USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 1486 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 12 MET CE :methyl -112:sc= 0 (180deg=-1.75!) USER MOD Set 1.2: B 75 TYR OH : rot 130:sc= -0.228 USER MOD Set 2.1: B 31 LYS NZ :NH3+ -133:sc= 0.591 (180deg=0) USER MOD Set 2.2: B 56 GLN : amide:sc= -0.135 K(o=-5.4,f=-6) USER MOD Set 2.3: B 59 MET CE :methyl 165:sc= -3.8! (180deg=-2.31!) USER MOD Set 2.4: B 68 ASN : amide:sc= -2.03! K(o=-5.4!,f=-3.8) USER MOD Set 3.1: B 28 LYS NZ :NH3+ 160:sc= 1.9 (180deg=0.00745) USER MOD Set 3.2: B 65 ASN : amide:sc= -2.4 K(o=-0.5,f=-6.2) USER MOD Set 4.1: B 14 SER OG : rot 44:sc= 0.436 USER MOD Set 4.2: B 17 HIS : no HE2:sc= -3.27! C(o=-2.8!,f=-4!) USER MOD Set 5.1: A 80 SER OG : rot 68:sc= 0.0648 USER MOD Set 5.2: A 84 MET CE :methyl -143:sc= -1.2 (180deg=-3.08!) USER MOD Set 5.3: B 80 SER OG : rot 66:sc= 0.076 USER MOD Set 5.4: B 84 MET CE :methyl -148:sc= -1.21 (180deg=-3.09!) USER MOD Set 6.1: A 31 LYS NZ :NH3+ -135:sc= 0.599 (180deg=0) USER MOD Set 6.2: A 56 GLN : amide:sc= -0.129 K(o=-5.1,f=-5.9) USER MOD Set 6.3: A 59 MET CE :methyl 169:sc= -3.74! (180deg=-2.45!) USER MOD Set 6.4: A 68 ASN : amide:sc= -1.88! K(o=-5.1!,f=-3.9) USER MOD Set 7.1: A 28 LYS NZ :NH3+ 157:sc= 1.83 (180deg=-0.156) USER MOD Set 7.2: A 65 ASN : amide:sc= -2.43 K(o=-0.6,f=-6) USER MOD Set 8.1: A 14 SER OG : rot 43:sc= 0.463 USER MOD Set 8.2: A 17 HIS : no HE2:sc= -3.29! C(o=-2.8!,f=-4.1!) USER MOD Set 9.1: A 12 MET CE :methyl -112:sc= 0 (180deg=-1.73!) USER MOD Set 9.2: A 75 TYR OH : rot 130:sc= -0.232 USER MOD Single : A 3 SER OG : rot 31:sc= 0.835 USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= -0.126 (180deg=-0.602) USER MOD Single : A 15 THR OG1 : rot 60:sc= 0.447 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 61:sc= 0.701 USER MOD Single : A 20 SER OG : rot -165:sc= 1.9 USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= 1.17 (180deg=-0.395) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -1.22 (180deg=-2.22!) USER MOD Single : A 30 ASN : amide:sc= -2.64! K(o=-2.6!,f=-0.15) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0323) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 47:sc= 0.152 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.116 (180deg=-0.488) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.71! K(o=-2.7!,f=-1.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.089) USER MOD Single : A 76 SER OG : rot -80:sc= 0 USER MOD Single : A 81 SER OG : rot 85:sc= 1.22 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -81:sc= 0.991 USER MOD Single : A 87 ASN : amide:sc= -9.48! C(o=-9.5!,f=-8.3!) USER MOD Single : A 96 LYS NZ :NH3+ -141:sc= -1.96! (180deg=-3.88!) USER MOD Single : B 3 SER OG : rot 29:sc= 0.813 USER MOD Single : B 7 LYS NZ :NH3+ 157:sc= -0.14 (180deg=-0.599) USER MOD Single : B 15 THR OG1 : rot 59:sc= 0.429 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 60:sc= 0.702 USER MOD Single : B 20 SER OG : rot -169:sc= 1.91 USER MOD Single : B 22 LYS NZ :NH3+ -138:sc= 1.21 (180deg=-0.393) USER MOD Single : B 26 LYS NZ :NH3+ 157:sc= -1.28 (180deg=-2.08!) USER MOD Single : B 30 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.27) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0372) USER MOD Single : B 39 THR OG1 : rot -13:sc= 0.00313 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 48:sc= 0.164 USER MOD Single : B 57 LYS NZ :NH3+ 156:sc= -0.0881 (180deg=-0.541) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -2.86! K(o=-2.9!,f=-1.6) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 73 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.095) USER MOD Single : B 76 SER OG : rot -80:sc= 0 USER MOD Single : B 81 SER OG : rot 73:sc= 1.2 USER MOD Single : B 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 86 SER OG : rot -81:sc= 0.987 USER MOD Single : B 87 ASN : amide:sc= -9.85! C(o=-9.9!,f=-8.4!) USER MOD Single : B 96 LYS NZ :NH3+ -141:sc= -2.03! (180deg=-3.87!) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.912 3.027 13.531 1.00 0.79 N ATOM 31 CA SER A 3 -7.242 4.078 14.291 1.00 0.78 C ATOM 32 C SER A 3 -5.837 4.393 13.699 1.00 0.65 C ATOM 33 O SER A 3 -5.632 4.217 12.506 1.00 0.83 O ATOM 34 CB SER A 3 -7.179 3.571 15.734 1.00 0.97 C ATOM 35 OG SER A 3 -8.235 2.657 15.984 1.00 1.18 O ATOM 0 HA SER A 3 -7.782 5.024 14.244 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.220 3.086 15.914 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.246 4.412 16.425 1.00 0.97 H new ATOM 0 HG SER A 3 -8.460 2.183 15.156 1.00 1.18 H new ATOM 41 N PRO A 4 -4.887 4.998 14.458 1.00 0.67 N ATOM 42 CA PRO A 4 -3.485 5.148 14.035 1.00 0.62 C ATOM 43 C PRO A 4 -2.911 4.073 13.074 1.00 0.46 C ATOM 44 O PRO A 4 -1.844 4.290 12.530 1.00 0.50 O ATOM 45 CB PRO A 4 -2.759 5.105 15.371 1.00 0.79 C ATOM 46 CG PRO A 4 -3.663 5.846 16.296 1.00 0.96 C ATOM 47 CD PRO A 4 -5.071 5.662 15.771 1.00 0.87 C ATOM 0 HA PRO A 4 -3.369 6.051 13.435 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.599 4.080 15.705 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -1.778 5.577 15.308 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.576 5.462 17.312 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.398 6.903 16.331 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.671 5.051 16.446 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -5.584 6.618 15.665 1.00 0.87 H new ATOM 55 N LEU A 5 -3.577 2.924 12.872 1.00 0.36 N ATOM 56 CA LEU A 5 -3.080 1.908 11.940 1.00 0.32 C ATOM 57 C LEU A 5 -3.046 2.450 10.515 1.00 0.30 C ATOM 58 O LEU A 5 -2.075 2.242 9.795 1.00 0.32 O ATOM 59 CB LEU A 5 -3.942 0.650 12.001 1.00 0.31 C ATOM 60 CG LEU A 5 -3.560 -0.474 11.029 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.483 -1.793 11.775 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.568 -0.583 9.897 1.00 0.27 C ATOM 0 H LEU A 5 -4.451 2.680 13.338 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.064 1.649 12.238 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.902 0.255 13.016 