USER MOD reduce.3.24.130724 H: found=0, std=0, add=1704, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1704 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 44 THR OG1 : rot -152:sc= 1.25 USER MOD Set 1.2: D 53 THR OG1 : rot -140:sc= 0.742 USER MOD Set 2.1: B 3 TYR OH : rot 15:sc= -4.42! USER MOD Set 2.2: C 50 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 3.1: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: C 2 GLN : amide:sc= -0.755 K(o=-0.75,f=-1.7!) USER MOD Set 4.1: B 53 THR OG1 : rot -140:sc= 0.909 USER MOD Set 4.2: D 44 THR OG1 : rot -135:sc= 1.1 USER MOD Set 5.1: B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: C 3 TYR OH : rot -49:sc= -2.52 USER MOD Set 6.1: A 53 THR OG1 : rot -140:sc= 0.97 USER MOD Set 6.2: C 44 THR OG1 : rot -146:sc= 1.15 USER MOD Set 7.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: D 3 TYR OH : rot -49:sc= -1.68 USER MOD Set 8.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: D 2 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.4) USER MOD Set 9.1: A 44 THR OG1 : rot -115:sc= 1.2 USER MOD Set 9.2: C 53 THR OG1 : rot -150:sc= 0.986 USER MOD Set10.1: A 3 TYR OH : rot 15:sc= -3.96! USER MOD Set10.2: D 50 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set11.1: A 2 GLN : amide:sc= -0.265 K(o=-0.26,f=-0.81) USER MOD Set11.2: D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.932 (180deg=-1.26) USER MOD Single : A 1 MET N :NH3+ 144:sc= -1.61! (180deg=-2.04!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0899 K(o=-0.09,f=-1.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.3!) USER MOD Single : A 35 ASN : amide:sc= -4.57! K(o=-4.6!,f=-2.6) USER MOD Single : A 37 ASN : amide:sc= -9.45! C(o=-9.4!,f=-11!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.93 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.325 USER MOD Single : B 1 MET CE :methyl 173:sc= -0.969 (180deg=-1.34) USER MOD Single : B 1 MET N :NH3+ 146:sc= -2.04! (180deg=-2.53!) USER MOD Single : B 2 GLN : amide:sc= -0.275 K(o=-0.28,f=-0.88) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.9!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0786) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 THR OG1 : rot -107:sc= 0.545 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.574 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.2!) USER MOD Single : B 35 ASN : amide:sc= -4.5! K(o=-4.5!,f=-2.7) USER MOD Single : B 37 ASN : amide:sc= -7.87! C(o=-7.9!,f=-10!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 180:sc= -1.07 USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.41 USER MOD Single : C 1 MET CE :methyl 171:sc= -1.1 (180deg=-1.25) USER MOD Single : C 1 MET N :NH3+ 153:sc= -2.66! (180deg=-3.03!) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 8 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.4!) USER MOD Single : C 10 LYS NZ :NH3+ -165:sc= -0.107 (180deg=-0.625) USER MOD Single : C 11 THR OG1 : rot 56:sc= 0.103 USER MOD Single : C 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 16 THR OG1 : rot -50:sc= 1.07 USER MOD Single : C 17 THR OG1 : rot 180:sc= 0 USER MOD Single : C 18 THR OG1 : rot 180:sc= 0 USER MOD Single : C 25 THR OG1 : rot 175:sc= -0.687 USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 32 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.4!) USER MOD Single : C 35 ASN : amide:sc= -4.61! K(o=-4.6!,f=-2.7) USER MOD Single : C 37 ASN : amide:sc= -8.15! C(o=-8.1!,f=-9.9!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 180:sc= -1.04 USER MOD Single : C 55 THR OG1 : rot -160:sc= -0.53 USER MOD Single : D 1 MET CE :methyl 173:sc= -0.861 (180deg=-1.18) USER MOD Single : D 1 MET N :NH3+ 145:sc= -1.5 (180deg=-1.81) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 8 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.89) USER MOD Single : D 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 11 THR OG1 : rot 180:sc= 0.06 USER MOD Single : D 13 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.307) USER MOD Single : D 16 THR OG1 : rot 180:sc= 0 USER MOD Single : D 17 THR OG1 : rot 180:sc= 0.00773 USER MOD Single : D 18 THR OG1 : rot 180:sc= 0 USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.645 USER MOD Single : D 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 32 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.4!) USER MOD Single : D 35 ASN : amide:sc= -4.55! K(o=-4.6!,f=-2.8) USER MOD Single : D 37 ASN : amide:sc= -8.19! C(o=-8.2!,f=-10!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 180:sc= -1.23 USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.431 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.468 20.405 -0.352 1.00 0.34 N ATOM 2 CA MET A 1 9.699 19.714 0.710 1.00 0.24 C ATOM 3 C MET A 1 8.232 19.588 0.340 1.00 0.23 C ATOM 4 O MET A 1 7.607 20.547 -0.108 1.00 0.23 O ATOM 5 CB MET A 1 9.850 20.498 2.017 1.00 0.31 C ATOM 6 CG MET A 1 11.098 20.140 2.810 1.00 0.87 C ATOM 7 SD MET A 1 10.738 19.120 4.253 1.00 1.00 S ATOM 8 CE MET A 1 9.645 17.894 3.541 1.00 0.65 C ATOM 0 H1 MET A 1 11.203 20.999 0.082 1.00 0.34 H new ATOM 0 H2 MET A 1 10.915 19.700 -0.972 1.00 0.34 H new ATOM 0 H3 MET A 1 9.827 21.002 -0.913 1.00 0.34 H new ATOM 0 HA MET A 1 10.092 18.705 0.831 1.00 0.24 H new ATOM 0 HB2 MET A 1 9.869 21.564 1.790 1.00 0.31 H new ATOM 0 HB3 MET A 1 8.973 20.320 2.639 1.00 0.31 H new ATOM 0 HG2 MET A 1 11.796 19.611 2.161 1.00 0.87 H new ATOM 0 HG3 MET A 1 11.594 21.056 3.132 1.00 0.87 H new ATOM 0 HE1 MET A 1 9.548 17.051 4.226 1.00 0.65 H new ATOM 0 HE2 MET A 1 8.664 18.337 3.370 1.00 0.65 H new ATOM 0 HE3 MET A 1 10.056 17.546 2.593 1.00 0.65 H new ATOM 20 N GLN A 2 7.692 18.396 0.539 1.00 0.21 N ATOM 21 CA GLN A 2 6.297 18.131 0.237 1.00 0.20 C ATOM 22 C GLN A 2 5.433 18.381 1.464 1.00 0.20 C ATOM 23 O GLN A 2 5.661 17.793 2.522 1.00 0.21 O ATOM 24 CB GLN A 2 6.126 16.687 -0.233 1.00 0.22 C ATOM 25 CG GLN A 2 4.836 16.443 -0.997 1.00 0.86 C ATOM 26 CD GLN A 2 4.989 15.380 -2.066 1.00 1.12 C ATOM 27 OE1 GLN A 2 4.551 15.556 -3.203 1.00 1.77 O ATOM 28 NE2 GLN A 2 5.614 14.265 -1.704 1.00 1.54 N ATOM 0 H GLN A 2 8.202 17.595 0.910 1.00 0.21 H new ATOM 0 HA GLN A 2 5.980 18.805 -0.559 1.00 0.20 H new ATOM 0 HB2 GLN A 2 6.970 16.418 -0.868 1.00 0.22 H new ATOM 0 HB3 GLN A 2 6.156 16.026 0.633 1.00 0.22 H new ATOM 0 HG2 GLN A 2 4.055 16.142 -0.299 1.00 0.86 H new ATOM 0 HG3 GLN A 2 4.509 17.374 -1.459 1.00 0.86 H new ATOM 0 HE21 GLN A 2 5.961 14.162 -0.750 1.00 1.54 H new ATOM 0 HE22 GLN A 2 5.747 13.512 -2.380 1.00 1.54 H new ATOM 37 N TYR A 3 4.443 19.253 1.323 1.00 0.19 N ATOM 38 CA TYR A 3 3.554 19.568 2.431 1.00 0.20 C ATOM 39 C TYR A 3 2.165 18.979 2.219 1.00 0.22 C ATOM 40 O TYR A 3 1.563 19.123 1.154 1.00 0.21 O ATOM 41 CB TYR A 3 3.472 21.080 2.654 1.00 0.22 C ATOM 42 CG TYR A 3 4.636 21.630 3.449 1.00 0.22 C ATOM 43 CD1 TYR A 3 4.647 21.546 4.836 1.00 0.24 C ATOM 44 CD2 TYR A 3 5.721 22.227 2.819 1.00 0.26 C ATOM 45 CE1 TYR A 3 5.706 22.041 5.573 1.00 0.24 C ATOM 46 CE2 TYR A 3 6.785 22.723 3.550 1.00 0.28 C ATOM 47 CZ TYR A 3 6.772 22.628 4.926 1.00 0.24 C ATOM 48 OH TYR A 3 7.828 23.122 5.657 1.00 0.27 O ATOM 0 H TYR A 3 4.237 19.752 0.457 1.00 0.19 H new ATOM 0 HA TYR A 3 3.974 19.111 3.327 1.00 0.20 H new ATOM 0 HB2 TYR A 3 3.432 21.582 1.687 1.00 0.22 H new ATOM 0 HB3 TYR A 3 2.543 21.314 3.174 1.00 0.22 H new ATOM 0 HD1 TYR A 3 3.814 21.086 5.347 1.00 0.24 H new ATOM 0 HD2 TYR A 3 5.734 22.305 1.742 1.00 0.26 H new ATOM 0 HE1 TYR A 3 5.698 21.968 6.651 1.00 0.24 H new ATOM 0 HE2 TYR A 3 7.622 23.183 3.046 1.00 0.28 H new ATOM 0 HH TYR A 3 7.784 22.773 6.572 1.00 0.27 H new ATOM 58 N LYS A 4 1.679 18.307 3.254 1.00 0.24 N ATOM 59 CA LYS A 4 0.370 17.670 3.218 1.00 0.26 C ATOM 60 C LYS A 4 -0.634 18.466 4.043 1.00 0.29 C ATOM 61 O LYS A 4 -0.409 18.731 5.224 1.00 0.35 O ATOM 62 CB LYS A 4 0.462 16.238 3.757 1.00 0.29 C ATOM 63 CG LYS A 4 0.667 15.187 2.677 1.00 0.72 C ATOM 64 CD LYS A 4 0.242 13.806 3.158 1.00 0.79 C ATOM 65 CE LYS A 4 0.209 12.797 2.020 1.00 1.45 C ATOM 66 NZ LYS A 4 0.171 11.397 2.527 1.00 1.62 N ATOM 0 H LYS A 4 2.177 18.189 4.136 1.00 0.24 H new ATOM 0 HA LYS A 4 0.031 17.641 2.182 1.00 0.26 H new ATOM 0 HB2 LYS A 4 1.286 16.180 4.468 1.00 0.29 H new ATOM 0 HB3 LYS A 4 -0.451 16.007 4.307 1.00 0.29 H new ATOM 0 HG2 LYS A 4 0.094 15.458 1.790 1.00 0.72 H new ATOM 0 HG3 LYS A 4 1.716 15.165 2.383 1.00 0.72 H new ATOM 0 HD2 LYS A 4 0.931 13.462 3.929 1.00 0.79 H new ATOM 0 HD3 LYS A 4 -0.745 13.869 3.617 1.00 0.79 H new ATOM 0 HE2 LYS A 4 -0.665 12.982 1.395 1.00 1.45 H new ATOM 0 HE3 LYS A 4 1.087 12.932 1.388 1.00 1.45 H new ATOM 0 HZ1 LYS A 4 0.149 10.737 1.723 1.00 1.62 H new ATOM 0 HZ2 LYS A 4 1.017 11.213 3.103 1.00 1.62 H new ATOM 0 HZ3 LYS A 4 -0.680 11.262 3.109 1.00 1.62 H new ATOM 80 N VAL A 5 -1.744 18.844 3.416 1.00 0.26 N ATOM 81 CA VAL A 5 -2.779 19.607 4.099 1.00 0.28 C ATOM 82 C VAL A 5 -4.168 19.172 3.651 1.00 0.26 C ATOM 83 O VAL A 5 -4.489 19.200 2.463 1.00 0.26 O ATOM 84 CB VAL A 5 -2.631 21.119 3.856 1.00 0.30 C ATOM 85 CG1 VAL A 5 -3.570 21.894 4.768 1.00 0.33 C ATOM 86 CG2 VAL A 5 -1.191 21.560 4.064 1.00 0.34 C ATOM 0 H VAL A 5 -1.948 18.634 2.439 1.00 0.26 H new ATOM 0 HA VAL A 5 -2.658 19.407 5.164 1.00 0.28 H new ATOM 0 HB VAL A 5 -2.901 21.331 2.822 1.00 0.30 H new ATOM 0 HG11 VAL A 5 -3.455 22.962 4.586 1.00 0.33 H new ATOM 0 HG12 VAL A 5 -4.600 21.600 4.565 1.00 0.33 H new ATOM 0 HG13 VAL A 5 -3.329 21.676 5.808 1.00 0.33 H new ATOM 0 HG21 VAL A 5 -1.110 22.632 3.887 1.00 0.34 H new ATOM 0 HG22 VAL A 5 -0.886 21.337 5.086 1.00 0.34 H new ATOM 0 HG23 VAL A 5 -0.543 21.027 3.368 1.00 0.34 H new ATOM 96 N ILE A 6 -4.989 18.779 4.614 1.00 0.29 N ATOM 97 CA ILE A 6 -6.349 18.346 4.336 1.00 0.30 C ATOM 98 C ILE A 6 -7.317 19.513 4.461 1.00 0.30 C ATOM 99 O ILE A 6 -7.482 20.084 5.541 1.00 0.36 O ATOM 100 CB ILE A 6 -6.785 17.227 5.299 1.00 0.36 C ATOM 101 CG1 ILE A 6 -5.675 16.182 5.439 1.00 0.39 C ATOM 102 CG2 ILE A 6 -8.072 16.583 4.814 1.00 0.38 C ATOM 103 CD1 ILE A 6 -5.908 15.197 6.564 1.00 0.49 C ATOM 0 H ILE A 6 -4.734 18.751 5.601 1.00 0.29 H new ATOM 0 HA ILE A 6 -6.367 17.962 3.316 1.00 0.30 H new ATOM 0 HB ILE A 6 -6.970 17.664 6.280 1.00 0.36 H new ATOM 0 HG12 ILE A 6 -5.583 15.634 4.501 1.00 0.39 H new ATOM 0 HG13 ILE A 6 -4.726 16.692 5.605 1.00 0.39 H new ATOM 0 HG21 ILE A 6 -8.367 15.794 5.506 1.00 0.38 H new ATOM 0 HG22 ILE A 6 -8.859 17.335 4.765 1.00 0.38 H new ATOM 0 HG23 ILE A 6 -7.915 16.157 3.823 1.00 0.38 H new ATOM 0 HD11 ILE A 6 -5.082 14.487 6.603 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -5.970 15.734 7.511 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -6.840 14.660 6.390 1.00 0.49 H new ATOM 115 N LEU A 7 -7.966 19.851 3.356 1.00 0.30 N ATOM 116 CA LEU A 7 -8.936 20.934 3.330 1.00 0.32 C ATOM 117 C LEU A 7 -10.265 20.383 2.838 1.00 0.49 C ATOM 118 O LEU A 7 -10.388 19.983 1.681 1.00 0.66 O ATOM 119 CB LEU A 7 -8.449 22.072 2.428 1.00 0.38 C ATOM 120 CG LEU A 7 -7.835 23.261 3.169 1.00 0.39 C ATOM 121 CD1 LEU A 7 -6.328 23.093 3.300 1.00 0.94 C ATOM 122 CD2 LEU A 7 -8.168 24.565 2.458 1.00 0.43 C ATOM 0 H LEU A 7 -7.836 19.385 2.458 1.00 0.30 H new ATOM 0 HA LEU A 7 -9.060 21.342 4.333 1.00 0.32 H new ATOM 0 HB2 LEU A 7 -7.710 21.674 1.733 1.00 0.38 H new ATOM 0 HB3 LEU A 7 -9.289 22.428 1.831 1.00 0.38 H new ATOM 0 HG LEU A 7 -8.263 23.297 4.171 1.00 0.39 H new ATOM 0 HD11 LEU A 7 -5.911 23.949 3.830 1.00 0.94 H new ATOM 0 HD12 LEU A 7 -6.111 22.181 3.856 1.00 0.94 H new ATOM 0 HD13 LEU A 7 -5.882 23.028 2.308 1.00 0.94 H new ATOM 0 HD21 LEU A 7 -7.723 25.399 3.000 1.00 0.43 H new ATOM 0 HD22 LEU A 7 -7.771 24.538 1.443 1.00 0.43 H new ATOM 0 HD23 LEU A 7 -9.250 24.693 2.421 1.00 0.43 H new ATOM 134 N ASN A 8 -11.254 20.349 3.721 1.00 0.54 N ATOM 135 CA ASN A 8 -12.567 19.827 3.377 1.00 0.75 C ATOM 136 C ASN A 8 -13.611 20.358 4.349 1.00 0.81 C ATOM 137 O ASN A 8 -13.792 19.799 5.428 1.00 1.52 O ATOM 138 CB ASN A 8 -12.540 18.299 3.432 1.00 1.02 C ATOM 139 CG ASN A 8 -13.563 17.653 2.521 1.00 1.71 C ATOM 140 OD1 ASN A 8 -13.907 18.191 1.469 1.00 2.49 O ATOM 141 ND2 ASN A 8 -14.052 16.485 2.924 1.00 2.27 N ATOM 0 H ASN A 8 -11.170 20.678 4.683 1.00 0.54 H new ATOM 0 HA ASN A 8 -12.827 20.149 2.369 1.00 0.75 H new ATOM 0 HB2 ASN A 8 -11.545 17.949 3.157 1.00 1.02 H new ATOM 0 HB3 ASN A 8 -12.719 17.975 4.457 1.00 1.02 H new ATOM 0 HD21 ASN A 8 -14.742 15.997 2.353 1.00 2.27 H new ATOM 0 HD22 ASN A 8 -13.737 16.077 3.804 1.00 2.27 H new ATOM 148 N GLY A 9 -14.285 21.439 3.978 1.00 1.27 N ATOM 149 CA GLY A 9 -15.291 22.015 4.854 1.00 1.52 C ATOM 150 C GLY A 9 -16.457 21.074 5.109 1.00 1.94 C ATOM 151 O GLY A 9 -17.585 21.352 4.704 1.00 2.69 O ATOM 0 H GLY A 9 -14.155 21.926 3.091 1.00 1.27 H new ATOM 0 HA2 GLY A 9 -14.829 22.280 5.805 1.00 1.52 H new ATOM 0 HA3 GLY A 9 -15.665 22.939 4.412 1.00 1.52 H new ATOM 155 N LYS A 10 -16.186 19.959 5.785 1.00 1.84 N ATOM 156 CA LYS A 10 -17.221 18.979 6.092 1.00 2.28 C ATOM 157 C LYS A 10 -18.115 19.472 7.222 1.00 2.48 C ATOM 158 O LYS A 10 -17.702 20.287 8.047 1.00 2.88 O ATOM 159 CB LYS A 10 -16.594 17.634 6.473 1.00 2.88 C ATOM 160 CG LYS A 10 -17.447 16.435 6.089 1.00 3.58 C ATOM 161 CD LYS A 10 -16.957 15.158 6.756 1.00 4.29 C ATOM 162 CE LYS A 10 -18.062 14.117 6.846 1.00 5.34 C ATOM 163 NZ LYS A 10 -17.907 13.240 8.040 1.00 5.86 N ATOM 0 H LYS A 10 -15.258 19.714 6.130 1.00 1.84 H new ATOM 0 HA LYS A 10 -17.830 18.844 5.198 1.00 2.28 H new ATOM 0 HB2 LYS A 10 -15.621 17.547 5.990 1.00 2.88 H new ATOM 0 HB3 LYS A 10 -16.419 17.616 7.549 1.00 2.88 H new ATOM 0 HG2 LYS A 10 -18.483 16.620 6.373 1.00 3.58 H new ATOM 0 HG3 LYS A 10 -17.431 16.309 5.006 1.00 3.58 H new ATOM 0 HD2 LYS A 10 -16.117 14.751 6.193 1.00 4.29 H new ATOM 0 HD3 LYS A 10 -16.589 15.387 7.756 1.00 4.29 H new ATOM 0 HE2 LYS A 10 -19.029 14.618 6.887 1.00 5.34 H new ATOM 0 HE3 LYS A 10 -18.058 13.505 5.944 1.00 5.34 H new ATOM 0 HZ1 LYS A 10 -18.680 12.545 8.063 1.00 5.86 H new ATOM 0 HZ2 LYS A 10 -16.995 12.742 7.989 1.00 5.86 H new ATOM 0 HZ3 LYS A 10 -17.937 13.820 8.903 1.00 5.86 H new ATOM 177 N THR A 11 -19.343 18.969 7.254 1.00 2.85 N ATOM 178 CA THR A 11 -20.301 19.354 8.281 1.00 3.48 C ATOM 179 C THR A 11 -21.131 18.152 8.721 1.00 3.95 C ATOM 180 O THR A 11 -21.551 17.342 7.895 1.00 4.34 O ATOM 181 CB THR A 11 -21.219 20.460 7.761 1.00 4.04 C ATOM 182 OG1 THR A 11 -22.326 20.643 8.625 1.00 4.31 O ATOM 183 CG2 THR A 11 -21.758 20.185 6.374 1.00 4.78 C ATOM 0 H THR A 11 -19.699 18.292 6.579 1.00 2.85 H new ATOM 0 HA THR A 11 -19.747 19.728 9.142 1.00 3.48 H new ATOM 0 HB THR A 11 -20.599 21.356 7.722 1.00 4.04 H new ATOM 0 HG1 THR A 11 -22.900 21.356 8.275 1.00 4.31 H new ATOM 0 HG21 THR A 11 -22.402 21.008 6.064 1.00 4.78 H new ATOM 0 HG22 THR A 11 -20.928 20.090 5.673 1.00 4.78 H new ATOM 0 HG23 THR A 11 -22.332 19.259 6.384 1.00 4.78 H new ATOM 191 N LEU A 12 -21.362 18.040 10.024 1.00 4.39 N ATOM 192 CA LEU A 12 -22.141 16.933 10.566 1.00 5.16 C ATOM 193 C LEU A 12 -22.946 17.377 11.784 1.00 5.46 C ATOM 194 O LEU A 12 -22.779 16.845 12.882 1.00 5.86 O ATOM 195 CB LEU A 12 -21.223 15.766 10.937 1.00 5.85 C ATOM 196 CG LEU A 12 -19.864 16.165 11.513 1.00 6.26 C ATOM 197 CD1 LEU A 12 -20.041 17.058 12.731 1.00 6.85 C ATOM 198 CD2 LEU A 12 -19.054 14.928 11.868 1.00 6.88 C ATOM 0 H LEU A 12 -21.022 18.700 10.723 1.00 4.39 H new ATOM 0 HA LEU A 12 -22.839 16.602 9.797 1.00 5.16 H new ATOM 0 HB2 LEU A 12 -21.737 15.137 11.664 1.00 5.85 H new ATOM 0 HB3 LEU A 12 -21.058 15.157 10.048 1.00 5.85 H new ATOM 0 HG LEU A 12 -19.319 16.727 10.754 1.00 6.26 H new ATOM 0 HD11 LEU A 12 -19.063 17.331 13.127 1.00 6.85 H new ATOM 0 HD12 LEU A 12 -20.582 17.960 12.445 1.00 6.85 H new ATOM 0 HD13 LEU A 12 -20.605 16.523 13.495 1.00 6.85 H new ATOM 0 HD21 LEU A 12 -18.090 15.230 12.277 1.00 6.88 H new ATOM 0 HD22 LEU A 12 -19.594 14.340 12.610 1.00 6.88 H new ATOM 0 HD23 LEU A 12 -18.897 14.327 10.973 1.00 6.88 H new ATOM 210 N LYS A 13 -23.822 18.353 11.578 1.00 5.55 N ATOM 211 CA LYS A 13 -24.661 18.872 12.650 1.00 6.05 C ATOM 212 C LYS A 13 -25.947 19.441 12.099 1.00 6.33 C ATOM 213 O LYS A 13 -27.010 18.822 12.154 1.00 6.82 O ATOM 214 CB LYS A 13 -23.904 19.931 13.461 1.00 6.59 C ATOM 215 CG LYS A 13 -23.253 19.378 14.720 1.00 7.07 C ATOM 216 CD LYS A 13 -24.288 19.043 15.783 1.00 7.60 C ATOM 217 CE LYS A 13 -24.643 17.565 15.770 1.00 8.27 C ATOM 218 NZ LYS A 13 -25.028 17.074 17.122 1.00 8.89 N ATOM 0 H LYS A 13 -23.970 18.802 10.674 1.00 5.55 H new ATOM 0 HA LYS A 13 -24.914 18.046 13.314 1.00 6.05 H new ATOM 0 HB2 LYS A 13 -23.136 20.380 12.831 1.00 6.59 H new ATOM 0 HB3 LYS A 13 -24.594 20.728 13.738 1.00 6.59 H new ATOM 0 HG2 LYS A 13 -22.682 18.483 14.472 1.00 7.07 H new ATOM 0 HG3 LYS A 13 -22.547 20.108 15.116 1.00 7.07 H new ATOM 0 HD2 LYS A 13 -23.904 19.317 16.765 1.00 7.60 H new ATOM 0 HD3 LYS A 13 -25.187 19.636 15.616 1.00 7.60 H new ATOM 0 HE2 LYS A 13 -25.465 17.395 15.075 1.00 8.27 H new ATOM 0 HE3 LYS A 13 -23.792 16.991 15.404 1.00 8.27 H new ATOM 0 HZ1 LYS A 13 -25.263 16.062 17.070 1.00 8.89 H new ATOM 0 HZ2 LYS A 13 -24.235 17.212 17.780 1.00 8.89 H new ATOM 0 HZ3 LYS A 13 -25.856 17.604 17.461 1.00 8.89 H new ATOM 232 N GLY A 14 -25.820 20.620 11.571 1.00 6.30 N ATOM 233 CA GLY A 14 -26.949 21.319 10.987 1.00 6.79 C ATOM 234 C GLY A 14 -26.653 22.778 10.701 1.00 6.63 C ATOM 235 O GLY A 14 -27.018 23.296 9.645 1.00 6.96 O ATOM 0 H GLY A 14 -24.939 21.132 11.527 1.00 6.30 H new ATOM 0 HA2 GLY A 14 -27.237 20.823 10.060 1.00 6.79 H new ATOM 0 HA3 GLY A 14 -27.801 21.252 11.663 1.00 6.79 H new ATOM 239 N GLU A 15 -25.996 23.445 11.643 1.00 6.34 N ATOM 240 CA GLU A 15 -25.660 24.855 11.486 1.00 6.35 C ATOM 241 C GLU A 15 -24.248 25.028 10.937 1.00 5.98 C ATOM 242 O GLU A 15 -23.285 25.134 11.696 1.00 5.76 O ATOM 243 CB GLU A 15 -25.793 25.582 12.825 1.00 6.51 C ATOM 244 CG GLU A 15 -27.233 25.762 13.276 1.00 6.89 C ATOM 245 CD GLU A 15 -27.439 27.032 14.078 1.00 7.36 C ATOM 246 OE1 GLU A 15 -26.443 27.565 14.612 1.00 7.54 O ATOM 247 OE2 GLU A 15 -28.595 27.495 14.171 1.00 7.82 O ATOM 0 H GLU A 15 -25.686 23.032 12.523 1.00 6.34 H new ATOM 0 HA GLU A 15 -26.359 25.289 10.771 1.00 6.35 H new ATOM 0 HB2 GLU A 15 -25.249 25.025 13.588 1.00 6.51 H new ATOM 0 HB3 GLU A 15 -25.320 26.561 12.747 1.00 6.51 H new ATOM 0 HG2 GLU A 15 -27.884 25.779 12.402 1.00 6.89 H new ATOM 0 HG3 GLU A 15 -27.531 24.904 13.879 1.00 6.89 H new ATOM 254 N THR A 16 -24.134 25.060 9.613 1.00 6.19 N ATOM 255 CA THR A 16 -22.841 25.227 8.961 1.00 6.05 C ATOM 256 C THR A 16 -22.347 26.662 9.103 1.00 5.56 C ATOM 257 O THR A 16 -21.180 26.901 9.415 1.00 5.95 O ATOM 258 CB THR A 16 -22.941 24.857 7.480 1.00 6.80 C ATOM 259 OG1 THR A 16 -21.673 24.948 6.855 1.00 7.21 O ATOM 260 CG2 THR A 16 -23.898 25.737 6.707 1.00 7.07 C ATOM 0 H THR A 16 -24.922 24.972 8.971 1.00 6.19 H new ATOM 0 HA THR A 16 -22.127 24.562 9.447 1.00 6.05 H new ATOM 0 HB THR A 16 -23.318 23.835 7.462 1.00 6.80 H new ATOM 0 HG1 THR A 16 -21.757 24.706 5.909 1.00 7.21 H new ATOM 0 HG21 THR A 16 -23.921 25.421 5.664 1.00 7.07 H new ATOM 0 HG22 THR A 16 -24.897 25.652 7.135 1.00 7.07 H new ATOM 0 HG23 THR A 16 -23.566 26.774 6.764 1.00 7.07 H new ATOM 268 N THR A 17 -23.247 27.615 8.873 1.00 5.08 N ATOM 269 CA THR A 17 -22.912 29.033 8.975 1.00 4.97 C ATOM 270 C THR A 17 -21.956 29.451 7.862 1.00 4.60 C ATOM 271 O THR A 17 -22.327 30.205 6.962 1.00 4.95 O ATOM 272 CB THR A 17 -22.290 29.341 10.339 1.00 5.22 C ATOM 273 OG1 THR A 17 -22.637 28.346 11.286 1.00 5.47 O ATOM 274 CG2 THR A 17 -22.717 30.680 10.902 1.00 6.02 C ATOM 0 H THR A 17 -24.216 27.430 8.614 1.00 5.08 H new ATOM 0 HA THR A 17 -23.835 29.602 8.869 1.00 4.97 H new ATOM 0 HB THR A 17 -21.214 29.363 10.167 1.00 5.22 H new ATOM 0 HG1 THR A 17 -22.228 28.560 12.150 1.00 5.47 H new ATOM 0 HG21 THR A 17 -22.241 30.836 11.870 1.00 6.02 H new ATOM 0 HG22 THR A 17 -22.418 31.474 10.218 1.00 6.02 H new ATOM 0 HG23 THR A 17 -23.800 30.695 11.024 1.00 6.02 H new ATOM 282 N THR A 18 -20.724 28.958 7.931 1.00 4.24 N ATOM 283 CA THR A 18 -19.714 29.283 6.931 1.00 4.07 C ATOM 284 C THR A 18 -18.626 28.218 6.891 1.00 3.40 C ATOM 285 O THR A 18 -18.709 27.201 7.579 1.00 3.58 O ATOM 286 CB THR A 18 -19.084 30.644 7.231 1.00 4.57 C ATOM 287 OG1 THR A 18 -18.345 30.598 8.438 1.00 4.59 O ATOM 288 CG2 THR A 18 -20.097 31.761 7.357 1.00 5.17 C ATOM 0 H THR A 18 -20.401 28.332 8.669 1.00 4.24 H new ATOM 0 HA THR A 18 -20.206 29.320 5.959 1.00 4.07 H new ATOM 0 HB THR A 18 -18.439 30.856 6.378 1.00 4.57 H new ATOM 0 HG1 THR A 18 -17.948 31.477 8.612 1.00 4.59 H new ATOM 0 HG21 THR A 18 -19.581 32.697 7.570 1.00 5.17 H new ATOM 0 HG22 THR A 18 -20.652 31.856 6.424 1.00 5.17 H new ATOM 0 HG23 THR A 18 -20.789 31.535 8.169 1.00 5.17 H new ATOM 296 N GLU A 19 -17.603 28.466 6.083 1.00 3.09 N ATOM 297 CA GLU A 19 -16.491 27.539 5.953 1.00 2.71 C ATOM 298 C GLU A 19 -15.164 28.288 5.972 1.00 1.82 C ATOM 299 O GLU A 19 -15.113 29.477 6.289 1.00 2.12 O ATOM 300 CB GLU A 19 -16.619 26.733 4.659 1.00 3.62 C ATOM 301 CG GLU A 19 -18.010 26.163 4.435 1.00 4.45 C ATOM 302 CD GLU A 19 -18.146 25.466 3.095 1.00 5.58 C ATOM 303 OE1 GLU A 19 -17.595 24.355 2.945 1.00 6.11 O ATOM 304 OE2 GLU A 19 -18.805 26.031 2.197 1.00 6.20 O ATOM 0 H GLU A 19 -17.522 29.304 5.507 1.00 3.09 H new ATOM 0 HA GLU A 19 -16.516 26.853 6.800 1.00 2.71 H new ATOM 0 HB2 GLU A 19 -16.356 27.371 3.815 1.00 3.62 H new ATOM 0 HB3 GLU A 19 -15.898 25.915 4.677 1.00 3.62 H new ATOM 0 HG2 GLU A 19 -18.242 25.457 5.233 1.00 4.45 H new ATOM 0 HG3 GLU A 19 -18.743 26.968 4.498 1.00 4.45 H new ATOM 311 N ALA A 20 -14.096 27.584 5.630 1.00 1.33 N ATOM 312 CA ALA A 20 -12.762 28.168 5.600 1.00 1.14 C ATOM 313 C ALA A 20 -11.810 27.252 4.846 1.00 1.01 C ATOM 314 O ALA A 20 -11.151 27.662 3.890 1.00 1.61 O ATOM 315 CB ALA A 20 -12.264 28.416 7.016 1.00 1.72 C ATOM 0 H ALA A 20 -14.127 26.599 5.367 1.00 1.33 H new ATOM 0 HA ALA A 20 -12.805 29.125 5.081 1.00 1.14 H new ATOM 0 HB1 ALA A 20 -11.266 28.853 6.979 1.00 1.72 H new ATOM 0 HB2 ALA A 20 -12.942 29.101 7.525 1.00 1.72 H new ATOM 0 HB3 ALA A 20 -12.227 27.472 7.559 1.00 1.72 H new ATOM 321 N VAL A 21 -11.764 26.002 5.284 1.00 0.60 N ATOM 322 CA VAL A 21 -10.920 24.988 4.667 1.00 0.43 C ATOM 323 C VAL A 21 -11.602 24.390 3.438 1.00 0.37 C ATOM 324 O VAL A 21 -11.887 23.193 3.392 1.00 0.38 O ATOM 325 CB VAL A 21 -10.603 23.858 5.665 1.00 0.48 C ATOM 326 CG1 VAL A 21 -9.638 24.337 6.737 1.00 1.14 C ATOM 327 CG2 VAL A 21 -11.885 23.339 6.296 1.00 1.18 C ATOM 0 H VAL A 21 -12.310 25.662 6.076 1.00 0.60 H new ATOM 0 HA VAL A 21 -9.992 25.473 4.365 1.00 0.43 H new ATOM 0 HB VAL A 21 -10.126 23.043 5.120 1.00 0.48 H new ATOM 0 HG11 VAL A 21 -9.430 23.522 7.430 1.00 1.14 H new ATOM 0 HG12 VAL A 21 -8.709 24.663 6.270 1.00 1.14 H new ATOM 0 HG13 VAL A 21 -10.083 25.170 7.281 1.00 1.14 H new ATOM 0 HG21 VAL A 21 -11.647 22.541 6.999 1.00 1.18 H new ATOM 0 HG22 VAL A 21 -12.385 24.151 6.824 1.00 1.18 H new ATOM 0 HG23 VAL A 21 -12.543 22.953 5.518 1.00 1.18 H new ATOM 337 N ASP A 22 -11.864 25.232 2.445 1.00 0.32 N ATOM 338 CA ASP A 22 -12.516 24.788 1.217 1.00 0.29 C ATOM 339 C ASP A 22 -11.499 24.529 0.123 1.00 0.26 C ATOM 340 O ASP A 22 -10.484 25.217 0.017 1.00 0.26 O ATOM 341 CB ASP A 22 -13.537 25.824 0.746 1.00 0.29 C ATOM 342 CG ASP A 22 -14.691 25.197 -0.013 1.00 0.76 C ATOM 343 OD1 ASP A 22 -14.538 24.051 -0.488 1.00 1.65 O ATOM 344 OD2 ASP A 22 -15.748 25.851 -0.132 1.00 1.32 O ATOM 0 H ASP A 22 -11.635 26.226 2.465 1.00 0.32 H new ATOM 0 HA ASP A 22 -13.034 23.854 1.434 1.00 0.29 H new ATOM 0 HB2 ASP A 22 -13.925 26.366 1.609 1.00 0.29 H new ATOM 0 HB3 ASP A 22 -13.041 26.555 0.108 1.00 0.29 H new ATOM 349 N ALA A 23 -11.792 23.534 -0.695 1.00 0.26 N ATOM 350 CA ALA A 23 -10.927 23.168 -1.799 1.00 0.26 C ATOM 351 C ALA A 23 -10.604 24.385 -2.661 1.00 0.25 C ATOM 352 O ALA A 23 -9.449 24.628 -3.007 1.00 0.25 O ATOM 353 CB ALA A 23 -11.605 22.086 -2.614 1.00 0.31 C ATOM 0 H ALA A 23 -12.632 22.961 -0.613 1.00 0.26 H new ATOM 0 HA ALA A 23 -9.982 22.787 -1.412 1.00 0.26 H new ATOM 0 HB1 ALA A 23 -10.963 21.803 -3.448 1.00 0.31 H new ATOM 0 HB2 ALA A 23 -11.787 21.216 -1.984 1.00 0.31 H new ATOM 0 HB3 ALA A 23 -12.554 22.460 -2.998 1.00 0.31 H new ATOM 359 N ALA A 24 -11.637 25.156 -2.990 1.00 0.27 N ATOM 360 CA ALA A 24 -11.472 26.360 -3.795 1.00 0.29 C ATOM 361 C ALA A 24 -10.666 27.410 -3.037 1.00 0.27 C ATOM 362 O ALA A 24 -9.928 28.193 -3.633 1.00 0.29 O ATOM 363 CB ALA A 24 -12.830 26.922 -4.193 1.00 0.34 C ATOM 0 H ALA A 24 -12.599 24.967 -2.710 1.00 0.27 H new ATOM 0 HA ALA A 24 -10.925 26.094 -4.699 1.00 0.29 H new ATOM 0 HB1 ALA A 24 -12.690 27.821 -4.794 1.00 0.34 H new ATOM 0 HB2 ALA A 24 -13.375 26.178 -4.774 1.00 0.34 H new ATOM 0 HB3 ALA A 24 -13.398 27.170 -3.296 1.00 0.34 H new ATOM 369 N THR A 25 -10.817 27.415 -1.716 1.00 0.25 N ATOM 370 CA THR A 25 -10.110 28.364 -0.864 1.00 0.26 C ATOM 371 C THR A 25 -8.605 28.135 -0.927 1.00 0.23 C ATOM 372 O THR A 25 -7.822 29.083 -0.968 1.00 0.23 O ATOM 373 CB THR A 25 -10.586 28.228 0.586 1.00 0.30 C ATOM 374 OG1 THR A 25 -11.970 28.514 0.694 1.00 0.38 O ATOM 375 CG2 THR A 25 -9.851 29.135 1.550 1.00 0.30 C ATOM 0 H THR A 25 -11.425 26.770 -1.211 1.00 0.25 H new ATOM 0 HA THR A 25 -10.327 29.369 -1.226 1.00 0.26 H new ATOM 0 HB THR A 25 -10.376 27.193 0.857 1.00 0.30 H new ATOM 0 HG1 THR A 25 -12.252 28.419 1.628 1.00 0.38 H new ATOM 0 HG21 THR A 25 -10.239 28.986 2.558 1.00 0.30 H new ATOM 0 HG22 THR A 25 -8.787 28.899 1.532 1.00 0.30 H new ATOM 0 HG23 THR A 25 -9.997 30.174 1.255 1.00 0.30 H new ATOM 383 N PHE A 26 -8.211 26.869 -0.936 1.00 0.22 N ATOM 384 CA PHE A 26 -6.800 26.519 -0.994 1.00 0.22 C ATOM 385 C PHE A 26 -6.193 26.954 -2.323 1.00 0.23 C ATOM 386 O PHE A 26 -5.163 27.625 -2.356 1.00 0.23 O ATOM 387 CB PHE A 26 -6.598 25.018 -0.780 1.00 0.26 C ATOM 388 CG PHE A 26 -5.204 24.674 -0.338 1.00 0.26 C ATOM 389 CD1 PHE A 26 -4.693 25.201 0.838 1.00 0.33 C ATOM 390 CD2 PHE A 26 -4.406 23.829 -1.091 1.00 0.28 C ATOM 391 CE1 PHE A 26 -3.412 24.895 1.254 1.00 0.37 C ATOM 392 CE2 PHE A 26 -3.123 23.517 -0.679 1.00 0.31 C ATOM 393 CZ PHE A 26 -2.625 24.051 0.494 1.00 0.34 C ATOM 0 H PHE A 26 -8.846 26.071 -0.904 1.00 0.22 H new ATOM 0 HA PHE A 26 -6.289 27.048 -0.190 1.00 0.22 H new ATOM 0 HB2 PHE A 26 -7.309 24.663 -0.033 1.00 0.26 H new ATOM 0 HB3 PHE A 26 -6.820 24.490 -1.708 1.00 0.26 H new ATOM 0 HD1 PHE A 26 -5.305 25.860 1.437 1.00 0.33 H new ATOM 0 HD2 PHE A 26 -4.789 23.409 -2.009 1.00 0.28 H new ATOM 0 HE1 PHE A 26 -3.026 25.315 2.171 1.00 0.37 H new ATOM 0 HE2 PHE A 26 -2.510 22.856 -1.274 1.00 0.31 H new ATOM 0 HZ PHE A 26 -1.623 23.809 0.816 1.00 0.34 H new ATOM 403 N GLU A 27 -6.843 26.574 -3.419 1.00 0.27 N ATOM 404 CA GLU A 27 -6.363 26.931 -4.751 1.00 0.31 C ATOM 405 C GLU A 27 -6.177 28.441 -4.880 1.00 0.30 C ATOM 406 O GLU A 27 -5.139 28.911 -5.348 1.00 0.30 O ATOM 407 CB GLU A 27 -7.338 26.430 -5.820 1.00 0.37 C ATOM 408 CG GLU A 27 -7.514 24.920 -5.825 1.00 1.06 C ATOM 409 CD GLU A 27 -8.521 24.454 -6.859 1.00 1.45 C ATOM 410 OE1 GLU A 27 -8.661 25.132 -7.898 1.00 1.83 O ATOM 411 OE2 GLU A 27 -9.169 23.411 -6.629 1.00 2.05 O ATOM 0 H GLU A 27 -7.700 26.021 -3.412 1.00 0.27 H new ATOM 0 HA GLU A 27 -5.395 26.452 -4.900 1.00 0.31 H new ATOM 0 HB2 GLU A 27 -8.309 26.900 -5.663 1.00 0.37 H new ATOM 0 HB3 GLU A 27 -6.984 26.749 -6.800 1.00 0.37 H new ATOM 0 HG2 GLU A 27 -6.552 24.446 -6.021 1.00 1.06 H new ATOM 0 HG3 GLU A 27 -7.835 24.592 -4.836 1.00 1.06 H new ATOM 418 N LYS A 28 -7.201 29.193 -4.491 1.00 0.29 N ATOM 419 CA LYS A 28 -7.167 30.648 -4.587 1.00 0.29 C ATOM 420 C LYS A 28 -6.121 31.268 -3.656 1.00 0.27 C ATOM 421 O LYS A 28 -5.279 32.046 -4.104 1.00 0.27 O ATOM 422 CB LYS A 28 -8.550 31.224 -4.272 1.00 0.30 C ATOM 423 CG LYS A 28 -8.648 32.725 -4.485 1.00 0.34 C ATOM 424 CD LYS A 28 -9.967 33.278 -3.967 1.00 0.47 C ATOM 425 CE LYS A 28 -11.110 32.990 -4.929 1.00 1.16 C ATOM 426 NZ LYS A 28 -12.095 34.107 -4.977 1.00 1.79 N ATOM 0 H LYS A 28 -8.067 28.818 -4.105 1.00 0.29 H new ATOM 0 HA LYS A 28 -6.884 30.900 -5.609 1.00 0.29 H new ATOM 0 HB2 LYS A 28 -9.292 30.728 -4.898 1.00 0.30 H new ATOM 0 HB3 LYS A 28 -8.802 30.995 -3.236 1.00 0.30 H new ATOM 0 HG2 LYS A 28 -7.820 33.220 -3.977 1.00 0.34 H new ATOM 0 HG3 LYS A 28 -8.550 32.950 -5.547 1.00 0.34 H new ATOM 0 HD2 LYS A 28 -10.190 32.839 -2.994 1.00 0.47 H new ATOM 0 HD3 LYS A 28 -9.878 34.354 -3.818 1.00 0.47 H new ATOM 0 HE2 LYS A 28 -10.708 32.818 -5.928 1.00 1.16 H new ATOM 0 HE3 LYS A 28 -11.616 32.073 -4.626 1.00 1.16 H new ATOM 0 HZ1 LYS A 28 -12.857 33.870 -5.644 1.00 1.79 H new ATOM 0 HZ2 LYS A 28 -12.498 34.255 -4.030 1.00 1.79 H new ATOM 0 HZ3 LYS A 28 -11.619 34.977 -5.291 1.00 1.79 H new ATOM 440 N VAL A 29 -6.169 30.930 -2.367 1.00 0.25 N ATOM 441 CA VAL A 29 -5.211 31.474 -1.402 1.00 0.24 C ATOM 442 C VAL A 29 -3.787 31.037 -1.699 1.00 0.23 C ATOM 443 O VAL A 29 -2.858 31.840 -1.646 1.00 0.23 O ATOM 444 CB VAL A 29 -5.534 31.047 0.045 1.00 0.23 C ATOM 445 CG1 VAL A 29 -4.511 31.632 1.021 1.00 0.24 C ATOM 446 CG2 VAL A 29 -6.948 31.458 0.427 1.00 0.24 C ATOM 0 H VAL A 29 -6.854 30.288 -1.969 1.00 0.25 H new ATOM 0 HA VAL A 29 -5.297 32.556 -1.498 1.00 0.24 H new ATOM 0 HB VAL A 29 -5.474 29.960 0.102 1.00 0.23 H new ATOM 0 HG11 VAL A 29 -4.756 31.319 2.036 1.00 0.24 H new ATOM 0 HG12 VAL A 29 -3.515 31.274 0.762 1.00 0.24 H new ATOM 0 HG13 VAL A 29 -4.532 32.720 0.961 1.00 0.24 H new ATOM 0 HG21 VAL A 29 -7.153 31.147 1.451 1.00 0.24 H new ATOM 0 HG22 VAL A 29 -7.045 32.541 0.351 1.00 0.24 H new ATOM 0 HG23 VAL A 29 -7.660 30.981 -0.247 1.00 0.24 H new ATOM 456 N VAL A 30 -3.621 29.758 -1.990 1.00 0.23 N ATOM 457 CA VAL A 30 -2.302 29.218 -2.265 1.00 0.24 C ATOM 458 C VAL A 30 -1.752 29.751 -3.573 1.00 0.24 C ATOM 459 O VAL A 30 -0.573 30.091 -3.662 1.00 0.25 O ATOM 460 CB VAL A 30 -2.311 27.676 -2.287 1.00 0.25 C ATOM 461 CG1 VAL A 30 -0.906 27.128 -2.482 1.00 0.26 C ATOM 462 CG2 VAL A 30 -2.928 27.127 -1.008 1.00 0.26 C ATOM 0 H VAL A 30 -4.379 29.078 -2.042 1.00 0.23 H new ATOM 0 HA VAL A 30 -1.651 29.544 -1.454 1.00 0.24 H new ATOM 0 HB VAL A 30 -2.920 27.352 -3.131 1.00 0.25 H new ATOM 0 HG11 VAL A 30 -0.939 26.039 -2.494 1.00 0.26 H new ATOM 0 HG12 VAL A 30 -0.503 27.489 -3.428 1.00 0.26 H new ATOM 0 HG13 VAL A 30 -0.268 27.463 -1.664 1.00 0.26 H new ATOM 0 HG21 VAL A 30 -2.926 26.038 -1.041 1.00 0.26 H new ATOM 0 HG22 VAL A 30 -2.347 27.465 -0.150 1.00 0.26 H new ATOM 0 HG23 VAL A 30 -3.953 27.485 -0.916 1.00 0.26 H new ATOM 472 N LYS A 31 -2.597 29.841 -4.587 1.00 0.24 N ATOM 473 CA LYS A 31 -2.161 30.351 -5.873 1.00 0.25 C ATOM 474 C LYS A 31 -1.892 31.853 -5.792 1.00 0.25 C ATOM 475 O LYS A 31 -0.859 32.332 -6.256 1.00 0.26 O ATOM 476 CB LYS A 31 -3.216 30.053 -6.940 1.00 0.26 C ATOM 477 CG LYS A 31 -2.849 30.558 -8.324 1.00 0.33 C ATOM 478 CD LYS A 31 -4.053 30.556 -9.250 1.00 0.65 C ATOM 479 CE LYS A 31 -3.668 30.938 -10.669 1.00 0.88 C ATOM 480 NZ LYS A 31 -4.861 31.067 -11.549 1.00 1.39 N ATOM 0 H LYS A 31 -3.579 29.570 -4.544 1.00 0.24 H new ATOM 0 HA LYS A 31 -1.232 29.853 -6.149 1.00 0.25 H new ATOM 0 HB2 LYS A 31 -3.377 28.976 -6.987 1.00 0.26 H new ATOM 0 HB3 LYS A 31 -4.162 30.503 -6.638 1.00 0.26 H new ATOM 0 HG2 LYS A 31 -2.446 31.568 -8.250 1.00 0.33 H new ATOM 0 HG3 LYS A 31 -2.063 29.932 -8.745 1.00 0.33 H new ATOM 0 HD2 LYS A 31 -4.511 29.567 -9.250 1.00 0.65 H new ATOM 0 HD3 LYS A 31 -4.802 31.254 -8.875 1.00 0.65 H new ATOM 0 HE2 LYS A 31 -3.122 31.881 -10.656 1.00 0.88 H new ATOM 0 HE3 LYS A 31 -2.994 30.185 -11.078 1.00 0.88 H new ATOM 0 HZ1 LYS A 31 -4.558 31.329 -12.509 1.00 1.39 H new ATOM 0 HZ2 LYS A 31 -5.368 30.160 -11.581 1.00 1.39 H new ATOM 0 HZ3 LYS A 31 -5.492 31.803 -11.173 1.00 1.39 H new ATOM 494 N GLN A 32 -2.818 32.591 -5.183 1.00 0.25 N ATOM 495 CA GLN A 32 -2.668 34.037 -5.031 1.00 0.26 C ATOM 496 C GLN A 32 -1.466 34.376 -4.154 1.00 0.25 C ATOM 497 O GLN A 32 -0.700 35.290 -4.462 1.00 0.24 O ATOM 498 CB GLN A 32 -3.935 34.655 -4.434 1.00 0.27 C ATOM 499 CG GLN A 32 -3.893 36.172 -4.382 1.00 0.30 C ATOM 500 CD GLN A 32 -4.588 36.814 -5.566 1.00 0.99 C ATOM 501 OE1 GLN A 32 -5.416 36.189 -6.229 1.00 1.82 O ATOM 502 NE2 GLN A 32 -4.250 38.068 -5.841 1.00 1.62 N ATOM 0 H GLN A 32 -3.679 32.213 -4.787 1.00 0.25 H new ATOM 0 HA GLN A 32 -2.504 34.456 -6.024 1.00 0.26 H new ATOM 0 HB2 GLN A 32 -4.797 34.342 -5.023 1.00 0.27 H new ATOM 0 HB3 GLN A 32 -4.080 34.267 -3.426 1.00 0.27 H new ATOM 0 HG2 GLN A 32 -4.363 36.514 -3.460 1.00 0.30 H new ATOM 0 HG3 GLN A 32 -2.855 36.502 -4.352 1.00 0.30 H new ATOM 0 HE21 GLN A 32 -3.559 38.548 -5.265 1.00 1.62 H new ATOM 0 HE22 GLN A 32 -4.682 38.552 -6.629 1.00 1.62 H new ATOM 511 N PHE A 33 -1.300 33.629 -3.067 1.00 0.25 N ATOM 512 CA PHE A 33 -0.189 33.838 -2.149 1.00 0.25 C ATOM 513 C PHE A 33 1.160 33.568 -2.796 1.00 0.24 C ATOM 514 O PHE A 33 2.102 34.346 -2.642 1.00 0.23 O ATOM 515 CB PHE A 33 -0.387 32.946 -0.919 1.00 0.26 C ATOM 516 CG PHE A 33 0.868 32.618 -0.163 1.00 0.26 C ATOM 517 CD1 PHE A 33 1.673 33.607 0.374 1.00 0.27 C ATOM 518 CD2 PHE A 33 1.230 31.294 0.009 1.00 0.27 C ATOM 519 CE1 PHE A 33 2.825 33.276 1.067 1.00 0.29 C ATOM 520 CE2 PHE A 33 2.376 30.957 0.701 1.00 0.29 C ATOM 521 CZ PHE A 33 3.176 31.948 1.229 1.00 0.30 C ATOM 0 H PHE A 33 -1.926 32.869 -2.800 1.00 0.25 H new ATOM 0 HA PHE A 33 -0.183 34.888 -1.855 1.00 0.25 H new ATOM 0 HB2 PHE A 33 -1.084 33.438 -0.240 1.00 0.26 H new ATOM 0 HB3 PHE A 33 -0.856 32.015 -1.236 1.00 0.26 H new ATOM 0 HD1 PHE A 33 1.401 34.645 0.252 1.00 0.27 H new ATOM 0 HD2 PHE A 33 0.608 30.514 -0.404 1.00 0.27 H new ATOM 0 HE1 PHE A 33 3.449 34.054 1.481 1.00 0.29 H new ATOM 0 HE2 PHE A 33 2.645 29.919 0.829 1.00 0.29 H new ATOM 0 HZ PHE A 33 4.075 31.688 1.768 1.00 0.30 H new ATOM 531 N PHE A 34 1.254 32.454 -3.498 1.00 0.25 N ATOM 532 CA PHE A 34 2.500 32.071 -4.146 1.00 0.25 C ATOM 533 C PHE A 34 2.755 32.830 -5.452 1.00 0.25 C ATOM 534 O PHE A 34 3.906 33.062 -5.818 1.00 0.25 O ATOM 535 CB PHE A 34 2.551 30.559 -4.345 1.00 0.29 C ATOM 536 CG PHE A 34 2.923 29.831 -3.075 1.00 0.29 C ATOM 537 CD1 PHE A 34 4.182 29.992 -2.508 1.00 0.52 C ATOM 538 CD2 PHE A 34 2.014 29.003 -2.434 1.00 0.44 C ATOM 539 CE1 PHE A 34 4.524 29.343 -1.338 1.00 0.57 C ATOM 540 CE2 PHE A 34 2.353 28.354 -1.258 1.00 0.42 C ATOM 541 CZ PHE A 34 3.609 28.525 -0.713 1.00 0.33 C ATOM 0 H PHE A 34 0.485 31.798 -3.635 1.00 0.25 H new ATOM 0 HA PHE A 34 3.313 32.359 -3.480 1.00 0.25 H new ATOM 0 HB2 PHE A 34 1.580 30.207 -4.693 1.00 0.29 H new ATOM 0 HB3 PHE A 34 3.275 30.321 -5.124 1.00 0.29 H new ATOM 0 HD1 PHE A 34 4.904 30.635 -2.990 1.00 0.52 H new ATOM 0 HD2 PHE A 34 1.030 28.862 -2.857 1.00 0.44 H new ATOM 0 HE1 PHE A 34 5.508 29.477 -0.913 1.00 0.57 H new ATOM 0 HE2 PHE A 34 1.634 27.714 -0.768 1.00 0.42 H new ATOM 0 HZ PHE A 34 3.874 28.018 0.203 1.00 0.33 H new ATOM 551 N ASN A 35 1.698 33.226 -6.158 1.00 0.26 N ATOM 552 CA ASN A 35 1.863 33.967 -7.412 1.00 0.28 C ATOM 553 C ASN A 35 2.712 35.217 -7.194 1.00 0.28 C ATOM 554 O ASN A 35 3.434 35.665 -8.084 1.00 0.28 O ATOM 555 CB ASN A 35 0.498 34.361 -7.980 1.00 0.29 C ATOM 556 CG ASN A 35 -0.185 33.232 -8.741 1.00 0.30 C ATOM 557 OD1 ASN A 35 -1.074 33.478 -9.555 1.00 0.32 O ATOM 558 ND2 ASN A 35 0.225 31.988 -8.490 1.00 0.30 N ATOM 0 H ASN A 35 0.730 33.051 -5.890 1.00 0.26 H new ATOM 0 HA ASN A 35 2.373 33.318 -8.124 1.00 0.28 H new ATOM 0 HB2 ASN A 35 -0.149 34.683 -7.164 1.00 0.29 H new ATOM 0 HB3 ASN A 35 0.622 35.216 -8.645 1.00 0.29 H new ATOM 0 HD21 ASN A 35 -0.202 31.202 -8.980 1.00 0.30 H new ATOM 0 HD22 ASN A 35 0.965 31.823 -7.808 1.00 0.30 H new ATOM 565 N ASP A 36 2.609 35.759 -5.989 1.00 0.29 N ATOM 566 CA ASP A 36 3.346 36.951 -5.585 1.00 0.30 C ATOM 567 C ASP A 36 4.864 36.750 -5.684 1.00 0.29 C ATOM 568 O ASP A 36 5.626 37.717 -5.693 1.00 0.30 O ATOM 569 CB ASP A 36 2.957 37.337 -4.152 1.00 0.31 C ATOM 570 CG ASP A 36 1.513 37.791 -4.041 1.00 0.37 C ATOM 571 OD1 ASP A 36 1.020 38.439 -4.987 1.00 1.16 O ATOM 572 OD2 ASP A 36 0.876 37.501 -3.005 1.00 1.19 O ATOM 0 H ASP A 36 2.007 35.382 -5.257 1.00 0.29 H new ATOM 0 HA ASP A 36 3.080 37.756 -6.270 1.00 0.30 H new ATOM 0 HB2 ASP A 36 3.117 36.483 -3.494 1.00 0.31 H new ATOM 0 HB3 ASP A 36 3.613 38.135 -3.804 1.00 0.31 H new ATOM 577 N ASN A 37 5.297 35.490 -5.755 1.00 0.29 N ATOM 578 CA ASN A 37 6.725 35.180 -5.845 1.00 0.29 C ATOM 579 C ASN A 37 7.128 34.608 -7.208 1.00 0.28 C ATOM 580 O ASN A 37 8.307 34.349 -7.445 1.00 0.29 O ATOM 581 CB ASN A 37 7.144 34.222 -4.729 1.00 0.30 C ATOM 582 CG ASN A 37 6.608 32.820 -4.926 1.00 0.81 C ATOM 583 OD1 ASN A 37 7.096 32.065 -5.767 1.00 1.63 O ATOM 584 ND2 ASN A 37 5.605 32.459 -4.140 1.00 0.58 N ATOM 0 H ASN A 37 4.685 34.674 -5.752 1.00 0.29 H new ATOM 0 HA ASN A 37 7.252 36.127 -5.727 1.00 0.29 H new ATOM 0 HB2 ASN A 37 8.232 34.186 -4.677 1.00 0.30 H new ATOM 0 HB3 ASN A 37 6.792 34.609 -3.773 1.00 0.30 H new ATOM 0 HD21 ASN A 37 5.207 31.523 -4.218 1.00 0.58 H new ATOM 0 HD22 ASN A 37 5.231 33.117 -3.456 1.00 0.58 H new ATOM 591 N GLY A 38 6.163 34.418 -8.103 1.00 0.26 N ATOM 592 CA GLY A 38 6.486 33.890 -9.421 1.00 0.26 C ATOM 593 C GLY A 38 6.178 32.413 -9.580 1.00 0.26 C ATOM 594 O GLY A 38 7.022 31.643 -10.037 1.00 0.26 O ATOM 0 H GLY A 38 5.175 34.616 -7.945 1.00 0.26 H new ATOM 0 HA2 GLY A 38 5.931 34.451 -10.173 1.00 0.26 H new ATOM 0 HA3 GLY A 38 7.545 34.054 -9.619 1.00 0.26 H new ATOM 598 N VAL A 39 4.958 32.029 -9.240 1.00 0.25 N ATOM 599 CA VAL A 39 4.518 30.649 -9.388 1.00 0.25 C ATOM 600 C VAL A 39 3.234 30.636 -10.199 1.00 0.25 C ATOM 601 O VAL A 39 2.379 31.505 -10.015 1.00 0.26 O ATOM 602 CB VAL A 39 4.279 29.955 -8.032 1.00 0.25 C ATOM 603 CG1 VAL A 39 3.866 28.502 -8.241 1.00 0.25 C ATOM 604 CG2 VAL A 39 5.522 30.047 -7.159 1.00 0.25 C ATOM 0 H VAL A 39 4.251 32.657 -8.858 1.00 0.25 H new ATOM 0 HA VAL A 39 5.309 30.095 -9.894 1.00 0.25 H new ATOM 0 HB VAL A 39 3.466 30.468 -7.518 1.00 0.25 H new ATOM 0 HG11 VAL A 39 3.702 28.028 -7.273 1.00 0.25 H new ATOM 0 HG12 VAL A 39 2.946 28.466 -8.824 1.00 0.25 H new ATOM 0 HG13 VAL A 39 4.655 27.973 -8.775 1.00 0.25 H new ATOM 0 HG21 VAL A 39 5.335 29.552 -6.206 1.00 0.25 H new ATOM 0 HG22 VAL A 39 6.357 29.561 -7.663 1.00 0.25 H new ATOM 0 HG23 VAL A 39 5.766 31.095 -6.982 1.00 0.25 H new ATOM 614 N ASP A 40 3.093 29.678 -11.107 1.00 0.25 N ATOM 615 CA ASP A 40 1.897 29.611 -11.940 1.00 0.26 C ATOM 616 C ASP A 40 1.584 28.178 -12.355 1.00 0.24 C ATOM 617 O ASP A 40 2.231 27.228 -11.917 1.00 0.23 O ATOM 618 CB ASP A 40 2.071 30.482 -13.186 1.00 0.27 C ATOM 619 CG ASP A 40 2.307 31.937 -12.843 1.00 0.39 C ATOM 620 OD1 ASP A 40 1.330 32.623 -12.474 1.00 1.04 O ATOM 621 OD2 ASP A 40 3.465 32.393 -12.941 1.00 1.31 O ATOM 0 H ASP A 40 3.781 28.946 -11.285 1.00 0.25 H new ATOM 0 HA ASP A 40 1.061 29.984 -11.348 1.00 0.26 H new ATOM 0 HB2 ASP A 40 2.910 30.109 -13.773 1.00 0.27 H new ATOM 0 HB3 ASP A 40 1.182 30.398 -13.812 1.00 0.27 H new ATOM 626 N GLY A 41 0.575 28.047 -13.210 1.00 0.24 N ATOM 627 CA GLY A 41 0.162 26.744 -13.696 1.00 0.23 C ATOM 628 C GLY A 41 -1.270 26.418 -13.325 1.00 0.21 C ATOM 629 O GLY A 41 -2.123 27.304 -13.287 1.00 0.22 O ATOM 0 H GLY A 41 0.032 28.828 -13.578 1.00 0.24 H new ATOM 0 HA2 GLY A 41 0.270 26.712 -14.780 1.00 0.23 H new ATOM 0 HA3 GLY A 41 0.824 25.980 -13.287 1.00 0.23 H new ATOM 633 N GLU A 42 -1.543 25.144 -13.061 1.00 0.20 N ATOM 634 CA GLU A 42 -2.892 24.719 -12.708 1.00 0.19 C ATOM 635 C GLU A 42 -2.866 23.531 -11.755 1.00 0.18 C ATOM 636 O GLU A 42 -1.905 22.764 -11.722 1.00 0.18 O ATOM 637 CB GLU A 42 -3.675 24.351 -13.970 1.00 0.20 C ATOM 638 CG GLU A 42 -3.921 25.527 -14.900 1.00 0.26 C ATOM 639 CD GLU A 42 -5.013 25.249 -15.917 1.00 0.82 C ATOM 640 OE1 GLU A 42 -4.733 24.547 -16.911 1.00 1.54 O ATOM 641 OE2 GLU A 42 -6.147 25.732 -15.717 1.00 1.58 O ATOM 0 H GLU A 42 -0.853 24.393 -13.085 1.00 0.20 H new ATOM 0 HA GLU A 42 -3.384 25.551 -12.204 1.00 0.19 H new ATOM 0 HB2 GLU A 42 -3.131 23.578 -14.512 1.00 0.20 H new ATOM 0 HB3 GLU A 42 -4.634 23.922 -13.680 1.00 0.20 H new ATOM 0 HG2 GLU A 42 -4.194 26.402 -14.309 1.00 0.26 H new ATOM 0 HG3 GLU A 42 -2.996 25.771 -15.423 1.00 0.26 H new ATOM 648 N TRP A 43 -3.938 23.385 -10.984 1.00 0.19 N ATOM 649 CA TRP A 43 -4.055 22.288 -10.033 1.00 0.18 C ATOM 650 C TRP A 43 -4.334 20.980 -10.751 1.00 0.18 C ATOM 651 O TRP A 43 -5.391 20.803 -11.355 1.00 0.20 O ATOM 652 CB TRP A 43 -5.161 22.579 -9.018 1.00 0.19 C ATOM 653 CG TRP A 43 -4.811 23.673 -8.056 1.00 0.19 C ATOM 654 CD1 TRP A 43 -5.096 25.002 -8.187 1.00 0.21 C ATOM 655 CD2 TRP A 43 -4.108 23.533 -6.816 1.00 0.21 C ATOM 656 NE1 TRP A 43 -4.613 25.696 -7.104 1.00 0.24 N ATOM 657 CE2 TRP A 43 -4.003 24.817 -6.249 1.00 0.24 C ATOM 658 CE3 TRP A 43 -3.558 22.446 -6.129 1.00 0.26 C ATOM 659 CZ2 TRP A 43 -3.371 25.043 -5.029 1.00 0.29 C ATOM 660 CZ3 TRP A 43 -2.931 22.672 -4.917 1.00 0.32 C ATOM 661 CH2 TRP A 43 -2.842 23.962 -4.378 1.00 0.33 C ATOM 0 H TRP A 43 -4.740 24.015 -11.000 1.00 0.19 H new ATOM 0 HA TRP A 43 -3.107 22.194 -9.503 1.00 0.18 H new ATOM 0 HB2 TRP A 43 -6.071 22.852 -9.552 1.00 0.19 H new ATOM 0 HB3 TRP A 43 -5.380 21.669 -8.459 1.00 0.19 H new ATOM 0 HD1 TRP A 43 -5.624 25.443 -9.020 1.00 0.21 H new ATOM 0 HE1 TRP A 43 -4.695 26.702 -6.960 1.00 0.24 H new ATOM 0 HE3 TRP A 43 -3.622 21.448 -6.537 1.00 0.26 H new ATOM 0 HZ2 TRP A 43 -3.301 26.036 -4.611 1.00 0.29 H new ATOM 0 HZ3 TRP A 43 -2.503 21.840 -4.377 1.00 0.32 H new ATOM 0 HH2 TRP A 43 -2.346 24.106 -3.430 1.00 0.33 H new ATOM 672 N THR A 44 -3.378 20.063 -10.676 1.00 0.18 N ATOM 673 CA THR A 44 -3.523 18.767 -11.315 1.00 0.18 C ATOM 674 C THR A 44 -3.767 17.681 -10.279 1.00 0.18 C ATOM 675 O THR A 44 -3.204 17.708 -9.184 1.00 0.18 O ATOM 676 CB THR A 44 -2.282 18.434 -12.144 1.00 0.18 C ATOM 677 OG1 THR A 44 -1.140 18.311 -11.315 1.00 0.19 O ATOM 678 CG2 THR A 44 -1.979 19.471 -13.203 1.00 0.19 C ATOM 0 H THR A 44 -2.497 20.195 -10.180 1.00 0.18 H new ATOM 0 HA THR A 44 -4.385 18.812 -11.980 1.00 0.18 H new ATOM 0 HB THR A 44 -2.508 17.489 -12.639 1.00 0.18 H new ATOM 0 HG1 THR A 44 -0.498 19.017 -11.536 1.00 0.19 H new ATOM 0 HG21 THR A 44 -1.087 19.176 -13.756 1.00 0.19 H new ATOM 0 HG22 THR A 44 -2.823 19.548 -13.889 1.00 0.19 H new ATOM 0 HG23 THR A 44 -1.808 20.437 -12.728 1.00 0.19 H new ATOM 686 N TYR A 45 -4.608 16.727 -10.640 1.00 0.18 N ATOM 687 CA TYR A 45 -4.935 15.617 -9.754 1.00 0.19 C ATOM 688 C TYR A 45 -3.749 14.669 -9.624 1.00 0.20 C ATOM 689 O TYR A 45 -3.046 14.402 -10.599 1.00 0.21 O ATOM 690 CB TYR A 45 -6.166 14.863 -10.263 1.00 0.20 C ATOM 691 CG TYR A 45 -7.469 15.546 -9.914 1.00 0.21 C ATOM 692 CD1 TYR A 45 -8.039 15.395 -8.656 1.00 0.21 C ATOM 693 CD2 TYR A 45 -8.127 16.346 -10.840 1.00 0.23 C ATOM 694 CE1 TYR A 45 -9.227 16.022 -8.331 1.00 0.22 C ATOM 695 CE2 TYR A 45 -9.314 16.978 -10.522 1.00 0.25 C ATOM 696 CZ TYR A 45 -9.860 16.812 -9.266 1.00 0.24 C ATOM 697 OH TYR A 45 -11.042 17.440 -8.946 1.00 0.27 O ATOM 0 H TYR A 45 -5.080 16.697 -11.544 1.00 0.18 H new ATOM 0 HA TYR A 45 -5.164 16.024 -8.769 1.00 0.19 H new ATOM 0 HB2 TYR A 45 -6.097 14.757 -11.346 1.00 0.20 H new ATOM 0 HB3 TYR A 45 -6.167 13.857 -9.844 1.00 0.20 H new ATOM 0 HD1 TYR A 45 -7.546 14.778 -7.920 1.00 0.21 H new ATOM 0 HD2 TYR A 45 -7.704 16.476 -11.825 1.00 0.23 H new ATOM 0 HE1 TYR A 45 -9.657 15.893 -7.349 1.00 0.22 H new ATOM 0 HE2 TYR A 45 -9.812 17.598 -11.253 1.00 0.25 H new ATOM 0 HH TYR A 45 -11.356 17.959 -9.716 1.00 0.27 H new ATOM 707 N ASP A 46 -3.527 14.167 -8.414 1.00 0.20 N ATOM 708 CA ASP A 46 -2.420 13.255 -8.161 1.00 0.22 C ATOM 709 C ASP A 46 -2.687 11.894 -8.804 1.00 0.23 C ATOM 710 O ASP A 46 -3.829 11.566 -9.127 1.00 0.23 O ATOM 711 CB ASP A 46 -2.207 13.081 -6.656 1.00 0.22 C ATOM 712 CG ASP A 46 -1.923 14.394 -5.958 1.00 0.23 C ATOM 713 OD1 ASP A 46 -2.302 15.449 -6.506 1.00 1.13 O ATOM 714 OD2 ASP A 46 -1.321 14.368 -4.865 1.00 1.14 O ATOM 0 H ASP A 46 -4.098 14.376 -7.595 1.00 0.20 H new ATOM 0 HA ASP A 46 -1.520 13.683 -8.602 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -3.093 12.623 -6.217 1.00 0.22 H new ATOM 0 HB3 ASP A 46 -1.377 12.395 -6.486 1.00 0.22 H new ATOM 719 N ASP A 47 -1.631 11.109 -8.994 1.00 0.26 N ATOM 720 CA ASP A 47 -1.759 9.789 -9.607 1.00 0.29 C ATOM 721 C ASP A 47 -2.553 8.838 -8.715 1.00 0.27 C ATOM 722 O ASP A 47 -2.292 8.732 -7.517 1.00 0.26 O ATOM 723 CB ASP A 47 -0.376 9.196 -9.885 1.00 0.34 C ATOM 724 CG ASP A 47 0.236 9.723 -11.167 1.00 1.43 C ATOM 725 OD1 ASP A 47 -0.189 9.280 -12.254 1.00 2.26 O ATOM 726 OD2 ASP A 47 1.143 10.579 -11.084 1.00 2.15 O ATOM 0 H ASP A 47 -0.678 11.362 -8.733 1.00 0.26 H new ATOM 0 HA ASP A 47 -2.298 9.911 -10.547 1.00 0.29 H new ATOM 0 HB2 ASP A 47 0.287 9.423 -9.050 1.00 0.34 H new ATOM 0 HB3 ASP A 47 -0.455 8.110 -9.944 1.00 0.34 H new ATOM 731 N ALA A 48 -3.528 8.151 -9.309 1.00 0.25 N ATOM 732 CA ALA A 48 -4.368 7.210 -8.572 1.00 0.24 C ATOM 733 C ALA A 48 -3.529 6.170 -7.837 1.00 0.20 C ATOM 734 O ALA A 48 -2.526 5.682 -8.357 1.00 0.21 O ATOM 735 CB ALA A 48 -5.343 6.526 -9.520 1.00 0.25 C ATOM 0 H ALA A 48 -3.755 8.229 -10.300 1.00 0.25 H new ATOM 0 HA ALA A 48 -4.928 7.773 -7.826 1.00 0.24 H new ATOM 0 HB1 ALA A 48 -5.964 5.827 -8.961 1.00 0.25 H new ATOM 0 HB2 ALA A 48 -5.977 7.276 -9.994 1.00 0.25 H new ATOM 0 HB3 ALA A 48 -4.787 5.985 -10.286 1.00 0.25 H new ATOM 741 N THR A 49 -3.950 5.839 -6.621 1.00 0.18 N ATOM 742 CA THR A 49 -3.245 4.859 -5.802 1.00 0.18 C ATOM 743 C THR A 49 -4.230 3.918 -5.114 1.00 0.18 C ATOM 744 O THR A 49 -5.358 4.303 -4.807 1.00 0.20 O ATOM 745 CB THR A 49 -2.388 5.573 -4.754 1.00 0.23 C ATOM 746 OG1 THR A 49 -1.723 6.684 -5.326 1.00 0.24 O ATOM 747 CG2 THR A 49 -1.337 4.684 -4.126 1.00 0.28 C ATOM 0 H THR A 49 -4.779 6.237 -6.179 1.00 0.18 H new ATOM 0 HA THR A 49 -2.601 4.268 -6.453 1.00 0.18 H new ATOM 0 HB THR A 49 -3.086 5.884 -3.976 1.00 0.23 H new ATOM 0 HG1 THR A 49 -1.181 7.129 -4.641 1.00 0.24 H new ATOM 0 HG21 THR A 49 -0.767 5.256 -3.393 1.00 0.28 H new ATOM 0 HG22 THR A 49 -1.821 3.841 -3.632 1.00 0.28 H new ATOM 0 HG23 THR A 49 -0.664 4.314 -4.900 1.00 0.28 H new ATOM 755 N LYS A 50 -3.796 2.686 -4.871 1.00 0.19 N ATOM 756 CA LYS A 50 -4.643 1.698 -4.214 1.00 0.21 C ATOM 757 C LYS A 50 -4.028 1.261 -2.889 1.00 0.20 C ATOM 758 O LYS A 50 -2.818 1.055 -2.789 1.00 0.41 O ATOM 759 CB LYS A 50 -4.857 0.486 -5.123 1.00 0.32 C ATOM 760 CG LYS A 50 -6.084 0.606 -6.013 1.00 0.72 C ATOM 761 CD LYS A 50 -6.185 -0.556 -6.986 1.00 0.63 C ATOM 762 CE LYS A 50 -5.603 -0.197 -8.344 1.00 0.72 C ATOM 763 NZ LYS A 50 -6.142 -1.065 -9.428 1.00 0.85 N ATOM 0 H LYS A 50 -2.866 2.349 -5.118 1.00 0.19 H new ATOM 0 HA LYS A 50 -5.611 2.158 -4.013 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -3.975 0.351 -5.749 1.00 0.32 H new ATOM 0 HB3 LYS A 50 -4.950 -0.408 -4.507 1.00 0.32 H new ATOM 0 HG2 LYS A 50 -6.981 0.642 -5.394 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -6.041 1.543 -6.568 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -5.658 -1.419 -6.580 1.00 0.63 H new ATOM 0 HD3 LYS A 50 -7.229 -0.846 -7.102 1.00 0.63 H new ATOM 0 HE2 LYS A 50 -5.826 0.846 -8.570 1.00 0.72 H new ATOM 0 HE3 LYS A 50 -4.518 -0.291 -8.310 1.00 0.72 H new ATOM 0 HZ1 LYS A 50 -5.720 -0.787 -10.337 1.00 0.85 H new ATOM 0 HZ2 LYS A 50 -5.908 -2.058 -9.226 1.00 0.85 H new ATOM 0 HZ3 LYS A 50 -7.175 -0.956 -9.478 1.00 0.85 H new ATOM 777 N THR A 51 -4.872 1.135 -1.872 1.00 0.23 N ATOM 778 CA THR A 51 -4.425 0.738 -0.544 1.00 0.21 C ATOM 779 C THR A 51 -5.222 -0.475 -0.053 1.00 0.19 C ATOM 780 O THR A 51 -6.448 -0.506 -0.166 1.00 0.18 O ATOM 781 CB THR A 51 -4.565 1.928 0.419 1.00 0.23 C ATOM 782 OG1 THR A 51 -3.617 2.932 0.103 1.00 0.26 O ATOM 783 CG2 THR A 51 -4.362 1.560 1.874 1.00 0.24 C ATOM 0 H THR A 51 -5.875 1.303 -1.943 1.00 0.23 H new ATOM 0 HA THR A 51 -3.375 0.446 -0.584 1.00 0.21 H new ATOM 0 HB THR A 51 -5.588 2.281 0.292 1.00 0.23 H new ATOM 0 HG1 THR A 51 -3.718 3.684 0.723 1.00 0.26 H new ATOM 0 HG21 THR A 51 -4.476 2.450 2.494 1.00 0.24 H new ATOM 0 HG22 THR A 51 -5.102 0.816 2.168 1.00 0.24 H new ATOM 0 HG23 THR A 51 -3.361 1.149 2.009 1.00 0.24 H new ATOM 791 N PHE A 52 -4.523 -1.475 0.490 1.00 0.20 N ATOM 792 CA PHE A 52 -5.177 -2.686 0.988 1.00 0.20 C ATOM 793 C PHE A 52 -5.766 -2.475 2.377 1.00 0.19 C ATOM 794 O PHE A 52 -5.050 -2.146 3.322 1.00 0.21 O ATOM 795 CB PHE A 52 -4.197 -3.864 1.024 1.00 0.22 C ATOM 796 CG PHE A 52 -4.866 -5.194 1.224 1.00 0.22 C ATOM 797 CD1 PHE A 52 -5.482 -5.842 0.166 1.00 0.26 C ATOM 798 CD2 PHE A 52 -4.874 -5.797 2.471 1.00 0.27 C ATOM 799 CE1 PHE A 52 -6.094 -7.067 0.348 1.00 0.30 C ATOM 800 CE2 PHE A 52 -5.485 -7.022 2.660 1.00 0.32 C ATOM 801 CZ PHE A 52 -6.096 -7.658 1.597 1.00 0.31 C ATOM 0 H PHE A 52 -3.508 -1.470 0.595 1.00 0.20 H new ATOM 0 HA PHE A 52 -5.989 -2.915 0.298 1.00 0.20 H new ATOM 0 HB2 PHE A 52 -3.634 -3.886 0.091 1.00 0.22 H new ATOM 0 HB3 PHE A 52 -3.478 -3.704 1.827 1.00 0.22 H new ATOM 0 HD1 PHE A 52 -5.484 -5.384 -0.812 1.00 0.26 H new ATOM 0 HD2 PHE A 52 -4.397 -5.304 3.305 1.00 0.27 H new ATOM 0 HE1 PHE A 52 -6.570 -7.562 -0.485 1.00 0.30 H new ATOM 0 HE2 PHE A 52 -5.485 -7.481 3.637 1.00 0.32 H new