31 C ATOM 0 H VAL B 78 -4.442 0.810 -1.546 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.723 2.712 0.380 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.063 0.346 -0.521 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.328 0.351 1.832 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.947 1.886 1.016 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.328 1.792 2.134 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.290 -0.970 1.154 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.376 0.411 1.438 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.356 -0.394 -0.149 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.989 2.649 -2.389 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.045 3.409 -3.189 1.00 0.36 C ATOM 2781 C ALA B 79 -1.450 4.883 -3.214 1.00 0.33 C ATOM 2782 O ALA B 79 -0.645 5.772 -2.925 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.989 2.844 -4.598 1.00 0.43 C ATOM 0 H ALA B 79 -2.489 1.923 -2.902 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.053 3.331 -2.745 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.279 3.419 -5.193 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.671 1.802 -4.560 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.977 2.905 -5.054 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.713 5.119 -3.547 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.310 6.455 -3.516 1.00 0.32 C ATOM 2791 C ILE B 80 -3.154 7.073 -2.130 1.00 0.28 C ATOM 2792 O ILE B 80 -2.827 8.252 -1.988 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.822 6.387 -3.887 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.030 6.326 -5.406 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.596 7.564 -3.305 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.378 5.145 -6.085 1.00 0.40 C ATOM 0 H ILE B 80 -3.358 4.388 -3.848 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.792 7.076 -4.247 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.209 5.467 -3.448 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.100 6.301 -5.612 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.641 7.243 -5.849 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.646 7.483 -3.585 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.508 7.556 -2.219 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.188 8.496 -3.695 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.578 5.185 -7.156 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.302 5.177 -5.916 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.783 4.220 -5.674 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.359 6.253 -1.118 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.373 6.710 0.256 1.00 0.23 C ATOM 2810 C ALA B 81 -1.965 6.970 0.804 1.00 0.23 C ATOM 2811 O ALA B 81 -1.771 7.869 1.616 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.120 5.704 1.102 1.00 0.24 C ATOM 0 H ALA B 81 -3.520 5.252 -1.226 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.887 7.671 0.294 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.135 6.040 2.139 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.142 5.609 0.736 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.622 4.737 1.042 1.00 0.24 H new ATOM 2818 N LEU B 82 -0.988 6.188 0.360 1.00 0.22 N ATOM 2819 CA LEU B 82 0.404 6.394 0.757 1.00 0.23 C ATOM 2820 C LEU B 82 0.969 7.615 0.051 1.00 0.24 C ATOM 2821 O LEU B 82 1.800 8.350 0.601 1.00 0.30 O ATOM 2822 CB LEU B 82 1.254 5.167 0.427 1.00 0.25 C ATOM 2823 CG LEU B 82 0.914 3.896 1.206 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.785 2.750 0.738 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.087 