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.977 0.933 11.810 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.586 -0.238 10.599 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.211 -2.588 11.081 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.730 -1.724 12.560 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.452 -2.016 12.221 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.273 -1.387 9.223 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.555 -0.797 10.308 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.601 0.358 9.347 1.00 0.27 H new ATOM 74 N GLU A 6 -4.112 3.139 10.114 1.00 0.34 N ATOM 75 CA GLU A 6 -4.135 3.841 8.833 1.00 0.42 C ATOM 76 C GLU A 6 -2.919 4.746 8.735 1.00 0.33 C ATOM 77 O GLU A 6 -2.098 4.685 7.809 1.00 0.31 O ATOM 78 CB GLU A 6 -5.367 4.729 8.748 1.00 0.62 C ATOM 79 CG GLU A 6 -5.362 5.615 7.521 1.00 1.80 C ATOM 80 CD GLU A 6 -5.890 7.015 7.779 1.00 2.84 C ATOM 81 OE1 GLU A 6 -6.321 7.299 8.911 1.00 3.61 O ATOM 82 OE2 GLU A 6 -5.869 7.846 6.847 1.00 3.32 O ATOM 0 H GLU A 6 -4.971 3.226 10.657 1.00 0.34 H new ATOM 0 HA GLU A 6 -4.142 3.101 8.033 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -6.260 4.105 8.737 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.424 5.351 9.641 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.344 5.685 7.138 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -5.964 5.146 6.743 1.00 1.80 H new ATOM 89 N LYS A 7 -2.830 5.580 9.745 1.00 0.35 N ATOM 90 CA LYS A 7 -1.773 6.559 9.873 1.00 0.36 C ATOM 91 C LYS A 7 -0.421 5.848 9.970 1.00 0.32 C ATOM 92 O LYS A 7 0.619 6.435 9.698 1.00 0.35 O ATOM 93 CB LYS A 7 -1.990 7.431 11.121 1.00 0.44 C ATOM 94 CG LYS A 7 -3.446 7.590 11.574 1.00 0.63 C ATOM 95 CD LYS A 7 -4.276 8.501 10.675 1.00 0.79 C ATOM 96 CE LYS A 7 -5.591 8.862 11.353 1.00 1.78 C ATOM 97 NZ LYS A 7 -5.382 9.654 12.592 1.00 2.82 N ATOM 0 H LYS A 7 -3.500 5.598 10.514 1.00 0.35 H new ATOM 0 HA LYS A 7 -1.786 7.202 8.993 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -1.417 7.004 11.944 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.579 8.421 10.926 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -3.915 6.607 11.610 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -3.459 7.987 12.589 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -3.715 9.408 10.449 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -4.474 8.003 9.726 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -6.211 9.431 10.660 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -6.136 7.950 11.594 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -6.236 10.211 12.796 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -5.190 9.011 13.387 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -4.573 10.295 12.462 1.00 2.82 H new ATOM 111 N ALA A 8 -0.456 4.581 10.374 1.00 0.29 N ATOM 112 CA ALA A 8 0.743 3.774 10.536 1.00 0.29 C ATOM 113 C ALA A 8 1.249 3.273 9.199 1.00 0.27 C ATOM 114 O ALA A 8 2.446 3.063 9.032 1.00 0.28 O ATOM 115 CB ALA A 8 0.491 