ATOM 0 HZ PHE A 52 -6.574 -8.615 1.742 1.00 0.31 H new ATOM 811 N THR A 53 -7.069 -2.689 2.499 1.00 0.19 N ATOM 812 CA THR A 53 -7.745 -2.545 3.780 1.00 0.18 C ATOM 813 C THR A 53 -7.946 -3.910 4.426 1.00 0.19 C ATOM 814 O THR A 53 -8.552 -4.805 3.830 1.00 0.20 O ATOM 815 CB THR A 53 -9.093 -1.847 3.604 1.00 0.18 C ATOM 816 OG1 THR A 53 -8.935 -0.611 2.929 1.00 0.19 O ATOM 817 CG2 THR A 53 -9.791 -1.568 4.917 1.00 0.20 C ATOM 0 H THR A 53 -7.678 -2.962 1.728 1.00 0.19 H new ATOM 0 HA THR A 53 -7.120 -1.933 4.430 1.00 0.18 H new ATOM 0 HB THR A 53 -9.705 -2.536 3.022 1.00 0.18 H new ATOM 0 HG1 THR A 53 -9.523 0.060 3.334 1.00 0.19 H new ATOM 0 HG21 THR A 53 -10.742 -1.071 4.725 1.00 0.20 H new ATOM 0 HG22 THR A 53 -9.971 -2.507 5.440 1.00 0.20 H new ATOM 0 HG23 THR A 53 -9.163 -0.924 5.533 1.00 0.20 H new ATOM 825 N VAL A 54 -7.435 -4.069 5.644 1.00 0.20 N ATOM 826 CA VAL A 54 -7.562 -5.332 6.359 1.00 0.23 C ATOM 827 C VAL A 54 -9.005 -5.575 6.775 1.00 0.24 C ATOM 828 O VAL A 54 -9.794 -4.639 6.904 1.00 0.23 O ATOM 829 CB VAL A 54 -6.674 -5.372 7.616 1.00 0.25 C ATOM 830 CG1 VAL A 54 -6.657 -6.770 8.215 1.00 0.28 C ATOM 831 CG2 VAL A 54 -5.262 -4.904 7.297 1.00 0.25 C ATOM 0 H VAL A 54 -6.932 -3.342 6.153 1.00 0.20 H new ATOM 0 HA VAL A 54 -7.236 -6.113 5.672 1.00 0.23 H new ATOM 0 HB VAL A 54 -7.097 -4.689 8.353 1.00 0.25 H new ATOM 0 HG11 VAL A 54 -6.024 -6.778 9.102 1.00 0.28 H new ATOM 0 HG12 VAL A 54 -7.671 -7.060 8.490 1.00 0.28 H new ATOM 0 HG13 VAL A 54 -6.264 -7.475 7.483 1.00 0.28 H new ATOM 0 HG21 VAL A 54 -4.654 -4.941 8.201 1.00 0.25 H new ATOM 0 HG22 VAL A 54 -4.826 -5.554 6.539 1.00 0.25 H new ATOM 0 HG23 VAL A 54 -5.294 -3.881 6.923 1.00 0.25 H new ATOM 841 N THR A 55 -9.342 -6.840 6.980 1.00 0.26 N ATOM 842 CA THR A 55 -10.691 -7.216 7.376 1.00 0.28 C ATOM 843 C THR A 55 -10.687 -8.514 8.175 1.00 0.30 C ATOM 844 O THR A 55 -10.913 -8.512 9.385 1.00 0.34 O ATOM 845 CB THR A 55 -11.575 -7.366 6.139 1.00 0.28 C ATOM 846 OG1 THR A 55 -11.526 -6.194 5.344 1.00 0.28 O ATOM 847 CG2 THR A 55 -13.026 -7.638 6.468 1.00 0.30 C ATOM 0 H THR A 55 -8.698 -7.625 6.878 1.00 0.26 H new ATOM 0 HA THR A 55 -11.092 -6.427 8.012 1.00 0.28 H new ATOM 0 HB THR A 55 -11.176 -8.226 5.601 1.00 0.28 H new ATOM 0 HG1 THR A 55 -12.212 -6.243 4.646 1.00 0.28 H new ATOM 0 HG21 THR A 55 -13.597 -7.733 5.544 1.00 0.30 H new ATOM 0 HG22 THR A 55 -13.102 -8.563 7.039 1.00 0.30 H new ATOM 0 HG23 THR A 55 -13.426 -6.813 7.058 1.00 0.30 H new ATOM 855 N GLU A 56 -10.431 -9.621 7.488 1.00 0.32 N ATOM 856 CA GLU A 56 -10.399 -10.932 8.128 1.00 0.35 C ATOM 857 C GLU A 56 -11.776 -11.310 8.664 1.00 1.23 C ATOM 858 O GLU A 56 -12.490 -12.069 7.976 1.00 2.01 O ATOM 859 CB GLU A 56 -9.376 -10.948 9.267 1.00 1.41 C ATOM 860 CG GLU A 56 -8.043 -10.319 8.898 1.00 2.55 C ATOM 861 CD GLU A 56 -7.220 -9.944 10.115 1.00 3.71 C ATOM 862 OE1 GLU A 56 -6.864 -10.854 10.894 1.00 4.26 O ATOM 863 OE2 GLU A 56 -6.932 -8.742 10.290 1.00 4.37 O ATOM 864 OXT GLU A 56 -12.128 -10.845 9.769 1.00 1.97 O ATOM 0 H GLU A 56 -10.242 -9.637 6.486 1.00 0.32 H new ATOM 0 HA GLU A 56 -10.105 -11.665 7.376 1.00 0.35 H new ATOM 0 HB2 GLU A 56 -9.792 -10.420 10.125 1.00 1.41 H new ATOM 0 HB3 GLU A 56 -9.208 -11.979 9.578 1.00 1.41 H new ATOM 0 HG2 GLU A 56 -7.475 -11.015 8.280 1.00 2.55 H new ATOM 0 HG3 GLU A 56 -8.220 -9.429 8.295 1.00 2.55 H new TER 871 GLU A 56 ATOM 872 N MET B 1 -10.347 16.664 1.731 1.00 0.34 N ATOM 873 CA MET B 1 -9.456 16.595 0.550 1.00 0.25 C ATOM 874 C MET B 1 -8.008 16.834 0.937 1.00 0.23 C ATOM 875 O MET B 1 -7.692 17.769 1.669 1.00 0.23 O ATOM 876 CB MET B 1 -9.913 17.638 -0.472 1.00 0.32 C ATOM 877 CG MET B 1 -11.020 17.150 -1.394 1.00 0.87 C ATOM 878 SD MET B 1 -10.422 16.745 -3.047 1.00 1.00 S ATOM 879 CE MET B 1 -8.967 15.777 -2.657 1.00 0.65 C ATOM 0 H1 MET B 1 -11.264 17.066 1.451 1.00 0.34 H new ATOM 0 H2 MET B 1 -10.490 15.708 2.114 1.00 0.34 H new ATOM 0 H3 MET B 1 -9.913 17.267 2.459 1.00 0.34 H new ATOM 0 HA MET B 1 -9.517 15.597 0.117 1.00 0.25 H new ATOM 0 HB2 MET B 1 -10.259 18.525 0.058 1.00 0.32 H new ATOM 0 HB3 MET B 1 -9.057 17.941 -1.076 1.00 0.32 H new ATOM 0 HG2 MET B 1 -11.490 16.269 -0.956 1.00 0.87 H new ATOM 0 HG3 MET B 1 -11.790 17.918 -1.469 1.00 0.87 H new ATOM 0 HE1 MET B 1 -8.558 15.350 -3.573 1.00 0.65 H new ATOM 0 HE2 MET B 1 -8.219 16.417 -2.189 1.00 0.65 H new ATOM 0 HE3 MET B 1 -9.237 14.974 -1.972 1.00 0.65 H new ATOM 891 N GLN B 2 -7.133 15.981 0.427 1.00 0.22 N ATOM 892 CA GLN B 2 -5.712 16.092 0.703 1.00 0.20 C ATOM 893 C GLN B 2 -5.030 16.938 -0.363 1.00 0.20 C ATOM 894 O GLN B 2 -5.118 16.636 -1.554 1.00 0.21 O ATOM 895 CB GLN B 2 -5.075 14.705 0.751 1.00 0.22 C ATOM 896 CG GLN B 2 -3.738 14.673 1.472 1.00 0.87 C ATOM 897 CD GLN B 2 -3.495 13.358 2.185 1.00 1.13 C ATOM 898 OE1 GLN B 2 -3.077 13.333 3.343 1.00 1.77 O ATOM 899 NE2 GLN B 2 -3.755 12.255 1.494 1.00 1.53 N ATOM 0 H GLN B 2 -7.385 15.202 -0.182 1.00 0.22 H new ATOM 0 HA GLN B 2 -5.584 16.576 1.671 1.00 0.20 H new ATOM 0 HB2 GLN B 2 -5.761 14.017 1.245 1.00 0.22 H new ATOM 0 HB3 GLN B 2 -4.938 14.342 -0.268 1.00 0.22 H new ATOM 0 HG2 GLN B 2 -2.937 14.846 0.753 1.00 0.87 H new ATOM 0 HG3 GLN B 2 -3.699 15.487 2.195 1.00 0.87 H new ATOM 0 HE21 GLN B 2 -4.100 12.322 0.537 1.00 1.53 H new ATOM 0 HE22 GLN B 2 -3.610 11.340 1.920 1.00 1.53 H new ATOM 908 N TYR B 3 -4.354 17.997 0.065 1.00 0.19 N ATOM 909 CA TYR B 3 -3.661 18.878 -0.864 1.00 0.21 C ATOM 910 C TYR B 3 -2.150 18.718 -0.766 1.00 0.22 C ATOM 911 O TYR B 3 -1.572 18.727 0.322 1.00 0.21 O ATOM 912 CB TYR B 3 -4.068 20.337 -0.640 1.00 0.22 C ATOM 913 CG TYR B 3 -5.381 20.699 -1.297 1.00 0.22 C ATOM 914 CD1 TYR B 3 -5.430 21.015 -2.649 1.00 0.24 C ATOM 915 CD2 TYR B 3 -6.568 20.722 -0.575 1.00 0.26 C ATOM 916 CE1 TYR B 3 -6.622 21.343 -3.264 1.00 0.25 C ATOM 917 CE2 TYR B 3 -7.766 21.048 -1.183 1.00 0.28 C ATOM 918 CZ TYR B 3 -7.787 21.358 -2.527 1.00 0.25 C ATOM 919 OH TYR B 3 -8.976 21.683 -3.137 1.00 0.27 O ATOM 0 H TYR B 3 -4.271 18.265 1.046 1.00 0.19 H new ATOM 0 HA TYR B 3 -3.959 18.590 -1.872 1.00 0.21 H new ATOM 0 HB2 TYR B 3 -4.141 20.526 0.431 1.00 0.22 H new ATOM 0 HB3 TYR B 3 -3.284 20.989 -1.026 1.00 0.22 H new ATOM 0 HD1 TYR B 3 -4.519 21.004 -3.229 1.00 0.24 H new ATOM 0 HD2 TYR B 3 -6.554 20.481 0.478 1.00 0.26 H new ATOM 0 HE1 TYR B 3 -6.642 21.586 -4.316 1.00 0.25 H new ATOM 0 HE2 TYR B 3 -8.681 21.060 -0.609 1.00 0.28 H new ATOM 0 HH TYR B 3 -8.867 21.640 -4.110 1.00 0.27 H new ATOM 929 N LYS B 4 -1.528 18.561 -1.927 1.00 0.24 N ATOM 930 CA LYS B 4 -0.084 18.382 -2.017 1.00 0.26 C ATOM 931 C LYS B 4 0.583 19.650 -2.533 1.00 0.29 C ATOM 932 O LYS B 4 0.232 20.158 -3.597 1.00 0.35 O ATOM 933 CB LYS B 4 0.245 17.208 -2.945 1.00 0.29 C ATOM 934 CG LYS B 4 0.438 15.886 -2.217 1.00 0.72 C ATOM 935 CD LYS B 4 1.249 14.905 -3.051 1.00 0.79 C ATOM 936 CE LYS B 4 1.649 13.678 -2.247 1.00 1.45 C ATOM 937 NZ LYS B 4 2.097 12.565 -3.129 1.00 1.62 N ATOM 0 H LYS B 4 -2.006 18.554 -2.828 1.00 0.24 H new ATOM 0 HA LYS B 4 0.298 18.168 -1.019 1.00 0.26 H new ATOM 0 HB2 LYS B 4 -0.558 17.097 -3.674 1.00 0.29 H new ATOM 0 HB3 LYS B 4 1.152 17.441 -3.503 1.00 0.29 H new ATOM 0 HG2 LYS B 4 0.943 16.062 -1.267 1.00 0.72 H new ATOM 0 HG3 LYS B 4 -0.534 15.451 -1.985 1.00 0.72 H new ATOM 0 HD2 LYS B 4 0.666 14.597 -3.919 1.00 0.79 H new ATOM 0 HD3 LYS B 4 2.144 15.401 -3.428 1.00 0.79 H new ATOM 0 HE2 LYS B 4 2.450 13.941 -1.556 1.00 1.45 H new ATOM 0 HE3 LYS B 4 0.804 13.347 -1.643 1.00 1.45 H new ATOM 0 HZ1 LYS B 4 2.362 11.745 -2.546 1.00 1.62 H new ATOM 0 HZ2 LYS B 4 1.324 12.298 -3.771 1.00 1.62 H new ATOM 0 HZ3 LYS B 4 2.919 12.873 -3.687 1.00 1.62 H new ATOM 951 N VAL B 5 1.548 20.159 -1.773 1.00 0.26 N ATOM 952 CA VAL B 5 2.261 21.368 -2.162 1.00 0.28 C ATOM 953 C VAL B 5 3.737 21.282 -1.798 1.00 0.26 C ATOM 954 O VAL B 5 4.094 21.069 -0.639 1.00 0.26 O ATOM 955 CB VAL B 5 1.658 22.622 -1.504 1.00 0.30 C ATOM 956 CG1 VAL B 5 2.260 23.877 -2.115 1.00 0.33 C ATOM 957 CG2 VAL B 5 0.143 22.628 -1.643 1.00 0.34 C ATOM 0 H VAL B 5 1.852 19.754 -0.888 1.00 0.26 H new ATOM 0 HA VAL B 5 2.159 21.451 -3.244 1.00 0.28 H new ATOM 0 HB VAL B 5 1.898 22.605 -0.441 1.00 0.30 H new ATOM 0 HG11 VAL B 5 1.825 24.757 -1.641 1.00 0.33 H new ATOM 0 HG12 VAL B 5 3.339 23.876 -1.959 1.00 0.33 H new ATOM 0 HG13 VAL B 5 2.048 23.899 -3.184 1.00 0.33 H new ATOM 0 HG21 VAL B 5 -0.262 23.523 -1.171 1.00 0.34 H new ATOM 0 HG22 VAL B 5 -0.125 22.622 -2.699 1.00 0.34 H new ATOM 0 HG23 VAL B 5 -0.270 21.743 -1.158 1.00 0.34 H new ATOM 967 N ILE B 6 4.591 21.458 -2.797 1.00 0.29 N ATOM 968 CA ILE B 6 6.030 21.410 -2.596 1.00 0.30 C ATOM 969 C ILE B 6 6.581 22.805 -2.334 1.00 0.30 C ATOM 970 O ILE B 6 6.503 23.689 -3.189 1.00 0.36 O ATOM 971 CB ILE B 6 6.740 20.808 -3.824 1.00 0.36 C ATOM 972 CG1 ILE B 6 6.002 19.554 -4.303 1.00 0.40 C ATOM 973 CG2 ILE B 6 8.187 20.485 -3.493 1.00 0.39 C ATOM 974 CD1 ILE B 6 6.475 19.046 -5.648 1.00 0.49 C ATOM 0 H ILE B 6 4.308 21.636 -3.761 1.00 0.29 H new ATOM 0 HA ILE B 6 6.220 20.776 -1.730 1.00 0.30 H new ATOM 0 HB ILE B 6 6.729 21.543 -4.629 1.00 0.36 H new ATOM 0 HG12 ILE B 6 6.127 18.764 -3.562 1.00 0.40 H new ATOM 0 HG13 ILE B 6 4.935 19.771 -4.361 1.00 0.40 H new ATOM 0 HG21 ILE B 6 8.675 20.061 -4.370 1.00 0.39 H new ATOM 0 HG22 ILE B 6 8.705 21.397 -3.196 1.00 0.39 H new ATOM 0 HG23 ILE B 6 8.221 19.765 -2.675 1.00 0.39 H new ATOM 0 HD11 ILE B 6 5.907 18.157 -5.921 1.00 0.49 H new ATOM 0 HD12 ILE B 6 6.325 19.819 -6.402 1.00 0.49 H new ATOM 0 HD13 ILE B 6 7.534 18.796 -5.591 1.00 0.49 H new ATOM 986 N LEU B 7 7.147 22.988 -1.151 1.00 0.30 N ATOM 987 CA LEU B 7 7.733 24.259 -0.759 1.00 0.32 C ATOM 988 C LEU B 7 9.175 24.021 -0.332 1.00 0.49 C ATOM 989 O LEU B 7 9.424 23.347 0.665 1.00 0.67 O ATOM 990 CB LEU B 7 6.931 24.882 0.390 1.00 0.38 C ATOM 991 CG LEU B 7 5.938 25.975 -0.018 1.00 0.39 C ATOM 992 CD1 LEU B 7 4.555 25.385 -0.262 1.00 0.94 C ATOM 993 CD2 LEU B 7 5.874 27.058 1.050 1.00 0.43 C ATOM 0 H LEU B 7 7.213 22.262 -0.438 1.00 0.30 H new ATOM 0 HA LEU B 7 7.710 24.951 -1.601 1.00 0.32 H new ATOM 0 HB2 LEU B 7 6.383 24.089 0.900 1.00 0.38 H new ATOM 0 HB3 LEU B 7 7.631 25.302 1.113 1.00 0.38 H new ATOM 0 HG LEU B 7 6.286 26.424 -0.949 1.00 0.39 H new ATOM 0 HD11 LEU B 7 3.866 26.179 -0.550 1.00 0.94 H new ATOM 0 HD12 LEU B 7 4.611 24.645 -1.061 1.00 0.94 H new ATOM 0 HD13 LEU B 7 4.197 24.908 0.650 1.00 0.94 H new ATOM 0 HD21 LEU B 7 5.164 27.827 0.746 1.00 0.43 H new ATOM 0 HD22 LEU B 7 5.551 26.619 1.994 1.00 0.43 H new ATOM 0 HD23 LEU B 7 6.861 27.504 1.176 1.00 0.43 H new ATOM 1005 N ASN B 8 10.127 24.547 -1.096 1.00 0.54 N ATOM 1006 CA ASN B 8 11.537 24.342 -0.780 1.00 0.75 C ATOM 1007 C ASN B 8 12.398 25.512 -1.235 1.00 0.81 C ATOM 1008 O ASN B 8 12.489 25.813 -2.426 1.00 1.49 O ATOM 1009 CB ASN B 8 12.033 23.046 -1.417 1.00 1.02 C ATOM 1010 CG ASN B 8 13.248 22.489 -0.708 1.00 1.71 C ATOM 1011 OD1 ASN B 8 13.463 22.751 0.476 1.00 2.49 O ATOM 1012 ND2 ASN B 8 14.052 21.717 -1.428 1.00 2.28 N ATOM 0 H ASN B 8 9.952 25.111 -1.928 1.00 0.54 H new ATOM 0 HA ASN B 8 11.625 24.272 0.304 1.00 0.75 H new ATOM 0 HB2 ASN B 8 11.233 22.306 -1.400 1.00 1.02 H new ATOM 0 HB3 ASN B 8 12.277 23.228 -2.464 1.00 1.02 H new ATOM 0 HD21 ASN B 8 14.887 21.314 -1.003 1.00 2.28 H new ATOM 0 HD22 ASN B 8 13.835 21.526 -2.406 1.00 2.28 H new ATOM 1019 N GLY B 9 13.023 26.169 -0.257 1.00 1.25 N ATOM 1020 CA GLY B 9 13.869 27.320 -0.522 1.00 1.51 C ATOM 1021 C GLY B 9 15.126 27.023 -1.329 1.00 2.02 C ATOM 1022 O GLY B 9 16.182 27.591 -1.053 1.00 2.61 O ATOM 0 H GLY B 9 12.955 25.917 0.729 1.00 1.25 H new ATOM 0 HA2 GLY B 9 13.282 28.068 -1.054 1.00 1.51 H new ATOM 0 HA3 GLY B 9 14.163 27.763 0.430 1.00 1.51 H new ATOM 1026 N LYS B 10 15.021 26.172 -2.346 1.00 2.32 N ATOM 1027 CA LYS B 10 16.169 25.868 -3.192 1.00 3.05 C ATOM 1028 C LYS B 10 16.170 26.816 -4.385 1.00 3.33 C ATOM 1029 O LYS B 10 15.302 26.732 -5.254 1.00 3.78 O ATOM 1030 CB LYS B 10 16.132 24.413 -3.670 1.00 3.95 C ATOM 1031 CG LYS B 10 17.022 23.481 -2.860 1.00 4.56 C ATOM 1032 CD LYS B 10 18.442 23.443 -3.406 1.00 5.48 C ATOM 1033 CE LYS B 10 19.042 22.048 -3.307 1.00 6.37 C ATOM 1034 NZ LYS B 10 20.153 21.847 -4.279 1.00 7.02 N ATOM 0 H LYS B 10 14.162 25.686 -2.602 1.00 2.32 H new ATOM 0 HA LYS B 10 17.082 26.002 -2.612 1.00 3.05 H new ATOM 0 HB2 LYS B 10 15.105 24.051 -3.625 1.00 3.95 H new ATOM 0 HB3 LYS B 10 16.438 24.375 -4.716 1.00 3.95 H new ATOM 0 HG2 LYS B 10 17.041 23.808 -1.820 1.00 4.56 H new ATOM 0 HG3 LYS B 10 16.601 22.476 -2.870 1.00 4.56 H new ATOM 0 HD2 LYS B 10 18.441 23.767 -4.447 1.00 5.48 H new ATOM 0 HD3 LYS B 10 19.064 24.147 -2.854 1.00 5.48 H new ATOM 0 HE2 LYS B 10 19.412 21.884 -2.295 1.00 6.37 H new ATOM 0 HE3 LYS B 10 18.264 21.306 -3.487 1.00 6.37 H new ATOM 0 HZ1 LYS B 10 20.533 20.884 -4.178 1.00 7.02 H new ATOM 0 HZ2 LYS B 10 19.796 21.978 -5.247 1.00 7.02 H new ATOM 0 HZ3 LYS B 10 20.907 22.538 -4.092 1.00 7.02 H new ATOM 1048 N THR B 11 17.127 27.737 -4.409 1.00 3.56 N ATOM 1049 CA THR B 11 17.208 28.718 -5.485 1.00 4.20 C ATOM 1050 C THR B 11 18.391 28.468 -6.385 1.00 4.71 C ATOM 1051 O THR B 11 18.300 28.527 -7.610 1.00 5.10 O ATOM 1052 CB THR B 11 17.277 30.131 -4.903 1.00 4.61 C ATOM 1053 OG1 THR B 11 16.540 30.213 -3.696 1.00 5.06 O ATOM 1054 CG2 THR B 11 16.744 31.193 -5.839 1.00 4.91 C ATOM 0 H THR B 11 17.854 27.825 -3.699 1.00 3.56 H new ATOM 0 HA THR B 11 16.307 28.619 -6.091 1.00 4.20 H new ATOM 0 HB THR B 11 18.337 30.320 -4.733 1.00 4.61 H new ATOM 0 HG1 THR B 11 16.598 31.124 -3.339 1.00 5.06 H new ATOM 0 HG21 THR B 11 16.823 32.170 -5.363 1.00 4.91 H new ATOM 0 HG22 THR B 11 17.325 31.190 -6.761 1.00 4.91 H new ATOM 0 HG23 THR B 11 15.699 30.985 -6.068 1.00 4.91 H new ATOM 1062 N LEU B 12 19.483 28.190 -5.745 1.00 5.10 N ATOM 1063 CA LEU B 12 20.746 27.917 -6.422 1.00 5.87 C ATOM 1064 C LEU B 12 21.185 29.109 -7.269 1.00 6.00 C ATOM 1065 O LEU B 12 22.084 29.859 -6.887 1.00 6.29 O ATOM 1066 CB LEU B 12 20.622 26.666 -7.295 1.00 6.42 C ATOM 1067 CG LEU B 12 21.423 25.459 -6.807 1.00 7.16 C ATOM 1068 CD1 LEU B 12 20.986 24.198 -7.535 1.00 7.64 C ATOM 1069 CD2 LEU B 12 22.914 25.700 -6.996 1.00 7.84 C ATOM 0 H LEU B 12 19.541 28.142 -4.728 1.00 5.10 H new ATOM 0 HA LEU B 12 21.506 27.744 -5.660 1.00 5.87 H new ATOM 0 HB2 LEU B 12 19.570 26.386 -7.355 1.00 6.42 H new ATOM 0 HB3 LEU B 12 20.945 26.913 -8.306 1.00 6.42 H new ATOM 0 HG LEU B 12 21.229 25.322 -5.743 1.00 7.16 H new ATOM 0 HD11 LEU B 12 21.567 23.350 -7.174 1.00 7.64 H new ATOM 0 HD12 LEU B 12 19.927 24.018 -7.348 1.00 7.64 H new ATOM 0 HD13 LEU B 12 21.150 24.321 -8.606 1.00 7.64 H new ATOM 0 HD21 LEU B 12 23.470 24.831 -6.644 1.00 7.84 H new ATOM 0 HD22 LEU B 12 23.125 25.862 -8.053 1.00 7.84 H new ATOM 0 HD23 LEU B 12 23.215 26.579 -6.427 1.00 7.84 H new ATOM 1081 N LYS B 13 20.542 29.277 -8.418 1.00 6.12 N ATOM 1082 CA LYS B 13 20.858 30.374 -9.324 1.00 6.49 C ATOM 1083 C LYS B 13 20.177 31.660 -8.872 1.00 6.44 C ATOM 1084 O LYS B 13 19.179 31.625 -8.152 1.00 6.61 O ATOM 1085 CB LYS B 13 20.420 30.028 -10.749 1.00 7.27 C ATOM 1086 CG LYS B 13 20.770 28.609 -11.165 1.00 7.71 C ATOM 1087 CD LYS B 13 22.271 28.373 -11.126 1.00 8.47 C ATOM 1088 CE LYS B 13 22.924 28.723 -12.453 1.00 9.09 C ATOM 1089 NZ LYS B 13 23.538 30.079 -12.429 1.00 9.66 N ATOM 0 H LYS B 13 19.795 28.664 -8.745 1.00 6.12 H new ATOM 0 HA LYS B 13 21.937 30.527 -9.309 1.00 6.49 H new ATOM 0 HB2 LYS B 13 19.342 30.167 -10.833 1.00 7.27 H new ATOM 0 HB3 LYS B 13 20.886 30.727 -11.443 1.00 7.27 H new ATOM 0 HG2 LYS B 13 20.272 27.901 -10.503 1.00 7.71 H new ATOM 0 HG3 LYS B 13 20.397 28.421 -12.172 1.00 7.71 H new ATOM 0 HD2 LYS B 13 22.714 28.973 -10.332 1.00 8.47 H new ATOM 0 HD3 LYS B 13 22.470 27.329 -10.885 1.00 8.47 H new ATOM 0 HE2 LYS B 13 23.689 27.982 -12.688 1.00 9.09 H new ATOM 0 HE3 LYS B 13 22.179 28.676 -13.248 1.00 9.09 H new ATOM 0 HZ1 LYS B 13 23.481 30.503 -13.377 1.00 9.66 H new ATOM 0 HZ2 LYS B 13 23.028 30.679 -11.750 1.00 9.66 H new ATOM 0 HZ3 LYS B 13 24.535 30.004 -12.143 1.00 9.66 H new ATOM 1103 N GLY B 14 20.720 32.794 -9.299 1.00 6.51 N ATOM 1104 CA GLY B 14 20.147 34.071 -8.925 1.00 6.70 C ATOM 1105 C GLY B 14 20.872 34.713 -7.759 1.00 6.40 C ATOM 1106 O GLY B 14 21.828 34.149 -7.227 1.00 6.55 O ATOM 0 H GLY B 14 21.545 32.851 -9.896 1.00 6.51 H new ATOM 0 HA2 GLY B 14 20.177 34.744 -9.782 1.00 6.70 H new ATOM 0 HA3 GLY B 14 19.098 33.933 -8.665 1.00 6.70 H new ATOM 1110 N GLU B 15 20.417 35.896 -7.360 1.00 6.25 N ATOM 1111 CA GLU B 15 21.028 36.615 -6.249 1.00 6.14 C ATOM 1112 C GLU B 15 20.051 36.749 -5.086 1.00 5.76 C ATOM 1113 O GLU B 15 18.902 36.315 -5.174 1.00 5.72 O ATOM 1114 CB GLU B 15 21.493 38.001 -6.702 1.00 6.49 C ATOM 1115 CG GLU B 15 20.478 38.733 -7.565 1.00 7.01 C ATOM 1116 CD GLU B 15 19.194 39.041 -6.819 1.00 7.72 C ATOM 1117 OE1 GLU B 15 18.286 38.184 -6.821 1.00 8.09 O ATOM 1118 OE2 GLU B 15 19.098 40.139 -6.232 1.00 8.17 O ATOM 0 H GLU B 15 19.627 36.377 -7.790 1.00 6.25 H new ATOM 0 HA GLU B 15 21.892 36.043 -5.911 1.00 6.14 H new ATOM 0 HB2 GLU B 15 21.713 38.606 -5.823 1.00 6.49 H new ATOM 0 HB3 GLU B 15 22.424 37.898 -7.259 1.00 6.49 H new ATOM 0 HG2 GLU B 15 20.917 39.663 -7.926 1.00 7.01 H new ATOM 0 HG3 GLU B 15 20.248 38.128 -8.442 1.00 7.01 H new ATOM 1125 N THR B 16 20.514 37.352 -3.997 1.00 5.84 N ATOM 1126 CA THR B 16 19.680 37.543 -2.817 1.00 5.81 C ATOM 1127 C THR B 16 18.638 38.628 -3.060 1.00 5.19 C ATOM 1128 O THR B 16 18.957 39.713 -3.545 1.00 5.26 O ATOM 1129 CB THR B 16 20.542 37.912 -1.609 1.00 6.58 C ATOM 1130 OG1 THR B 16 19.733 38.185 -0.479 1.00 7.16 O ATOM 1131 CG2 THR B 16 21.421 39.121 -1.848 1.00 6.78 C ATOM 0 H THR B 16 21.462 37.717 -3.907 1.00 5.84 H new ATOM 0 HA THR B 16 19.164 36.605 -2.613 1.00 5.81 H new ATOM 0 HB THR B 16 21.182 37.046 -1.436 1.00 6.58 H new ATOM 0 HG1 THR B 16 20.303 38.417 0.283 1.00 7.16 H new ATOM 0 HG21 THR B 16 22.006 39.328 -0.952 1.00 6.78 H new ATOM 0 HG22 THR B 16 22.093 38.923 -2.683 1.00 6.78 H new ATOM 0 HG23 THR B 16 20.797 39.984 -2.082 1.00 6.78 H new ATOM 1139 N THR B 17 17.391 38.328 -2.720 1.00 4.96 N ATOM 1140 CA THR B 17 16.301 39.277 -2.899 1.00 4.73 C ATOM 1141 C THR B 17 15.152 38.957 -1.955 1.00 4.39 C ATOM 1142 O THR B 17 14.935 39.653 -0.963 1.00 4.69 O ATOM 1143 CB THR B 17 15.806 39.254 -4.345 1.00 5.10 C ATOM 1144 OG1 THR B 17 16.009 37.977 -4.926 1.00 5.38 O ATOM 1145 CG2 THR B 17 16.492 40.274 -5.225 1.00 5.84 C ATOM 0 H THR B 17 17.110 37.434 -2.318 1.00 4.96 H new ATOM 0 HA THR B 17 16.677 40.274 -2.669 1.00 4.73 H new ATOM 0 HB THR B 17 14.745 39.497 -4.292 1.00 5.10 H new ATOM 0 HG1 THR B 17 16.746 38.024 -5.570 1.00 5.38 H new ATOM 0 HG21 THR B 17 16.096 40.206 -6.238 1.00 5.84 H new ATOM 0 HG22 THR B 17 16.312 41.274 -4.831 1.00 5.84 H new ATOM 0 HG23 THR B 17 17.564 40.078 -5.241 1.00 5.84 H new ATOM 1153 N THR B 18 14.422 37.897 -2.270 1.00 4.19 N ATOM 1154 CA THR B 18 13.296 37.479 -1.452 1.00 4.18 C ATOM 1155 C THR B 18 12.971 36.014 -1.683 1.00 3.67 C ATOM 1156 O THR B 18 13.612 35.337 -2.487 1.00 3.90 O ATOM 1157 CB THR B 18 12.062 38.325 -1.766 1.00 4.88 C ATOM 1158 OG1 THR B 18 11.764 38.281 -3.150 1.00 5.15 O ATOM 1159 CG2 THR B 18 12.209 39.777 -1.374 1.00 5.41 C ATOM 0 H THR B 18 14.591 37.311 -3.088 1.00 4.19 H new ATOM 0 HA THR B 18 13.576 37.620 -0.408 1.00 4.18 H new ATOM 0 HB THR B 18 11.258 37.889 -1.173 1.00 4.88 H new ATOM 0 HG1 THR B 18 10.970 38.827 -3.331 1.00 5.15 H new ATOM 0 HG21 THR B 18 11.296 40.316 -1.626 1.00 5.41 H new ATOM 0 HG22 THR B 18 12.388 39.848 -0.301 1.00 5.41 H new ATOM 0 HG23 THR B 18 13.050 40.216 -1.912 1.00 5.41 H new ATOM 1167 N GLU B 19 11.956 35.541 -0.982 1.00 3.37 N ATOM 1168 CA GLU B 19 11.512 34.166 -1.109 1.00 2.96 C ATOM 1169 C GLU B 19 10.041 34.062 -0.756 1.00 1.79 C ATOM 1170 O GLU B 19 9.404 35.056 -0.407 1.00 1.96 O ATOM 1171 CB GLU B 19 12.336 33.238 -0.217 1.00 3.86 C ATOM 1172 CG GLU B 19 12.206 33.535 1.267 1.00 4.89 C ATOM 1173 CD GLU B 19 12.706 32.392 2.129 1.00 5.89 C ATOM 1174 OE1 GLU B 19 12.675 31.236 1.656 1.00 6.37 O ATOM 1175 OE2 GLU B 19 13.129 32.652 3.275 1.00 6.48 O ATOM 0 H GLU B 19 11.420 36.095 -0.314 1.00 3.37 H new ATOM 0 HA GLU B 19 11.655 33.854 -2.144 1.00 2.96 H new ATOM 0 HB2 GLU B 19 12.029 32.208 -0.400 1.00 3.86 H new ATOM 0 HB3 GLU B 19 13.385 33.314 -0.502 1.00 3.86 H new ATOM 0 HG2 GLU B 19 12.767 34.439 1.505 1.00 4.89 H new ATOM 0 HG3 GLU B 19 11.161 33.736 1.505 1.00 4.89 H new ATOM 1182 N ALA B 20 9.502 32.861 -0.853 1.00 1.30 N ATOM 1183 CA ALA B 20 8.102 32.642 -0.549 1.00 1.20 C ATOM 1184 C ALA B 20 7.824 31.184 -0.226 1.00 1.18 C ATOM 1185 O ALA B 20 7.048 30.877 0.678 1.00 2.06 O ATOM 1186 CB ALA B 20 7.243 33.091 -1.719 1.00 2.19 C ATOM 0 H ALA B 20 10.011 32.025 -1.139 1.00 1.30 H new ATOM 0 HA ALA B 20 7.852 33.232 0.333 1.00 1.20 H new ATOM 0 HB1 ALA B 20 6.192 32.924 -1.484 1.00 2.19 H new ATOM 0 HB2 ALA B 20 7.409 34.152 -1.906 1.00 2.19 H new ATOM 0 HB3 ALA B 20 7.511 32.520 -2.608 1.00 2.19 H new ATOM 1192 N VAL B 21 8.436 30.285 -0.987 1.00 0.60 N ATOM 1193 CA VAL B 21 8.215 28.862 -0.787 1.00 0.43 C ATOM 1194 C VAL B 21 9.170 28.247 0.234 1.00 0.37 C ATOM 1195 O VAL B 21 9.843 27.256 -0.052 1.00 0.39 O ATOM 1196 CB VAL B 21 8.310 28.080 -2.108 1.00 0.48 C ATOM 1197 CG1 VAL B 21 7.226 28.531 -3.071 1.00 1.14 C ATOM 1198 CG2 VAL B 21 9.683 28.239 -2.733 1.00 1.18 C ATOM 0 H VAL B 21 9.083 30.515 -1.741 1.00 0.60 H new ATOM 0 HA VAL B 21 7.203 28.780 -0.391 1.00 0.43 H new ATOM 0 HB VAL B 21 8.160 27.023 -1.890 1.00 0.48 H new ATOM 0 HG11 VAL B 21 7.308 27.968 -4.001 1.00 1.14 H new ATOM 0 HG12 VAL B 21 6.247 28.355 -2.625 1.00 1.14 H new ATOM 0 HG13 VAL B 21 7.344 29.594 -3.280 1.00 1.14 H new ATOM 0 HG21 VAL B 21 9.725 27.677 -3.666 1.00 1.18 H new ATOM 0 HG22 VAL B 21 9.871 29.293 -2.936 1.00 1.18 H new ATOM 0 HG23 VAL B 21 10.441 27.861 -2.047 1.00 1.18 H new ATOM 1208 N ASP B 22 9.206 28.818 1.432 1.00 0.32 N ATOM 1209 CA ASP B 22 10.052 28.298 2.498 1.00 0.29 C ATOM 1210 C ASP B 22 9.225 27.431 3.428 1.00 0.26 C ATOM 1211 O ASP B 22 8.054 27.709 3.685 1.00 0.26 O ATOM 1212 CB ASP B 22 10.705 29.438 3.284 1.00 0.29 C ATOM 1213 CG ASP B 22 12.031 29.033 3.903 1.00 0.76 C ATOM 1214 OD1 ASP B 22 12.279 27.816 4.037 1.00 1.65 O ATOM 1215 OD2 ASP B 22 12.821 29.935 4.254 1.00 1.32 O ATOM 0 H ASP B 22 8.660 29.640 1.689 1.00 0.32 H new ATOM 0 HA ASP B 22 10.844 27.698 2.051 1.00 0.29 H new ATOM 0 HB2 ASP B 22 10.862 30.289 2.621 1.00 0.29 H new ATOM 0 HB3 ASP B 22 10.026 29.768 4.071 1.00 0.29 H new ATOM 1220 N ALA B 23 9.846 26.384 3.933 1.00 0.25 N ATOM 1221 CA ALA B 23 9.183 25.467 4.840 1.00 0.26 C ATOM 1222 C ALA B 23 8.533 26.219 6.001 1.00 0.24 C ATOM 1223 O ALA B 23 7.375 25.975 6.341 1.00 0.25 O ATOM 1224 CB ALA B 23 10.193 24.457 5.341 1.00 0.30 C ATOM 0 H ALA B 23 10.816 26.145 3.729 1.00 0.25 H new ATOM 0 HA ALA B 23 8.386 24.946 4.310 1.00 0.26 H new ATOM 0 HB1 ALA B 23 9.705 23.762 6.024 1.00 0.30 H new ATOM 0 HB2 ALA B 23 10.606 23.905 4.496 1.00 0.30 H new ATOM 0 HB3 ALA B 23 10.997 24.975 5.864 1.00 0.30 H new ATOM 1230 N ALA B 24 9.283 27.143 6.594 1.00 0.26 N ATOM 1231 CA ALA B 24 8.780 27.944 7.705 1.00 0.28 C ATOM 1232 C ALA B 24 7.656 28.866 7.242 1.00 0.26 C ATOM 1233 O ALA B 24 6.742 29.182 8.004 1.00 0.29 O ATOM 1234 CB ALA B 24 9.909 28.755 8.326 1.00 0.33 C ATOM 0 H ALA B 24 10.243 27.356 6.323 1.00 0.26 H new ATOM 0 HA ALA B 24 8.378 27.268 8.460 1.00 0.28 H new ATOM 0 HB1 ALA B 24 9.519 29.348 9.153 1.00 0.33 H new ATOM 0 HB2 ALA B 24 10.681 28.080 8.695 1.00 0.33 H new ATOM 0 HB3 ALA B 24 10.336 29.419 7.574 1.00 0.33 H new ATOM 1240 N THR B 25 7.733 29.292 5.984 1.00 0.25 N ATOM 1241 CA THR B 25 6.726 30.178 5.409 1.00 0.26 C ATOM 1242 C THR B 25 5.371 29.488 5.344 1.00 0.22 C ATOM 1243 O THR B 25 4.336 30.095 5.619 1.00 0.23 O ATOM 1244 CB THR B 25 7.142 30.608 3.998 1.00 0.29 C ATOM 1245 OG1 THR B 25 8.343 31.357 4.031 1.00 0.38 O ATOM 1246 CG2 THR B 25 6.095 31.441 3.289 1.00 0.29 C ATOM 0 H THR B 25 8.484 29.037 5.343 1.00 0.25 H new ATOM 0 HA THR B 25 6.646 31.056 6.050 1.00 0.26 H new ATOM 0 HB THR B 25 7.275 29.679 3.444 1.00 0.29 H new ATOM 0 HG1 THR B 25 8.590 31.619 3.120 1.00 0.38 H new ATOM 0 HG21 THR B 25 6.455 31.710 2.296 1.00 0.29 H new ATOM 0 HG22 THR B 25 5.174 30.866 3.197 1.00 0.29 H new ATOM 0 HG23 THR B 25 5.901 32.347 3.863 1.00 0.29 H new ATOM 1254 N PHE B 26 5.390 28.215 4.976 1.00 0.21 N ATOM 1255 CA PHE B 26 4.164 27.442 4.870 1.00 0.22 C ATOM 1256 C PHE B 26 3.520 27.263 6.240 1.00 0.23 C ATOM 1257 O PHE B 26 2.333 27.528 6.418 1.00 0.23 O ATOM 1258 CB PHE