4.116 2.697 1.00 0.32 C ATOM 0 H LEU B 82 -1.132 5.404 -0.276 1.00 0.22 H new ATOM 0 HA LEU B 82 0.431 6.552 1.835 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.156 4.956 -0.638 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.300 5.413 0.608 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.130 3.645 1.018 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.535 1.850 1.299 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.615 2.574 -0.324 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.833 3.000 0.901 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.840 3.199 3.231 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.121 4.391 2.907 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.425 4.917 3.026 1.00 0.32 H new ATOM 2837 N LYS B 83 0.530 7.816 -1.183 1.00 0.26 N ATOM 2838 CA LYS B 83 0.828 9.038 -1.905 1.00 0.33 C ATOM 2839 C LYS B 83 0.211 10.215 -1.171 1.00 0.31 C ATOM 2840 O LYS B 83 0.882 11.192 -0.889 1.00 0.44 O ATOM 2841 CB LYS B 83 0.291 8.968 -3.334 1.00 0.42 C ATOM 2842 CG LYS B 83 1.267 8.396 -4.348 1.00 0.66 C ATOM 2843 CD LYS B 83 1.671 9.417 -5.399 1.00 1.04 C ATOM 2844 CE LYS B 83 2.688 10.416 -4.868 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.084 11.393 -5.915 1.00 1.67 N ATOM 0 H LYS B 83 -0.035 7.145 -1.704 1.00 0.26 H new ATOM 0 HA LYS B 83 1.909 9.165 -1.957 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.615 8.362 -3.339 1.00 0.42 H new ATOM 0 HB3 LYS B 83 0.005 9.971 -3.650 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.157 8.039 -3.831 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.815 7.533 -4.837 1.00 0.66 H new ATOM 0 HD2 LYS B 83 2.089 8.901 -6.263 1.00 1.04 H new ATOM 0 HD3 LYS B 83 0.785 9.951 -5.744 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.268 10.946 -4.013 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.570 9.885 -4.511 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.108 11.327 -6.082 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.575 11.182 -6.797 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.846 12.355 -5.600 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.064 10.087 -0.835 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.780 11.110 -0.084 1.00 0.35 C ATOM 2861 C ALA B 84 -1.186 11.321 1.310 1.00 0.33 C ATOM 2862 O ALA B 84 -1.401 12.356 1.926 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.247 10.741 0.024 1.00 0.48 C ATOM 0 H ALA B 84 -1.631 9.274 -1.074 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.678 12.049 -0.627 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.775 11.511 0.587 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.677 10.662 -0.975 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.345 9.785 0.538 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.472 10.326 1.816 1.00 0.30 N ATOM 2870 CA ALA B 85 0.142 10.427 3.135 1.00 0.38 C ATOM 2871 C ALA B 85 1.405 11.286 3.108 1.00 0.44 C ATOM 2872 O ALA B 85 1.496 12.285 3.817 1.00 0.57 O ATOM 2873 CB ALA B 85 0.451 9.043 3.682 1.00 0.42 C ATOM 0 H ALA B 85 -0.303 9.442 1.336 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.573 10.917 3.795 1.00 0.38 H new ATOM 0 HB1 ALA B 85 0.909 9.135 4.667 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.472 8.469 3.763 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.138 8.531 3.009 1.00 0.42 H new ATOM 2879 N HIS B 86 2.383 10.904 2.292 1.00 0.44 N ATOM 2880 CA HIS B 86 3.653 11.624 2.248 1.00 0.59 C ATOM 2881 C HIS B 86 3.539 12.865 1.358 1.00 0.63 C ATOM 2882 O HIS B 86 4.009 13.943 1.701 1.00 0.72 O ATOM 2883 CB HIS B 86 4.784 10.692 1.765 1.00 0.69 