2.607 11.470 1.00 0.32 C ATOM 0 H ALA A 8 -1.320 4.087 10.598 1.00 0.29 H new ATOM 0 HA ALA A 8 1.510 4.411 10.977 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.404 2.020 11.573 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.188 2.982 12.448 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.300 1.978 11.062 1.00 0.32 H new ATOM 121 N LEU A 9 0.346 3.059 8.246 1.00 0.26 N ATOM 122 CA LEU A 9 0.785 2.813 6.870 1.00 0.26 C ATOM 123 C LEU A 9 1.581 4.030 6.419 1.00 0.26 C ATOM 124 O LEU A 9 2.626 3.926 5.769 1.00 0.26 O ATOM 125 CB LEU A 9 -0.384 2.593 5.896 1.00 0.26 C ATOM 126 CG LEU A 9 -1.676 2.041 6.494 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.735 1.872 5.416 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.443 0.727 7.218 1.00 0.27 C ATOM 0 H LEU A 9 -0.664 3.050 8.390 1.00 0.26 H new ATOM 0 HA LEU A 9 1.380 1.900 6.860 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.610 3.544 5.415 1.00 0.26 H new ATOM 0 HB3 LEU A 9 -0.052 1.911 5.113 1.00 0.26 H new ATOM 0 HG LEU A 9 -2.032 2.764 7.227 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.648 1.478 5.862 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.943 2.838 4.956 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.373 1.179 4.656 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.386 0.366 7.630 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -1.047 -0.009 6.518 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.728 0.879 8.027 1.00 0.27 H new ATOM 140 N ASP A 10 1.075 5.192 6.807 1.00 0.27 N ATOM 141 CA ASP A 10 1.775 6.455 6.563 1.00 0.29 C ATOM 142 C ASP A 10 3.085 6.502 7.357 1.00 0.27 C ATOM 143 O ASP A 10 4.082 7.070 6.906 1.00 0.28 O ATOM 144 CB ASP A 10 0.882 7.645 6.933 1.00 0.33 C ATOM 145 CG ASP A 10 1.602 8.977 6.838 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.772 9.492 5.715 1.00 1.18 O ATOM 147 OD2 ASP A 10 1.988 9.525 7.892 1.00 1.16 O ATOM 0 H ASP A 10 0.183 5.291 7.292 1.00 0.27 H new ATOM 0 HA ASP A 10 2.011 6.519 5.501 1.00 0.29 H new ATOM 0 HB2 ASP A 10 0.014 7.660 6.274 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.509 7.511 7.949 1.00 0.33 H new ATOM 152 N VAL A 11 3.089 5.879 8.531 1.00 0.27 N ATOM 153 CA VAL A 11 4.293 5.780 9.341 1.00 0.27 C ATOM 154 C VAL A 11 5.293 4.826 8.687 1.00 0.27 C ATOM 155 O VAL A 11 6.490 4.907 8.932 1.00 0.29 O ATOM 156 CB VAL A 11 3.968 5.312 10.778 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.236 5.063 11.574 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.099 6.334 11.489 1.00 0.31 C ATOM 0 H VAL A 11 2.268 5.435 8.942 1.00 0.27 H new ATOM 0 HA VAL A 11 4.737 6.773 9.405 1.00 0.27 H new ATOM 0 HB VAL A 11 3.420 4.372 10.705 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.975 4.735 12.580 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.828 4.291 11.083 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.816 5.984 11.631 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.881 5.987 12.499 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.625 