B 26 4.433 26.084 4.224 1.00 0.26 C ATOM 1259 CG PHE B 26 3.199 25.465 3.634 1.00 0.26 C ATOM 1260 CD1 PHE B 26 2.497 26.123 2.637 1.00 0.32 C ATOM 1261 CD2 PHE B 26 2.740 24.235 4.073 1.00 0.27 C ATOM 1262 CE1 PHE B 26 1.360 25.566 2.087 1.00 0.37 C ATOM 1263 CE2 PHE B 26 1.602 23.672 3.526 1.00 0.30 C ATOM 1264 CZ PHE B 26 0.911 24.339 2.532 1.00 0.34 C ATOM 0 H PHE B 26 6.239 27.698 4.747 1.00 0.21 H new ATOM 0 HA PHE B 26 3.471 27.992 4.233 1.00 0.22 H new ATOM 0 HB2 PHE B 26 5.184 26.201 3.443 1.00 0.26 H new ATOM 0 HB3 PHE B 26 4.851 25.408 4.970 1.00 0.26 H new ATOM 0 HD1 PHE B 26 2.844 27.084 2.286 1.00 0.32 H new ATOM 0 HD2 PHE B 26 3.276 23.710 4.850 1.00 0.27 H new ATOM 0 HE1 PHE B 26 0.823 26.089 1.310 1.00 0.37 H new ATOM 0 HE2 PHE B 26 1.253 22.711 3.875 1.00 0.30 H new ATOM 0 HZ PHE B 26 0.021 23.901 2.104 1.00 0.34 H new ATOM 1274 N GLU B 27 4.311 26.817 7.212 1.00 0.26 N ATOM 1275 CA GLU B 27 3.806 26.609 8.565 1.00 0.31 C ATOM 1276 C GLU B 27 3.164 27.883 9.109 1.00 0.29 C ATOM 1277 O GLU B 27 2.057 27.852 9.648 1.00 0.30 O ATOM 1278 CB GLU B 27 4.935 26.154 9.494 1.00 0.36 C ATOM 1279 CG GLU B 27 5.579 24.842 9.074 1.00 1.06 C ATOM 1280 CD GLU B 27 6.731 24.445 9.976 1.00 1.45 C ATOM 1281 OE1 GLU B 27 6.704 24.810 11.170 1.00 1.83 O ATOM 1282 OE2 GLU B 27 7.662 23.769 9.488 1.00 2.04 O ATOM 0 H GLU B 27 5.299 26.594 7.089 1.00 0.26 H new ATOM 0 HA GLU B 27 3.046 25.829 8.524 1.00 0.31 H new ATOM 0 HB2 GLU B 27 5.700 26.930 9.529 1.00 0.36 H new ATOM 0 HB3 GLU B 27 4.542 26.049 10.505 1.00 0.36 H new ATOM 0 HG2 GLU B 27 4.827 24.053 9.082 1.00 1.06 H new ATOM 0 HG3 GLU B 27 5.938 24.929 8.049 1.00 1.06 H new ATOM 1289 N LYS B 28 3.879 28.997 8.991 1.00 0.28 N ATOM 1290 CA LYS B 28 3.397 30.278 9.494 1.00 0.28 C ATOM 1291 C LYS B 28 2.166 30.776 8.733 1.00 0.26 C ATOM 1292 O LYS B 28 1.146 31.093 9.345 1.00 0.27 O ATOM 1293 CB LYS B 28 4.513 31.323 9.416 1.00 0.29 C ATOM 1294 CG LYS B 28 4.149 32.653 10.055 1.00 0.33 C ATOM 1295 CD LYS B 28 5.205 33.713 9.778 1.00 0.46 C ATOM 1296 CE LYS B 28 6.425 33.536 10.669 1.00 1.17 C ATOM 1297 NZ LYS B 28 7.012 34.842 11.078 1.00 1.79 N ATOM 0 H LYS B 28 4.798 29.038 8.550 1.00 0.28 H new ATOM 0 HA LYS B 28 3.100 30.127 10.532 1.00 0.28 H new ATOM 0 HB2 LYS B 28 5.404 30.927 9.903 1.00 0.29 H new ATOM 0 HB3 LYS B 28 4.770 31.490 8.370 1.00 0.29 H new ATOM 0 HG2 LYS B 28 3.185 32.990 9.673 1.00 0.33 H new ATOM 0 HG3 LYS B 28 4.037 32.522 11.131 1.00 0.33 H new ATOM 0 HD2 LYS B 28 5.507 33.661 8.732 1.00 0.46 H new ATOM 0 HD3 LYS B 28 4.778 34.703 9.938 1.00 0.46 H new ATOM 0 HE2 LYS B 28 6.146 32.970 11.558 1.00 1.17 H new ATOM 0 HE3 LYS B 28 7.177 32.950 10.141 1.00 1.17 H new ATOM 0 HZ1 LYS B 28 7.841 34.676 11.684 1.00 1.79 H new ATOM 0 HZ2 LYS B 28 7.303 35.372 10.232 1.00 1.79 H new ATOM 0 HZ3 LYS B 28 6.303 35.392 11.604 1.00 1.79 H new ATOM 1311 N VAL B 29 2.254 30.845 7.405 1.00 0.25 N ATOM 1312 CA VAL B 29 1.128 31.309 6.593 1.00 0.23 C ATOM 1313 C VAL B 29 -0.070 30.381 6.695 1.00 0.23 C ATOM 1314 O VAL B 29 -1.204 30.831 6.835 1.00 0.23 O ATOM 1315 CB VAL B 29 1.497 31.431 5.099 1.00 0.23 C ATOM 1316 CG1 VAL B 29 0.300 31.919 4.284 1.00 0.24 C ATOM 1317 CG2 VAL B 29 2.692 32.352 4.911 1.00 0.24 C ATOM 0 H VAL B 29 3.085 30.588 6.872 1.00 0.25 H new ATOM 0 HA VAL B 29 0.874 32.291 6.993 1.00 0.23 H new ATOM 0 HB VAL B 29 1.773 30.441 4.735 1.00 0.23 H new ATOM 0 HG11 VAL B 29 0.582 31.998 3.234 1.00 0.24 H new ATOM 0 HG12 VAL B 29 -0.523 31.211 4.386 1.00 0.24 H new ATOM 0 HG13 VAL B 29 -0.015 32.897 4.649 1.00 0.24 H new ATOM 0 HG21 VAL B 29 2.934 32.423 3.850 1.00 0.24 H new ATOM 0 HG22 VAL B 29 2.451 33.343 5.295 1.00 0.24 H new ATOM 0 HG23 VAL B 29 3.549 31.951 5.452 1.00 0.24 H new ATOM 1327 N VAL B 30 0.188 29.087 6.602 1.00 0.23 N ATOM 1328 CA VAL B 30 -0.880 28.105 6.657 1.00 0.24 C ATOM 1329 C VAL B 30 -1.505 28.046 8.037 1.00 0.24 C ATOM 1330 O VAL B 30 -2.725 27.961 8.165 1.00 0.25 O ATOM 1331 CB VAL B 30 -0.388 26.703 6.242 1.00 0.25 C ATOM 1332 CG1 VAL B 30 -1.542 25.713 6.207 1.00 0.26 C ATOM 1333 CG2 VAL B 30 0.310 26.762 4.891 1.00 0.26 C ATOM 0 H VAL B 30 1.123 28.694 6.489 1.00 0.23 H new ATOM 0 HA VAL B 30 -1.639 28.426 5.944 1.00 0.24 H new ATOM 0 HB VAL B 30 0.330 26.359 6.986 1.00 0.25 H new ATOM 0 HG11 VAL B 30 -1.171 24.732 5.912 1.00 0.26 H new ATOM 0 HG12 VAL B 30 -1.995 25.647 7.196 1.00 0.26 H new ATOM 0 HG13 VAL B 30 -2.289 26.050 5.488 1.00 0.26 H new ATOM 0 HG21 VAL B 30 0.651 25.764 4.614 1.00 0.26 H new ATOM 0 HG22 VAL B 30 -0.386 27.130 4.138 1.00 0.26 H new ATOM 0 HG23 VAL B 30 1.166 27.434 4.953 1.00 0.26 H new ATOM 1343 N LYS B 31 -0.683 28.101 9.071 1.00 0.24 N ATOM 1344 CA LYS B 31 -1.193 28.062 10.428 1.00 0.25 C ATOM 1345 C LYS B 31 -1.919 29.365 10.764 1.00 0.25 C ATOM 1346 O LYS B 31 -3.023 29.346 11.304 1.00 0.26 O ATOM 1347 CB LYS B 31 -0.048 27.816 11.411 1.00 0.26 C ATOM 1348 CG LYS B 31 -0.487 27.765 12.863 1.00 0.32 C ATOM 1349 CD LYS B 31 0.702 27.886 13.801 1.00 0.65 C ATOM 1350 CE LYS B 31 0.288 27.704 15.251 1.00 0.88 C ATOM 1351 NZ LYS B 31 1.421 27.947 16.186 1.00 1.38 N ATOM 0 H LYS B 31 0.332 28.172 8.997 1.00 0.24 H new ATOM 0 HA LYS B 31 -1.907 27.243 10.511 1.00 0.25 H new ATOM 0 HB2 LYS B 31 0.442 26.876 11.156 1.00 0.26 H new ATOM 0 HB3 LYS B 31 0.695 28.605 11.293 1.00 0.26 H new ATOM 0 HG2 LYS B 31 -1.193 28.572 13.061 1.00 0.32 H new ATOM 0 HG3 LYS B 31 -1.011 26.829 13.055 1.00 0.32 H new ATOM 0 HD2 LYS B 31 1.451 27.139 13.539 1.00 0.65 H new ATOM 0 HD3 LYS B 31 1.169 28.863 13.675 1.00 0.65 H new ATOM 0 HE2 LYS B 31 -0.528 28.388 15.484 1.00 0.88 H new ATOM 0 HE3 LYS B 31 -0.092 26.693 15.396 1.00 0.88 H new ATOM 0 HZ1 LYS B 31 1.098 27.813 17.165 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 2.190 27.278 15.981 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 1.767 28.920 16.066 1.00 1.38 H new ATOM 1365 N GLN B 32 -1.301 30.494 10.427 1.00 0.25 N ATOM 1366 CA GLN B 32 -1.901 31.800 10.686 1.00 0.26 C ATOM 1367 C GLN B 32 -3.188 31.986 9.890 1.00 0.25 C ATOM 1368 O GLN B 32 -4.187 32.480 10.414 1.00 0.24 O ATOM 1369 CB GLN B 32 -0.918 32.921 10.347 1.00 0.27 C ATOM 1370 CG GLN B 32 -1.430 34.304 10.717 1.00 0.30 C ATOM 1371 CD GLN B 32 -0.922 34.770 12.068 1.00 0.99 C ATOM 1372 OE1 GLN B 32 0.090 34.279 12.566 1.00 1.82 O ATOM 1373 NE2 GLN B 32 -1.625 35.723 12.670 1.00 1.61 N ATOM 0 H GLN B 32 -0.387 30.531 9.975 1.00 0.25 H new ATOM 0 HA GLN B 32 -2.143 31.845 11.748 1.00 0.26 H new ATOM 0 HB2 GLN B 32 0.023 32.739 10.866 1.00 0.27 H new ATOM 0 HB3 GLN B 32 -0.703 32.895 9.279 1.00 0.27 H new ATOM 0 HG2 GLN B 32 -1.124 35.018 9.952 1.00 0.30 H new ATOM 0 HG3 GLN B 32 -2.520 34.294 10.726 1.00 0.30 H new ATOM 0 HE21 GLN B 32 -2.459 36.103 12.221 1.00 1.61 H new ATOM 0 HE22 GLN B 32 -1.331 36.075 13.581 1.00 1.61 H new ATOM 1382 N PHE B 33 -3.164 31.579 8.625 1.00 0.25 N ATOM 1383 CA PHE B 33 -4.329 31.688 7.759 1.00 0.25 C ATOM 1384 C PHE B 33 -5.502 30.842 8.243 1.00 0.23 C ATOM 1385 O PHE B 33 -6.642 31.309 8.284 1.00 0.23 O ATOM 1386 CB PHE B 33 -3.920 31.292 6.335 1.00 0.26 C ATOM 1387 CG PHE B 33 -5.044 30.820 5.461 1.00 0.26 C ATOM 1388 CD1 PHE B 33 -6.143 31.617 5.197 1.00 0.28 C ATOM 1389 CD2 PHE B 33 -4.978 29.561 4.892 1.00 0.27 C ATOM 1390 CE1 PHE B 33 -7.163 31.161 4.382 1.00 0.29 C ATOM 1391 CE2 PHE B 33 -5.991 29.100 4.077 1.00 0.29 C ATOM 1392 CZ PHE B 33 -7.086 29.898 3.822 1.00 0.30 C ATOM 0 H PHE B 33 -2.345 31.169 8.176 1.00 0.25 H new ATOM 0 HA PHE B 33 -4.676 32.721 7.778 1.00 0.25 H new ATOM 0 HB2 PHE B 33 -3.444 32.149 5.858 1.00 0.26 H new ATOM 0 HB3 PHE B 33 -3.170 30.503 6.395 1.00 0.26 H new ATOM 0 HD1 PHE B 33 -6.205 32.604 5.631 1.00 0.28 H new ATOM 0 HD2 PHE B 33 -4.123 28.931 5.088 1.00 0.27 H new ATOM 0 HE1 PHE B 33 -8.018 31.790 4.183 1.00 0.29 H new ATOM 0 HE2 PHE B 33 -5.926 28.115 3.639 1.00 0.29 H new ATOM 0 HZ PHE B 33 -7.882 29.538 3.187 1.00 0.30 H new ATOM 1402 N PHE B 34 -5.217 29.597 8.587 1.00 0.24 N ATOM 1403 CA PHE B 34 -6.245 28.670 9.044 1.00 0.25 C ATOM 1404 C PHE B 34 -6.662 28.909 10.504 1.00 0.25 C ATOM 1405 O PHE B 34 -7.815 28.678 10.863 1.00 0.25 O ATOM 1406 CB PHE B 34 -5.789 27.229 8.795 1.00 0.29 C ATOM 1407 CG PHE B 34 -5.983 26.809 7.354 1.00 0.29 C ATOM 1408 CD1 PHE B 34 -7.258 26.701 6.817 1.00 0.52 C ATOM 1409 CD2 PHE B 34 -4.898 26.552 6.527 1.00 0.44 C ATOM 1410 CE1 PHE B 34 -7.449 26.345 5.497 1.00 0.57 C ATOM 1411 CE2 PHE B 34 -5.087 26.200 5.198 1.00 0.42 C ATOM 1412 CZ PHE B 34 -6.366 26.096 4.687 1.00 0.33 C ATOM 0 H PHE B 34 -4.277 29.201 8.559 1.00 0.24 H new ATOM 0 HA PHE B 34 -7.147 28.854 8.460 1.00 0.25 H new ATOM 0 HB2 PHE B 34 -4.737 27.132 9.062 1.00 0.29 H new ATOM 0 HB3 PHE B 34 -6.346 26.556 9.446 1.00 0.29 H new ATOM 0 HD1 PHE B 34 -8.116 26.899 7.443 1.00 0.52 H new ATOM 0 HD2 PHE B 34 -3.896 26.627 6.922 1.00 0.44 H new ATOM 0 HE1 PHE B 34 -8.450 26.262 5.100 1.00 0.57 H new ATOM 0 HE2 PHE B 34 -4.234 26.007 4.564 1.00 0.42 H new ATOM 0 HZ PHE B 34 -6.515 25.820 3.654 1.00 0.33 H new ATOM 1422 N ASN B 35 -5.742 29.377 11.345 1.00 0.26 N ATOM 1423 CA ASN B 35 -6.070 29.643 12.752 1.00 0.27 C ATOM 1424 C ASN B 35 -7.288 30.563 12.861 1.00 0.28 C ATOM 1425 O ASN B 35 -8.086 30.457 13.793 1.00 0.28 O ATOM 1426 CB ASN B 35 -4.872 30.272 13.470 1.00 0.29 C ATOM 1427 CG ASN B 35 -3.828 29.253 13.909 1.00 0.30 C ATOM 1428 OD1 ASN B 35 -3.016 29.532 14.791 1.00 0.32 O ATOM 1429 ND2 ASN B 35 -3.835 28.069 13.301 1.00 0.30 N ATOM 0 H ASN B 35 -4.776 29.579 11.086 1.00 0.26 H new ATOM 0 HA ASN B 35 -6.310 28.693 13.230 1.00 0.27 H new ATOM 0 HB2 ASN B 35 -4.403 31.000 12.809 1.00 0.29 H new ATOM 0 HB3 ASN B 35 -5.227 30.818 14.344 1.00 0.29 H new ATOM 0 HD21 ASN B 35 -3.152 27.358 13.562 1.00 0.30 H new ATOM 0 HD22 ASN B 35 -4.523 27.873 12.574 1.00 0.30 H new ATOM 1436 N ASP B 36 -7.419 31.455 11.889 1.00 0.28 N ATOM 1437 CA ASP B 36 -8.527 32.407 11.826 1.00 0.29 C ATOM 1438 C ASP B 36 -9.892 31.706 11.793 1.00 0.29 C ATOM 1439 O ASP B 36 -10.922 32.331 12.045 1.00 0.30 O ATOM 1440 CB ASP B 36 -8.370 33.305 10.595 1.00 0.30 C ATOM 1441 CG ASP B 36 -7.139 34.190 10.670 1.00 0.37 C ATOM 1442 OD1 ASP B 36 -6.821 34.673 11.777 1.00 1.16 O ATOM 1443 OD2 ASP B 36 -6.495 34.401 9.621 1.00 1.19 O ATOM 0 H ASP B 36 -6.758 31.542 11.117 1.00 0.28 H new ATOM 0 HA ASP B 36 -8.493 33.012 12.732 1.00 0.29 H new ATOM 0 HB2 ASP B 36 -8.312 32.683 9.702 1.00 0.30 H new ATOM 0 HB3 ASP B 36 -9.257 33.930 10.491 1.00 0.30 H new ATOM 1448 N ASN B 37 -9.898 30.413 11.471 1.00 0.28 N ATOM 1449 CA ASN B 37 -11.150 29.659 11.400 1.00 0.29 C ATOM 1450 C ASN B 37 -11.291 28.633 12.528 1.00 0.27 C ATOM 1451 O ASN B 37 -12.325 27.974 12.642 1.00 0.29 O ATOM 1452 CB ASN B 37 -11.296 28.980 10.036 1.00 0.30 C ATOM 1453 CG ASN B 37 -10.331 27.833 9.843 1.00 0.81 C ATOM 1454 OD1 ASN B 37 -10.487 26.767 10.437 1.00 1.62 O ATOM 1455 ND2 ASN B 37 -9.330 28.045 9.002 1.00 0.58 N ATOM 0 H ASN B 37 -9.061 29.871 11.257 1.00 0.28 H new ATOM 0 HA ASN B 37 -11.956 30.381 11.528 1.00 0.29 H new ATOM 0 HB2 ASN B 37 -12.316 28.612 9.926 1.00 0.30 H new ATOM 0 HB3 ASN B 37 -11.137 29.718 9.250 1.00 0.30 H new ATOM 0 HD21 ASN B 37 -8.648 27.307 8.824 1.00 0.58 H new ATOM 0 HD22 ASN B 37 -9.241 28.946 8.532 1.00 0.58 H new ATOM 1462 N GLY B 38 -10.268 28.501 13.368 1.00 0.26 N ATOM 1463 CA GLY B 38 -10.344 27.556 14.470 1.00 0.26 C ATOM 1464 C GLY B 38 -9.582 26.267 14.215 1.00 0.25 C ATOM 1465 O GLY B 38 -10.108 25.177 14.438 1.00 0.25 O ATOM 0 H GLY B 38 -9.395 29.026 13.307 1.00 0.26 H new ATOM 0 HA2 GLY B 38 -9.953 28.028 15.371 1.00 0.26 H new ATOM 0 HA3 GLY B 38 -11.390 27.318 14.663 1.00 0.26 H new ATOM 1469 N VAL B 39 -8.328 26.390 13.790 1.00 0.25 N ATOM 1470 CA VAL B 39 -7.476 25.227 13.552 1.00 0.25 C ATOM 1471 C VAL B 39 -6.200 25.386 14.359 1.00 0.25 C ATOM 1472 O VAL B 39 -5.643 26.482 14.426 1.00 0.26 O ATOM 1473 CB VAL B 39 -7.118 25.041 12.058 1.00 0.25 C ATOM 1474 CG1 VAL B 39 -6.261 23.791 11.848 1.00 0.24 C ATOM 1475 CG2 VAL B 39 -8.384 24.965 11.222 1.00 0.25 C ATOM 0 H VAL B 39 -7.877 27.286 13.603 1.00 0.25 H new ATOM 0 HA VAL B 39 -8.031 24.341 13.860 1.00 0.25 H new ATOM 0 HB VAL B 39 -6.535 25.904 11.737 1.00 0.25 H new ATOM 0 HG11 VAL B 39 -6.025 23.686 10.789 1.00 0.24 H new ATOM 0 HG12 VAL B 39 -5.337 23.883 12.419 1.00 0.24 H new ATOM 0 HG13 VAL B 39 -6.810 22.912 12.186 1.00 0.24 H new ATOM 0 HG21 VAL B 39 -8.120 24.834 10.173 1.00 0.25 H new ATOM 0 HG22 VAL B 39 -8.988 24.120 11.552 1.00 0.25 H new ATOM 0 HG23 VAL B 39 -8.954 25.886 11.340 1.00 0.25 H new ATOM 1485 N ASP B 40 -5.740 24.316 14.990 1.00 0.25 N ATOM 1486 CA ASP B 40 -4.536 24.403 15.802 1.00 0.25 C ATOM 1487 C ASP B 40 -3.774 23.083 15.827 1.00 0.24 C ATOM 1488 O ASP B 40 -4.128 22.127 15.137 1.00 0.23 O ATOM 1489 CB ASP B 40 -4.901 24.819 17.230 1.00 0.27 C ATOM 1490 CG ASP B 40 -5.591 26.168 17.283 1.00 0.38 C ATOM 1491 OD1 ASP B 40 -4.898 27.196 17.134 1.00 1.04 O ATOM 1492 OD2 ASP B 40 -6.825 26.197 17.477 1.00 1.30 O ATOM 0 H ASP B 40 -6.173 23.393 14.957 1.00 0.25 H new ATOM 0 HA ASP B 40 -3.886 25.154 15.353 1.00 0.25 H new ATOM 0 HB2 ASP B 40 -5.552 24.064 17.670 1.00 0.27 H new ATOM 0 HB3 ASP B 40 -3.997 24.853 17.838 1.00 0.27 H new ATOM 1497 N GLY B 41 -2.719 23.056 16.633 1.00 0.23 N ATOM 1498 CA GLY B 41 -1.897 21.868 16.755 1.00 0.22 C ATOM 1499 C GLY B 41 -0.451 22.134 16.393 1.00 0.21 C ATOM 1500 O GLY B 41 0.072 23.218 16.652 1.00 0.22 O ATOM 0 H GLY B 41 -2.417 23.842 17.208 1.00 0.23 H new ATOM 0 HA2 GLY B 41 -1.951 21.494 17.777 1.00 0.22 H new ATOM 0 HA3 GLY B 41 -2.294 21.086 16.108 1.00 0.22 H new ATOM 1504 N GLU B 42 0.197 21.142 15.795 1.00 0.19 N ATOM 1505 CA GLU B 42 1.592 21.275 15.401 1.00 0.19 C ATOM 1506 C GLU B 42 1.891 20.454 14.150 1.00 0.18 C ATOM 1507 O GLU B 42 1.220 19.460 13.872 1.00 0.18 O ATOM 1508 CB GLU B 42 2.508 20.835 16.542 1.00 0.20 C ATOM 1509 CG GLU B 42 2.411 21.715 17.776 1.00 0.25 C ATOM 1510 CD GLU B 42 3.579 21.510 18.720 1.00 0.81 C ATOM 1511 OE1 GLU B 42 3.575 20.501 19.457 1.00 1.55 O ATOM 1512 OE2 GLU B 42 4.498 22.355 18.720 1.00 1.57 O ATOM 0 H GLU B 42 -0.221 20.239 15.573 1.00 0.19 H new ATOM 0 HA GLU B 42 1.778 22.325 15.175 1.00 0.19 H new ATOM 0 HB2 GLU B 42 2.263 19.809 16.818 1.00 0.20 H new ATOM 0 HB3 GLU B 42 3.539 20.833 16.188 1.00 0.20 H new ATOM 0 HG2 GLU B 42 2.371 22.761 17.472 1.00 0.25 H new ATOM 0 HG3 GLU B 42 1.480 21.500 18.301 1.00 0.25 H new ATOM 1519 N TRP B 43 2.912 20.872 13.411 1.00 0.18 N ATOM 1520 CA TRP B 43 3.316 20.176 12.196 1.00 0.18 C ATOM 1521 C TRP B 43 4.023 18.873 12.529 1.00 0.18 C ATOM 1522 O TRP B 43 5.102 18.872 13.121 1.00 0.20 O ATOM 1523 CB TRP B 43 4.226 21.069 11.350 1.00 0.19 C ATOM 1524 CG TRP B 43 3.506 22.225 10.725 1.00 0.19 C ATOM 1525 CD1 TRP B 43 3.366 23.481 11.243 1.00 0.21 C ATOM 1526 CD2 TRP B 43 2.822 22.232 9.466 1.00 0.21 C ATOM 1527 NE1 TRP B 43 2.638 24.267 10.383 1.00 0.23 N ATOM 1528 CE2 TRP B 43 2.292 23.523 9.285 1.00 0.24 C ATOM 1529 CE3 TRP B 43 2.607 21.271 8.473 1.00 0.26 C ATOM 1530 CZ2 TRP B 43 1.561 23.877 8.153 1.00 0.29 C ATOM 1531 CZ3 TRP B 43 1.882 21.624 7.351 1.00 0.32 C ATOM 1532 CH2 TRP B 43 1.367 22.917 7.199 1.00 0.33 C ATOM 0 H TRP B 43 3.476 21.692 13.633 1.00 0.18 H new ATOM 0 HA TRP B 43 2.419 19.943 11.623 1.00 0.18 H new ATOM 0 HB2 TRP B 43 5.034 21.448 11.975 1.00 0.19 H new ATOM 0 HB3 TRP B 43 4.685 20.468 10.565 1.00 0.19 H new ATOM 0 HD1 TRP B 43 3.769 23.808 12.190 1.00 0.21 H new ATOM 0 HE1 TRP B 43 2.394 25.246 10.537 1.00 0.23 H new ATOM 0 HE3 TRP B 43 3.001 20.271 8.581 1.00 0.26 H new ATOM 0 HZ2 TRP B 43 1.162 24.873 8.033 1.00 0.29 H new ATOM 0 HZ3 TRP B 43 1.710 20.890 6.578 1.00 0.32 H new ATOM 0 HH2 TRP B 43 0.805 23.161 6.310 1.00 0.33 H new ATOM 1543 N THR B 44 3.408 17.766 12.139 1.00 0.17 N ATOM 1544 CA THR B 44 3.979 16.456 12.391 1.00 0.18 C ATOM 1545 C THR B 44 4.494 15.842 11.099 1.00 0.18 C ATOM 1546 O THR B 44 3.894 15.996 10.036 1.00 0.18 O ATOM 1547 CB THR B 44 2.944 15.533 13.035 1.00 0.18 C ATOM 1548 OG1 THR B 44 1.857 15.306 12.156 1.00 0.19 O ATOM 1549 CG2 THR B 44 2.381 16.076 14.331 1.00 0.19 C ATOM 0 H THR B 44 2.514 17.751 11.647 1.00 0.17 H new ATOM 0 HA THR B 44 4.815 16.576 13.080 1.00 0.18 H new ATOM 0 HB THR B 44 3.478 14.607 13.249 1.00 0.18 H new ATOM 0 HG1 THR B 44 1.047 15.127 12.677 1.00 0.19 H new ATOM 0 HG21 THR B 44 1.653 15.372 14.735 1.00 0.19 H new ATOM 0 HG22 THR B 44 3.189 16.214 15.049 1.00 0.19 H new ATOM 0 HG23 THR B 44 1.895 17.033 14.144 1.00 0.19 H new ATOM 1557 N TYR B 45 5.608 15.141 11.208 1.00 0.18 N ATOM 1558 CA TYR B 45 6.218 14.487 10.058 1.00 0.19 C ATOM 1559 C TYR B 45 5.382 13.293 9.611 1.00 0.20 C ATOM 1560 O TYR B 45 4.842 12.558 10.437 1.00 0.21 O ATOM 1561 CB TYR B 45 7.644 14.046 10.389 1.00 0.20 C ATOM 1562 CG TYR B 45 8.652 15.171 10.307 1.00 0.21 C ATOM 1563 CD1 TYR B 45 9.178 15.570 9.084 1.00 0.21 C ATOM 1564 CD2 TYR B 45 9.072 15.838 11.450 1.00 0.23 C ATOM 1565 CE1 TYR B 45 10.096 16.601 9.004 1.00 0.22 C ATOM 1566 CE2 TYR B 45 9.988 16.871 11.378 1.00 0.25 C ATOM 1567 CZ TYR B 45 10.497 17.248 10.153 1.00 0.24 C ATOM 1568 OH TYR B 45 11.409 18.277 10.078 1.00 0.27 O ATOM 0 H TYR B 45 6.113 15.008 12.084 1.00 0.18 H new ATOM 0 HA TYR B 45 6.258 15.204 9.238 1.00 0.19 H new ATOM 0 HB2 TYR B 45 7.662 13.623 11.394 1.00 0.20 H new ATOM 0 HB3 TYR B 45 7.940 13.252 9.704 1.00 0.20 H new ATOM 0 HD1 TYR B 45 8.865 15.067 8.181 1.00 0.21 H new ATOM 0 HD2 TYR B 45 8.677 15.545 12.411 1.00 0.23 H new ATOM 0 HE1 TYR B 45 10.497 16.898 8.046 1.00 0.22 H new ATOM 0 HE2 TYR B 45 10.303 17.380 12.277 1.00 0.25 H new ATOM 0 HH TYR B 45 11.583 18.626 10.977 1.00 0.27 H new ATOM 1578 N ASP B 46 5.275 13.109 8.300 1.00 0.20 N ATOM 1579 CA ASP B 46 4.499 12.006 7.748 1.00 0.22 C ATOM 1580 C ASP B 46 5.211 10.675 7.988 1.00 0.23 C ATOM 1581 O ASP B 46 6.412 10.645 8.257 1.00 0.23 O ATOM 1582 CB ASP B 46 4.281 12.210 6.249 1.00 0.22 C ATOM 1583 CG ASP B 46 3.560 13.506 5.945 1.00 0.23 C ATOM 1584 OD1 ASP B 46 3.620 14.425 6.786 1.00 1.13 O ATOM 1585 OD2 ASP B 46 2.936 13.602 4.868 1.00 1.14 O ATOM 0 H ASP B 46 5.715 13.708 7.601 1.00 0.20 H new ATOM 0 HA ASP B 46 3.532 11.984 8.251 1.00 0.22 H new ATOM 0 HB2 ASP B 46 5.245 12.205 5.740 1.00 0.22 H new ATOM 0 HB3 ASP B 46 3.705 11.374 5.851 1.00 0.22 H new ATOM 1590 N ASP B 47 4.463 9.580 7.899 1.00 0.26 N ATOM 1591 CA ASP B 47 5.026 8.249 8.116 1.00 0.29 C ATOM 1592 C ASP B 47 6.034 7.893 7.027 1.00 0.27 C ATOM 1593 O ASP B 47 5.762 8.061 5.838 1.00 0.27 O ATOM 1594 CB ASP B 47 3.912 7.202 8.147 1.00 0.34 C ATOM 1595 CG ASP B 47 3.226 7.122 9.496 1.00 1.43 C ATOM 1596 OD1 ASP B 47 3.819 6.543 10.430 1.00 2.26 O ATOM 1597 OD2 ASP B 47 2.094 7.637 9.618 1.00 2.15 O ATOM 0 H ASP B 47 3.467 9.586 7.679 1.00 0.26 H new ATOM 0 HA ASP B 47 5.543 8.257 9.076 1.00 0.29 H new ATOM 0 HB2 ASP B 47 3.173 7.440 7.381 1.00 0.34 H new ATOM 0 HB3 ASP B 47 4.328 6.226 7.897 1.00 0.34 H new ATOM 1602 N ALA B 48 7.200 7.404 7.443 1.00 0.26 N ATOM 1603 CA ALA B 48 8.254 7.027 6.506 1.00 0.24 C ATOM 1604 C ALA B 48 7.746 6.033 5.467 1.00 0.21 C ATOM 1605 O ALA B 48 6.966 5.133 5.779 1.00 0.21 O ATOM 1606 CB ALA B 48 9.439 6.441 7.260 1.00 0.25 C ATOM 0 H ALA B 48 7.438 7.260 8.424 1.00 0.26 H new ATOM 0 HA ALA B 48 8.573 7.926 5.979 1.00 0.24 H new ATOM 0 HB1 ALA B 48 10.220 6.163 6.552 1.00 0.25 H new ATOM 0 HB2 ALA B 48 9.829 7.182 7.957 1.00 0.25 H new ATOM 0 HB3 ALA B 48 9.118 5.557 7.812 1.00 0.25 H new ATOM 1612 N THR B 49 8.196 6.206 4.228 1.00 0.19 N ATOM 1613 CA THR B 49 7.791 5.331 3.134 1.00 0.18 C ATOM 1614 C THR B 49 8.984 4.981 2.250 1.00 0.18 C ATOM 1615 O THR B 49 9.919 5.770 2.115 1.00 0.20 O ATOM 1616 CB THR B 49 6.703 6.006 2.298 1.00 0.23 C ATOM 1617 OG1 THR B 49 5.760 6.652 3.134 1.00 0.25 O ATOM 1618 CG2 THR B 49 5.943 5.048 1.407 1.00 0.29 C ATOM 0 H THR B 49 8.843 6.946 3.957 1.00 0.19 H new ATOM 0 HA THR B 49 7.396 4.409 3.561 1.00 0.18 H new ATOM 0 HB THR B 49 7.230 6.720 1.665 1.00 0.23 H new ATOM 0 HG1 THR B 49 5.072 7.080 2.582 1.00 0.25 H new ATOM 0 HG21 THR B 49 5.188 5.596 0.844 1.00 0.29 H new ATOM 0 HG22 THR B 49 6.635 4.568 0.715 1.00 0.29 H new ATOM 0 HG23 THR B 49 5.458 4.288 2.020 1.00 0.29 H new ATOM 1626 N LYS B 50 8.944 3.798 1.646 1.00 0.19 N ATOM 1627 CA LYS B 50 10.023 3.355 0.772 1.00 0.22 C ATOM 1628 C LYS B 50 9.511 3.144 -0.648 1.00 0.20 C ATOM 1629 O LYS B 50 8.421 2.612 -0.857 1.00 0.41 O ATOM 1630 CB LYS B 50 10.650 2.065 1.307 1.00 0.32 C ATOM 1631 CG LYS B 50 11.818 2.307 2.250 1.00 0.72 C ATOM 1632 CD LYS B 50 12.327 1.008 2.852 1.00 0.63 C ATOM 1633 CE LYS B 50 11.728 0.760 4.227 1.00 0.72 C ATOM 1634 NZ LYS B 50 12.563 -0.168 5.039 1.00 0.85 N ATOM 0 H LYS B 50 8.179 3.131 1.745 1.00 0.19 H new ATOM 0 HA LYS B 50 10.788 4.132 0.752 1.00 0.22 H new ATOM 0 HB2 LYS B 50 9.886 1.487 1.827 1.00 0.32 H new ATOM 0 HB3 LYS B 50 10.990 1.460 0.467 1.00 0.32 H new ATOM 0 HG2 LYS B 50 12.626 2.800 1.710 1.00 0.72 H new ATOM 0 HG3 LYS B 50 11.509 2.982 3.048 1.00 0.72 H new ATOM 0 HD2 LYS B 50 12.079 0.178 2.191 1.00 0.63 H new ATOM 0 HD3 LYS B 50 13.414 1.042 2.928 1.00 0.63 H new ATOM 0 HE2 LYS B 50 11.623 1.709 4.754 1.00 0.72 H new ATOM 0 HE3 LYS B 50 10.726 0.344 4.117 1.00 0.72 H new ATOM 0 HZ1 LYS B 50 12.120 -0.310 5.969 1.00 0.85 H new ATOM 0 HZ2 LYS B 50 12.642 -1.082 4.549 1.00 0.85 H new ATOM 0 HZ3 LYS B 50 13.511 0.240 5.167 1.00 0.85 H new ATOM 1648 N THR B 51 10.304 3.580 -1.620 1.00 0.24 N ATOM 1649 CA THR B 51 9.940 3.459 -3.025 1.00 0.21 C ATOM 1650 C THR B 51 11.051 2.750 -3.804 1.00 0.20 C ATOM 1651 O THR B 51 12.229 3.072 -3.647 1.00 0.19 O ATOM 1652 CB THR B 51 9.655 4.856 -3.601 1.00 0.23 C ATOM 1653 OG1 THR B 51 8.459 5.381 -3.051 1.00 0.26 O ATOM 1654 CG2 THR B 51 9.502 4.872 -5.107 1.00 0.25 C ATOM 0 H THR B 51 11.208 4.023 -1.458 1.00 0.24 H new ATOM 0 HA THR B 51 9.037 2.855 -3.118 1.00 0.21 H new ATOM 0 HB THR B 51 10.523 5.459 -3.336 1.00 0.23 H new ATOM 0 HG1 THR B 51 8.290 6.271 -3.425 1.00 0.26 H new ATOM 0 HG21 THR B 51 9.303 5.890 -5.442 1.00 0.25 H new ATOM 0 HG22 THR B 51 10.420 4.511 -5.570 1.00 0.25 H new ATOM 0 HG23 THR B 51 8.672 4.226 -5.395 1.00 0.25 H new ATOM 1662 N PHE B 52 10.674 1.781 -4.642 1.00 0.20 N ATOM 1663 CA PHE B 52 11.649 1.032 -5.436 1.00 0.20 C ATOM 1664 C PHE B 52 12.072 1.802 -6.678 1.00 0.20 C ATOM 1665 O PHE B 52 11.242 2.148 -7.519 1.00 0.22 O ATOM 1666 CB PHE B 52 11.086 -0.333 -5.849 1.00 0.22 C ATOM 1667 CG PHE B 52 12.126 -1.272 -6.388 1.00 0.23 C ATOM 1668 CD1 PHE B 52 12.964 -1.967 -5.532 1.00 0.27 C ATOM 1669 CD2 PHE B 52 12.261 -1.462 -7.754 1.00 0.27 C ATOM 1670 CE1 PHE B 52 13.918 -2.834 -6.028 1.00 0.31 C ATOM 1671 CE2 PHE B 52 13.214 -2.327 -8.256 1.00 0.32 C ATOM 1672 CZ PHE B 52 14.044 -3.015 -7.392 1.00 0.32 C ATOM 0 H PHE B 52 9.705 1.498 -4.787 1.00 0.20 H new ATOM 0 HA PHE B 52 12.526 0.884 -4.805 1.00 0.20 H new ATOM 0 HB2 PHE B 52 10.604 -0.794 -4.987 1.00 0.22 H new ATOM 0 HB3 PHE B 52 10.315 -0.185 -6.605 1.00 0.22 H new ATOM 0 HD1 PHE B 52 12.871 -1.830 -4.465 1.00 0.27 H new ATOM 0 HD2 PHE B 52 11.614 -0.928 -8.434 1.00 0.27 H new ATOM 0 HE1 PHE B 52 14.565 -3.370 -5.350 1.00 0.31 H new ATOM 0 HE2 PHE B 52 13.310 -2.465 -9.323 1.00 0.32 H new ATOM 0 HZ PHE B 52 14.789 -3.692 -7.782 1.00 0.32 H new ATOM 1682 N THR B 53 13.369 2.050 -6.800 1.00 0.19 N ATOM 1683 CA THR B 53 13.901 2.758 -7.955 1.00 0.19 C ATOM 1684 C THR B 53 14.485 1.768 -8.956 1.00 0.20 C ATOM 1685 O THR B 53 15.365 0.975 -8.615 1.00 0.21 O ATOM 1686 CB THR B 53 14.971 3.762 -7.526 1.00 0.19 C ATOM 1687 OG1 THR B 53 14.468 4.640 -6.535 1.00 0.20 O ATOM 1688 CG2 THR B 53 15.485 4.607 -8.671 1.00 0.20 C ATOM 0 H THR B 53 14.071 1.772 -6.114 1.00 0.19 H new ATOM 0 HA THR B 53 13.085 3.303 -8.430 1.00 0.19 H new ATOM 0 HB THR B 53 15.794 3.162 -7.138 1.00 0.19 H new ATOM 0 HG1 THR B 53 14.797 5.547 -6.704 1.00 0.20 H new ATOM 0 HG21 THR B 53 16.242 5.299 -8.301 1.00 0.20 H new ATOM 0 HG22 THR B 53 15.924 3.961 -9.431 1.00 0.20 H new ATOM 0 HG23 THR B 53 14.660 5.170 -9.107 1.00 0.20 H new ATOM 1696 N VAL B 54 13.993 1.813 -10.190 1.00 0.21 N ATOM 1697 CA VAL B 54 14.474 0.912 -11.228 1.00 0.23 C ATOM 1698 C VAL B 54 15.899 1.260 -11.630 1.00 0.24 C ATOM 1699 O VAL B 54 16.352 2.389 -11.444 1.00 0.24 O ATOM 1700 CB VAL B 54 13.583 0.954 -12.483 1.00 0.25 C ATOM 1701 CG1 VAL B 54 13.976 -0.148 -13.455 1.00 0.28 C ATOM 1702 CG2 VAL B 54 12.113 0.843 -12.106 1.00 0.26 C ATOM 0 H VAL B 54 13.266 2.460 -10.493 1.00 0.21 H new ATOM 0 HA VAL B 54 14.442 -0.093 -10.807 1.00 0.23 H new ATOM 0 HB VAL B 54 13.733 1.914 -12.976 1.00 0.25 H new ATOM 