C ATOM 2884 CG HIS B 86 4.872 10.499 0.277 1.00 1.28 C ATOM 2885 ND1 HIS B 86 4.109 9.581 -0.417 1.00 2.06 N ATOM 2886 CD2 HIS B 86 5.648 11.115 -0.650 1.00 2.11 C ATOM 2887 CE1 HIS B 86 4.413 9.642 -1.701 1.00 2.66 C ATOM 2888 NE2 HIS B 86 5.341 10.564 -1.867 1.00 2.68 N ATOM 0 H HIS B 86 2.323 10.108 1.657 1.00 0.44 H new ATOM 0 HA HIS B 86 3.899 11.958 3.256 1.00 0.59 H new ATOM 0 HB2 HIS B 86 5.735 11.090 2.119 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.652 9.717 2.233 1.00 0.69 H new ATOM 0 HD1 HIS B 86 3.419 8.954 -0.003 1.00 2.06 H new ATOM 0 HD2 HIS B 86 6.372 11.894 -0.464 1.00 2.11 H new ATOM 0 HE1 HIS B 86 3.975 9.039 -2.483 1.00 2.66 H new ATOM 2897 N TYR B 87 2.875 12.686 0.229 1.00 0.58 N ATOM 2898 CA TYR B 87 2.675 13.731 -0.768 1.00 0.65 C ATOM 2899 C TYR B 87 1.385 14.482 -0.459 1.00 0.62 C ATOM 2900 O TYR B 87 0.716 14.967 -1.367 1.00 0.66 O ATOM 2901 CB TYR B 87 2.656 13.144 -2.185 1.00 0.69 C ATOM 2902 CG TYR B 87 2.936 14.159 -3.273 1.00 0.87 C ATOM 2903 CD1 TYR B 87 4.084 14.939 -3.235 1.00 1.43 C ATOM 2904 CD2 TYR B 87 2.059 14.334 -4.336 1.00 1.63 C ATOM 2905 CE1 TYR B 87 4.351 15.866 -4.223 1.00 1.54 C ATOM 2906 CE2 TYR B 87 2.321 15.259 -5.331 1.00 1.80 C ATOM 2907 CZ TYR B 87 3.469 16.022 -5.269 1.00 1.29 C ATOM 2908 OH TYR B 87 3.742 16.939 -6.259 1.00 1.51 O ATOM 0 H TYR B 87 2.451 11.795 -0.028 1.00 0.58 H new ATOM 0 HA TYR B 87 3.509 14.432 -0.725 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.396 12.346 -2.247 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.682 12.690 -2.367 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.780 14.819 -2.418 1.00 1.43 H new ATOM 0 HD2 TYR B 87 1.159 13.739 -4.387 1.00 1.63 H new ATOM 0 HE1 TYR B 87 5.248 16.466 -4.176 1.00 1.54 H new ATOM 0 HE2 TYR B 87 1.630 15.383 -6.152 1.00 1.80 H new ATOM 0 HH TYR B 87 3.022 16.926 -6.924 1.00 1.51 H new ATOM 2918 N HIS B 88 1.000 14.414 0.822 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.252 14.963 1.391 1.00 0.62 C ATOM 2920 C HIS B 88 -0.627 16.399 0.982 1.00 0.70 C ATOM 2921 O HIS B 88 -1.409 17.043 1.678 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.185 14.902 2.926 1.00 0.65 C ATOM 2923 CG HIS B 88 1.002 15.602 3.527 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.003 14.935 4.198 1.00 2.37 N ATOM 2925 CD2 HIS B 88 1.336 16.913 3.569 1.00 2.40 C ATOM 2926 CE1 HIS B 88 2.897 15.803 4.628 1.00 3.26 C ATOM 2927 NE2 HIS B 88 2.518 17.010 4.260 1.00 3.27 N ATOM 0 H HIS B 88 1.575 13.955 1.528 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.033 14.331 0.969 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -1.095 15.341 3.334 1.00 0.65 H new ATOM 0 HB3 HIS B 88 -0.169 13.857 3.235 1.00 0.65 H new ATOM 0 HD1 HIS B 88 2.046 13.926 4.340 1.00 2.37 H new ATOM 0 HD2 HIS B 88 0.777 17.731 3.139 1.00 2.40 H new ATOM 0 HE1 HIS B 88 3.790 15.565 5.188 1.00 3.26 H new ATOM 2936 N THR B 89 -0.088 16.911 -0.103 1.00 0.73 N ATOM 2937 CA THR B 89 -0.523 18.196 -0.599 1.00 0.81 C ATOM 2938 C THR B 89 -1.922 18.040 -1.192 1.00 0.72 C ATOM 2939 O THR B 89 -2.827 18.811 -0.878 1.00 1.05 O ATOM 2940 CB THR B 89 0.473 18.785 -1.636 1.00 0.97 C ATOM 2941 OG1 THR B 89 -0.076 19.952 -2.259 1.00 1.27 O ATOM 2942 CG2 THR B 89 0.847 17.766 -2.704 1.00 0.90 C ATOM 0 H THR B 89 0.644 16.462 -0.653 1.00 0.73 H new ATOM 0 HA THR B 89 -0.553 18.907 0.227 1.00 0.81 H new ATOM 0 HB THR B 89 1.377 19.056 -1.091 1.00 0.97 H new ATOM 0 HG1 THR B 89 0.566 20.309 -2.908 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.545 18.218 -3.409 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.315 16.901 -2.234 1.00 0.90 H new ATOM 0 