7.287 11.539 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.166 6.463 10.940 1.00 0.31 H new ATOM 168 N MET A 12 4.797 3.924 7.848 1.00 0.26 N ATOM 169 CA MET A 12 5.666 3.036 7.083 1.00 0.29 C ATOM 170 C MET A 12 6.406 3.840 6.014 1.00 0.29 C ATOM 171 O MET A 12 7.539 3.529 5.654 1.00 0.34 O ATOM 172 CB MET A 12 4.862 1.901 6.444 1.00 0.32 C ATOM 173 CG MET A 12 5.721 0.774 5.900 1.00 0.98 C ATOM 174 SD MET A 12 6.671 -0.069 7.177 1.00 2.23 S ATOM 175 CE MET A 12 7.284 -1.482 6.265 1.00 2.75 C ATOM 0 H MET A 12 3.800 3.788 7.680 1.00 0.26 H new ATOM 0 HA MET A 12 6.393 2.587 7.760 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.172 1.495 7.184 1.00 0.32 H new ATOM 0 HB3 MET A 12 4.257 2.308 5.634 1.00 0.32 H new ATOM 0 HG2 MET A 12 5.082 0.050 5.393 1.00 0.98 H new ATOM 0 HG3 MET A 12 6.405 1.175 5.152 1.00 0.98 H new ATOM 0 HE1 MET A 12 6.816 -2.390 6.644 1.00 2.75 H new ATOM 0 HE2 MET A 12 7.045 -1.364 5.208 1.00 2.75 H new ATOM 0 HE3 MET A 12 8.365 -1.553 6.387 1.00 2.75 H new ATOM 185 N VAL A 13 5.755 4.887 5.518 1.00 0.29 N ATOM 186 CA VAL A 13 6.413 5.853 4.639 1.00 0.31 C ATOM 187 C VAL A 13 7.582 6.524 5.384 1.00 0.27 C ATOM 188 O VAL A 13 8.696 6.681 4.852 1.00 0.27 O ATOM 189 CB VAL A 13 5.408 6.927 4.148 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.101 7.987 3.312 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.271 6.286 3.356 1.00 0.42 C ATOM 0 H VAL A 13 4.774 5.090 5.708 1.00 0.29 H new ATOM 0 HA VAL A 13 6.797 5.323 3.768 1.00 0.31 H new ATOM 0 HB VAL A 13 4.987 7.411 5.029 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.370 8.726 2.982 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.869 8.478 3.910 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.562 7.520 2.442 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.579 7.059 3.022 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.679 5.766 2.489 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.742 5.575 3.990 1.00 0.42 H new ATOM 201 N SER A 14 7.331 6.891 6.635 1.00 0.26 N ATOM 202 CA SER A 14 8.363 7.468 7.487 1.00 0.26 C ATOM 203 C SER A 14 9.433 6.424 7.799 1.00 0.25 C ATOM 204 O SER A 14 10.625 6.737 7.860 1.00 0.26 O ATOM 205 CB SER A 14 7.740 8.017 8.776 1.00 0.31 C ATOM 206 OG SER A 14 8.679 8.761 9.533 1.00 1.18 O ATOM 0 H SER A 14 6.419 6.799 7.083 1.00 0.26 H new ATOM 0 HA SER A 14 8.837 8.295 6.959 1.00 0.26 H new ATOM 0 HB2 SER A 14 6.888 8.650 8.528 1.00 0.31 H new ATOM 0 HB3 SER A 14 7.359 7.191 9.377 1.00 0.31 H new ATOM 0 HG SER A 14 9.200 9.336 8.934 1.00 1.18 H new ATOM 212 N THR A 15 8.985 5.191 7.979 1.00 0.28 N ATOM 213 CA THR A 15 9.859 4.038 8.114 1.00 0.32 C ATOM 214 C THR A 15 10.900 4.031 6.989 1.00 0.28 C ATOM 215 O THR A 15 12.092 3.780 7.211 1.00 0.29 O ATOM 216 CB THR A 15 9.019 2.751 8.060 1.00 0.45 C ATOM 217 OG1 THR A 15 8.184 2.677 9.225 1.00 0.59 O ATOM 218 CG2 THR A 15 9.893 1.519 7.965 1.00 0.93 C ATOM 0 H THR A 15 7.993 4.961 8.036 1.00 0.28 H new ATOM 0 HA THR A 15 10.379 