0 HG11 VAL B 54 13.335 -0.102 -14.336 1.00 0.28 H new ATOM 0 HG12 VAL B 54 15.015 -0.015 -13.755 1.00 0.28 H new ATOM 0 HG13 VAL B 54 13.860 -1.118 -12.972 1.00 0.28 H new ATOM 0 HG21 VAL B 54 11.503 0.875 -13.008 1.00 0.26 H new ATOM 0 HG22 VAL B 54 11.941 -0.099 -11.585 1.00 0.26 H new ATOM 0 HG23 VAL B 54 11.841 1.673 -11.454 1.00 0.26 H new ATOM 1712 N THR B 55 16.603 0.279 -12.177 1.00 0.27 N ATOM 1713 CA THR B 55 17.982 0.473 -12.601 1.00 0.29 C ATOM 1714 C THR B 55 18.346 -0.477 -13.737 1.00 0.31 C ATOM 1715 O THR B 55 18.501 -0.059 -14.884 1.00 0.34 O ATOM 1716 CB THR B 55 18.925 0.259 -11.418 1.00 0.28 C ATOM 1717 OG1 THR B 55 18.550 1.078 -10.325 1.00 0.29 O ATOM 1718 CG2 THR B 55 20.372 0.559 -11.742 1.00 0.31 C ATOM 0 H THR B 55 16.241 -0.661 -12.338 1.00 0.27 H new ATOM 0 HA THR B 55 18.086 1.495 -12.966 1.00 0.29 H new ATOM 0 HB THR B 55 18.839 -0.798 -11.168 1.00 0.28 H new ATOM 0 HG1 THR B 55 19.249 1.048 -9.639 1.00 0.29 H new ATOM 0 HG21 THR B 55 20.986 0.386 -10.858 1.00 0.31 H new ATOM 0 HG22 THR B 55 20.707 -0.092 -12.549 1.00 0.31 H new ATOM 0 HG23 THR B 55 20.467 1.600 -12.052 1.00 0.31 H new ATOM 1726 N GLU B 56 18.483 -1.755 -13.407 1.00 0.32 N ATOM 1727 CA GLU B 56 18.832 -2.771 -14.395 1.00 0.36 C ATOM 1728 C GLU B 56 20.229 -2.529 -14.955 1.00 1.23 C ATOM 1729 O GLU B 56 21.178 -3.191 -14.485 1.00 2.01 O ATOM 1730 CB GLU B 56 17.810 -2.785 -15.533 1.00 1.40 C ATOM 1731 CG GLU B 56 16.367 -2.739 -15.058 1.00 2.54 C ATOM 1732 CD GLU B 56 15.408 -2.311 -16.151 1.00 3.70 C ATOM 1733 OE1 GLU B 56 15.314 -3.025 -17.171 1.00 4.25 O ATOM 1734 OE2 GLU B 56 14.750 -1.262 -15.986 1.00 4.36 O ATOM 1735 OXT GLU B 56 20.363 -1.679 -15.861 1.00 1.97 O ATOM 0 H GLU B 56 18.358 -2.114 -12.461 1.00 0.32 H new ATOM 0 HA GLU B 56 18.821 -3.741 -13.897 1.00 0.36 H new ATOM 0 HB2 GLU B 56 17.995 -1.933 -16.187 1.00 1.40 H new ATOM 0 HB3 GLU B 56 17.958 -3.684 -16.131 1.00 1.40 H new ATOM 0 HG2 GLU B 56 16.078 -3.724 -14.691 1.00 2.54 H new ATOM 0 HG3 GLU B 56 16.286 -2.049 -14.218 1.00 2.54 H new TER 1742 GLU B 56 ATOM 1743 N MET C 1 5.366 -0.012 8.272 1.00 0.34 N ATOM 1744 CA MET C 1 6.093 0.657 7.171 1.00 0.25 C ATOM 1745 C MET C 1 5.267 0.666 5.897 1.00 0.23 C ATOM 1746 O MET C 1 4.717 -0.355 5.491 1.00 0.23 O ATOM 1747 CB MET C 1 7.414 -0.078 6.942 1.00 0.32 C ATOM 1748 CG MET C 1 8.540 0.403 7.841 1.00 0.87 C ATOM 1749 SD MET C 1 9.691 1.498 6.988 1.00 1.00 S ATOM 1750 CE MET C 1 8.556 2.585 6.130 1.00 0.65 C ATOM 0 H1 MET C 1 6.049 -0.412 8.946 1.00 0.34 H new ATOM 0 H2 MET C 1 4.762 0.680 8.760 1.00 0.34 H new ATOM 0 H3 MET C 1 4.775 -0.775 7.885 1.00 0.34 H new ATOM 0 HA MET C 1 6.285 1.694 7.445 1.00 0.25 H new ATOM 0 HB2 MET C 1 7.260 -1.145 7.105 1.00 0.32 H new ATOM 0 HB3 MET C 1 7.713 0.045 5.901 1.00 0.32 H new ATOM 0 HG2 MET C 1 8.117 0.925 8.699 1.00 0.87 H new ATOM 0 HG3 MET C 1 9.084 -0.459 8.228 1.00 0.87 H new ATOM 0 HE1 MET C 1 9.110 3.413 5.688 1.00 0.65 H new ATOM 0 HE2 MET C 1 8.044 2.030 5.344 1.00 0.65 H new ATOM 0 HE3 MET C 1 7.822 2.975 6.835 1.00 0.65 H new ATOM 1762 N GLN C 2 5.195 1.828 5.268 1.00 0.22 N ATOM 1763 CA GLN C 2 4.446 1.977 4.034 1.00 0.20 C ATOM 1764 C GLN C 2 5.349 1.731 2.835 1.00 0.20 C ATOM 1765 O GLN C 2 6.386 2.379 2.688 1.00 0.21 O ATOM 1766 CB GLN C 2 3.840 3.376 3.948 1.00 0.22 C ATOM 1767 CG GLN C 2 2.695 3.485 2.956 1.00 0.86 C ATOM 1768 CD GLN C 2 1.655 4.501 3.382 1.00 1.12 C ATOM 1769 OE1 GLN C 2 0.454 4.239 3.327 1.00 1.77 O ATOM 1770 NE2 GLN C 2 2.114 5.672 3.809 1.00 1.54 N ATOM 0 H GLN C 2 5.647 2.682 5.594 1.00 0.22 H new ATOM 0 HA GLN C 2 3.642 1.242 4.028 1.00 0.20 H new ATOM 0 HB2 GLN C 2 3.483 3.669 4.935 1.00 0.22 H new ATOM 0 HB3 GLN C 2 4.620 4.084 3.668 1.00 0.22 H new ATOM 0 HG2 GLN C 2 3.090 3.762 1.979 1.00 0.86 H new ATOM 0 HG3 GLN C 2 2.221 2.510 2.844 1.00 0.86 H new ATOM 0 HE21 GLN C 2 3.119 5.846 3.838 1.00 1.54 H new ATOM 0 HE22 GLN C 2 1.462 6.397 4.108 1.00 1.54 H new ATOM 1779 N TYR C 3 4.957 0.793 1.980 1.00 0.19 N ATOM 1780 CA TYR C 3 5.743 0.475 0.798 1.00 0.20 C ATOM 1781 C TYR C 3 5.055 0.948 -0.476 1.00 0.22 C ATOM 1782 O TYR C 3 3.866 0.706 -0.693 1.00 0.21 O ATOM 1783 CB TYR C 3 6.043 -1.024 0.726 1.00 0.22 C ATOM 1784 CG TYR C 3 7.205 -1.447 1.599 1.00 0.22 C ATOM 1785 CD1 TYR C 3 8.515 -1.289 1.160 1.00 0.24 C ATOM 1786 CD2 TYR C 3 6.997 -1.999 2.856 1.00 0.26 C ATOM 1787 CE1 TYR C 3 9.583 -1.669 1.950 1.00 0.25 C ATOM 1788 CE2 TYR C 3 8.061 -2.381 3.652 1.00 0.28 C ATOM 1789 CZ TYR C 3 9.351 -2.215 3.194 1.00 0.25 C ATOM 1790 OH TYR C 3 10.413 -2.594 3.984 1.00 0.27 O ATOM 0 H TYR C 3 4.104 0.243 2.084 1.00 0.19 H new ATOM 0 HA TYR C 3 6.689 1.010 0.882 1.00 0.20 H new ATOM 0 HB2 TYR C 3 5.154 -1.580 1.023 1.00 0.22 H new ATOM 0 HB3 TYR C 3 6.257 -1.295 -0.308 1.00 0.22 H new ATOM 0 HD1 TYR C 3 8.701 -0.862 0.185 1.00 0.24 H new ATOM 0 HD2 TYR C 3 5.988 -2.132 3.218 1.00 0.26 H new ATOM 0 HE1 TYR C 3 10.594 -1.539 1.594 1.00 0.25 H new ATOM 0 HE2 TYR C 3 7.883 -2.807 4.628 1.00 0.28 H new ATOM 0 HH TYR C 3 11.033 -3.141 3.458 1.00 0.27 H new ATOM 1800 N LYS C 4 5.831 1.636 -1.304 1.00 0.24 N ATOM 1801 CA LYS C 4 5.338 2.175 -2.563 1.00 0.26 C ATOM 1802 C LYS C 4 5.859 1.355 -3.737 1.00 0.29 C ATOM 1803 O LYS C 4 7.067 1.172 -3.889 1.00 0.35 O ATOM 1804 CB LYS C 4 5.777 3.636 -2.720 1.00 0.29 C ATOM 1805 CG LYS C 4 4.752 4.645 -2.224 1.00 0.72 C ATOM 1806 CD LYS C 4 4.976 6.017 -2.845 1.00 0.79 C ATOM 1807 CE LYS C 4 3.812 6.957 -2.575 1.00 1.45 C ATOM 1808 NZ LYS C 4 4.176 8.376 -2.845 1.00 1.62 N ATOM 0 H LYS C 4 6.815 1.835 -1.122 1.00 0.24 H new ATOM 0 HA LYS C 4 4.249 2.125 -2.554 1.00 0.26 H new ATOM 0 HB2 LYS C 4 6.711 3.785 -2.177 1.00 0.29 H new ATOM 0 HB3 LYS C 4 5.985 3.831 -3.772 1.00 0.29 H new ATOM 0 HG2 LYS C 4 3.748 4.295 -2.465 1.00 0.72 H new ATOM 0 HG3 LYS C 4 4.811 4.722 -1.138 1.00 0.72 H new ATOM 0 HD2 LYS C 4 5.893 6.451 -2.447 1.00 0.79 H new ATOM 0 HD3 LYS C 4 5.115 5.911 -3.921 1.00 0.79 H new ATOM 0 HE2 LYS C 4 2.964 6.674 -3.198 1.00 1.45 H new ATOM 0 HE3 LYS C 4 3.494 6.854 -1.538 1.00 1.45 H new ATOM 0 HZ1 LYS C 4 3.358 8.987 -2.650 1.00 1.62 H new ATOM 0 HZ2 LYS C 4 4.969 8.653 -2.233 1.00 1.62 H new ATOM 0 HZ3 LYS C 4 4.455 8.479 -3.841 1.00 1.62 H new ATOM 1822 N VAL C 5 4.944 0.865 -4.567 1.00 0.26 N ATOM 1823 CA VAL C 5 5.324 0.069 -5.726 1.00 0.28 C ATOM 1824 C VAL C 5 4.435 0.377 -6.923 1.00 0.26 C ATOM 1825 O VAL C 5 3.210 0.266 -6.849 1.00 0.26 O ATOM 1826 CB VAL C 5 5.254 -1.440 -5.434 1.00 0.30 C ATOM 1827 CG1 VAL C 5 5.875 -2.225 -6.579 1.00 0.33 C ATOM 1828 CG2 VAL C 5 5.943 -1.768 -4.119 1.00 0.34 C ATOM 0 H VAL C 5 3.939 1.005 -4.459 1.00 0.26 H new ATOM 0 HA VAL C 5 6.355 0.338 -5.957 1.00 0.28 H new ATOM 0 HB VAL C 5 4.206 -1.727 -5.344 1.00 0.30 H new ATOM 0 HG11 VAL C 5 5.820 -3.292 -6.361 1.00 0.33 H new ATOM 0 HG12 VAL C 5 5.333 -2.014 -7.501 1.00 0.33 H new ATOM 0 HG13 VAL C 5 6.918 -1.932 -6.697 1.00 0.33 H new ATOM 0 HG21 VAL C 5 5.881 -2.840 -3.933 1.00 0.34 H new ATOM 0 HG22 VAL C 5 6.990 -1.469 -4.172 1.00 0.34 H new ATOM 0 HG23 VAL C 5 5.453 -1.230 -3.307 1.00 0.34 H new ATOM 1838 N ILE C 6 5.062 0.757 -8.026 1.00 0.29 N ATOM 1839 CA ILE C 6 4.339 1.074 -9.247 1.00 0.30 C ATOM 1840 C ILE C 6 4.234 -0.150 -10.145 1.00 0.30 C ATOM 1841 O ILE C 6 5.244 -0.677 -10.615 1.00 0.36 O ATOM 1842 CB ILE C 6 5.024 2.211 -10.026 1.00 0.36 C ATOM 1843 CG1 ILE C 6 5.428 3.338 -9.073 1.00 0.39 C ATOM 1844 CG2 ILE C 6 4.104 2.733 -11.118 1.00 0.38 C ATOM 1845 CD1 ILE C 6 6.341 4.366 -9.705 1.00 0.49 C ATOM 0 H ILE C 6 6.075 0.853 -8.100 1.00 0.29 H new ATOM 0 HA ILE C 6 3.341 1.398 -8.954 1.00 0.30 H new ATOM 0 HB ILE C 6 5.926 1.820 -10.497 1.00 0.36 H new ATOM 0 HG12 ILE C 6 4.529 3.836 -8.711 1.00 0.39 H new ATOM 0 HG13 ILE C 6 5.926 2.907 -8.204 1.00 0.39 H new ATOM 0 HG21 ILE C 6 4.602 3.537 -11.660 1.00 0.38 H new ATOM 0 HG22 ILE C 6 3.863 1.924 -11.808 1.00 0.38 H new ATOM 0 HG23 ILE C 6 3.186 3.113 -10.670 1.00 0.38 H new ATOM 0 HD11 ILE C 6 6.586 5.134 -8.972 1.00 0.49 H new ATOM 0 HD12 ILE C 6 7.257 3.881 -10.042 1.00 0.49 H new ATOM 0 HD13 ILE C 6 5.838 4.824 -10.557 1.00 0.49 H new ATOM 1857 N LEU C 7 3.007 -0.586 -10.391 1.00 0.30 N ATOM 1858 CA LEU C 7 2.750 -1.733 -11.248 1.00 0.32 C ATOM 1859 C LEU C 7 1.810 -1.304 -12.364 1.00 0.49 C ATOM 1860 O LEU C 7 0.648 -0.983 -12.116 1.00 0.67 O ATOM 1861 CB LEU C 7 2.144 -2.887 -10.436 1.00 0.38 C ATOM 1862 CG LEU C 7 3.136 -3.980 -10.021 1.00 0.38 C ATOM 1863 CD1 LEU C 7 3.715 -3.684 -8.647 1.00 0.94 C ATOM 1864 CD2 LEU C 7 2.467 -5.351 -10.030 1.00 0.43 C ATOM 0 H LEU C 7 2.166 -0.157 -10.004 1.00 0.30 H new ATOM 0 HA LEU C 7 3.686 -2.090 -11.678 1.00 0.32 H new ATOM 0 HB2 LEU C 7 1.683 -2.476 -9.538 1.00 0.38 H new ATOM 0 HB3 LEU C 7 1.347 -3.345 -11.022 1.00 0.38 H new ATOM 0 HG LEU C 7 3.950 -3.990 -10.746 1.00 0.38 H new ATOM 0 HD11 LEU C 7 4.417 -4.471 -8.371 1.00 0.94 H new ATOM 0 HD12 LEU C 7 4.235 -2.726 -8.670 1.00 0.94 H new ATOM 0 HD13 LEU C 7 2.909 -3.642 -7.914 1.00 0.94 H new ATOM 0 HD21 LEU C 7 3.190 -6.111 -9.732 1.00 0.43 H new ATOM 0 HD22 LEU C 7 1.631 -5.352 -9.331 1.00 0.43 H new ATOM 0 HD23 LEU C 7 2.102 -5.571 -11.033 1.00 0.43 H new ATOM 1876 N ASN C 8 2.316 -1.282 -13.591 1.00 0.54 N ATOM 1877 CA ASN C 8 1.521 -0.870 -14.739 1.00 0.76 C ATOM 1878 C ASN C 8 2.116 -1.442 -16.022 1.00 0.82 C ATOM 1879 O ASN C 8 3.146 -0.968 -16.496 1.00 1.52 O ATOM 1880 CB ASN C 8 1.481 0.656 -14.814 1.00 1.03 C ATOM 1881 CG ASN C 8 0.255 1.180 -15.533 1.00 1.72 C ATOM 1882 OD1 ASN C 8 -0.813 0.569 -15.495 1.00 2.49 O ATOM 1883 ND2 ASN C 8 0.406 2.324 -16.190 1.00 2.28 N ATOM 0 H ASN C 8 3.275 -1.545 -13.816 1.00 0.54 H new ATOM 0 HA ASN C 8 0.506 -1.250 -14.626 1.00 0.76 H new ATOM 0 HB2 ASN C 8 1.506 1.065 -13.804 1.00 1.03 H new ATOM 0 HB3 ASN C 8 2.375 1.013 -15.325 1.00 1.03 H new ATOM 0 HD21 ASN C 8 -0.383 2.732 -16.691 1.00 2.28 H new ATOM 0 HD22 ASN C 8 1.311 2.795 -16.193 1.00 2.28 H new ATOM 1890 N GLY C 9 1.477 -2.470 -16.567 1.00 1.28 N ATOM 1891 CA GLY C 9 1.976 -3.099 -17.779 1.00 1.53 C ATOM 1892 C GLY C 9 2.052 -2.158 -18.971 1.00 1.78 C ATOM 1893 O GLY C 9 1.298 -2.308 -19.932 1.00 2.26 O ATOM 0 H GLY C 9 0.622 -2.881 -16.193 1.00 1.28 H new ATOM 0 HA2 GLY C 9 2.969 -3.505 -17.584 1.00 1.53 H new ATOM 0 HA3 GLY C 9 1.331 -3.941 -18.033 1.00 1.53 H new ATOM 1897 N LYS C 10 2.974 -1.198 -18.921 1.00 2.04 N ATOM 1898 CA LYS C 10 3.148 -0.251 -20.018 1.00 2.44 C ATOM 1899 C LYS C 10 3.891 -0.913 -21.175 1.00 2.84 C ATOM 1900 O LYS C 10 5.042 -1.324 -21.030 1.00 3.18 O ATOM 1901 CB LYS C 10 3.922 0.987 -19.548 1.00 2.85 C ATOM 1902 CG LYS C 10 3.033 2.137 -19.096 1.00 3.51 C ATOM 1903 CD LYS C 10 2.814 3.150 -20.210 1.00 4.21 C ATOM 1904 CE LYS C 10 4.087 3.921 -20.528 1.00 4.88 C ATOM 1905 NZ LYS C 10 4.760 4.423 -19.298 1.00 5.59 N ATOM 0 H LYS C 10 3.609 -1.057 -18.135 1.00 2.04 H new ATOM 0 HA LYS C 10 2.160 0.061 -20.358 1.00 2.44 H new ATOM 0 HB2 LYS C 10 4.577 0.702 -18.725 1.00 2.85 H new ATOM 0 HB3 LYS C 10 4.562 1.333 -20.360 1.00 2.85 H new ATOM 0 HG2 LYS C 10 2.071 1.745 -18.766 1.00 3.51 H new ATOM 0 HG3 LYS C 10 3.487 2.632 -18.238 1.00 3.51 H new ATOM 0 HD2 LYS C 10 2.466 2.636 -21.106 1.00 4.21 H new ATOM 0 HD3 LYS C 10 2.029 3.848 -19.918 1.00 4.21 H new ATOM 0 HE2 LYS C 10 4.773 3.277 -21.079 1.00 4.88 H new ATOM 0 HE3 LYS C 10 3.848 4.762 -21.179 1.00 4.88 H new ATOM 0 HZ1 LYS C 10 5.464 5.143 -19.557 1.00 5.59 H new ATOM 0 HZ2 LYS C 10 4.052 4.843 -18.662 1.00 5.59 H new ATOM 0 HZ3 LYS C 10 5.234 3.633 -18.815 1.00 5.59 H new ATOM 1919 N THR C 11 3.227 -1.018 -22.320 1.00 3.34 N ATOM 1920 CA THR C 11 3.832 -1.635 -23.496 1.00 4.06 C ATOM 1921 C THR C 11 3.455 -0.876 -24.763 1.00 4.05 C ATOM 1922 O THR C 11 2.577 -1.299 -25.515 1.00 4.12 O ATOM 1923 CB THR C 11 3.393 -3.096 -23.613 1.00 4.87 C ATOM 1924 OG1 THR C 11 1.993 -3.214 -23.434 1.00 5.12 O ATOM 1925 CG2 THR C 11 4.063 -4.008 -22.606 1.00 5.51 C ATOM 0 H THR C 11 2.273 -0.685 -22.460 1.00 3.34 H new ATOM 0 HA THR C 11 4.915 -1.596 -23.380 1.00 4.06 H new ATOM 0 HB THR C 11 3.692 -3.407 -24.614 1.00 4.87 H new ATOM 0 HG1 THR C 11 1.531 -2.639 -24.080 1.00 5.12 H new ATOM 0 HG21 THR C 11 3.706 -5.028 -22.745 1.00 5.51 H new ATOM 0 HG22 THR C 11 5.143 -3.978 -22.750 1.00 5.51 H new ATOM 0 HG23 THR C 11 3.823 -3.674 -21.597 1.00 5.51 H new ATOM 1933 N LEU C 12 4.124 0.248 -24.994 1.00 4.44 N ATOM 1934 CA LEU C 12 3.858 1.068 -26.170 1.00 4.80 C ATOM 1935 C LEU C 12 4.339 0.376 -27.439 1.00 5.05 C ATOM 1936 O LEU C 12 3.538 -0.026 -28.283 1.00 5.21 O ATOM 1937 CB LEU C 12 4.535 2.432 -26.029 1.00 5.29 C ATOM 1938 CG LEU C 12 4.068 3.265 -24.834 1.00 5.78 C ATOM 1939 CD1 LEU C 12 5.188 4.166 -24.340 1.00 6.04 C ATOM 1940 CD2 LEU C 12 2.843 4.087 -25.206 1.00 6.52 C ATOM 0 H LEU C 12 4.855 0.612 -24.382 1.00 4.44 H new ATOM 0 HA LEU C 12 2.780 1.211 -26.245 1.00 4.80 H new ATOM 0 HB2 LEU C 12 5.611 2.280 -25.948 1.00 5.29 H new ATOM 0 HB3 LEU C 12 4.361 3.003 -26.941 1.00 5.29 H new ATOM 0 HG LEU C 12 3.795 2.586 -24.026 1.00 5.78 H new ATOM 0 HD11 LEU C 12 4.837 4.751 -23.490 1.00 6.04 H new ATOM 0 HD12 LEU C 12 6.038 3.556 -24.034 1.00 6.04 H new ATOM 0 HD13 LEU C 12 5.494 4.839 -25.141 1.00 6.04 H new ATOM 0 HD21 LEU C 12 2.523 4.674 -24.345 1.00 6.52 H new ATOM 0 HD22 LEU C 12 3.091 4.757 -26.030 1.00 6.52 H new ATOM 0 HD23 LEU C 12 2.036 3.420 -25.510 1.00 6.52 H new ATOM 1952 N LYS C 13 5.652 0.243 -27.566 1.00 5.46 N ATOM 1953 CA LYS C 13 6.248 -0.399 -28.733 1.00 5.98 C ATOM 1954 C LYS C 13 7.356 -1.361 -28.317 1.00 6.15 C ATOM 1955 O LYS C 13 8.279 -0.985 -27.595 1.00 6.51 O ATOM 1956 CB LYS C 13 6.804 0.655 -29.692 1.00 6.56 C ATOM 1957 CG LYS C 13 7.157 0.104 -31.064 1.00 6.99 C ATOM 1958 CD LYS C 13 8.418 0.750 -31.615 1.00 7.63 C ATOM 1959 CE LYS C 13 8.094 1.949 -32.491 1.00 8.07 C ATOM 1960 NZ LYS C 13 8.115 1.603 -33.939 1.00 8.53 N ATOM 0 H LYS C 13 6.327 0.571 -26.875 1.00 5.46 H new ATOM 0 HA LYS C 13 5.470 -0.968 -29.242 1.00 5.98 H new ATOM 0 HB2 LYS C 13 6.070 1.452 -29.808 1.00 6.56 H new ATOM 0 HB3 LYS C 13 7.694 1.103 -29.250 1.00 6.56 H new ATOM 0 HG2 LYS C 13 7.298 -0.975 -30.999 1.00 6.99 H new ATOM 0 HG3 LYS C 13 6.328 0.276 -31.751 1.00 6.99 H new ATOM 0 HD2 LYS C 13 9.058 1.063 -30.790 1.00 7.63 H new ATOM 0 HD3 LYS C 13 8.980 0.017 -32.194 1.00 7.63 H new ATOM 0 HE2 LYS C 13 7.111 2.337 -32.225 1.00 8.07 H new ATOM 0 HE3 LYS C 13 8.814 2.744 -32.298 1.00 8.07 H new ATOM 0 HZ1 LYS C 13 7.889 2.448 -34.501 1.00 8.53 H new ATOM 0 HZ2 LYS C 13 9.060 1.257 -34.199 1.00 8.53 H new ATOM 0 HZ3 LYS C 13 7.410 0.862 -34.129 1.00 8.53 H new ATOM 1974 N GLY C 14 7.258 -2.604 -28.777 1.00 6.18 N ATOM 1975 CA GLY C 14 8.257 -3.600 -28.443 1.00 6.53 C ATOM 1976 C GLY C 14 7.798 -5.006 -28.771 1.00 6.41 C ATOM 1977 O GLY C 14 6.799 -5.194 -29.464 1.00 6.82 O ATOM 0 H GLY C 14 6.503 -2.939 -29.376 1.00 6.18 H new ATOM 0 HA2 GLY C 14 9.177 -3.385 -28.986 1.00 6.53 H new ATOM 0 HA3 GLY C 14 8.491 -3.535 -27.380 1.00 6.53 H new ATOM 1981 N GLU C 15 8.529 -5.996 -28.273 1.00 6.13 N ATOM 1982 CA GLU C 15 8.191 -7.392 -28.518 1.00 6.17 C ATOM 1983 C GLU C 15 6.826 -7.734 -27.932 1.00 5.96 C ATOM 1984 O GLU C 15 6.197 -6.908 -27.271 1.00 6.05 O ATOM 1985 CB GLU C 15 9.260 -8.308 -27.923 1.00 6.50 C ATOM 1986 CG GLU C 15 10.437 -8.547 -28.852 1.00 7.21 C ATOM 1987 CD GLU C 15 11.026 -9.936 -28.701 1.00 7.65 C ATOM 1988 OE1 GLU C 15 11.370 -10.312 -27.560 1.00 7.76 O ATOM 1989 OE2 GLU C 15 11.143 -10.646 -29.721 1.00 8.17 O ATOM 0 H GLU C 15 9.359 -5.858 -27.697 1.00 6.13 H new ATOM 0 HA GLU C 15 8.150 -7.546 -29.596 1.00 6.17 H new ATOM 0 HB2 GLU C 15 9.624 -7.872 -26.993 1.00 6.50 H new ATOM 0 HB3 GLU C 15 8.806 -9.266 -27.670 1.00 6.50 H new ATOM 0 HG2 GLU C 15 10.116 -8.403 -29.884 1.00 7.21 H new ATOM 0 HG3 GLU C 15 11.210 -7.805 -28.652 1.00 7.21 H new ATOM 1996 N THR C 16 6.372 -8.958 -28.181 1.00 6.08 N ATOM 1997 CA THR C 16 5.080 -9.413 -27.681 1.00 6.24 C ATOM 1998 C THR C 16 5.248 -10.236 -26.406 1.00 5.78 C ATOM 1999 O THR C 16 4.520 -11.204 -26.181 1.00 6.02 O ATOM 2000 CB THR C 16 4.362 -10.241 -28.748 1.00 6.95 C ATOM 2001 OG1 THR C 16 3.103 -10.686 -28.277 1.00 7.16 O ATOM 2002 CG2 THR C 16 5.146 -11.460 -29.185 1.00 7.69 C ATOM 0 H THR C 16 6.881 -9.653 -28.727 1.00 6.08 H new ATOM 0 HA THR C 16 4.478 -8.535 -27.446 1.00 6.24 H new ATOM 0 HB THR C 16 4.249 -9.574 -29.603 1.00 6.95 H new ATOM 0 HG1 THR C 16 3.213 -11.110 -27.400 1.00 7.16 H new ATOM 0 HG21 THR C 16 4.581 -12.003 -29.943 1.00 7.69 H new ATOM 0 HG22 THR C 16 6.104 -11.147 -29.601 1.00 7.69 H new ATOM 0 HG23 THR C 16 5.318 -12.109 -28.326 1.00 7.69 H new ATOM 2010 N THR C 17 6.210 -9.846 -25.576 1.00 5.46 N ATOM 2011 CA THR C 17 6.475 -10.549 -24.323 1.00 5.30 C ATOM 2012 C THR C 17 5.432 -10.195 -23.264 1.00 4.62 C ATOM 2013 O THR C 17 4.549 -9.372 -23.499 1.00 4.68 O ATOM 2014 CB THR C 17 7.876 -10.213 -23.815 1.00 5.78 C ATOM 2015 OG1 THR C 17 8.002 -8.822 -23.576 1.00 6.14 O ATOM 2016 CG2 THR C 17 8.973 -10.616 -24.776 1.00 6.74 C ATOM 0 H THR C 17 6.820 -9.047 -25.747 1.00 5.46 H new ATOM 0 HA THR C 17 6.414 -11.620 -24.516 1.00 5.30 H new ATOM 0 HB THR C 17 7.995 -10.784 -22.894 1.00 5.78 H new ATOM 0 HG1 THR C 17 8.905 -8.627 -23.250 1.00 6.14 H new ATOM 0 HG21 THR C 17 9.942 -10.349 -24.354 1.00 6.74 H new ATOM 0 HG22 THR C 17 8.934 -11.693 -24.942 1.00 6.74 H new ATOM 0 HG23 THR C 17 8.835 -10.097 -25.724 1.00 6.74 H new ATOM 2024 N THR C 18 5.538 -10.828 -22.096 1.00 4.29 N ATOM 2025 CA THR C 18 4.598 -10.583 -21.002 1.00 3.91 C ATOM 2026 C THR C 18 4.899 -9.263 -20.295 1.00 3.33 C ATOM 2027 O THR C 18 5.674 -8.447 -20.794 1.00 3.46 O ATOM 2028 CB THR C 18 4.636 -11.744 -20.006 1.00 4.52 C ATOM 2029 OG1 THR C 18 5.822 -11.707 -19.234 1.00 5.01 O ATOM 2030 CG2 THR C 18 4.563 -13.100 -20.675 1.00 5.16 C ATOM 0 H THR C 18 6.263 -11.513 -21.883 1.00 4.29 H new ATOM 0 HA THR C 18 3.596 -10.511 -21.426 1.00 3.91 H new ATOM 0 HB THR C 18 3.756 -11.616 -19.376 1.00 4.52 H new ATOM 0 HG1 THR C 18 5.825 -12.457 -18.603 1.00 5.01 H new ATOM 0 HG21 THR C 18 4.594 -13.882 -19.916 1.00 5.16 H new ATOM 0 HG22 THR C 18 3.633 -13.178 -21.239 1.00 5.16 H new ATOM 0 HG23 THR C 18 5.409 -13.218 -21.352 1.00 5.16 H new ATOM 2038 N GLU C 19 4.271 -9.044 -19.135 1.00 3.12 N ATOM 2039 CA GLU C 19 4.475 -7.803 -18.386 1.00 2.74 C ATOM 2040 C GLU C 19 4.765 -8.061 -16.923 1.00 1.69 C ATOM 2041 O GLU C 19 5.723 -7.546 -16.348 1.00 1.94 O ATOM 2042 CB GLU C 19 3.257 -6.889 -18.542 1.00 3.74 C ATOM 2043 CG GLU C 19 1.935 -7.573 -18.228 1.00 4.69 C ATOM 2044 CD GLU C 19 0.730 -6.748 -18.638 1.00 5.68 C ATOM 2045 OE1 GLU C 19 0.880 -5.866 -19.508 1.00 6.37 O ATOM 2046 OE2 GLU C 19 -0.367 -6.989 -18.090 1.00 6.06 O ATOM 0 H GLU C 19 3.625 -9.702 -18.700 1.00 3.12 H new ATOM 0 HA GLU C 19 5.352 -7.306 -18.802 1.00 2.74 H new ATOM 0 HB2 GLU C 19 3.375 -6.027 -17.886 1.00 3.74 H new ATOM 0 HB3 GLU C 19 3.226 -6.510 -19.564 1.00 3.74 H new ATOM 0 HG2 GLU C 19 1.900 -8.536 -18.738 1.00 4.69 H new ATOM 0 HG3 GLU C 19 1.882 -7.777 -17.158 1.00 4.69 H new ATOM 2053 N ALA C 20 3.927 -8.873 -16.356 1.00 1.18 N ATOM 2054 CA ALA C 20 4.022 -9.280 -14.950 1.00 1.14 C ATOM 2055 C ALA C 20 3.571 -8.187 -13.981 1.00 1.08 C ATOM 2056 O ALA C 20 2.803 -8.457 -13.058 1.00 1.90 O ATOM 2057 CB ALA C 20 5.433 -9.732 -14.616 1.00 1.96 C ATOM 0 H ALA C 20 3.137 -9.290 -16.849 1.00 1.18 H new ATOM 0 HA ALA C 20 3.336 -10.118 -14.824 1.00 1.14 H new ATOM 0 HB1 ALA C 20 5.481 -10.029 -13.568 1.00 1.96 H new ATOM 0 HB2 ALA C 20 5.703 -10.579 -15.247 1.00 1.96 H new ATOM 0 HB3 ALA C 20 6.129 -8.912 -14.793 1.00 1.96 H new ATOM 2063 N VAL C 21 4.042 -6.959 -14.182 1.00 0.59 N ATOM 2064 CA VAL C 21 3.666 -5.851 -13.305 1.00 0.43 C ATOM 2065 C VAL C 21 2.254 -5.361 -13.616 1.00 0.37 C ATOM 2066 O VAL C 21 2.047 -4.194 -13.943 1.00 0.38 O ATOM 2067 CB VAL C 21 4.646 -4.666 -13.421 1.00 0.47 C ATOM 2068 CG1 VAL C 21 5.993 -5.032 -12.826 1.00 1.13 C ATOM 2069 CG2 VAL C 21 4.800 -4.233 -14.869 1.00 1.18 C ATOM 0 H VAL C 21 4.679 -6.706 -14.937 1.00 0.59 H new ATOM 0 HA VAL C 21 3.703 -6.236 -12.286 1.00 0.43 H new ATOM 0 HB VAL C 21 4.237 -3.827 -12.858 1.00 0.47 H new ATOM 0 HG11 VAL C 21 6.673 -4.185 -12.916 1.00 1.13 H new ATOM 0 HG12 VAL C 21 5.869 -5.287 -11.774 1.00 1.13 H new ATOM 0 HG13 VAL C 21 6.406 -5.887 -13.360 1.00 1.13 H new ATOM 0 HG21 VAL C 21 5.496 -3.396 -14.926 1.00 1.18 H new ATOM 0 HG22 VAL C 21 5.184 -5.065 -15.459 1.00 1.18 H new ATOM 0 HG23 VAL C 21 3.831 -3.927 -15.262 1.00 1.18 H new ATOM 2079 N ASP C 22 1.286 -6.265 -13.509 1.00 0.32 N ATOM 2080 CA ASP C 22 -0.108 -5.932 -13.775 1.00 0.29 C ATOM 2081 C ASP C 22 -0.844 -5.650 -12.479 1.00 0.26 C ATOM 2082 O ASP C 22 -0.587 -6.273 -11.451 1.00 0.26 O ATOM 2083 CB ASP C 22 -0.792 -7.076 -14.527 1.00 0.29 C ATOM 2084 CG ASP C 22 -1.923 -6.599 -15.414 1.00 0.77 C ATOM 2085 OD1 ASP C 22 -2.427 -5.479 -15.185 1.00 1.65 O ATOM 2086 OD2 ASP C 22 -2.311 -7.346 -16.337 1.00 1.32 O ATOM 0 H ASP C 22 1.442 -7.236 -13.239 1.00 0.32 H new ATOM 0 HA ASP C 22 -0.135 -5.035 -14.394 1.00 0.29 H new ATOM 0 HB2 ASP C 22 -0.054 -7.598 -15.136 1.00 0.29 H new ATOM 0 HB3 ASP C 22 -1.179 -7.798 -13.808 1.00 0.29 H new ATOM 2091 N ALA C 23 -1.772 -4.711 -12.546 1.00 0.25 N ATOM 2092 CA ALA C 23 -2.568 -4.339 -11.392 1.00 0.26 C ATOM 2093 C ALA C 23 -3.196 -5.573 -10.745 1.00 0.25 C ATOM 2094 O ALA C 23 -3.136 -5.750 -9.528 1.00 0.25 O ATOM 2095 CB ALA C 23 -3.630 -3.349 -11.829 1.00 0.30 C ATOM 0 H ALA C 23 -1.993 -4.190 -13.394 1.00 0.25 H new ATOM 0 HA ALA C 23 -1.929 -3.872 -10.642 1.00 0.26 H new ATOM 0 HB1 ALA C 23 -4.235 -3.062 -10.969 1.00 0.30 H new ATOM 0 HB2 ALA C 23 -3.152 -2.464 -12.248 1.00 0.30 H new ATOM 0 HB3 ALA C 23 -4.267 -3.809 -12.584 1.00 0.30 H new ATOM 2101 N ALA C 24 -3.782 -6.431 -11.575 1.00 0.26 N ATOM 2102 CA ALA C 24 -4.405 -7.660 -11.098 1.00 0.29 C ATOM 2103 C ALA C 24 -3.357 -8.614 -10.533 1.00 0.27 C ATOM 2104 O ALA C 24 -3.633 -9.380 -9.609 1.00 0.29 O ATOM 2105 CB ALA C 24 -5.185 -8.330 -12.221 1.00 0.33 C ATOM 0 H ALA C 24 -3.838 -6.296 -12.585 1.00 0.26 H new ATOM 0 HA ALA C 24 -5.099 -7.404 -10.298 1.00 0.29 H new ATOM 0 HB1 ALA C 24 -5.644 -9.246 -11.849 1.00 0.33 H new ATOM 0 HB2 ALA C 24 -5.962 -7.654 -12.578 1.00 0.33 H new ATOM 0 HB3 ALA C 24 -4.508 -8.570 -13.041 1.00 0.33 H new ATOM 2111 N THR C 25 -2.152 -8.561 -11.095 1.00 0.25 N ATOM 2112 CA THR C 25 -1.058 -9.419 -10.648 1.00 0.26 C ATOM 2113 C THR C 25 -0.666 -9.093 -9.214 1.00 0.22 C ATOM 2114 O THR C 25 -0.393 -9.986 -8.413 1.00 0.23 O ATOM 2115 CB THR C 25 0.163 -9.242 -11.559 1.00 0.30 C ATOM 2116 OG1 THR C 25 -0.142 -9.621 -12.890 1.00 0.38 O ATOM 2117 CG2 THR C 25 1.368 -10.045 -11.115 1.00 0.29 C ATOM 0 H THR C 25 -1.908 -7.933 -11.861 1.00 0.25 H new ATOM 0 HA THR C 25 -1.401 -10.452 -10.695 1.00 0.26 H new ATOM 0 HB THR C 25 0.413 -8.183 -11.499 1.00 0.30 H new ATOM 0 HG1 THR C 25 0.622 -9.420 -13.470 1.00 0.38 H new ATOM 0 HG21 THR C 25 2.194 -9.872 -11.804 1.00 0.29 H new ATOM 0 HG22 THR C 25 1.662 -9.736 -10.112 1.00 0.29 H new ATOM 0 HG23 THR C 25 1.116 -11.106 -11.109 1.00 0.29 H new ATOM 2125 N PHE C 26 -0.639 -7.805 -8.902 1.00 0.21 N ATOM 2126 CA PHE C 26 -0.276 -7.362 -7.565 1.00 0.22 C ATOM 2127 C PHE C 26 -1.314 -7.819 -6.546 1.00 0.23 C ATOM 2128 O PHE C 26 -0.973 -8.413 -5.524 1.00 0.23 O ATOM 2129 CB PHE C 26 -0.117 -5.842 -7.516 1.00 0.26 C ATOM 2130 CG PHE C 26 0.719 -5.382 -6.355 1.00 0.26 C ATOM 2131 CD1 PHE C 26 2.032 -5.807 -6.227 1.00 0.32 C ATOM 2132 CD2 PHE C 26 0.196 -4.535 -5.393 1.00 0.27 C ATOM 2133 CE1 PHE C 26 2.808 -5.396 -5.161 1.00 0.37 C ATOM 2134 CE2 PHE C 26 0.969 -4.119 -4.324 1.00 0.30 C ATOM 2135 CZ PHE C 26 2.276 -4.551 -4.208 1.00 0.34 C ATOM 0 H PHE C 26 -0.863 -7.053 -9.553 1.00 0.21 H new ATOM 0 HA PHE C 26 0.683 -7.814 -7.311 1.00 0.22 H new ATOM 0 HB2 PHE C 26 0.339 -5.499 -8.445 1.00 0.26 H new ATOM 0 HB3 PHE C 26 -1.102 -5.380 -7.454 1.00 0.26 H new ATOM 0 HD1 PHE C 26 2.454 -6.468 -6.970 1.00 0.32 H new ATOM 0 HD2 PHE C 26 -0.826 -4.196 -5.478 1.00 0.27 H new ATOM 0 HE1 PHE C 26 3.830 -5.735 -5.073 1.00 0.37 H new ATOM 0 HE2 PHE C 26 0.551 -3.457 -3.580 1.00 0.30 H new ATOM 0 HZ PHE C 26 2.880 -4.228 -3.373 1.00 0.34 H new ATOM 2145 N GLU C 27 -2.582 -7.543 -6.831 1.00 0.27 N ATOM 2146 CA GLU C 27 -3.666 -7.931 -5.933 1.00 0.31 C ATOM 2147 C GLU C 27 -3.624 -9.429 -5.640 1.00 0.30 C ATOM 2148 O GLU C 27 -3.712 -9.849 -4.486 1.00 0.30 O ATOM 2149 CB GLU C 27 -5.021 -7.555 -6.538 1.00 0.37 C ATOM 2150 CG GLU C 27 -5.191 -6.063 -6.775 1.00 1.06 C ATOM 2151 CD GLU C 27 -6.522 -5.723 -7.418 1.00 1.45 C ATOM 2152 