HG23 THR B 89 -0.051 17.449 -3.235 1.00 0.90 H new ATOM 2950 N HIS B 90 -2.099 16.980 -1.989 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.388 16.625 -2.596 1.00 0.65 C ATOM 2952 C HIS B 90 -3.318 15.214 -3.173 1.00 0.94 C ATOM 2953 O HIS B 90 -4.293 14.458 -3.129 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.787 17.567 -3.751 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.181 18.961 -3.357 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -5.377 19.272 -2.742 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -3.522 20.136 -3.504 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -5.433 20.574 -2.531 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -4.322 21.121 -2.984 1.00 3.47 N ATOM 0 H HIS B 90 -1.345 16.338 -2.233 1.00 0.66 H new ATOM 0 HA HIS B 90 -4.129 16.706 -1.801 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -2.951 17.630 -4.447 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.618 17.115 -4.292 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -2.547 20.272 -3.948 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -6.252 21.103 -2.065 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -4.095 22.115 -2.953 1.00 3.47 H new ATOM 2968 N LYS B 91 -2.151 14.899 -3.748 1.00 0.91 N ATOM 2969 CA LYS B 91 -1.939 13.708 -4.578 1.00 1.63 C ATOM 2970 C LYS B 91 -2.643 13.901 -5.913 1.00 2.59 C ATOM 2971 O LYS B 91 -2.042 13.777 -6.979 1.00 3.47 O ATOM 2972 CB LYS B 91 -2.434 12.414 -3.913 1.00 1.10 C ATOM 2973 CG LYS B 91 -2.341 11.204 -4.836 1.00 1.28 C ATOM 2974 CD LYS B 91 -3.463 10.194 -4.611 1.00 0.87 C ATOM 2975 CE LYS B 91 -4.787 10.657 -5.217 1.00 0.78 C ATOM 2976 NZ LYS B 91 -5.402 11.800 -4.488 1.00 1.29 N ATOM 0 H LYS B 91 -1.314 15.474 -3.648 1.00 0.91 H new ATOM 0 HA LYS B 91 -0.864 13.596 -4.718 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -1.848 12.225 -3.014 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.469 12.546 -3.597 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -2.366 11.542 -5.872 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -1.381 10.711 -4.684 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -3.180 9.236 -5.048 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.593 10.030 -3.541 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -4.622 10.944 -6.256 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -5.487 9.821 -5.225 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -6.412 11.861 -4.727 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -5.296 11.656 -3.464 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -4.928 12.683 -4.764 1.00 1.29 H new ATOM 2990 N GLU B 92 -3.916 14.244 -5.821 1.00 2.69 N ATOM 2991 CA GLU B 92 -4.775 14.464 -6.974 1.00 3.81 C ATOM 2992 C GLU B 92 -6.187 14.734 -6.485 1.00 4.36 C ATOM 2993 O GLU B 92 -6.940 13.761 -6.266 1.00 4.92 O ATOM 2994 CB GLU B 92 -4.768 13.258 -7.925 1.00 4.66 C ATOM 2995 CG GLU B 92 -5.554 13.482 -9.207 1.00 5.74 C ATOM 2996 CD GLU B 92 -5.061 14.676 -9.998 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -4.087 14.527 -10.764 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -5.653 15.767 -9.868 1.00 7.08 O ATOM 2999 OXT GLU B 92 -6.526 15.914 -6.281 1.00 4.64 O ATOM 0 H GLU B 92 -4.391 14.380 -4.929 1.00 2.69 H new ATOM 0 HA GLU B 92 -4.397 15.320 -7.533 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -3.737 13.015 -8.180 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -5.180 12.394 -7.404 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -5.489 12.589 -9.828 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -6.607 13.624 -8.962 1.00 5.74 H new TER 3006 GLU B 92