4.091 9.071 1.00 0.32 H new ATOM 0 HB THR A 15 8.400 2.784 7.164 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.592 3.457 9.253 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.265 0.629 7.929 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.499 1.572 7.061 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.545 1.467 8.837 1.00 0.93 H new ATOM 226 N PHE A 16 10.434 4.360 5.786 1.00 0.27 N ATOM 227 CA PHE A 16 11.274 4.372 4.605 1.00 0.27 C ATOM 228 C PHE A 16 12.416 5.355 4.719 1.00 0.29 C ATOM 229 O PHE A 16 13.575 4.947 4.742 1.00 0.37 O ATOM 230 CB PHE A 16 10.452 4.694 3.363 1.00 0.34 C ATOM 231 CG PHE A 16 11.291 4.900 2.134 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.713 3.824 1.382 1.00 1.73 C ATOM 233 CD2 PHE A 16 11.669 6.171 1.744 1.00 1.65 C ATOM 234 CE1 PHE A 16 12.495 4.009 0.262 1.00 2.34 C ATOM 235 CE2 PHE A 16 12.454 6.364 0.629 1.00 2.27 C ATOM 236 CZ PHE A 16 12.867 5.280 -0.113 1.00 2.36 C ATOM 0 H PHE A 16 9.465 4.624 5.610 1.00 0.27 H new ATOM 0 HA PHE A 16 11.699 3.372 4.517 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.747 3.883 3.182 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.863 5.593 3.548 1.00 0.34 H new ATOM 0 HD1 PHE A 16 11.427 2.824 1.674 1.00 1.73 H new ATOM 0 HD2 PHE A 16 11.344 7.024 2.321 1.00 1.65 H new ATOM 0 HE1 PHE A 16 12.815 3.158 -0.320 1.00 2.34 H new ATOM 0 HE2 PHE A 16 12.745 7.362 0.337 1.00 2.27 H new ATOM 0 HZ PHE A 16 13.482 5.427 -0.988 1.00 2.36 H new ATOM 246 N HIS A 17 12.102 6.642 4.820 1.00 0.30 N ATOM 247 CA HIS A 17 13.160 7.654 4.759 1.00 0.40 C ATOM 248 C HIS A 17 14.099 7.543 5.949 1.00 0.36 C ATOM 249 O HIS A 17 15.218 8.054 5.918 1.00 0.42 O ATOM 250 CB HIS A 17 12.605 9.074 4.630 1.00 0.59 C ATOM 251 CG HIS A 17 11.746 9.532 5.770 1.00 0.81 C ATOM 252 ND1 HIS A 17 12.251 10.027 6.951 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.402 9.587 5.889 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.254 10.362 7.747 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.119 10.109 7.125 1.00 2.20 N ATOM 0 H HIS A 17 11.157 7.005 4.941 1.00 0.30 H new ATOM 0 HA HIS A 17 13.732 7.453 3.853 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.441 9.765 4.526 1.00 0.59 H new ATOM 0 HB3 HIS A 17 12.023 9.137 3.710 1.00 0.59 H new ATOM 0 HD1 HIS A 17 13.242 10.120 7.176 1.00 1.53 H new ATOM 0 HD2 HIS A 17 9.682 9.277 5.147 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.351 10.774 8.741 1.00 2.03 H new ATOM 264 N LYS A 18 13.642 6.856 6.982 1.00 0.34 N ATOM 265 CA LYS A 18 14.477 6.552 8.124 1.00 0.39 C ATOM 266 C LYS A 18 15.632 5.652 7.709 1.00 0.37 C ATOM 267 O LYS A 18 16.788 5.932 8.014 1.00 0.47 O ATOM 268 CB LYS A 18 13.649 5.872 9.210 1.00 0.43 C ATOM 269 CG LYS A 18 14.484 5.316 10.353 1.00 0.55 C ATOM 270 CD LYS A 18 13.629 5.031 11.578 1.00 0.73 C ATOM 271 CE LYS A 18 12.517 4.040 11.280 1.00 0.80 C ATOM 272 NZ LYS A 18 11.648 3.822 12.464 1.00 1.28 N ATOM 0 H LYS A 18 12.690 6.497 7.050 1.00 0.34 H new ATOM 0 HA LYS A 18 