OE1 GLU C 27 -7.501 -6.463 -7.183 1.00 1.83 O ATOM 2153 OE2 GLU C 27 -6.586 -4.718 -8.156 1.00 2.05 O ATOM 0 H GLU C 27 -2.885 -7.054 -7.673 1.00 0.27 H new ATOM 0 HA GLU C 27 -3.534 -7.392 -4.995 1.00 0.31 H new ATOM 0 HB2 GLU C 27 -5.145 -8.081 -7.485 1.00 0.37 H new ATOM 0 HB3 GLU C 27 -5.814 -7.901 -5.875 1.00 0.37 H new ATOM 0 HG2 GLU C 27 -5.105 -5.536 -5.825 1.00 1.06 H new ATOM 0 HG3 GLU C 27 -4.382 -5.705 -7.412 1.00 1.06 H new ATOM 2160 N LYS C 28 -3.518 -10.230 -6.695 1.00 0.29 N ATOM 2161 CA LYS C 28 -3.496 -11.683 -6.560 1.00 0.29 C ATOM 2162 C LYS C 28 -2.242 -12.180 -5.838 1.00 0.27 C ATOM 2163 O LYS C 28 -2.344 -12.924 -4.863 1.00 0.27 O ATOM 2164 CB LYS C 28 -3.593 -12.337 -7.940 1.00 0.30 C ATOM 2165 CG LYS C 28 -3.723 -13.850 -7.890 1.00 0.33 C ATOM 2166 CD LYS C 28 -3.612 -14.468 -9.275 1.00 0.47 C ATOM 2167 CE LYS C 28 -4.903 -14.310 -10.063 1.00 1.16 C ATOM 2168 NZ LYS C 28 -5.182 -15.495 -10.923 1.00 1.79 N ATOM 0 H LYS C 28 -3.446 -9.897 -7.656 1.00 0.29 H new ATOM 0 HA LYS C 28 -4.356 -11.966 -5.953 1.00 0.29 H new ATOM 0 HB2 LYS C 28 -4.452 -11.924 -8.468 1.00 0.30 H new ATOM 0 HB3 LYS C 28 -2.707 -12.076 -8.519 1.00 0.30 H new ATOM 0 HG2 LYS C 28 -2.947 -14.261 -7.244 1.00 0.33 H new ATOM 0 HG3 LYS C 28 -4.682 -14.119 -7.447 1.00 0.33 H new ATOM 0 HD2 LYS C 28 -2.793 -13.998 -9.819 1.00 0.47 H new ATOM 0 HD3 LYS C 28 -3.368 -15.526 -9.183 1.00 0.47 H new ATOM 0 HE2 LYS C 28 -5.733 -14.160 -9.372 1.00 1.16 H new ATOM 0 HE3 LYS C 28 -4.841 -13.417 -10.685 1.00 1.16 H new ATOM 0 HZ1 LYS C 28 -6.071 -15.346 -11.442 1.00 1.79 H new ATOM 0 HZ2 LYS C 28 -4.403 -15.624 -11.600 1.00 1.79 H new ATOM 0 HZ3 LYS C 28 -5.267 -16.344 -10.328 1.00 1.79 H new ATOM 2182 N VAL C 29 -1.062 -11.774 -6.307 1.00 0.25 N ATOM 2183 CA VAL C 29 0.192 -12.197 -5.681 1.00 0.24 C ATOM 2184 C VAL C 29 0.324 -11.677 -4.259 1.00 0.23 C ATOM 2185 O VAL C 29 0.720 -12.409 -3.356 1.00 0.23 O ATOM 2186 CB VAL C 29 1.428 -11.718 -6.471 1.00 0.23 C ATOM 2187 CG1 VAL C 29 2.717 -12.179 -5.790 1.00 0.24 C ATOM 2188 CG2 VAL C 29 1.371 -12.204 -7.910 1.00 0.24 C ATOM 0 H VAL C 29 -0.948 -11.158 -7.112 1.00 0.25 H new ATOM 0 HA VAL C 29 0.156 -13.286 -5.676 1.00 0.24 H new ATOM 0 HB VAL C 29 1.423 -10.628 -6.483 1.00 0.23 H new ATOM 0 HG11 VAL C 29 3.576 -11.831 -6.363 1.00 0.24 H new ATOM 0 HG12 VAL C 29 2.763 -11.768 -4.782 1.00 0.24 H new ATOM 0 HG13 VAL C 29 2.732 -13.268 -5.739 1.00 0.24 H new ATOM 0 HG21 VAL C 29 2.252 -11.854 -8.447 1.00 0.24 H new ATOM 0 HG22 VAL C 29 1.345 -13.294 -7.925 1.00 0.24 H new ATOM 0 HG23 VAL C 29 0.474 -11.813 -8.391 1.00 0.24 H new ATOM 2198 N VAL C 30 0.013 -10.405 -4.075 1.00 0.23 N ATOM 2199 CA VAL C 30 0.128 -9.787 -2.766 1.00 0.24 C ATOM 2200 C VAL C 30 -0.898 -10.346 -1.800 1.00 0.24 C ATOM 2201 O VAL C 30 -0.589 -10.595 -0.636 1.00 0.25 O ATOM 2202 CB VAL C 30 -0.006 -8.253 -2.846 1.00 0.25 C ATOM 2203 CG1 VAL C 30 0.216 -7.618 -1.482 1.00 0.26 C ATOM 2204 CG2 VAL C 30 0.969 -7.686 -3.866 1.00 0.26 C ATOM 0 H VAL C 30 -0.319 -9.783 -4.812 1.00 0.23 H new ATOM 0 HA VAL C 30 1.124 -10.024 -2.392 1.00 0.24 H new ATOM 0 HB VAL C 30 -1.020 -8.016 -3.168 1.00 0.25 H new ATOM 0 HG11 VAL C 30 0.116 -6.536 -1.564 1.00 0.26 H new ATOM 0 HG12 VAL C 30 -0.525 -7.998 -0.779 1.00 0.26 H new ATOM 0 HG13 VAL C 30 1.216 -7.864 -1.124 1.00 0.26 H new ATOM 0 HG21 VAL C 30 0.861 -6.602 -3.909 1.00 0.26 H new ATOM 0 HG22 VAL C 30 1.989 -7.937 -3.574 1.00 0.26 H new ATOM 0 HG23 VAL C 30 0.758 -8.111 -4.847 1.00 0.26 H new ATOM 2214 N LYS C 31 -2.114 -10.557 -2.276 1.00 0.24 N ATOM 2215 CA LYS C 31 -3.158 -11.101 -1.430 1.00 0.25 C ATOM 2216 C LYS C 31 -2.888 -12.575 -1.128 1.00 0.25 C ATOM 2217 O LYS C 31 -2.976 -13.007 0.019 1.00 0.26 O ATOM 2218 CB LYS C 31 -4.523 -10.932 -2.102 1.00 0.26 C ATOM 2219 CG LYS C 31 -5.679 -11.482 -1.287 1.00 0.32 C ATOM 2220 CD LYS C 31 -6.935 -11.616 -2.133 1.00 0.65 C ATOM 2221 CE LYS C 31 -8.128 -12.039 -1.294 1.00 0.88 C ATOM 2222 NZ LYS C 31 -9.331 -12.301 -2.132 1.00 1.39 N ATOM 0 H LYS C 31 -2.399 -10.361 -3.236 1.00 0.24 H new ATOM 0 HA LYS C 31 -3.164 -10.554 -0.487 1.00 0.25 H new ATOM 0 HB2 LYS C 31 -4.696 -9.873 -2.291 1.00 0.26 H new ATOM 0 HB3 LYS C 31 -4.505 -11.430 -3.071 1.00 0.26 H new ATOM 0 HG2 LYS C 31 -5.408 -12.455 -0.878 1.00 0.32 H new ATOM 0 HG3 LYS C 31 -5.876 -10.824 -0.441 1.00 0.32 H new ATOM 0 HD2 LYS C 31 -7.150 -10.665 -2.620 1.00 0.65 H new ATOM 0 HD3 LYS C 31 -6.767 -12.348 -2.923 1.00 0.65 H new ATOM 0 HE2 LYS C 31 -7.875 -12.937 -0.731 1.00 0.88 H new ATOM 0 HE3 LYS C 31 -8.355 -11.260 -0.567 1.00 0.88 H new ATOM 0 HZ1 LYS C 31 -10.123 -12.587 -1.522 1.00 1.39 H new ATOM 0 HZ2 LYS C 31 -9.588 -11.437 -2.651 1.00 1.39 H new ATOM 0 HZ3 LYS C 31 -9.123 -13.062 -2.809 1.00 1.39 H new ATOM 2236 N GLN C 32 -2.542 -13.340 -2.161 1.00 0.25 N ATOM 2237 CA GLN C 32 -2.247 -14.761 -1.994 1.00 0.26 C ATOM 2238 C GLN C 32 -1.011 -14.974 -1.126 1.00 0.25 C ATOM 2239 O GLN C 32 -0.995 -15.844 -0.255 1.00 0.24 O ATOM 2240 CB GLN C 32 -2.046 -15.432 -3.352 1.00 0.27 C ATOM 2241 CG GLN C 32 -1.867 -16.939 -3.261 1.00 0.30 C ATOM 2242 CD GLN C 32 -3.160 -17.695 -3.503 1.00 0.99 C ATOM 2243 OE1 GLN C 32 -4.095 -17.169 -4.105 1.00 1.82 O ATOM 2244 NE2 GLN C 32 -3.220 -18.937 -3.032 1.00 1.61 N ATOM 0 H GLN C 32 -2.459 -13.001 -3.119 1.00 0.25 H new ATOM 0 HA GLN C 32 -3.101 -15.216 -1.493 1.00 0.26 H new ATOM 0 HB2 GLN C 32 -2.904 -15.213 -3.987 1.00 0.27 H new ATOM 0 HB3 GLN C 32 -1.171 -14.998 -3.837 1.00 0.27 H new ATOM 0 HG2 GLN C 32 -1.122 -17.258 -3.990 1.00 0.30 H new ATOM 0 HG3 GLN C 32 -1.479 -17.196 -2.276 1.00 0.30 H new ATOM 0 HE21 GLN C 32 -2.421 -19.334 -2.538 1.00 1.61 H new ATOM 0 HE22 GLN C 32 -4.065 -19.492 -3.164 1.00 1.61 H new ATOM 2253 N PHE C 33 0.021 -14.168 -1.358 1.00 0.25 N ATOM 2254 CA PHE C 33 1.256 -14.259 -0.592 1.00 0.25 C ATOM 2255 C PHE C 33 1.056 -13.939 0.886 1.00 0.24 C ATOM 2256 O PHE C 33 1.548 -14.655 1.758 1.00 0.23 O ATOM 2257 CB PHE C 33 2.293 -13.319 -1.217 1.00 0.26 C ATOM 2258 CG PHE C 33 3.383 -12.866 -0.291 1.00 0.26 C ATOM 2259 CD1 PHE C 33 4.215 -13.766 0.350 1.00 0.28 C ATOM 2260 CD2 PHE C 33 3.573 -11.512 -0.079 1.00 0.27 C ATOM 2261 CE1 PHE C 33 5.218 -13.318 1.195 1.00 0.29 C ATOM 2262 CE2 PHE C 33 4.570 -11.058 0.759 1.00 0.29 C ATOM 2263 CZ PHE C 33 5.394 -11.958 1.399 1.00 0.30 C ATOM 0 H PHE C 33 0.024 -13.442 -2.074 1.00 0.25 H new ATOM 0 HA PHE C 33 1.608 -15.290 -0.633 1.00 0.25 H new ATOM 0 HB2 PHE C 33 2.748 -13.822 -2.070 1.00 0.26 H new ATOM 0 HB3 PHE C 33 1.777 -12.440 -1.603 1.00 0.26 H new ATOM 0 HD1 PHE C 33 4.082 -14.826 0.191 1.00 0.28 H new ATOM 0 HD2 PHE C 33 2.931 -10.800 -0.577 1.00 0.27 H new ATOM 0 HE1 PHE C 33 5.862 -14.027 1.694 1.00 0.29 H new ATOM 0 HE2 PHE C 33 4.705 -9.998 0.913 1.00 0.29 H new ATOM 0 HZ PHE C 33 6.174 -11.605 2.057 1.00 0.30 H new ATOM 2273 N PHE C 34 0.349 -12.852 1.153 1.00 0.25 N ATOM 2274 CA PHE C 34 0.101 -12.412 2.521 1.00 0.25 C ATOM 2275 C PHE C 34 -1.007 -13.220 3.217 1.00 0.25 C ATOM 2276 O PHE C 34 -0.965 -13.409 4.432 1.00 0.25 O ATOM 2277 CB PHE C 34 -0.177 -10.904 2.538 1.00 0.29 C ATOM 2278 CG PHE C 34 1.094 -10.080 2.472 1.00 0.29 C ATOM 2279 CD1 PHE C 34 2.017 -10.123 3.509 1.00 0.52 C ATOM 2280 CD2 PHE C 34 1.386 -9.291 1.366 1.00 0.44 C ATOM 2281 CE1 PHE C 34 3.194 -9.402 3.453 1.00 0.57 C ATOM 2282 CE2 PHE C 34 2.574 -8.569 1.303 1.00 0.42 C ATOM 2283 CZ PHE C 34 3.478 -8.628 2.354 1.00 0.33 C ATOM 0 H PHE C 34 -0.066 -12.254 0.438 1.00 0.25 H new ATOM 0 HA PHE C 34 1.001 -12.604 3.105 1.00 0.25 H new ATOM 0 HB2 PHE C 34 -0.818 -10.646 1.695 1.00 0.29 H new ATOM 0 HB3 PHE C 34 -0.725 -10.649 3.445 1.00 0.29 H new ATOM 0 HD1 PHE C 34 1.810 -10.732 4.376 1.00 0.52 H new ATOM 0 HD2 PHE C 34 0.684 -9.238 0.547 1.00 0.44 H new ATOM 0 HE1 PHE C 34 3.893 -9.447 4.275 1.00 0.57 H new ATOM 0 HE2 PHE C 34 2.792 -7.963 0.436 1.00 0.42 H new ATOM 0 HZ PHE C 34 4.400 -8.068 2.308 1.00 0.33 H new ATOM 2293 N ASN C 35 -1.990 -13.709 2.463 1.00 0.26 N ATOM 2294 CA ASN C 35 -3.074 -14.503 3.055 1.00 0.28 C ATOM 2295 C ASN C 35 -2.512 -15.673 3.865 1.00 0.28 C ATOM 2296 O ASN C 35 -3.085 -16.084 4.874 1.00 0.28 O ATOM 2297 CB ASN C 35 -4.013 -15.025 1.964 1.00 0.29 C ATOM 2298 CG ASN C 35 -5.033 -13.994 1.497 1.00 0.30 C ATOM 2299 OD1 ASN C 35 -6.058 -14.349 0.915 1.00 0.32 O ATOM 2300 ND2 ASN C 35 -4.765 -12.713 1.742 1.00 0.30 N ATOM 0 H ASN C 35 -2.062 -13.574 1.455 1.00 0.26 H new ATOM 0 HA ASN C 35 -3.638 -13.856 3.727 1.00 0.28 H new ATOM 0 HB2 ASN C 35 -3.419 -15.350 1.110 1.00 0.29 H new ATOM 0 HB3 ASN C 35 -4.540 -15.902 2.338 1.00 0.29 H new ATOM 0 HD21 ASN C 35 -5.419 -11.989 1.445 1.00 0.30 H new ATOM 0 HD22 ASN C 35 -3.905 -12.456 2.227 1.00 0.30 H new ATOM 2307 N ASP C 36 -1.380 -16.190 3.409 1.00 0.29 N ATOM 2308 CA ASP C 36 -0.695 -17.305 4.060 1.00 0.30 C ATOM 2309 C ASP C 36 -0.328 -16.987 5.517 1.00 0.29 C ATOM 2310 O ASP C 36 -0.030 -17.891 6.298 1.00 0.30 O ATOM 2311 CB ASP C 36 0.565 -17.672 3.271 1.00 0.31 C ATOM 2312 CG ASP C 36 0.252 -18.203 1.883 1.00 0.37 C ATOM 2313 OD1 ASP C 36 -0.753 -18.929 1.737 1.00 1.16 O ATOM 2314 OD2 ASP C 36 1.016 -17.894 0.943 1.00 1.18 O ATOM 0 H ASP C 36 -0.906 -15.848 2.573 1.00 0.29 H new ATOM 0 HA ASP C 36 -1.382 -18.151 4.074 1.00 0.30 H new ATOM 0 HB2 ASP C 36 1.203 -16.793 3.184 1.00 0.31 H new ATOM 0 HB3 ASP C 36 1.130 -18.423 3.824 1.00 0.31 H new ATOM 2319 N ASN C 37 -0.338 -15.703 5.874 1.00 0.29 N ATOM 2320 CA ASN C 37 0.009 -15.297 7.237 1.00 0.29 C ATOM 2321 C ASN C 37 -1.196 -14.775 8.027 1.00 0.28 C ATOM 2322 O ASN C 37 -1.072 -14.458 9.210 1.00 0.29 O ATOM 2323 CB ASN C 37 1.131 -14.257 7.221 1.00 0.30 C ATOM 2324 CG ASN C 37 0.682 -12.915 6.689 1.00 0.81 C ATOM 2325 OD1 ASN C 37 -0.043 -12.179 7.356 1.00 1.62 O ATOM 2326 ND2 ASN C 37 1.119 -12.589 5.482 1.00 0.58 N ATOM 0 H ASN C 37 -0.579 -14.934 5.248 1.00 0.29 H new ATOM 0 HA ASN C 37 0.359 -16.193 7.751 1.00 0.29 H new ATOM 0 HB2 ASN C 37 1.517 -14.131 8.233 1.00 0.30 H new ATOM 0 HB3 ASN C 37 1.954 -14.627 6.610 1.00 0.30 H new ATOM 0 HD21 ASN C 37 0.856 -11.695 5.069 1.00 0.58 H new ATOM 0 HD22 ASN C 37 1.719 -13.232 4.966 1.00 0.58 H new ATOM 2333 N GLY C 38 -2.359 -14.698 7.387 1.00 0.26 N ATOM 2334 CA GLY C 38 -3.547 -14.229 8.082 1.00 0.26 C ATOM 2335 C GLY C 38 -3.903 -12.786 7.770 1.00 0.25 C ATOM 2336 O GLY C 38 -4.175 -12.000 8.678 1.00 0.25 O ATOM 0 H GLY C 38 -2.501 -14.949 6.409 1.00 0.26 H new ATOM 0 HA2 GLY C 38 -4.389 -14.868 7.817 1.00 0.26 H new ATOM 0 HA3 GLY C 38 -3.394 -14.333 9.156 1.00 0.26 H new ATOM 2340 N VAL C 39 -3.944 -12.445 6.486 1.00 0.25 N ATOM 2341 CA VAL C 39 -4.319 -11.100 6.057 1.00 0.25 C ATOM 2342 C VAL C 39 -5.480 -11.206 5.087 1.00 0.25 C ATOM 2343 O VAL C 39 -5.492 -12.093 4.232 1.00 0.26 O ATOM 2344 CB VAL C 39 -3.151 -10.341 5.382 1.00 0.25 C ATOM 2345 CG1 VAL C 39 -3.574 -8.928 4.981 1.00 0.25 C ATOM 2346 CG2 VAL C 39 -1.949 -10.295 6.309 1.00 0.25 C ATOM 0 H VAL C 39 -3.722 -13.083 5.722 1.00 0.25 H new ATOM 0 HA VAL C 39 -4.598 -10.532 6.945 1.00 0.25 H new ATOM 0 HB VAL C 39 -2.874 -10.878 4.475 1.00 0.25 H new ATOM 0 HG11 VAL C 39 -2.735 -8.417 4.509 1.00 0.25 H new ATOM 0 HG12 VAL C 39 -4.406 -8.983 4.279 1.00 0.25 H new ATOM 0 HG13 VAL C 39 -3.883 -8.375 5.868 1.00 0.25 H new ATOM 0 HG21 VAL C 39 -1.135 -9.759 5.822 1.00 0.25 H new ATOM 0 HG22 VAL C 39 -2.221 -9.783 7.232 1.00 0.25 H new ATOM 0 HG23 VAL C 39 -1.628 -11.311 6.539 1.00 0.25 H new ATOM 2356 N ASP C 40 -6.467 -10.332 5.217 1.00 0.25 N ATOM 2357 CA ASP C 40 -7.622 -10.392 4.335 1.00 0.25 C ATOM 2358 C ASP C 40 -8.236 -9.014 4.114 1.00 0.24 C ATOM 2359 O ASP C 40 -7.711 -7.998 4.572 1.00 0.23 O ATOM 2360 CB ASP C 40 -8.674 -11.343 4.914 1.00 0.27 C ATOM 2361 CG ASP C 40 -8.149 -12.756 5.081 1.00 0.39 C ATOM 2362 OD1 ASP C 40 -8.032 -13.471 4.063 1.00 1.04 O ATOM 2363 OD2 ASP C 40 -7.858 -13.150 6.230 1.00 1.30 O ATOM 0 H ASP C 40 -6.493 -9.586 5.912 1.00 0.25 H new ATOM 0 HA ASP C 40 -7.282 -10.765 3.369 1.00 0.25 H new ATOM 0 HB2 ASP C 40 -9.007 -10.966 5.881 1.00 0.27 H new ATOM 0 HB3 ASP C 40 -9.546 -11.357 4.260 1.00 0.27 H new ATOM 2368 N GLY C 41 -9.355 -9.004 3.401 1.00 0.24 N ATOM 2369 CA GLY C 41 -10.048 -7.766 3.107 1.00 0.23 C ATOM 2370 C GLY C 41 -10.187 -7.531 1.618 1.00 0.21 C ATOM 2371 O GLY C 41 -10.359 -8.476 0.848 1.00 0.22 O ATOM 0 H GLY C 41 -9.798 -9.840 3.018 1.00 0.24 H new ATOM 0 HA2 GLY C 41 -11.037 -7.787 3.564 1.00 0.23 H new ATOM 0 HA3 GLY C 41 -9.507 -6.933 3.556 1.00 0.23 H new ATOM 2375 N GLU C 42 -10.119 -6.268 1.209 1.00 0.20 N ATOM 2376 CA GLU C 42 -10.246 -5.922 -0.201 1.00 0.19 C ATOM 2377 C GLU C 42 -9.428 -4.680 -0.540 1.00 0.18 C ATOM 2378 O GLU C 42 -9.166 -3.841 0.321 1.00 0.18 O ATOM 2379 CB GLU C 42 -11.714 -5.686 -0.557 1.00 0.20 C ATOM 2380 CG GLU C 42 -12.581 -6.927 -0.433 1.00 0.25 C ATOM 2381 CD GLU C 42 -13.909 -6.775 -1.147 1.00 0.81 C ATOM 2382 OE1 GLU C 42 -14.807 -6.107 -0.594 1.00 1.54 O ATOM 2383 OE2 GLU C 42 -14.049 -7.320 -2.262 1.00 1.57 O ATOM 0 H GLU C 42 -9.977 -5.472 1.830 1.00 0.20 H new ATOM 0 HA GLU C 42 -9.861 -6.757 -0.786 1.00 0.19 H new ATOM 0 HB2 GLU C 42 -12.115 -4.907 0.092 1.00 0.20 H new ATOM 0 HB3 GLU C 42 -11.775 -5.312 -1.579 1.00 0.20 H new ATOM 0 HG2 GLU C 42 -12.046 -7.783 -0.844 1.00 0.25 H new ATOM 0 HG3 GLU C 42 -12.760 -7.139 0.621 1.00 0.25 H new ATOM 2390 N TRP C 43 -9.042 -4.568 -1.807 1.00 0.18 N ATOM 2391 CA TRP C 43 -8.265 -3.427 -2.275 1.00 0.18 C ATOM 2392 C TRP C 43 -9.133 -2.184 -2.370 1.00 0.18 C ATOM 2393 O TRP C 43 -10.065 -2.121 -3.172 1.00 0.20 O ATOM 2394 CB TRP C 43 -7.634 -3.735 -3.634 1.00 0.19 C ATOM 2395 CG TRP C 43 -6.534 -4.750 -3.559 1.00 0.19 C ATOM 2396 CD1 TRP C 43 -6.653 -6.101 -3.721 1.00 0.21 C ATOM 2397 CD2 TRP C 43 -5.148 -4.497 -3.299 1.00 0.21 C ATOM 2398 NE1 TRP C 43 -5.426 -6.703 -3.578 1.00 0.24 N ATOM 2399 CE2 TRP C 43 -4.486 -5.739 -3.318 1.00 0.24 C ATOM 2400 CE3 TRP C 43 -4.403 -3.341 -3.051 1.00 0.26 C ATOM 2401 CZ2 TRP C 43 -3.115 -5.856 -3.099 1.00 0.29 C ATOM 2402 CZ3 TRP C 43 -3.043 -3.458 -2.835 1.00 0.32 C ATOM 2403 CH2 TRP C 43 -2.411 -4.708 -2.860 1.00 0.33 C ATOM 0 H TRP C 43 -9.256 -5.256 -2.529 1.00 0.18 H new ATOM 0 HA TRP C 43 -7.471 -3.237 -1.553 1.00 0.18 H new ATOM 0 HB2 TRP C 43 -8.407 -4.096 -4.312 1.00 0.19 H new ATOM 0 HB3 TRP C 43 -7.240 -2.813 -4.062 1.00 0.19 H new ATOM 0 HD1 TRP C 43 -7.576 -6.620 -3.931 1.00 0.21 H new ATOM 0 HE1 TRP C 43 -5.244 -7.704 -3.653 1.00 0.24 H new ATOM 0 HE3 TRP C 43 -4.882 -2.373 -3.029 1.00 0.26 H new ATOM 0 HZ2 TRP C 43 -2.626 -6.819 -3.117 1.00 0.29 H new ATOM 0 HZ3 TRP C 43 -2.458 -2.571 -2.644 1.00 0.32 H new ATOM 0 HH2 TRP C 43 -1.347 -4.766 -2.687 1.00 0.33 H new ATOM 2414 N THR C 44 -8.816 -1.193 -1.548 1.00 0.17 N ATOM 2415 CA THR C 44 -9.561 0.052 -1.540 1.00 0.18 C ATOM 2416 C THR C 44 -8.734 1.172 -2.151 1.00 0.18 C ATOM 2417 O THR C 44 -7.521 1.246 -1.956 1.00 0.18 O ATOM 2418 CB THR C 44 -9.975 0.423 -0.115 1.00 0.18 C ATOM 2419 OG1 THR C 44 -8.837 0.664 0.692 1.00 0.19 O ATOM 2420 CG2 THR C 44 -10.802 -0.646 0.567 1.00 0.19 C ATOM 0 H THR C 44 -8.047 -1.230 -0.879 1.00 0.17 H new ATOM 0 HA THR C 44 -10.461 -0.086 -2.140 1.00 0.18 H new ATOM 0 HB THR C 44 -10.584 1.321 -0.218 1.00 0.18 H new ATOM 0 HG1 THR C 44 -9.017 0.367 1.608 1.00 0.19 H new ATOM 0 HG21 THR C 44 -11.061 -0.318 1.574 1.00 0.19 H new ATOM 0 HG22 THR C 44 -11.714 -0.820 -0.004 1.00 0.19 H new ATOM 0 HG23 THR C 44 -10.227 -1.570 0.623 1.00 0.19 H new ATOM 2428 N TYR C 45 -9.405 2.041 -2.884 1.00 0.18 N ATOM 2429 CA TYR C 45 -8.747 3.170 -3.527 1.00 0.19 C ATOM 2430 C TYR C 45 -8.318 4.204 -2.492 1.00 0.20 C ATOM 2431 O TYR C 45 -9.035 4.465 -1.527 1.00 0.21 O ATOM 2432 CB TYR C 45 -9.674 3.807 -4.563 1.00 0.20 C ATOM 2433 CG TYR C 45 -9.709 3.057 -5.876 1.00 0.21 C ATOM 2434 CD1 TYR C 45 -8.710 3.233 -6.826 1.00 0.20 C ATOM 2435 CD2 TYR C 45 -10.737 2.167 -6.163 1.00 0.23 C ATOM 2436 CE1 TYR C 45 -8.735 2.545 -8.025 1.00 0.22 C ATOM 2437 CE2 TYR C 45 -10.768 1.474 -7.359 1.00 0.25 C ATOM 2438 CZ TYR C 45 -9.766 1.667 -8.286 1.00 0.24 C ATOM 2439 OH TYR C 45 -9.794 0.978 -9.478 1.00 0.27 O ATOM 0 H TYR C 45 -10.410 1.989 -3.051 1.00 0.18 H new ATOM 0 HA TYR C 45 -7.855 2.803 -4.035 1.00 0.19 H new ATOM 0 HB2 TYR C 45 -10.683 3.858 -4.155 1.00 0.20 H new ATOM 0 HB3 TYR C 45 -9.352 4.832 -4.747 1.00 0.20 H new ATOM 0 HD1 TYR C 45 -7.900 3.919 -6.624 1.00 0.20 H new ATOM 0 HD2 TYR C 45 -11.525 2.014 -5.440 1.00 0.23 H new ATOM 0 HE1 TYR C 45 -7.951 2.694 -8.753 1.00 0.22 H new ATOM 0 HE2 TYR C 45 -11.573 0.785 -7.566 1.00 0.25 H new ATOM 0 HH TYR C 45 -10.585 0.401 -9.504 1.00 0.27 H new ATOM 2449 N ASP C 46 -7.140 4.786 -2.696 1.00 0.19 N ATOM 2450 CA ASP C 46 -6.617 5.785 -1.775 1.00 0.21 C ATOM 2451 C ASP C 46 -7.408 7.089 -1.892 1.00 0.23 C ATOM 2452 O ASP C 46 -8.096 7.319 -2.886 1.00 0.22 O ATOM 2453 CB ASP C 46 -5.140 6.052 -2.065 1.00 0.22 C ATOM 2454 CG ASP C 46 -4.296 4.802 -1.941 1.00 0.23 C ATOM 2455 OD1 ASP C 46 -4.854 3.696 -2.086 1.00 1.12 O ATOM 2456 OD2 ASP C 46 -3.078 4.929 -1.698 1.00 1.14 O ATOM 0 H ASP C 46 -6.532 4.583 -3.489 1.00 0.19 H new ATOM 0 HA ASP C 46 -6.718 5.400 -0.760 1.00 0.21 H new ATOM 0 HB2 ASP C 46 -5.037 6.459 -3.071 1.00 0.22 H new ATOM 0 HB3 ASP C 46 -4.768 6.809 -1.375 1.00 0.22 H new ATOM 2461 N ASP C 47 -7.313 7.933 -0.869 1.00 0.26 N ATOM 2462 CA ASP C 47 -8.029 9.207 -0.858 1.00 0.29 C ATOM 2463 C ASP C 47 -7.503 10.146 -1.941 1.00 0.26 C ATOM 2464 O ASP C 47 -6.295 10.335 -2.079 1.00 0.26 O ATOM 2465 CB ASP C 47 -7.896 9.878 0.510 1.00 0.34 C ATOM 2466 CG ASP C 47 -8.877 9.329 1.526 1.00 1.43 C ATOM 2467 OD1 ASP C 47 -10.071 9.685 1.451 1.00 2.26 O ATOM 2468 OD2 ASP C 47 -8.450 8.544 2.400 1.00 2.15 O ATOM 0 H ASP C 47 -6.748 7.759 -0.037 1.00 0.26 H new ATOM 0 HA ASP C 47 -9.080 8.999 -1.061 1.00 0.29 H new ATOM 0 HB2 ASP C 47 -6.880 9.741 0.881 1.00 0.34 H new ATOM 0 HB3 ASP C 47 -8.054 10.951 0.401 1.00 0.34 H new ATOM 2473 N ALA C 48 -8.421 10.730 -2.710 1.00 0.25 N ATOM 2474 CA ALA C 48 -8.056 11.647 -3.786 1.00 0.24 C ATOM 2475 C ALA C 48 -7.171 12.780 -3.279 1.00 0.20 C ATOM 2476 O ALA C 48 -7.382 13.309 -2.187 1.00 0.21 O ATOM 2477 CB ALA C 48 -9.310 12.211 -4.439 1.00 0.25 C ATOM 0 H ALA C 48 -9.425 10.583 -2.606 1.00 0.25 H new ATOM 0 HA ALA C 48 -7.486 11.086 -4.526 1.00 0.24 H new ATOM 0 HB1 ALA C 48 -9.027 12.894 -5.240 1.00 0.25 H new ATOM 0 HB2 ALA C 48 -9.904 11.395 -4.850 1.00 0.25 H new ATOM 0 HB3 ALA C 48 -9.898 12.748 -3.695 1.00 0.25 H new ATOM 2483 N THR C 49 -6.179 13.146 -4.083 1.00 0.18 N ATOM 2484 CA THR C 49 -5.254 14.215 -3.726 1.00 0.18 C ATOM 2485 C THR C 49 -4.980 15.118 -4.924 1.00 0.18 C ATOM 2486 O THR C 49 -5.014 14.670 -6.070 1.00 0.20 O ATOM 2487 CB THR C 49 -3.942 13.620 -3.211 1.00 0.23 C ATOM 2488 OG1 THR C 49 -4.194 12.527 -2.348 1.00 0.25 O ATOM 2489 CG2 THR C 49 -3.085 14.611 -2.455 1.00 0.28 C ATOM 0 H THR C 49 -5.995 12.716 -4.989 1.00 0.18 H new ATOM 0 HA THR C 49 -5.711 14.816 -2.939 1.00 0.18 H new ATOM 0 HB THR C 49 -3.400 13.306 -4.103 1.00 0.23 H new ATOM 0 HG1 THR C 49 -3.343 12.159 -2.030 1.00 0.25 H new ATOM 0 HG21 THR C 49 -2.171 14.120 -2.120 1.00 0.28 H new ATOM 0 HG22 THR C 49 -2.830 15.445 -3.109 1.00 0.28 H new ATOM 0 HG23 THR C 49 -3.635 14.983 -1.591 1.00 0.28 H new ATOM 2497 N LYS C 50 -4.704 16.389 -4.654 1.00 0.19 N ATOM 2498 CA LYS C 50 -4.420 17.348 -5.714 1.00 0.22 C ATOM 2499 C LYS C 50 -3.002 17.893 -5.579 1.00 0.20 C ATOM 2500 O LYS C 50 -2.537 18.182 -4.477 1.00 0.41 O ATOM 2501 CB LYS C 50 -5.433 18.495 -5.685 1.00 0.32 C ATOM 2502 CG LYS C 50 -6.655 18.244 -6.555 1.00 0.72 C ATOM 2503 CD LYS C 50 -7.691 19.345 -6.394 1.00 0.63 C ATOM 2504 CE LYS C 50 -8.767 18.955 -5.393 1.00 0.71 C ATOM 2505 NZ LYS C 50 -10.024 19.728 -5.596 1.00 0.84 N ATOM 0 H LYS C 50 -4.671 16.778 -3.712 1.00 0.19 H new ATOM 0 HA LYS C 50 -4.504 16.833 -6.671 1.00 0.22 H new ATOM 0 HB2 LYS C 50 -5.756 18.659 -4.657 1.00 0.32 H new ATOM 0 HB3 LYS C 50 -4.943 19.411 -6.015 1.00 0.32 H new ATOM 0 HG2 LYS C 50 -6.352 18.179 -7.600 1.00 0.72 H new ATOM 0 HG3 LYS C 50 -7.099 17.284 -6.292 1.00 0.72 H new ATOM 0 HD2 LYS C 50 -7.201 20.262 -6.065 1.00 0.63 H new ATOM 0 HD3 LYS C 50 -8.150 19.558 -7.359 1.00 0.63 H new ATOM 0 HE2 LYS C 50 -8.978 17.889 -5.484 1.00 0.71 H new ATOM 0 HE3 LYS C 50 -8.398 19.122 -4.381 1.00 0.71 H new ATOM 0 HZ1 LYS C 50 -10.675 19.545 -4.806 1.00 0.84 H new ATOM 0 HZ2 LYS C 50 -9.804 20.744 -5.636 1.00 0.84 H new ATOM 0 HZ3 LYS C 50 -10.471 19.435 -6.488 1.00 0.84 H new ATOM 2519 N THR C 51 -2.319 18.017 -6.711 1.00 0.24 N ATOM 2520 CA THR C 51 -0.948 18.511 -6.733 1.00 0.21 C ATOM 2521 C THR C 51 -0.820 19.690 -7.704 1.00 0.19 C ATOM 2522 O THR C 51 -1.312 19.628 -8.831 1.00 0.18 O ATOM 2523 CB THR C 51 0.003 17.365 -7.114 1.00 0.23 C ATOM 2524 OG1 THR C 51 0.073 16.415 -6.066 1.00 0.26 O ATOM 2525 CG2 THR C 51 1.417 17.820 -7.405 1.00 0.25 C ATOM 0 H THR C 51 -2.695 17.781 -7.629 1.00 0.24 H new ATOM 0 HA THR C 51 -0.675 18.872 -5.741 1.00 0.21 H new ATOM 0 HB THR C 51 -0.415 16.935 -8.025 1.00 0.23 H new ATOM 0 HG1 THR C 51 0.680 15.690 -6.322 1.00 0.26 H new ATOM 0 HG21 THR C 51 2.030 16.958 -7.666 1.00 0.25 H new ATOM 0 HG22 THR C 51 1.409 18.525 -8.237 1.00 0.25 H new ATOM 0 HG23 THR C 51 1.832 18.306 -6.522 1.00 0.25 H new ATOM 2533 N PHE C 52 -0.159 20.764 -7.263 1.00 0.20 N ATOM 2534 CA PHE C 52 0.021 21.951 -8.101 1.00 0.20 C ATOM 2535 C PHE C 52 1.166 21.772 -9.089 1.00 0.19 C ATOM 2536 O PHE C 52 2.310 21.545 -8.695 1.00 0.21 O ATOM 2537 CB PHE C 52 0.280 23.196 -7.245 1.00 0.22 C ATOM 2538 CG PHE C 52 0.159 24.484 -8.008 1.00 0.22 C ATOM 2539 CD1 PHE C 52 -1.084 25.030 -8.284 1.00 0.26 C ATOM 2540 CD2 PHE C 52 1.293 25.150 -8.444 1.00 0.27 C ATOM 2541 CE1 PHE C 52 -1.193 26.218 -8.982 1.00 0.30 C ATOM 2542 CE2 PHE C 52 1.190 26.337 -9.143 1.00 0.31 C ATOM 2543 CZ PHE C 52 -0.054 26.872 -9.412 1.00 0.31 C ATOM 0 H PHE C 52 0.258 20.835 -6.335 1.00 0.20 H new ATOM 0 HA PHE C 52 -0.905 22.086 -8.660 1.00 0.20 H new ATOM 0 HB2 PHE C 52 -0.424 23.208 -6.413 1.00 0.22 H new ATOM 0 HB3 PHE C 52 1.280 23.130 -6.815 1.00 0.22 H new ATOM 0 HD1 PHE C 52 -1.977 24.522 -7.950 1.00 0.26 H new ATOM 0 HD2 PHE C 52 2.269 24.736 -8.235 1.00 0.27 H new ATOM 0 HE1 PHE C 52 -2.167 26.635 -9.191 1.00 0.30 H new ATOM 0 HE2 PHE C 52 2.081 26.846 -9.479 1.00 0.31 H new ATOM 0 HZ PHE C 52 -0.137 27.800 -9.958 1.00 0.31 H new ATOM 2553 N THR C 53 0.856 21.899 -10.372 1.00 0.19 N ATOM 2554 CA THR C 53 1.865 21.774 -11.414 1.00 0.19 C ATOM 2555 C THR C 53 2.318 23.154 -11.876 1.00 0.19 C ATOM 2556 O THR C 53 1.499 23.976 -12.292 1.00 0.20 O ATOM 2557 CB THR C 53 1.321 20.977 -12.600 1.00 0.19 C ATOM 2558 OG1 THR C 53 0.823 19.721 -12.175 1.00 0.20 O ATOM 2559 CG2 THR C 53 2.358 20.720 -13.672 1.00 0.20 C ATOM 0 H THR C 53 -0.085 22.088 -10.716 1.00 0.19 H new ATOM 0 HA THR C 53 2.720 21.239 -11.001 1.00 0.19 H new ATOM 0 HB THR C 53 0.528 21.593 -13.023 1.00 0.19 H new ATOM 0 HG1 THR C 53 0.926 19.067 -12.898 1.00 0.20 H new ATOM 0 HG21 THR C 53 1.908 20.150 -14.485 1.00 0.20 H new ATOM 0 HG22 THR C 53 2.727 21.671 -14.056 1.00 0.20 H new ATOM 0 HG23 THR C 53 3.187 20.154 -13.248 1.00 0.20 H new ATOM 2567 N VAL C 54 3.620 23.408 -11.801 1.00 0.20 N ATOM 2568 CA VAL C 54 4.163 24.695 -12.213 1.00 0.23 C ATOM 2569 C VAL C 54 4.082 24.858 -13.723 1.00 0.24 C ATOM 2570 O VAL C 54 4.025 23.877 -14.465 1.00 0.23 O ATOM 2571 CB VAL C 54 5.628 24.869 -11.778 1.00 0.25 C ATOM 2572 CG1 VAL C 54 6.094 26.295 -12.025 1.00 0.28 C ATOM 2573 CG2 VAL C 54 5.806 24.483 -10.316 1.00 0.25 C ATOM 0 H VAL C 54 4.315 22.743 -11.461 1.00 0.20 H new ATOM 0 HA VAL C 54 3.558 25.457 -11.722 1.00 0.23 H new ATOM 0 HB VAL C 54 6.246 24.202 -12.379 1.00 0.25 H new ATOM 0 HG11 VAL C 54 7.133 26.398 -11.711 1.00 0.28 H new ATOM 0 HG12 VAL C 54 6.012 26.526 -13.087 1.00 0.28 H new ATOM 0 HG13 VAL C 54 5.472 26.985 -11.454 1.00 0.28 H new ATOM 0 HG21 VAL C 54 6.850 24.614 -10.030 1.00 0.25 H new ATOM 0 HG22 VAL C 54 5.176 25.118 -9.693 1.00 0.25 H new ATOM 0 HG23 VAL C 54 5.520 23.440 -10.177 1.00 0.25 H new ATOM 2583 N THR C 55 4.074 26.105 -14.168 1.00 0.26 N ATOM 2584 CA THR C 55 3.994 26.407 -15.589 1.00 0.28 C ATOM 2585 C THR C 55 4.664 27.739 -15.906 1.00 0.30 C ATOM 2586 O THR C 55 5.744 27.779 -16.493 1.00 0.34 O ATOM 2587 CB THR C 55 2.533 26.436 -16.030 1.00 0.28 C ATOM 2588 OG1 THR C 55 1.883 25.228 -15.678 1.00 0.28 O ATOM 2589 CG2 THR C 55 2.360 26.632 -17.519 1.00 0.30 C ATOM 0 H THR C 55 4.122 26.926 -13.564 1.00 0.26 H new ATOM 0 HA THR C 55 4.522 25.626 -16.136 1.00 0.28 H new ATOM 0 HB THR C 55 2.092 27.290 -15.515 1.00 0.28 H new ATOM 0 HG1 THR C 55 1.076 25.120 -16.223 1.00 0.28 H new ATOM 0 HG21 THR C 55 1.298 26.643 -17.764 1.00 0.30 H new ATOM 0 HG22 THR C 55 2.810 27.579 -17.816 1.00 0.30 H new ATOM 0 HG23 THR C 55 2.847 25.816 -18.052 1.00 0.30 H new ATOM 2597 N GLU C 56 4.011 28.827 -15.516 1.00 0.32 N ATOM 2598 CA GLU C 56 4.536 30.169 -15.756 1.00 0.35 C ATOM 2599 C GLU C 56 4.585 30.475 -17.249 1.00 1.22 C ATOM 2600 O GLU C 56 3.655 31.146 -17.744 1.00 2.00 O ATOM 2601 CB GLU C 56 5.933 30.317 -15.148 1.00 1.41 C ATOM 2602 CG GLU C 56 6.043 29.768 -13.735 1.00 2.55 C ATOM 2603 CD GLU C 56 7.478 29.516 -13.315 1.00 3.71 C ATOM 2604 OE1 GLU C 56 8.263 30.486 -13.265 1.00 4.26 O ATOM 2605 OE2 GLU C 56 7.816 28.347 -13.032 1.00 4.37 O ATOM 2606 OXT GLU C 56 5.553 30.045 -17.910 1.00 1.97 O ATOM 0 H GLU C 56 3.114 28.808 -15.031 1.00 0.32 H new ATOM 0 HA GLU C 56 3.865 30.882 -15.277 1.00 0.35 H new ATOM 0 HB2 GLU C 56 6.654 29.804 -15.785 1.00 1.41 H new ATOM 0 HB3 GLU C 56 6.207 31.372 -15.141 1.00 1.41 H new ATOM 0 HG2 GLU C 56 5.583 30.471 -13.040 1.00 2.55 H new ATOM 0 HG3 GLU C 56 5.480 28.837 -13.666 1.00 2.55 H new TER 2613 GLU C 56 ATOM 2614 N MET D 1 0.418 2.219 -12.121 1.00 0.34 N ATOM 2615 CA MET D 1 -0.417 2.296 -10.897 1.00 0.25 C ATOM 2616 C MET D 1 0.432 2.199 -9.642 1.00 0.23 C ATOM 2617 O MET D 1 1.299 1.334 -9.531 1.00 0.23 O ATOM 2618 CB MET D 1 -1.438 1.158 -10.926 1.00 0.32 C ATOM 2619 CG MET D 1 -2.705 1.487 -11.699 1.00 0.87 C ATOM 2620 SD MET D 1 -4.106 1.844 -10.621 1.00 1.00 S ATOM 2621 CE MET D 1 -3.352 2.949 -9.430 1.00 0.65 C ATOM 0 H1 MET D 1 -0.103 1.713 -12.865 1.00 0.34 H new ATOM 0 H2 MET D 1 0.644 3.180 -12.448 1.00 0.34 H new ATOM 0 H3 MET D 1 1.300 1.710 -11.908 1.00 0.34 H new ATOM 0 HA MET D 1 -0.926 3.260 -10.878 1.00 0.25 H new ATOM 0 HB2 MET D 1 -0.973 0.277 -11.368 1.00 0.32 H new ATOM 0 HB3 MET D 1 -1.706 0.897 -9.902 1.00 0.32 H new ATOM 0 HG2 MET D 1 -2.520 2.346 -12.343 1.00 0.87 H new ATOM 0 HG3 MET D 1 -2.957 0.649 -12.349 1.00 0.87 H new ATOM 0 HE1 MET D 1 -4.121 3.354 -8.772 1.00 0.65 H new ATOM 0 HE2 MET D 1 -2.619 2.401 -8.838 1.00 0.65 H new ATOM 0 HE3 MET D 1 -2.857 3.766 -9.955 1.00 0.65 H new ATOM 2633 N GLN D 2 0.167 3.087 -8.695 1.00 0.22 N ATOM 2634 CA GLN D 2 0.897 3.102 -7.439 1.00 0.20 C ATOM 2635 C GLN D 2 0.184 2.248 -6.403 1.00 0.20 C ATOM 2636 O GLN D 2 -0.993 2.462 -6.114 1.00 0.21 O ATOM 2637 CB GLN D 2 1.036 4.533 -6.924 1.00 0.22 C ATOM 2638 CG GLN D 2 2.143 4.708 -5.898 1.00 0.86 C ATOM 2639 CD GLN D 2 2.794 6.074 -5.975 1.00 1.12 C ATOM 2640 OE1 GLN D 2 4.019 6.193 -5.959 1.00 1.77 O ATOM 2641 NE2 GLN D 2 1.974 7.115 -6.060 1.00 1.54 N ATOM 0 H GLN D 2 -0.550 3.808 -8.774 1.00 0.22 H new ATOM 0 HA GLN D 2 1.891 2.690 -7.613 1.00 0.20 H new ATOM 0 HB2 GLN D 2 1.226 5.196 -7.768 1.00 0.22 H new ATOM 0 HB3 GLN D 2 0.090 4.844 -6.481 1.00 0.22 H new ATOM 0 HG2 GLN D 2 1.734 4.559 -4.898 1.00 0.86 H new ATOM 0 HG3 GLN D 2 2.900 3.939 -6.050 1.00 0.86 H new ATOM 0 HE21 GLN D 2 0.964 6.970 -6.070 1.00 1.54 H new ATOM 0 HE22 GLN D 2 2.354 8.060 -6.115 1.00 1.54 H new ATOM 2650 N TYR D 3 0.898 1.282 -5.842 1.00 0.19 N ATOM 2651 CA TYR D 3 0.319 0.410 -4.836 1.00 0.20 C ATOM 2652 C TYR D 3 0.890 0.694 -3.455 1.00 0.22 C ATOM 2653 O TYR D 3 2.104 0.791 -3.267 1.00 0.21 O ATOM 2654 CB TYR D 3 0.511 -1.061 -5.209 1.00 0.22 C ATOM 2655 CG TYR D 3 -0.507 -1.563 -6.211 1.00 0.22 C ATOM 2656 CD1 TYR D 3 -1.775 -1.957 -5.798 1.00 0.24 C ATOM 2657 CD2 TYR D 3 -0.207 -1.639 -7.566 1.00 0.26 C ATOM 2658 CE1 TYR D 3 -2.713 -2.413 -6.704 1.00 0.25 C ATOM 2659 CE2 TYR D 3 -1.141 -2.093 -8.479 1.00 0.28 C ATOM 2660 CZ TYR D 3 -2.392 -2.478 -8.044 1.00 0.25 C ATOM 2661 OH TYR D 3 -3.324 -2.930 -8.952 1.00 0.27 O ATOM 0 H TYR D 3 1.873 1.085 -6.066 1.00 0.19 H new ATOM 0 HA TYR D 3 -0.751 0.617 -4.802 1.00 0.20 H new ATOM 0 HB2 TYR D 3 1.512 -1.197 -5.619 1.00 0.22 H new ATOM 0 HB3 TYR D 3 0.452 -1.668 -4.306 1.00 0.22 H new ATOM 0 HD1 TYR D 3 -2.031 -1.906 -4.750 1.00 0.24 H new ATOM 0 HD2 TYR D 3 0.771 -1.339 -7.911 1.00 0.26 H new ATOM 0 HE1 TYR D 3 -3.692 -2.717 -6.365 1.00 0.25 H new ATOM 0 HE2 TYR D 3 -0.892 -2.146 -9.529 1.00 0.28 H new ATOM 0 HH TYR D 3 -3.712 -3.771 -8.632 1.00 0.27 H new ATOM 2671 N LYS D 4 -0.019 0.836 -2.500 1.00 0.24 N ATOM 2672 CA LYS D 4 0.339 1.120 -1.119 1.00 0.26 C ATOM 2673 C LYS D 4 0.152 -0.120 -0.257 1.00 0.29 C ATOM 2674 O LYS D 4 -0.932 -0.703 -0.220 1.00 0.35 O ATOM 2675 CB LYS D 4 -0.525 2.261 -0.573 1.00 0.29 C ATOM 2676 CG LYS D 4 0.113 3.634 -0.707 1.00 0.72 C ATOM 2677 CD LYS D 4 -0.496 4.625 0.273 1.00 0.79 C ATOM 2678 CE LYS D 4 0.295 5.923 0.330 1.00 1.45 C ATOM 2679 NZ LYS D 4 -0.482 7.014 0.983 1.00 1.62 N ATOM 0 H LYS D 4 -1.023 0.758 -2.661 1.00 0.24 H new ATOM 0 HA LYS D 4 1.387 1.418 -1.089 1.00 0.26 H new ATOM 0 HB2 LYS D 4 -1.481 2.263 -1.097 1.00 0.29 H new ATOM 0 HB3 LYS D 4 -0.738 2.071 0.479 1.00 0.29 H new ATOM 0 HG2 LYS D 4 1.186 3.557 -0.530 1.00 0.72 H new ATOM 0 HG3 LYS D 4 -0.017 4.000 -1.725 1.00 0.72 H new ATOM 0 HD2 LYS D 4 -1.524 4.839 -0.018 1.00 0.79 H new ATOM 0 HD3 LYS D 4 -0.532 4.178 1.266 1.00 0.79 H new ATOM 0 HE2 LYS D 4 1.223 5.760 0.877 1.00 1.45 H new ATOM 0 HE3 LYS D 4 0.570 6.226 -0.680 1.00 1.45 H new ATOM 0 HZ1 LYS D 4 0.089 7.883 1.004 1.00 1.62 H new ATOM 0 HZ2 LYS D 4 -1.356 7.187 0.446 1.00 1.62 H new ATOM 0 HZ3 LYS D 4 -0.723 6.735 1.956 1.00 1.62 H new ATOM 2693 N VAL D 5 1.212 -0.520 0.437 1.00 0.26 N ATOM 2694 CA VAL D 5 1.153 -1.691 1.298 1.00 0.28 C ATOM 2695 C VAL D 5 1.959 -1.475 2.568 1.00 0.26 C ATOM 2696 O VAL D 5 3.154 -1.181 2.519 1.00 0.25 O ATOM 2697 CB VAL D 5 1.685 -2.952 0.593 1.00 0.30 C ATOM 2698 CG1 VAL D 5 1.407 -4.190 1.431 1.00 0.33 C ATOM 2699 CG2 VAL D 5 1.076 -3.091 -0.792 1.00 0.34 C ATOM 0 H VAL D 5 2.118 -0.052 0.419 1.00 0.26 H new ATOM 0 HA VAL D 5 0.101 -1.838 1.544 1.00 0.28 H new ATOM 0 HB VAL D 5 2.764 -2.851 0.480 1.00 0.30 H new ATOM 0 HG11 VAL D 5 1.790 -5.071 0.916 1.00 0.33 H new ATOM 0 HG12 VAL D 5 1.899 -4.092 2.399 1.00 0.33 H new ATOM 0 HG13 VAL D 5 0.332 -4.295 1.579 1.00 0.33 H new ATOM 0 HG21 VAL D 5 1.466 -3.989 -1.272 1.00 0.34 H new ATOM 0 HG22 VAL D 5 -0.008 -3.166 -0.707 1.00 0.34 H new ATOM 0 HG23 VAL D 5 1.333 -2.218 -1.392 1.00 0.34 H new ATOM 2709 N ILE D 6 1.298 -1.632 3.704 1.00 0.29 N ATOM 2710 CA ILE D 6 1.949 -1.466 4.989 1.00 0.30 C ATOM 2711 C ILE D 6 2.465 -2.800 5.504 1.00 0.30 C ATOM 2712 O ILE D 6 1.690 -3.722 5.763 1.00 0.36 O ATOM 2713 CB ILE D 6 0.999 -0.844 6.029 1.00 0.36 C ATOM 2714 CG1 ILE D 6 0.238 0.327 5.407 1.00 0.39 C ATOM 2715 CG2 ILE D 6 1.781 -0.381 7.250 1.00 0.38 C ATOM 2716 CD1 ILE D 6 -0.920 0.819 6.246 1.00 0.49 C ATOM 0 H ILE D 6 0.309 -1.875 3.760 1.00 0.29 H new ATOM 0 HA ILE D 6 2.788 -0.787 4.841 1.00 0.30 H new ATOM 0 HB ILE D 6 0.281 -1.600 6.347 1.00 0.36 H new ATOM 0 HG12 ILE D 6 0.931 1.152 5.242 1.00 0.39 H new ATOM 0 HG13 ILE D 6 -0.137 0.026 4.429 1.00 0.39 H new ATOM 0 HG21 ILE D 6 1.096 0.056 7.976 1.00 0.38 H new ATOM 0 HG22 ILE D 6 2.291 -1.233 7.700 1.00 0.38 H new ATOM 0 HG23 ILE D 6 2.516 0.365 6.950 1.00 0.38 H new ATOM 0 HD11 ILE D 6 -1.410 1.650 5.739 1.00 0.49 H new ATOM 0 HD12 ILE D 6 -1.635 0.009 6.389 1.00 0.49 H new ATOM 0 HD13 ILE D 6 -0.551 1.153 7.216 1.00 0.49 H new ATOM 2728 N LEU D 7 3.776 -2.891 5.661 1.00 0.30 N ATOM 2729 CA LEU D 7 4.414 -4.097 6.162 1.00 0.32 C ATOM 2730 C LEU D 7 5.228 -3.729 7.390 1.00 0.49 C ATOM 2731 O LEU D 7 6.215 -3.003 7.286 1.00 0.67 O ATOM 2732 CB LEU D 7 5.318 -4.705 5.083 1.00 0.38 C ATOM 2733 CG LEU D 7 4.721 -5.892 4.322 1.00 0.39 C ATOM 2734 CD1 LEU D 7 4.022 -5.418 3.056 1.00 0.94 C ATOM 2735 CD2 LEU D 7 5.802 -6.913 3.982 1.00 0.43 C ATOM 0 H LEU D 7 4.425 -2.134 5.446 1.00 0.30 H new ATOM 0 HA LEU D 7 3.660 -4.839 6.425 1.00 0.32 H new ATOM 0 HB2 LEU D 7 5.574 -3.926 4.365 1.00 0.38 H new ATOM 0 HB3 LEU D 7 6.249 -5.025 5.551 1.00 0.38 H new ATOM 0 HG LEU D 7 3.984 -6.373 4.965 1.00 0.39 H new ATOM 0 HD11 LEU D 7 3.604 -6.275 2.528 1.00 0.94 H new ATOM 0 HD12 LEU D 7 3.220 -4.728 3.320 1.00 0.94 H new ATOM 0 HD13 LEU D 7 4.740 -4.911 2.412 1.00 0.94 H new ATOM 0 HD21 LEU D 7 5.357 -7.748 3.442 1.00 0.43 H new ATOM 0 HD22 LEU D 7 6.564 -6.443 3.360 1.00 0.43 H new ATOM 0 HD23 LEU D 7 6.259 -7.278 4.901 1.00 0.43 H new ATOM 2747 N ASN D 8 4.806 -4.196 8.557 1.00 0.54 N ATOM 2748 CA ASN D 8 5.506 -3.860 9.786 1.00 0.76 C ATOM 2749 C ASN D 8 5.211 -4.856 10.896 1.00 0.84 C ATOM 2750 O ASN D 8 4.516 -4.506 11.843 1.00 1.43 O ATOM 2751 CB ASN D 8 5.066 -2.471 10.248 1.00 1.03 C ATOM 2752 CG ASN D 8 6.058 -1.810 11.183 1.00 1.71 C ATOM 2753 OD1 ASN D 8 7.269 -1.977 11.044 1.00 2.49 O ATOM 2754 ND2 ASN D 8 5.542 -1.051 12.144 1.00 2.27 N ATOM 0 H ASN D 8 3.993 -4.801 8.677 1.00 0.54 H new ATOM 0 HA ASN D 8 6.576 -3.885 9.578 1.00 0.76 H new ATOM 0 HB2 ASN D 8 4.920 -1.835 9.375 1.00 1.03 H new ATOM 0 HB3 ASN D 8 4.102 -2.551 10.750 1.00 1.03 H new ATOM 0 HD21 ASN D 8 6.157 -0.577 12.805 1.00 2.27 H new ATOM 0 HD22 ASN D 8 4.531 -0.942 12.220 1.00 2.27 H new ATOM 2761 N GLY D 9 5.732 -6.082 10.794 1.00 1.45 N ATOM 2762 CA GLY D 9 5.489 -7.084 11.836 1.00 1.72 C ATOM 2763 C GLY D 9 4.733 -6.507 13.022 1.00 2.28 C ATOM 2764 O GLY D 9 5.312 -6.257 14.080 1.00 2.94 O ATOM 0 H GLY D 9 6.313 -6.401 10.018 1.00 1.45 H new ATOM 0 HA2 GLY D 9 4.922 -7.914 11.415 1.00 1.72 H new ATOM 0 HA3 GLY D 9 6.442 -7.490 12.177 1.00 1.72 H new ATOM 2768 N LYS D 10 3.441 -6.250 12.818 1.00 2.60 N ATOM 2769 CA LYS D 10 2.595 -5.648 13.844 1.00 3.36 C ATOM 2770 C LYS D 10 2.817 -6.277 15.214 1.00 3.63 C ATOM 2771 O LYS D 10 2.445 -7.426 15.454 1.00 3.81 O ATOM 2772 CB LYS D 10 1.122 -5.750 13.443 1.00 3.95 C ATOM 2773 CG LYS D 10 0.702 -4.716 12.407 1.00 4.81 C ATOM 2774 CD LYS D 10 0.813 -3.298 12.950 1.00 5.72 C ATOM 2775 CE LYS D 10 0.021 -2.313 12.102 1.00 6.52 C ATOM 2776 NZ LYS D 10 0.485 -0.910 12.296 1.00 7.07 N ATOM 0 H LYS D 10 2.956 -6.452 11.944 1.00 2.60 H new ATOM 0 HA LYS D 10 2.875 -4.597 13.922 1.00 3.36 H new ATOM 0 HB2 LYS D 10 0.929 -6.748 13.048 1.00 3.95 H new ATOM 0 HB3 LYS D 10 0.503 -5.634 14.332 1.00 3.95 H new ATOM 0 HG2 LYS D 10 1.327 -4.816 11.519 1.00 4.81 H new ATOM 0 HG3 LYS D 10 -0.325 -4.908 12.097 1.00 4.81 H new ATOM 0 HD2 LYS D 10 0.449 -3.271 13.977 1.00 5.72 H new ATOM 0 HD3 LYS D 10 1.861 -2.998 12.975 1.00 5.72 H new ATOM 0 HE2 LYS D 10 0.114 -2.583 11.050 1.00 6.52 H new ATOM 0 HE3 LYS D 10 -1.036 -2.384 12.357 1.00 6.52 H new ATOM 0 HZ1 LYS D 10 -0.080 -0.272 11.701 1.00 7.07 H new ATOM 0 HZ2 LYS D 10 0.373 -0.642 13.295 1.00 7.07 H new ATOM 0 HZ3 LYS D 10 1.487 -0.836 12.028 1.00 7.07 H new ATOM 2790 N THR D 11 3.424 -5.505 16.109 1.00 4.19 N ATOM 2791 CA THR D 11 3.697 -5.968 17.461 1.00 4.84 C ATOM 2792 C THR D 11 2.398 -6.182 18.229 1.00 5.22 C ATOM 2793 O THR D 11 1.402 -5.501 17.988 1.00 5.47 O ATOM 2794 CB THR D 11 4.578 -4.961 18.203 1.00 5.39 C ATOM 2795 OG1 THR D 11 4.320 -3.642 17.755 1.00 5.94 O ATOM 2796 CG2 THR D 11 6.059 -5.221 18.032 1.00 5.71 C ATOM 0 H THR D 11 3.737 -4.553 15.920 1.00 4.19 H new ATOM 0 HA THR D 11 4.225 -6.919 17.393 1.00 4.84 H new ATOM 0 HB THR D 11 4.324 -5.077 19.257 1.00 5.39 H new ATOM 0 HG1 THR D 11 4.892 -3.013 18.243 1.00 5.94 H new ATOM 0 HG21 THR D 11 6.626 -4.471 18.583 1.00 5.71 H new ATOM 0 HG22 THR D 11 6.301 -6.213 18.414 1.00 5.71 H new ATOM 0 HG23 THR D 11 6.318 -5.167 16.975 1.00 5.71 H new ATOM 2804 N LEU D 12 2.420 -7.132 19.153 1.00 5.66 N ATOM 2805 CA LEU D 12 1.250 -7.442 19.963 1.00 6.32 C ATOM 2806 C LEU D 12 1.589 -8.510 20.998 1.00 6.22 C ATOM 2807 O LEU D 12 2.465 -9.345 20.775 1.00 6.19 O ATOM 2808 CB LEU D 12 0.093 -7.910 19.074 1.00 7.05 C ATOM 2809 CG LEU D 12 -1.080 -6.934 18.968 1.00 7.68 C ATOM 2810 CD1 LEU D 12 -2.165 -7.501 18.067 1.00 8.30 C ATOM 2811 CD2 LEU D 12 -1.641 -6.622 20.348 1.00 8.22 C ATOM 0 H LEU D 12 3.239 -7.704 19.361 1.00 5.66 H new ATOM 0 HA LEU D 12 0.941 -6.537 20.486 1.00 6.32 H new ATOM 0 HB2 LEU D 12 0.479 -8.100 18.072 1.00 7.05 H new ATOM 0 HB3 LEU D 12 -0.279 -8.860 19.458 1.00 7.05 H new ATOM 0 HG LEU D 12 -0.717 -6.006 18.527 1.00 7.68 H new ATOM 0 HD11 LEU D 12 -2.992 -6.793 18.003 1.00 8.30 H new ATOM 0 HD12 LEU D 12 -1.757 -7.674 17.071 1.00 8.30 H new ATOM 0 HD13 LEU D 12 -2.525 -8.443 18.480 1.00 8.30 H new ATOM 0 HD21 LEU D 12 -2.475 -5.926 20.253 1.00 8.22 H new ATOM 0 HD22 LEU D 12 -1.988 -7.543 20.816 1.00 8.22 H new ATOM 0 HD23 LEU D 12 -0.862 -6.173 20.964 1.00 8.22 H new ATOM 2823 N LYS D 13 0.893 -8.479 22.129 1.00 6.49 N ATOM 2824 CA LYS D 13 1.127 -9.445 23.191 1.00 6.66 C ATOM 2825 C LYS D 13 0.798 -10.852 22.714 1.00 6.62 C ATOM 2826 O LYS D 13 -0.240 -11.080 22.094 1.00 6.96 O ATOM 2827 CB LYS D 13 0.288 -9.100 24.422 1.00 7.19 C ATOM 2828 CG LYS D 13 1.003 -8.187 25.406 1.00 7.75 C ATOM 2829 CD LYS D 13 0.310 -6.838 25.526 1.00 8.62 C ATOM 2830 CE LYS D 13 -0.554 -6.765 26.775 1.00 9.18 C ATOM 2831 NZ LYS D 13 -1.454 -7.945 26.895 1.00 10.04 N ATOM 0 H LYS D 13 0.164 -7.796 22.332 1.00 6.49 H new ATOM 0 HA LYS D 13 2.182 -9.405 23.463 1.00 6.66 H new ATOM 0 HB2 LYS D 13 -0.636 -8.621 24.099 1.00 7.19 H new ATOM 0 HB3 LYS D 13 0.008 -10.022 24.931 1.00 7.19 H new ATOM 0 HG2 LYS D 13 1.041 -8.665 26.385 1.00 7.75 H new ATOM 0 HG3 LYS D 13 2.034 -8.039 25.083 1.00 7.75 H new ATOM 0 HD2 LYS D 13 1.057 -6.045 25.552 1.00 8.62 H new ATOM 0 HD3 LYS D 13 -0.307 -6.665 24.645 1.00 8.62 H new ATOM 0 HE2 LYS D 13 0.085 -6.704 27.656 1.00 9.18 H new ATOM 0 HE3 LYS D 13 -1.151 -5.853 26.751 1.00 9.18 H new ATOM 0 HZ1 LYS D 13 -2.250 -7.712 27.522 1.00 10.04 H new ATOM 0 HZ2 LYS D 13 -1.817 -8.202 25.955 1.00 10.04 H new ATOM 0 HZ3 LYS D 13 -0.924 -8.747 27.292 1.00 10.04 H new ATOM 2845 N GLY D 14 1.689 -11.793 23.002 1.00 6.50 N ATOM 2846 CA GLY D 14 1.470 -13.163 22.588 1.00 6.76 C ATOM 2847 C GLY D 14 2.766 -13.932 22.409 1.00 6.35 C ATOM 2848 O GLY D 14 2.799 -15.150 22.582 1.00 6.61 O ATOM 0 H GLY D 14 2.557 -11.631 23.513 1.00 6.50 H new ATOM 0 HA2 GLY D 14 0.851 -13.668 23.330 1.00 6.76 H new ATOM 0 HA3 GLY D 14 0.914 -13.171 21.650 1.00 6.76 H new ATOM 2852 N GLU D 15 3.833 -13.211 22.057 1.00 6.00 N ATOM 2853 CA GLU D 15 5.160 -13.804 21.842 1.00 5.85 C ATOM 2854 C GLU D 15 5.322 -14.325 20.431 1.00 5.29 C ATOM 2855 O GLU D 15 6.406 -14.280 19.849 1.00 5.12 O ATOM 2856 CB GLU D 15 5.445 -14.932 22.852 1.00 6.41 C ATOM 2857 CG GLU D 15 5.395 -16.333 22.245 1.00 6.95 C ATOM 2858 CD GLU D 15 5.723 -17.425 23.242 1.00 7.67 C ATOM 2859 OE1 GLU D 15 6.916 -17.584 23.577 1.00 8.05 O ATOM 2860 OE2 GLU D 15 4.789 -18.127 23.683 1.00 8.09 O ATOM 0 H GLU D 15 3.804 -12.202 21.913 1.00 6.00 H new ATOM 0 HA GLU D 15 5.885 -13.005 21.997 1.00 5.85 H new ATOM 0 HB2 GLU D 15 6.429 -14.772 23.292 1.00 6.41 H new ATOM 0 HB3 GLU D 15 4.719 -14.872 23.663 1.00 6.41 H new ATOM 0 HG2 GLU D 15 4.400 -16.510 21.836 1.00 6.95 H new ATOM 0 HG3 GLU D 15 6.096 -16.387 21.412 1.00 6.95 H new ATOM 2867 N THR D 16 4.221 -14.791 19.909 1.00 5.41 N ATOM 2868 CA THR D 16 4.122 -15.334 18.575 1.00 5.28 C ATOM 2869 C THR D 16 5.379 -16.145 18.208 1.00 4.91 C ATOM 2870 O THR D 16 6.262 -16.340 19.043 1.00 5.31 O ATOM 2871 CB THR D 16 3.889 -14.158 17.652 1.00 6.07 C ATOM 2872 OG1 THR D 16 2.878 -13.307 18.176 1.00 6.40 O ATOM 2873 CG2 THR D 16 3.481 -14.527 16.243 1.00 6.67 C ATOM 0 H THR D 16 3.336 -14.805 20.415 1.00 5.41 H new ATOM 0 HA THR D 16 3.297 -16.042 18.490 1.00 5.28 H new ATOM 0 HB THR D 16 4.858 -13.663 17.597 1.00 6.07 H new ATOM 0 HG1 THR D 16 2.740 -12.550 17.569 1.00 6.40 H new ATOM 0 HG21 THR D 16 3.337 -13.620 15.657 1.00 6.67 H new ATOM 0 HG22 THR D 16 4.262 -15.135 15.785 1.00 6.67 H new ATOM 0 HG23 THR D 16 2.550 -15.093 16.270 1.00 6.67 H new ATOM 2881 N THR D 17 5.458 -16.640 16.980 1.00 4.53 N ATOM 2882 CA THR D 17 6.614 -17.432 16.566 1.00 4.56 C ATOM 2883 C THR D 17 7.445 -16.687 15.530 1.00 4.16 C ATOM 2884 O THR D 17 8.525 -16.179 15.833 1.00 4.49 O ATOM 2885 CB THR D 17 6.167 -18.781 16.003 1.00 4.86 C ATOM 2886 OG1 THR D 17 4.907 -18.667 15.369 1.00 5.20 O ATOM 2887 CG2 THR D 17 6.055 -19.859 17.059 1.00 5.77 C ATOM 0 H THR D 17 4.747 -16.511 16.260 1.00 4.53 H new ATOM 0 HA THR D 17 7.233 -17.603 17.447 1.00 4.56 H new ATOM 0 HB THR D 17 6.941 -19.070 15.291 1.00 4.86 H new ATOM 0 HG1 THR D 17 4.639 -19.540 15.014 1.00 5.20 H new ATOM 0 HG21 THR D 17 5.734 -20.791 16.595 1.00 5.77 H new ATOM 0 HG22 THR D 17 7.025 -20.006 17.534 1.00 5.77 H new ATOM 0 HG23 THR D 17 5.325 -19.558 17.810 1.00 5.77 H new ATOM 2895 N THR D 18 6.934 -16.627 14.309 1.00 3.84 N ATOM 2896 CA THR D 18 7.625 -15.944 13.225 1.00 3.77 C ATOM 2897 C THR D 18 6.774 -14.809 12.678 1.00 3.25 C ATOM 2898 O THR D 18 5.592 -14.692 13.001 1.00 3.35 O ATOM 2899 CB THR D 18 7.950 -16.926 12.099 1.00 4.34 C ATOM 2900 OG1 THR D 18 6.780 -17.254 11.371 1.00 4.51 O ATOM 2901 CG2 THR D 18 8.562 -18.221 12.586 1.00 4.98 C ATOM 0 H THR D 18 6.042 -17.044 14.044 1.00 3.84 H new ATOM 0 HA THR D 18 8.553 -15.532 13.622 1.00 3.77 H new ATOM 0 HB THR D 18 8.680 -16.413 11.472 1.00 4.34 H new ATOM 0 HG1 THR D 18 7.006 -17.882 10.653 1.00 4.51 H new ATOM 0 HG21 THR D 18 8.767 -18.870 11.734 1.00 4.98 H new ATOM 0 HG22 THR D 18 9.493 -18.008 13.112 1.00 4.98 H new ATOM 0 HG23 THR D 18 7.868 -18.719 13.263 1.00 4.98 H new ATOM 2909 N GLU D 19 7.379 -13.982 11.839 1.00 3.14 N ATOM 2910 CA GLU D 19 6.675 -12.865 11.235 1.00 2.78 C ATOM 2911 C GLU D 19 6.320 -13.187 9.791 1.00 1.71 C ATOM 2912 O GLU D 19 6.530 -14.306 9.323 1.00 1.87 O ATOM 2913 CB GLU D 19 7.530 -11.599 11.291 1.00 3.56 C ATOM 2914 CG GLU D 19 8.027 -11.262 12.686 1.00 4.41 C ATOM 2915 CD GLU D 19 9.268 -10.391 12.669 1.00 5.22 C ATOM 2916 OE1 GLU D 19 9.400 -9.565 11.742 1.00 5.71 O ATOM 2917 OE2 GLU D 19 10.107 -10.535 13.583 1.00 5.67 O ATOM 0 H GLU D 19 8.357 -14.065 11.562 1.00 3.14 H new ATOM 0 HA GLU D 19 5.757 -12.692 11.797 1.00 2.78 H new ATOM 0 HB2 GLU D 19 8.387 -11.720 10.628 1.00 3.56 H new ATOM 0 HB3 GLU D 19 6.948 -10.760 10.909 1.00 3.56 H new ATOM 0 HG2 GLU D 19 7.237 -10.751 13.236 1.00 4.41 H new ATOM 0 HG3 GLU D 19 8.243 -12.185 13.223 1.00 4.41 H new ATOM 2924 N ALA D 20 5.788 -12.200 9.092 1.00 1.34 N ATOM 2925 CA ALA D 20 5.407 -12.365 7.699 1.00 1.10 C ATOM 2926 C ALA D 20 5.558 -11.047 6.956 1.00 1.00 C ATOM 2927 O ALA D 20 6.193 -10.974 5.904 1.00 1.69 O ATOM 2928 CB ALA D 20 3.974 -12.871 7.602 1.00 2.04 C ATOM 0 H ALA D 20 5.609 -11.269 9.469 1.00 1.34 H new ATOM 0 HA ALA D 20 6.065 -13.101 7.238 1.00 1.10 H new ATOM 0 HB1 ALA D 20 3.701 -12.990 6.554 1.00 2.04 H new ATOM 0 HB2 ALA D 20 3.892 -13.832 8.110 1.00 2.04 H new ATOM 0 HB3 ALA D 20 3.302 -12.153 8.073 1.00 2.04 H new ATOM 2934 N VAL D 21 4.959 -10.013 7.525 1.00 0.59 N ATOM 2935 CA VAL D 21 4.994 -8.674 6.953 1.00 0.42 C ATOM 2936 C VAL D 21 6.206 -7.882 7.447 1.00 0.36 C ATOM 2937 O VAL D 21 6.061 -6.857 8.113 1.00 0.38 O ATOM 2938 CB VAL D 21 3.713 -7.904 7.320 1.00 0.47 C ATOM 2939 CG1 VAL D 21 2.511 -8.486 6.595 1.00 1.13 C ATOM 2940 CG2 VAL D 21 3.495 -7.938 8.824 1.00 1.19 C ATOM 0 H VAL D 21 4.434 -10.077 8.397 1.00 0.59 H new ATOM 0 HA VAL D 21 5.067 -8.786 5.871 1.00 0.42 H new ATOM 0 HB VAL D 21 3.830 -6.867 7.006 1.00 0.47 H new ATOM 0 HG11 VAL D 21 1.616 -7.927 6.868 1.00 1.13 H new ATOM 0 HG12 VAL D 21 2.667 -8.417 5.518 1.00 1.13 H new ATOM 0 HG13 VAL D 21 2.387 -9.531 6.878 1.00 1.13 H new ATOM 0 HG21 VAL D 21 2.586 -7.390 9.072 1.00 1.19 H new ATOM 0 HG22 VAL D 21 3.397 -8.972 9.154 1.00 1.19 H new ATOM 0 HG23 VAL D 21 4.345 -7.476 9.325 1.00 1.19 H new ATOM 2950 N ASP D 22 7.401 -8.358 7.112 1.00 0.32 N ATOM 2951 CA ASP D 22 8.632 -7.687 7.518 1.00 0.29 C ATOM 2952 C ASP D 22 9.180 -6.839 6.387 1.00 0.26 C ATOM 2953 O ASP D 22 9.071 -7.192 5.214 1.00 0.26 O ATOM 2954 CB ASP D 22 9.682 -8.708 7.960 1.00 0.29 C ATOM 2955 CG ASP D 22 10.644 -8.142 8.987 1.00 0.76 C ATOM 2956 OD1 ASP D 22 10.733 -6.901 9.099 1.00 1.65 O ATOM 2957 OD2 ASP D 22 11.308 -8.941 9.680 1.00 1.31 O ATOM 0 H ASP D 22 7.544 -9.205 6.561 1.00 0.32 H new ATOM 0 HA ASP D 22 8.398 -7.036 8.361 1.00 0.29 H new ATOM 0 HB2 ASP D 22 9.182 -9.582 8.378 1.00 0.29 H new ATOM 0 HB3 ASP D 22 10.243 -9.048 7.089 1.00 0.29 H new ATOM 2962 N ALA D 23 9.777 -5.720 6.754 1.00 0.25 N ATOM 2963 CA ALA D 23 10.359 -4.808 5.788 1.00 0.26 C ATOM 2964 C ALA D 23 11.303 -5.547 4.842 1.00 0.25 C ATOM 2965 O ALA D 23 11.235 -5.382 3.624 1.00 0.25 O ATOM 2966 CB ALA D 23 11.084 -3.703 6.528 1.00 0.30 C ATOM 0 H ALA D 23 9.872 -5.419 7.724 1.00 0.25 H new ATOM 0 HA ALA D 23 9.567 -4.372 5.179 1.00 0.26 H new ATOM 0 HB1 ALA D 23 11.525 -3.012 5.809 1.00 0.30 H new ATOM 0 HB2 ALA D 23 10.378 -3.166 7.162 1.00 0.30 H new ATOM 0 HB3 ALA D 23 11.871 -4.135 7.146 1.00 0.30 H new ATOM 2972 N ALA D 24 12.173 -6.375 5.414 1.00 0.26 N ATOM 2973 CA ALA D 24 13.121 -7.158 4.631 1.00 0.29 C ATOM 2974 C ALA D 24 12.391 -8.186 3.771 1.00 0.27 C ATOM 2975 O ALA D 24 12.839 -8.528 2.677 1.00 0.29 O ATOM 2976 CB ALA D 24 14.124 -7.846 5.547 1.00 0.33 C ATOM 0 H ALA D 24 12.240 -6.520 6.421 1.00 0.26 H new ATOM 0 HA ALA D 24 13.662 -6.481 3.969 1.00 0.29 H new ATOM 0 HB1 ALA D 24 14.825 -8.427 4.948 1.00 0.33 H new ATOM 0 HB2 ALA D 24 14.670 -7.095 6.118 1.00 0.33 H new ATOM 0 HB3 ALA D 24 13.596 -8.509 6.232 1.00 0.33 H new ATOM 2982 N THR D 25 11.260 -8.673 4.277 1.00 0.25 N ATOM 2983 CA THR D 25 10.457 -9.662 3.562 1.00 0.26 C ATOM 2984 C THR D 25 9.912 -9.083 2.265 1.00 0.23 C ATOM 2985 O THR D 25 9.885 -9.754 1.234 1.00 0.23 O ATOM 2986 CB THR D 25 9.286 -10.130 4.436 1.00 0.30 C ATOM 2987 OG1 THR D 25 9.759 -10.750 5.620 1.00 0.38 O ATOM 2988 CG2 THR D 25 8.367 -11.110 3.740 1.00 0.29 C ATOM 0 H THR D 25 10.878 -8.398 5.182 1.00 0.25 H new ATOM 0 HA THR D 25 11.101 -10.510 3.329 1.00 0.26 H new ATOM 0 HB THR D 25 8.719 -9.227 4.661 1.00 0.30 H new ATOM 0 HG1 THR D 25 8.997 -11.040 6.164 1.00 0.38 H new ATOM 0 HG21 THR D 25 7.562 -11.398 4.417 1.00 0.29 H new ATOM 0 HG22 THR D 25 7.944 -10.643 2.851 1.00 0.29 H new ATOM 0 HG23 THR D 25 8.932 -11.996 3.451 1.00 0.29 H new ATOM 2996 N PHE D 26 9.473 -7.834 2.330 1.00 0.21 N ATOM 2997 CA PHE D 26 8.921 -7.167 1.163 1.00 0.22 C ATOM 2998 C PHE D 26 9.997 -6.966 0.100 1.00 0.23 C ATOM 2999 O PHE D 26 9.809 -7.320 -1.062 1.00 0.23 O ATOM 3000 CB PHE D 26 8.288 -5.828 1.546 1.00 0.26 C ATOM 3001 CG PHE D 26 7.287 -5.344 0.534 1.00 0.26 C ATOM 3002 CD1 PHE D 26 6.170 -6.109 0.236 1.00 0.32 C ATOM 3003 CD2 PHE D 26 7.459 -4.134 -0.118 1.00 0.27 C ATOM 3004 CE1 PHE D 26 5.244 -5.679 -0.694 1.00 0.37 C ATOM 3005 CE2 PHE D 26 6.534 -3.698 -1.051 1.00 0.30 C ATOM 3006 CZ PHE D 26 5.426 -4.472 -1.339 1.00 0.34 C ATOM 0 H PHE D 26 9.489 -7.265 3.176 1.00 0.21 H new ATOM 0 HA PHE D 26 8.140 -7.804 0.748 1.00 0.22 H new ATOM 0 HB2 PHE D 26 7.799 -5.927 2.515 1.00 0.26 H new ATOM 0 HB3 PHE D 26 9.073 -5.080 1.660 1.00 0.26 H new ATOM 0 HD1 PHE D 26 6.022 -7.054 0.738 1.00 0.32 H new ATOM 0 HD2 PHE D 26 8.323 -3.525 0.104 1.00 0.27 H new ATOM 0 HE1 PHE D 26 4.379 -6.286 -0.916 1.00 0.37 H new ATOM 0 HE2 PHE D 26 6.678 -2.753 -1.554 1.00 0.30 H new ATOM 0 HZ PHE D 26 4.704 -4.133 -2.067 1.00 0.34 H new ATOM 3016 N GLU D 27 11.131 -6.402 0.506 1.00 0.27 N ATOM 3017 CA GLU D 27 12.234 -6.162 -0.421 1.00 0.31 C ATOM 3018 C GLU D 27 12.643 -7.452 -1.129 1.00 0.30 C ATOM 3019 O GLU D 27 12.795 -7.479 -2.351 1.00 0.30 O ATOM 3020 CB GLU D 27 13.436 -5.570 0.318 1.00 0.37 C ATOM 3021 CG GLU D 27 13.146 -4.237 0.989 1.00 1.06 C ATOM 3022 CD GLU D 27 14.338 -3.702 1.760 1.00 1.45 C ATOM 3023 OE1 GLU D 27 15.484 -4.001 1.363 1.00 1.83 O ATOM 3024 OE2 GLU D 27 14.125 -2.984 2.760 1.00 2.05 O ATOM 0 H GLU D 27 11.310 -6.104 1.465 1.00 0.27 H new ATOM 0 HA GLU D 27 11.892 -5.449 -1.171 1.00 0.31 H new ATOM 0 HB2 GLU D 27 13.773 -6.281 1.073 1.00 0.37 H new ATOM 0 HB3 GLU D 27 14.257 -5.441 -0.387 1.00 0.37 H new ATOM 0 HG2 GLU D 27 12.851 -3.510 0.232 1.00 1.06 H new ATOM 0 HG3 GLU D 27 12.301 -4.352 1.667 1.00 1.06 H new ATOM 3031 N LYS D 28 12.847 -8.510 -0.351 1.00 0.29 N ATOM 3032 CA LYS D 28 13.268 -9.797 -0.895 1.00 0.29 C ATOM 3033 C LYS D 28 12.194 -10.434 -1.779 1.00 0.27 C ATOM 3034 O LYS D 28 12.469 -10.798 -2.922 1.00 0.27 O ATOM 3035 CB LYS D 28 13.635 -10.751 0.244 1.00 0.30 C ATOM 3036 CG LYS D 28 14.226 -12.068 -0.231 1.00 0.33 C ATOM 3037 CD LYS D 28 14.387 -13.054 0.916 1.00 0.47 C ATOM 3038 CE LYS D 28 15.607 -12.729 1.765 1.00 1.17 C ATOM 3039 NZ LYS D 28 16.285 -13.959 2.262 1.00 1.79 N ATOM 0 H LYS D 28 12.727 -8.501 0.662 1.00 0.29 H new ATOM 0 HA LYS D 28 14.141 -9.614 -1.522 1.00 0.29 H new ATOM 0 HB2 LYS D 28 14.350 -10.258 0.903 1.00 0.30 H new ATOM 0 HB3 LYS D 28 12.743 -10.955 0.837 1.00 0.30 H new ATOM 0 HG2 LYS D 28 13.583 -12.501 -0.997 1.00 0.33 H new ATOM 0 HG3 LYS D 28 15.196 -11.886 -0.695 1.00 0.33 H new ATOM 0 HD2 LYS D 28 13.493 -13.037 1.540 1.00 0.47 H new ATOM 0 HD3 LYS D 28 14.478 -14.065 0.518 1.00 0.47 H new ATOM 0 HE2 LYS D 28 16.311 -12.139 1.178 1.00 1.17 H new ATOM 0 HE3 LYS D 28 15.305 -12.114 2.613 1.00 1.17 H new ATOM 0 HZ1 LYS D 28 17.111 -13.693 2.836 1.00 1.79 H new ATOM 0 HZ2 LYS D 28 15.622 -14.510 2.844 1.00 1.79 H new ATOM 0 HZ3 LYS D 28 16.596 -14.534 1.454 1.00 1.79 H new ATOM 3053 N VAL D 29 10.973 -10.571 -1.261 1.00 0.25 N ATOM 3054 CA VAL D 29 9.883 -11.169 -2.034 1.00 0.23 C ATOM 3055 C VAL D 29 9.522 -10.336 -3.251 1.00 0.23 C ATOM 3056 O VAL D 29 9.332 -10.865 -4.343 1.00 0.23 O ATOM 3057 CB VAL D 29 8.602 -11.346 -1.192 1.00 0.23 C ATOM 3058 CG1 VAL D 29 7.487 -11.973 -2.029 1.00 0.24 C ATOM 3059 CG2 VAL D 29 8.882 -12.179 0.048 1.00 0.24 C ATOM 0 H VAL D 29 10.715 -10.279 -0.318 1.00 0.25 H new ATOM 0 HA VAL D 29 10.257 -12.143 -2.349 1.00 0.23 H new ATOM 0 HB VAL D 29 8.269 -10.360 -0.868 1.00 0.23 H new ATOM 0 HG11 VAL D 29 6.593 -12.089 -1.416 1.00 0.24 H new ATOM 0 HG12 VAL D 29 7.263 -11.328 -2.879 1.00 0.24 H new ATOM 0 HG13 VAL D 29 7.809 -12.950 -2.390 1.00 0.24 H new ATOM 0 HG21 VAL D 29 7.965 -12.291 0.626 1.00 0.24 H new ATOM 0 HG22 VAL D 29 9.246 -13.163 -0.249 1.00 0.24 H new ATOM 0 HG23 VAL D 29 9.637 -11.682 0.657 1.00 0.24 H new ATOM 3069 N VAL D 30 9.409 -9.034 -3.050 1.00 0.23 N ATOM 3070 CA VAL D 30 9.040 -8.138 -4.130 1.00 0.24 C ATOM 3071 C VAL D 30 10.136 -8.049 -5.174 1.00 0.24 C ATOM 3072 O VAL D 30 9.859 -8.048 -6.372 1.00 0.25 O ATOM 3073 CB VAL D 30 8.695 -6.729 -3.608 1.00 0.25 C ATOM 3074 CG1 VAL D 30 8.215 -5.835 -4.741 1.00 0.26 C ATOM 3075 CG2 VAL D 30 7.646 -6.811 -2.508 1.00 0.26 C ATOM 0 H VAL D 30 9.567 -8.576 -2.152 1.00 0.23 H new ATOM 0 HA VAL D 30 8.149 -8.558 -4.596 1.00 0.24 H new ATOM 0 HB VAL D 30 9.600 -6.289 -3.190 1.00 0.25 H new ATOM 0 HG11 VAL D 30 7.978 -4.846 -4.349 1.00 0.26 H new ATOM 0 HG12 VAL D 30 8.999 -5.748 -5.493 1.00 0.26 H new ATOM 0 HG13 VAL D 30 7.324 -6.269 -5.194 1.00 0.26 H new ATOM 0 HG21 VAL D 30 7.414 -5.808 -2.151 1.00 0.26 H new ATOM 0 HG22 VAL D 30 6.741 -7.274 -2.902 1.00 0.26 H new ATOM 0 HG23 VAL D 30 8.030 -7.410 -1.683 1.00 0.26 H new ATOM 3085 N LYS D 31 11.381 -7.987 -4.730 1.00 0.24 N ATOM 3086 CA LYS D 31 12.496 -7.913 -5.654 1.00 0.25 C ATOM 3087 C LYS D 31 12.685 -9.249 -6.373 1.00 0.25 C ATOM 3088 O LYS D 31 12.847 -9.288 -7.590 1.00 0.26 O ATOM 3089 CB LYS D 31 13.772 -7.520 -4.908 1.00 0.26 C ATOM 3090 CG LYS D 31 14.995 -7.419 -5.801 1.00 0.33 C ATOM 3091 CD LYS D 31 16.273 -7.387 -4.981 1.00 0.65 C ATOM 3092 CE LYS D 31 17.491 -7.155 -5.858 1.00 0.88 C ATOM 3093 NZ LYS D 31 18.760 -7.250 -5.085 1.00 1.39 N ATOM 0 H LYS D 31 11.642 -7.987 -3.744 1.00 0.24 H new ATOM 0 HA LYS D 31 12.280 -7.150 -6.402 1.00 0.25 H new ATOM 0 HB2 LYS D 31 13.613 -6.561 -4.415 1.00 0.26 H new ATOM 0 HB3 LYS D 31 13.965 -8.253 -4.125 1.00 0.26 H new ATOM 0 HG2 LYS D 31 15.020 -8.267 -6.485 1.00 0.33 H new ATOM 0 HG3 LYS D 31 14.929 -6.519 -6.412 1.00 0.33 H new ATOM 0 HD2 LYS D 31 16.207 -6.597 -4.232 1.00 0.65 H new ATOM 0 HD3 LYS D 31 16.385 -8.328 -4.443 1.00 0.65 H new ATOM 0 HE2 LYS D 31 17.502 -7.888 -6.665 1.00 0.88 H new ATOM 0 HE3 LYS D 31 17.422 -6.171 -6.322 1.00 0.88 H new ATOM 0 HZ1 LYS D 31 19.567 -7.085 -5.720 1.00 1.39 H new ATOM 0 HZ2 LYS D 31 18.762 -6.534 -4.331 1.00 1.39 H new ATOM 0 HZ3 LYS D 31 18.839 -8.197 -4.663 1.00 1.39 H new ATOM 3107 N GLN D 32 12.647 -10.343 -5.616 1.00 0.25 N ATOM 3108 CA GLN D 32 12.803 -11.675 -6.193 1.00 0.26 C ATOM 3109 C GLN D 32 11.654 -12.008 -7.140 1.00 0.25 C ATOM 3110 O GLN D 32 11.869 -12.547 -8.226 1.00 0.24 O ATOM 3111 CB GLN D 32 12.888 -12.732 -5.092 1.00 0.27 C ATOM 3112 CG GLN D 32 13.185 -14.128 -5.617 1.00 0.30 C ATOM 3113 CD GLN D 32 14.661 -14.473 -5.551 1.00 0.99 C ATOM 3114 OE1 GLN D 32 15.416 -13.873 -4.786 1.00 1.82 O ATOM 3115 NE2 GLN D 32 15.082 -15.443 -6.357 1.00 1.61 N ATOM 0 H GLN D 32 12.510 -10.333 -4.605 1.00 0.25 H new ATOM 0 HA GLN D 32 13.731 -11.678 -6.764 1.00 0.26 H new ATOM 0 HB2 GLN D 32 13.665 -12.446 -4.383 1.00 0.27 H new ATOM 0 HB3 GLN D 32 11.946 -12.751 -4.543 1.00 0.27 H new ATOM 0 HG2 GLN D 32 12.619 -14.858 -5.039 1.00 0.30 H new ATOM 0 HG3 GLN D 32 12.843 -14.205 -6.649 1.00 0.30 H new ATOM 0 HE21 GLN D 32 14.422 -15.914 -6.976 1.00 1.61 H new ATOM 0 HE22 GLN D 32 16.065 -15.716 -6.357 1.00 1.61 H new ATOM 3124 N PHE D 33 10.434 -11.673 -6.729 1.00 0.25 N ATOM 3125 CA PHE D 33 9.251 -11.923 -7.541 1.00 0.24 C ATOM 3126 C PHE D 33 9.264 -11.144 -8.854 1.00 0.23 C ATOM 3127 O PHE D 33 8.978 -11.696 -9.917 1.00 0.23 O ATOM 3128 CB PHE D 33 8.006 -11.576 -6.714 1.00 0.26 C ATOM 3129 CG PHE D 33 6.783 -11.240 -7.517 1.00 0.26 C ATOM 3130 CD1 PHE D 33 6.238 -12.129 -8.428 1.00 0.27 C ATOM 3131 CD2 PHE D 33 6.175 -10.011 -7.338 1.00 0.27 C ATOM 3132 CE1 PHE D 33 5.106 -11.788 -9.153 1.00 0.29 C ATOM 3133 CE2 PHE D 33 5.047 -9.665 -8.052 1.00 0.29 C ATOM 3134 CZ PHE D 33 4.511 -10.550 -8.963 1.00 0.30 C ATOM 0 H PHE D 33 10.240 -11.225 -5.833 1.00 0.25 H new ATOM 0 HA PHE D 33 9.240 -12.978 -7.816 1.00 0.24 H new ATOM 0 HB2 PHE D 33 7.774 -12.419 -6.063 1.00 0.26 H new ATOM 0 HB3 PHE D 33 8.242 -10.730 -6.068 1.00 0.26 H new ATOM 0 HD1 PHE D 33 6.698 -13.095 -8.575 1.00 0.27 H new ATOM 0 HD2 PHE D 33 6.590 -9.311 -6.628 1.00 0.27 H new ATOM 0 HE1 PHE D 33 4.689 -12.485 -9.864 1.00 0.29 H new ATOM 0 HE2 PHE D 33 4.584 -8.702 -7.898 1.00 0.29 H new ATOM 0 HZ PHE D 33 3.630 -10.280 -9.527 1.00 0.30 H new ATOM 3144 N PHE D 34 9.577 -9.861 -8.763 1.00 0.25 N ATOM 3145 CA PHE D 34 9.605 -8.990 -9.933 1.00 0.25 C ATOM 3146 C PHE D 34 10.869 -9.172 -10.790 1.00 0.25 C ATOM 3147 O PHE D 34 10.822 -8.997 -12.006 1.00 0.25 O ATOM 3148 CB PHE D 34 9.398 -7.533 -9.502 1.00 0.29 C ATOM 3149 CG PHE D 34 7.940 -7.206 -9.255 1.00 0.29 C ATOM 3150 CD1 PHE D 34 7.027 -7.231 -10.299 1.00 0.52 C ATOM 3151 CD2 PHE D 34 7.473 -6.905 -7.980 1.00 0.44 C ATOM 3152 CE1 PHE D 34 5.689 -6.961 -10.087 1.00 0.57 C ATOM 3153 CE2 PHE D 34 6.126 -6.640 -7.763 1.00 0.42 C ATOM 3154 CZ PHE D 34 5.235 -6.669 -8.823 1.00 0.33 C ATOM 0 H PHE D 34 9.817 -9.396 -7.888 1.00 0.25 H new ATOM 0 HA PHE D 34 8.780 -9.280 -10.583 1.00 0.25 H new ATOM 0 HB2 PHE D 34 9.970 -7.341 -8.594 1.00 0.29 H new ATOM 0 HB3 PHE D 34 9.791 -6.870 -10.272 1.00 0.29 H new ATOM 0 HD1 PHE D 34 7.369 -7.466 -11.296 1.00 0.52 H new ATOM 0 HD2 PHE D 34 8.164 -6.877 -7.150 1.00 0.44 H new ATOM 0 HE1 PHE D 34 4.998 -6.979 -10.917 1.00 0.57 H new ATOM 0 HE2 PHE D 34 5.774 -6.411 -6.768 1.00 0.42 H new ATOM 0 HZ PHE D 34 4.188 -6.463 -8.657 1.00 0.33 H new ATOM 3164 N ASN D 35 11.993 -9.533 -10.172 1.00 0.26 N ATOM 3165 CA ASN D 35 13.238 -9.742 -10.925 1.00 0.28 C ATOM 3166 C ASN D 35 13.024 -10.745 -12.060 1.00 0.28 C ATOM 3167 O ASN D 35 13.641 -10.649 -13.121 1.00 0.28 O ATOM 3168 CB ASN D 35 14.352 -10.234 -9.994 1.00 0.29 C ATOM 3169 CG ASN D 35 15.023 -9.114 -9.210 1.00 0.30 C ATOM 3170 OD1 ASN D 35 16.139 -9.279 -8.715 1.00 0.32 O ATOM 3171 ND2 ASN D 35 14.355 -7.971 -9.086 1.00 0.30 N ATOM 0 H ASN D 35 12.072 -9.686 -9.167 1.00 0.26 H new ATOM 0 HA ASN D 35 13.536 -8.787 -11.357 1.00 0.28 H new ATOM 0 HB2 ASN D 35 13.937 -10.959 -9.294 1.00 0.29 H new ATOM 0 HB3 ASN D 35 15.105 -10.756 -10.585 1.00 0.29 H new ATOM 0 HD21 ASN D 35 14.765 -7.194 -8.567 1.00 0.30 H new ATOM 0 HD22 ASN D 35 13.433 -7.871 -9.510 1.00 0.30 H new ATOM 3178 N ASP D 36 12.134 -11.696 -11.820 1.00 0.29 N ATOM 3179 CA ASP D 36 11.795 -12.733 -12.793 1.00 0.29 C ATOM 3180 C ASP D 36 11.269 -12.140 -14.110 1.00 0.29 C ATOM 3181 O ASP D 36 11.225 -12.825 -15.131 1.00 0.30 O ATOM 3182 CB ASP D 36 10.756 -13.686 -12.193 1.00 0.31 C ATOM 3183 CG ASP D 36 11.293 -14.465 -11.004 1.00 0.37 C ATOM 3184 OD1 ASP D 36 12.478 -14.860 -11.037 1.00 1.16 O ATOM 3185 OD2 ASP D 36 10.527 -14.682 -10.041 1.00 1.18 O ATOM 0 H ASP D 36 11.622 -11.774 -10.941 1.00 0.29 H new ATOM 0 HA ASP D 36 12.708 -13.281 -13.025 1.00 0.29 H new ATOM 0 HB2 ASP D 36 9.881 -13.115 -11.883 1.00 0.31 H new ATOM 0 HB3 ASP D 36 10.424 -14.385 -12.961 1.00 0.31 H new ATOM 3190 N ASN D 37 10.861 -10.871 -14.080 1.00 0.29 N ATOM 3191 CA ASN D 37 10.333 -10.219 -15.280 1.00 0.29 C ATOM 3192 C ASN D 37 11.272 -9.143 -15.834 1.00 0.28 C ATOM 3193 O ASN D 37 10.992 -8.553 -16.877 1.00 0.29 O ATOM 3194 CB ASN D 37 8.947 -9.631 -15.011 1.00 0.30 C ATOM 3195 CG ASN D 37 8.984 -8.429 -14.094 1.00 0.81 C ATOM 3196 OD1 ASN D 37 9.409 -7.345 -14.490 1.00 1.63 O ATOM 3197 ND2 ASN D 37 8.533 -8.616 -12.863 1.00 0.58 N ATOM 0 H ASN D 37 10.885 -10.280 -13.249 1.00 0.29 H new ATOM 0 HA ASN D 37 10.252 -10.992 -16.044 1.00 0.29 H new ATOM 0 HB2 ASN D 37 8.490 -9.345 -15.958 1.00 0.30 H new ATOM 0 HB3 ASN D 37 8.312 -10.399 -14.569 1.00 0.30 H new ATOM 0 HD21 ASN D 37 8.529 -7.842 -12.198 1.00 0.58 H new ATOM 0 HD22 ASN D 37 8.190 -9.534 -12.579 1.00 0.58 H new ATOM 3204 N GLY D 38 12.386 -8.898 -15.153 1.00 0.26 N ATOM 3205 CA GLY D 38 13.331 -7.903 -15.632 1.00 0.26 C ATOM 3206 C GLY D 38 13.239 -6.573 -14.904 1.00 0.26 C ATOM 3207 O GLY D 38 13.223 -5.517 -15.536 1.00 0.26 O ATOM 0 H GLY D 38 12.651 -9.365 -14.286 1.00 0.26 H new ATOM 0 HA2 GLY D 38 14.343 -8.295 -15.527 1.00 0.26 H new ATOM 0 HA3 GLY D 38 13.162 -7.737 -16.696 1.00 0.26 H new ATOM 3211 N VAL D 39 13.222 -6.618 -13.576 1.00 0.26 N ATOM 3212 CA VAL D 39 13.183 -5.402 -12.764 1.00 0.25 C ATOM 3213 C VAL D 39 14.372 -5.411 -11.823 1.00 0.25 C ATOM 3214 O VAL D 39 14.713 -6.456 -11.268 1.00 0.26 O ATOM 3215 CB VAL D 39 11.877 -5.272 -11.943 1.00 0.25 C ATOM 3216 CG1 VAL D 39 11.860 -3.972 -11.135 1.00 0.25 C ATOM 3217 CG2 VAL D 39 10.673 -5.345 -12.866 1.00 0.25 C ATOM 0 H VAL D 39 13.235 -7.483 -13.036 1.00 0.26 H new ATOM 0 HA VAL D 39 13.220 -4.548 -13.440 1.00 0.25 H new ATOM 0 HB VAL D 39 11.831 -6.101 -11.237 1.00 0.25 H new ATOM 0 HG11 VAL D 39 10.931 -3.908 -10.568 1.00 0.25 H new ATOM 0 HG12 VAL D 39 12.706 -3.960 -10.448 1.00 0.25 H new ATOM 0 HG13 VAL D 39 11.931 -3.121 -11.813 1.00 0.25 H new ATOM 0 HG21 VAL D 39 9.759 -5.253 -12.280 1.00 0.25 H new ATOM 0 HG22 VAL D 39 10.722 -4.534 -13.592 1.00 0.25 H new ATOM 0 HG23 VAL D 39 10.673 -6.301 -13.389 1.00 0.25 H new ATOM 3227 N ASP D 40 15.025 -4.271 -11.647 1.00 0.25 N ATOM 3228 CA ASP D 40 16.187 -4.221 -10.775 1.00 0.26 C ATOM 3229 C ASP D 40 16.355 -2.846 -10.138 1.00 0.24 C ATOM 3230 O ASP D 40 15.515 -1.960 -10.298 1.00 0.23 O ATOM 3231 CB ASP D 40 17.449 -4.584 -11.564 1.00 0.27 C ATOM 3232 CG ASP D 40 17.387 -5.981 -12.152 1.00 0.38 C ATOM 3233 OD1 ASP D 40 17.552 -6.956 -11.388 1.00 1.04 O ATOM 3234 OD2 ASP D 40 17.176 -6.100 -13.377 1.00 1.30 O ATOM 0 H ASP D 40 14.776 -3.385 -12.087 1.00 0.25 H new ATOM 0 HA ASP D 40 16.032 -4.945 -9.975 1.00 0.26 H new ATOM 0 HB2 ASP D 40 17.591 -3.861 -12.368 1.00 0.27 H new ATOM 0 HB3 ASP D 40 18.317 -4.507 -10.909 1.00 0.27 H new ATOM 3239 N GLY D 41 17.453 -2.692 -9.410 1.00 0.24 N ATOM 3240 CA GLY D 41 17.742 -1.439 -8.742 1.00 0.23 C ATOM 3241 C GLY D 41 17.875 -1.606 -7.244 1.00 0.22 C ATOM 3242 O GLY D 41 18.366 -2.631 -6.769 1.00 0.23 O ATOM 0 H GLY D 41 18.154 -3.420 -9.270 1.00 0.24 H new ATOM 0 HA2 GLY D 41 18.665 -1.021 -9.142 1.00 0.23 H new ATOM 0 HA3 GLY D 41 16.948 -0.723 -8.957 1.00 0.23 H new ATOM 3246 N GLU D 42 17.445 -0.596 -6.495 1.00 0.20 N ATOM 3247 CA GLU D 42 17.531 -0.640 -5.042 1.00 0.20 C ATOM 3248 C GLU D 42 16.387 0.135 -4.398 1.00 0.19 C ATOM 3249 O GLU D 42 15.840 1.065 -4.992 1.00 0.18 O ATOM 3250 CB GLU D 42 18.869 -0.068 -4.576 1.00 0.21 C ATOM 3251 CG GLU D 42 20.073 -0.882 -5.018 1.00 0.26 C ATOM 3252 CD GLU D 42 21.322 -0.531 -4.236 1.00 0.82 C ATOM 3253 OE1 GLU D 42 21.934 0.515 -4.536 1.00 1.55 O ATOM 3254 OE2 GLU D 42 21.684 -1.298 -3.320 1.00 1.58 O ATOM 0 H GLU D 42 17.035 0.260 -6.870 1.00 0.20 H new ATOM 0 HA GLU D 42 17.455 -1.683 -4.733 1.00 0.20 H new ATOM 0 HB2 GLU D 42 18.971 0.949 -4.956 1.00 0.21 H new ATOM 0 HB3 GLU D 42 18.866 -0.003 -3.488 1.00 0.21 H new ATOM 0 HG2 GLU D 42 19.856 -1.943 -4.895 1.00 0.26 H new ATOM 0 HG3 GLU D 42 20.253 -0.714 -6.080 1.00 0.26 H new ATOM 3261 N TRP D 43 16.044 -0.248 -3.173 1.00 0.19 N ATOM 3262 CA TRP D 43 14.976 0.410 -2.432 1.00 0.18 C ATOM 3263 C TRP D 43 15.417 1.781 -1.947 1.00 0.18 C ATOM 3264 O TRP D 43 16.324 1.901 -1.124 1.00 0.20 O ATOM 3265 CB TRP D 43 14.541 -0.454 -1.247 1.00 0.19 C ATOM 3266 CG TRP D 43 13.815 -1.699 -1.657 1.00 0.19 C ATOM 3267 CD1 TRP D 43 14.363 -2.928 -1.890 1.00 0.21 C ATOM 3268 CD2 TRP D 43 12.408 -1.835 -1.890 1.00 0.21 C ATOM 3269 NE1 TRP D 43 13.382 -3.820 -2.252 1.00 0.24 N ATOM 3270 CE2 TRP D 43 12.174 -3.173 -2.260 1.00 0.24 C ATOM 3271 CE3 TRP D 43 11.324 -0.956 -1.820 1.00 0.26 C ATOM 3272 CZ2 TRP D 43 10.900 -3.651 -2.559 1.00 0.29 C ATOM 3273 CZ3 TRP D 43 10.061 -1.431 -2.117 1.00 0.32 C ATOM 3274 CH2 TRP D 43 9.858 -2.768 -2.482 1.00 0.33 C ATOM 0 H TRP D 43 16.493 -1.014 -2.671 1.00 0.19 H new ATOM 0 HA TRP D 43 14.128 0.541 -3.104 1.00 0.18 H new ATOM 0 HB2 TRP D 43 15.420 -0.729 -0.665 1.00 0.19 H new ATOM 0 HB3 TRP D 43 13.898 0.135 -0.593 1.00 0.19 H new ATOM 0 HD1 TRP D 43 15.413 -3.164 -1.803 1.00 0.21 H new ATOM 0 HE1 TRP D 43 13.529 -4.804 -2.478 1.00 0.24 H new ATOM 0 HE3 TRP D 43 11.471 0.076 -1.539 1.00 0.26 H new ATOM 0 HZ2 TRP D 43 10.741 -4.681 -2.841 1.00 0.29 H new ATOM 0 HZ3 TRP D 43 9.216 -0.760 -2.067 1.00 0.32 H new ATOM 0 HH2 TRP D 43 8.858 -3.109 -2.707 1.00 0.33 H new ATOM 3285 N THR D 44 14.763 2.814 -2.462 1.00 0.18 N ATOM 3286 CA THR D 44 15.081 4.177 -2.080 1.00 0.18 C ATOM 3287 C THR D 44 13.977 4.757 -1.211 1.00 0.18 C ATOM 3288 O THR D 44 12.793 4.502 -1.430 1.00 0.18 O ATOM 3289 CB THR D 44 15.284 5.050 -3.320 1.00 0.18 C ATOM 3290 OG1 THR D 44 14.087 5.142 -4.070 1.00 0.19 O ATOM 3291 CG2 THR D 44 16.366 4.536 -4.245 1.00 0.19 C ATOM 0 H THR D 44 14.010 2.731 -3.145 1.00 0.18 H new ATOM 0 HA THR D 44 16.008 4.163 -1.507 1.00 0.18 H new ATOM 0 HB THR D 44 15.588 6.025 -2.939 1.00 0.18 H new ATOM 0 HG1 THR D 44 14.287 5.022 -5.022 1.00 0.19 H new ATOM 0 HG21 THR D 44 16.457 5.202 -5.103 1.00 0.19 H new ATOM 0 HG22 THR D 44 17.315 4.501 -3.710 1.00 0.19 H new ATOM 0 HG23 THR D 44 16.106 3.535 -4.588 1.00 0.19 H new ATOM 3299 N TYR D 45 14.379 5.543 -0.227 1.00 0.18 N ATOM 3300 CA TYR D 45 13.435 6.174 0.684 1.00 0.19 C ATOM 3301 C TYR D 45 12.650 7.270 -0.027 1.00 0.20 C ATOM 3302 O TYR D 45 13.198 8.007 -0.847 1.00 0.21 O ATOM 3303 CB TYR D 45 14.169 6.746 1.896 1.00 0.20 C ATOM 3304 CG TYR D 45 14.506 5.703 2.939 1.00 0.21 C ATOM 3305 CD1 TYR D 45 13.554 5.277 3.857 1.00 0.21 C ATOM 3306 CD2 TYR D 45 15.775 5.139 3.001 1.00 0.23 C ATOM 3307 CE1 TYR D 45 13.856 4.320 4.808 1.00 0.22 C ATOM 3308 CE2 TYR D 45 16.084 4.181 3.948 1.00 0.25 C ATOM 3309 CZ TYR D 45 15.122 3.775 4.849 1.00 0.24 C ATOM 3310 OH TYR D 45 15.427 2.820 5.792 1.00 0.27 O ATOM 0 H TYR D 45 15.357 5.761 -0.037 1.00 0.18 H new ATOM 0 HA TYR D 45 12.730 5.416 1.027 1.00 0.19 H new ATOM 0 HB2 TYR D 45 15.089 7.226 1.562 1.00 0.20 H new ATOM 0 HB3 TYR D 45 13.553 7.521 2.353 1.00 0.20 H new ATOM 0 HD1 TYR D 45 12.561 5.701 3.827 1.00 0.21 H new ATOM 0 HD2 TYR D 45 16.532 5.454 2.298 1.00 0.23 H new ATOM 0 HE1 TYR D 45 13.104 4.001 5.515 1.00 0.22 H new ATOM 0 HE2 TYR D 45 17.075 3.752 3.982 1.00 0.25 H new ATOM 0 HH TYR D 45 16.360 2.539 5.684 1.00 0.27 H new ATOM 3320 N ASP D 46 11.363 7.370 0.287 1.00 0.20 N ATOM 3321 CA ASP D 46 10.505 8.374 -0.329 1.00 0.22 C ATOM 3322 C ASP D 46 10.854 9.769 0.190 1.00 0.23 C ATOM 3323 O ASP D 46 11.488 9.910 1.235 1.00 0.23 O ATOM 3324 CB ASP D 46 9.036 8.069 -0.035 1.00 0.22 C ATOM 3325 CG ASP D 46 8.620 6.704 -0.542 1.00 0.23 C ATOM 3326 OD1 ASP D 46 9.507 5.843 -0.715 1.00 1.13 O ATOM 3327 OD2 ASP D 46 7.410 6.496 -0.767 1.00 1.14 O ATOM 0 H ASP D 46 10.892 6.769 0.963 1.00 0.20 H new ATOM 0 HA ASP D 46 10.667 8.347 -1.407 1.00 0.22 H new ATOM 0 HB2 ASP D 46 8.864 8.123 1.040 1.00 0.22 H new ATOM 0 HB3 ASP D 46 8.409 8.832 -0.497 1.00 0.22 H new ATOM 3332 N ASP D 47 10.446 10.794 -0.551 1.00 0.26 N ATOM 3333 CA ASP D 47 10.725 12.177 -0.167 1.00 0.29 C ATOM 3334 C ASP D 47 9.989 12.556 1.115 1.00 0.27 C ATOM 3335 O ASP D 47 8.789 12.314 1.248 1.00 0.26 O ATOM 3336 CB ASP D 47 10.317 13.132 -1.291 1.00 0.34 C ATOM 3337 CG ASP D 47 11.366 13.231 -2.380 1.00 1.43 C ATOM 3338 OD1 ASP D 47 12.392 13.907 -2.157 1.00 2.26 O ATOM 3339 OD2 ASP D 47 11.161 12.635 -3.459 1.00 2.15 O ATOM 0 H ASP D 47 9.921 10.695 -1.420 1.00 0.26 H new ATOM 0 HA ASP D 47 11.797 12.261 0.012 1.00 0.29 H new ATOM 0 HB2 ASP D 47 9.377 12.794 -1.727 1.00 0.34 H new ATOM 0 HB3 ASP D 47 10.137 14.123 -0.874 1.00 0.34 H new ATOM 3344 N ALA D 48 10.718 13.147 2.060 1.00 0.26 N ATOM 3345 CA ALA D 48 10.142 13.557 3.337 1.00 0.24 C ATOM 3346 C ALA D 48 8.923 14.453 3.142 1.00 0.21 C ATOM 3347 O ALA D 48 8.905 15.316 2.264 1.00 0.21 O ATOM 3348 CB ALA D 48 11.191 14.273 4.177 1.00 0.25 C ATOM 0 H ALA D 48 11.712 13.353 1.964 1.00 0.26 H new ATOM 0 HA ALA D 48 9.813 12.658 3.859 1.00 0.24 H new ATOM 0 HB1 ALA D 48 10.752 14.575 5.128 1.00 0.25 H new ATOM 0 HB2 ALA D 48 12.030 13.602 4.362 1.00 0.25 H new ATOM 0 HB3 ALA D 48 11.544 15.156 3.644 1.00 0.25 H new ATOM 3354 N THR D 49 7.906 14.237 3.970 1.00 0.18 N ATOM 3355 CA THR D 49 6.676 15.017 3.897 1.00 0.18 C ATOM 3356 C THR D 49 6.198 15.407 5.292 1.00 0.18 C ATOM 3357 O THR D 49 6.431 14.686 6.262 1.00 0.20 O ATOM 3358 CB THR D 49 5.591 14.214 3.179 1.00 0.23 C ATOM 3359 OG1 THR D 49 6.125 13.552 2.047 1.00 0.25 O ATOM 3360 CG2 THR D 49 4.427 15.058 2.708 1.00 0.28 C ATOM 0 H THR D 49 7.910 13.526 4.701 1.00 0.18 H new ATOM 0 HA THR D 49 6.880 15.929 3.336 1.00 0.18 H new ATOM 0 HB THR D 49 5.224 13.503 3.920 1.00 0.23 H new ATOM 0 HG1 THR D 49 5.416 13.042 1.602 1.00 0.25 H new ATOM 0 HG21 THR D 49 3.696 14.423 2.208 1.00 0.28 H new ATOM 0 HG22 THR D 49 3.960 15.544 3.565 1.00 0.28 H new ATOM 0 HG23 THR D 49 4.786 15.816 2.012 1.00 0.28 H new ATOM 3368 N LYS D 50 5.524 16.549 5.387 1.00 0.19 N ATOM 3369 CA LYS D 50 5.011 17.026 6.666 1.00 0.21 C ATOM 3370 C LYS D 50 3.489 17.114 6.634 1.00 0.20 C ATOM 3371 O LYS D 50 2.899 17.542 5.641 1.00 0.41 O ATOM 3372 CB LYS D 50 5.613 18.390 7.009 1.00 0.32 C ATOM 3373 CG LYS D 50 6.896 18.298 7.819 1.00 0.72 C ATOM 3374 CD LYS D 50 7.526 19.666 8.026 1.00 0.63 C ATOM 3375 CE LYS D 50 8.614 19.939 6.999 1.00 0.72 C ATOM 3376 NZ LYS D 50 9.575 20.976 7.468 1.00 0.85 N ATOM 0 H LYS D 50 5.321 17.160 4.596 1.00 0.19 H new ATOM 0 HA LYS D 50 5.301 16.313 7.438 1.00 0.21 H new ATOM 0 HB2 LYS D 50 5.814 18.933 6.085 1.00 0.32 H new ATOM 0 HB3 LYS D 50 4.880 18.972 7.568 1.00 0.32 H new ATOM 0 HG2 LYS D 50 6.684 17.844 8.787 1.00 0.72 H new ATOM 0 HG3 LYS D 50 7.603 17.644 7.308 1.00 0.72 H new ATOM 0 HD2 LYS D 50 6.758 20.436 7.957 1.00 0.63 H new ATOM 0 HD3 LYS D 50 7.948 19.726 9.029 1.00 0.63 H new ATOM 0 HE2 LYS D 50 9.152 19.015 6.786 1.00 0.72 H new ATOM 0 HE3 LYS D 50 8.157 20.264 6.064 1.00 0.72 H new ATOM 0 HZ1 LYS D 50 10.218 21.230 6.691 1.00 0.85 H new ATOM 0 HZ2 LYS D 50 9.052 21.821 7.775 1.00 0.85 H new ATOM 0 HZ3 LYS D 50 10.127 20.602 8.266 1.00 0.85 H new ATOM 3390 N THR D 51 2.861 16.690 7.725 1.00 0.24 N ATOM 3391 CA THR D 51 1.407 16.701 7.831 1.00 0.21 C ATOM 3392 C THR D 51 0.968 17.448 9.094 1.00 0.19 C ATOM 3393 O THR D 51 1.510 17.223 10.176 1.00 0.19 O ATOM 3394 CB THR D 51 0.883 15.256 7.828 1.00 0.23 C ATOM 3395 OG1 THR D 51 1.064 14.669 6.552 1.00 0.26 O ATOM 3396 CG2 THR D 51 -0.586 15.142 8.173 1.00 0.25 C ATOM 0 H THR D 51 3.339 16.333 8.552 1.00 0.24 H new ATOM 0 HA THR D 51 0.985 17.226 6.974 1.00 0.21 H new ATOM 0 HB THR D 51 1.458 14.740 8.597 1.00 0.23 H new ATOM 0 HG1 THR D 51 0.728 13.749 6.565 1.00 0.26 H new ATOM 0 HG21 THR D 51 -0.885 14.094 8.151 1.00 0.25 H new ATOM 0 HG22 THR D 51 -0.758 15.548 9.170 1.00 0.25 H new ATOM 0 HG23 THR D 51 -1.175 15.702 7.447 1.00 0.25 H new ATOM 3404 N PHE D 52 -0.015 18.342 8.952 1.00 0.20 N ATOM 3405 CA PHE D 52 -0.514 19.119 10.087 1.00 0.20 C ATOM 3406 C PHE D 52 -1.490 18.313 10.934 1.00 0.20 C ATOM 3407 O PHE D 52 -2.522 17.856 10.443 1.00 0.22 O ATOM 3408 CB PHE D 52 -1.196 20.408 9.613 1.00 0.22 C ATOM 3409 CG PHE D 52 -1.444 21.395 10.717 1.00 0.23 C ATOM 3410 CD1 PHE D 52 -0.421 22.201 11.190 1.00 0.27 C ATOM 3411 CD2 PHE D 52 -2.704 21.516 11.281 1.00 0.27 C ATOM 3412 CE1 PHE D 52 -0.651 23.111 12.204 1.00 0.31 C ATOM 3413 CE2 PHE D 52 -2.939 22.424 12.296 1.00 0.32 C ATOM 3414 CZ PHE D 52 -1.912 23.222 12.758 1.00 0.31 C ATOM 0 H PHE D 52 -0.478 18.544 8.066 1.00 0.20 H new ATOM 0 HA PHE D 52 0.350 19.374 10.701 1.00 0.20 H new ATOM 0 HB2 PHE D 52 -0.577 20.878 8.849 1.00 0.22 H new ATOM 0 HB3 PHE D 52 -2.146 20.155 9.142 1.00 0.22 H new ATOM 0 HD1 PHE D 52 0.567 22.117 10.761 1.00 0.27 H new ATOM 0 HD2 PHE D 52 -3.511 20.894 10.923 1.00 0.27 H new ATOM 0 HE1 PHE D 52 0.154 23.735 12.563 1.00 0.31 H new ATOM 0 HE2 PHE D 52 -3.925 22.509 12.727 1.00 0.32 H new ATOM 0 HZ PHE D 52 -2.094 23.932 13.551 1.00 0.31 H new ATOM 3424 N THR D 53 -1.169 18.162 12.212 1.00 0.19 N ATOM 3425 CA THR D 53 -2.032 17.433 13.130 1.00 0.19 C ATOM 3426 C THR D 53 -2.869 18.406 13.951 1.00 0.20 C ATOM 3427 O THR D 53 -2.330 19.288 14.620 1.00 0.21 O ATOM 3428 CB THR D 53 -1.203 16.544 14.058 1.00 0.19 C ATOM 3429 OG1 THR D 53 -0.364 15.682 13.309 1.00 0.20 O ATOM 3430 CG2 THR D 53 -2.050 15.683 14.969 1.00 0.20 C ATOM 0 H THR D 53 -0.319 18.534 12.635 1.00 0.19 H new ATOM 0 HA THR D 53 -2.698 16.799 12.545 1.00 0.19 H new ATOM 0 HB THR D 53 -0.617 17.229 14.671 1.00 0.19 H new ATOM 0 HG1 THR D 53 -0.347 14.797 13.729 1.00 0.20 H new ATOM 0 HG21 THR D 53 -1.402 15.076 15.602 1.00 0.20 H new ATOM 0 HG22 THR D 53 -2.675 16.320 15.595 1.00 0.20 H new ATOM 0 HG23 THR D 53 -2.684 15.031 14.368 1.00 0.20 H new ATOM 3438 N VAL D 54 -4.188 18.249 13.897 1.00 0.21 N ATOM 3439 CA VAL D 54 -5.083 19.126 14.639 1.00 0.23 C ATOM 3440 C VAL D 54 -4.975 18.872 16.135 1.00 0.24 C ATOM 3441 O VAL D 54 -4.563 17.796 16.566 1.00 0.24 O ATOM 3442 CB VAL D 54 -6.550 18.943 14.211 1.00 0.25 C ATOM 3443 CG1 VAL D 54 -7.427 20.016 14.837 1.00 0.28 C ATOM 3444 CG2 VAL D 54 -6.676 18.956 12.695 1.00 0.26 C ATOM 0 H VAL D 54 -4.657 17.527 13.350 1.00 0.21 H new ATOM 0 HA VAL D 54 -4.775 20.147 14.414 1.00 0.23 H new ATOM 0 HB VAL D 54 -6.892 17.972 14.569 1.00 0.25 H new ATOM 0 HG11 VAL D 54 -8.461 19.870 14.523 1.00 0.28 H new ATOM 0 HG12 VAL D 54 -7.365 19.949 15.923 1.00 0.28 H new ATOM 0 HG13 VAL D 54 -7.085 20.999 14.514 1.00 0.28 H new ATOM 0 HG21 VAL D 54 -7.721 18.825 12.416 1.00 0.26 H new ATOM 0 HG22 VAL D 54 -6.313 19.908 12.308 1.00 0.26 H new ATOM 0 HG23 VAL D 54 -6.083 18.144 12.274 1.00 0.26 H new ATOM 3454 N THR D 55 -5.343 19.874 16.921 1.00 0.26 N ATOM 3455 CA THR D 55 -5.283 19.769 18.372 1.00 0.29 C ATOM 3456 C THR D 55 -6.314 20.679 19.031 1.00 0.30 C ATOM 3457 O THR D 55 -7.314 20.212 19.575 1.00 0.34 O ATOM 3458 CB THR D 55 -3.881 20.127 18.862 1.00 0.28 C ATOM 3459 OG1 THR D 55 -2.903 19.348 18.197 1.00 0.29 O ATOM 3460 CG2 THR D 55 -3.696 19.926 20.350 1.00 0.30 C ATOM 0 H THR D 55 -5.687 20.771 16.577 1.00 0.26 H new ATOM 0 HA THR D 55 -5.511 18.740 18.650 1.00 0.29 H new ATOM 0 HB THR D 55 -3.760 21.187 18.639 1.00 0.28 H new ATOM 0 HG1 THR D 55 -2.033 19.475 18.631 1.00 0.29 H new ATOM 0 HG21 THR D 55 -2.679 20.199 20.630 1.00 0.30 H new ATOM 0 HG22 THR D 55 -4.403 20.554 20.893 1.00 0.30 H new ATOM 0 HG23 THR D 55 -3.873 18.880 20.601 1.00 0.30 H new ATOM 3468 N GLU D 56 -6.059 21.981 18.979 1.00 0.32 N ATOM 3469 CA GLU D 56 -6.959 22.965 19.572 1.00 0.35 C ATOM 3470 C GLU D 56 -7.018 22.806 21.088 1.00 1.23 C ATOM 3471 O GLU D 56 -6.317 23.566 21.789 1.00 2.01 O ATOM 3472 CB GLU D 56 -8.364 22.831 18.980 1.00 1.41 C ATOM 3473 CG GLU D 56 -8.377 22.695 17.467 1.00 2.55 C ATOM 3474 CD GLU D 56 -9.683 22.129 16.945 1.00 3.71 C ATOM 3475 OE1 GLU D 56 -10.733 22.773 17.149 1.00 4.26 O ATOM 3476 OE2 GLU D 56 -9.655 21.041 16.331 1.00 4.37 O ATOM 3477 OXT GLU D 56 -7.765 21.924 21.561 1.00 1.97 O ATOM 0 H GLU D 56 -5.235 22.381 18.531 1.00 0.32 H new ATOM 0 HA GLU D 56 -6.570 23.957 19.342 1.00 0.35 H new ATOM 0 HB2 GLU D 56 -8.852 21.961 19.419 1.00 1.41 H new ATOM 0 HB3 GLU D 56 -8.953 23.703 19.263 1.00 1.41 H new ATOM 0 HG2 GLU D 56 -8.203 23.672 17.016 1.00 2.55 H new ATOM 0 HG3 GLU D 56 -7.555 22.049 17.157 1.00 2.55 H new TER 3484 GLU D 56