14.883 7.483 8.518 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.931 6.588 9.610 1.00 0.43 H new ATOM 0 HB3 LYS A 18 13.074 5.061 8.763 1.00 0.43 H new ATOM 0 HG2 LYS A 18 14.979 4.399 10.032 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.268 6.027 10.612 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.259 4.639 12.376 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.196 5.963 11.942 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.915 4.407 10.449 1.00 0.80 H new ATOM 0 HE3 LYS A 18 12.950 3.090 10.966 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 10.900 3.140 12.225 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.219 3.449 13.249 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 11.216 4.724 12.748 1.00 1.28 H new ATOM 286 N TYR A 19 15.310 4.578 7.004 1.00 0.29 N ATOM 287 CA TYR A 19 16.314 3.615 6.573 1.00 0.29 C ATOM 288 C TYR A 19 17.022 4.053 5.302 1.00 0.33 C ATOM 289 O TYR A 19 18.178 3.703 5.084 1.00 0.44 O ATOM 290 CB TYR A 19 15.684 2.247 6.383 1.00 0.31 C ATOM 291 CG TYR A 19 15.617 1.450 7.658 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.765 1.823 8.685 1.00 1.28 C ATOM 293 CD2 TYR A 19 16.414 0.328 7.839 1.00 1.23 C ATOM 294 CE1 TYR A 19 14.706 1.100 9.855 1.00 1.35 C ATOM 295 CE2 TYR A 19 16.357 -0.404 9.006 1.00 1.26 C ATOM 296 CZ TYR A 19 15.503 -0.012 10.010 1.00 0.62 C ATOM 297 OH TYR A 19 15.422 -0.749 11.167 1.00 0.79 O ATOM 0 H TYR A 19 14.358 4.350 6.717 1.00 0.29 H new ATOM 0 HA TYR A 19 17.067 3.558 7.359 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.677 2.369 5.983 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.256 1.689 5.642 1.00 0.31 H new ATOM 0 HD1 TYR A 19 14.138 2.694 8.566 1.00 1.28 H new ATOM 0 HD2 TYR A 19 17.089 0.024 7.053 1.00 1.23 H new ATOM 0 HE1 TYR A 19 14.038 1.404 10.647 1.00 1.35 H new ATOM 0 HE2 TYR A 19 16.978 -1.279 9.131 1.00 1.26 H new ATOM 0 HH TYR A 19 14.514 -1.103 11.266 1.00 0.79 H new ATOM 307 N SER A 20 16.335 4.813 4.467 1.00 0.29 N ATOM 308 CA SER A 20 16.918 5.292 3.228 1.00 0.32 C ATOM 309 C SER A 20 18.071 6.231 3.522 1.00 0.40 C ATOM 310 O SER A 20 19.187 6.028 3.054 1.00 0.60 O ATOM 311 CB SER A 20 15.854 6.007 2.407 1.00 0.35 C ATOM 312 OG SER A 20 14.719 5.184 2.258 1.00 0.86 O ATOM 0 H SER A 20 15.373 5.111 4.625 1.00 0.29 H new ATOM 0 HA SER A 20 17.298 4.443 2.659 1.00 0.32 H new ATOM 0 HB2 SER A 20 15.574 6.940 2.895 1.00 0.35 H new ATOM 0 HB3 SER A 20 16.254 6.268 1.427 1.00 0.35 H new ATOM 0 HG SER A 20 14.145 5.543 1.549 1.00 0.86 H new ATOM 318 N GLY A 21 17.805 7.220 4.362 1.00 0.37 N ATOM 319 CA GLY A 21 18.790 8.244 4.630 1.00 0.43 C ATOM 320 C GLY A 21 19.806 7.840 5.674 1.00 0.41 C ATOM 321 O GLY A 21 20.305 8.677 6.425 1.00 0.46 O ATOM 0 H GLY A 21 16.923 7.331 4.863 1.00 0.37 H new ATOM 0 HA2 GLY A 21 19.310 8.489 3.704 1.00 0.43 H new ATOM 0 HA3 GLY A 21 18.281 9.150 4.960 1.00 0.43 H new ATOM 325 N LYS A 22 20.108 6.556 5.727 1.00 0.40 N ATOM 326 CA LYS A 22 21.157 6.060 6.595 1.00 0.46 C ATOM 327 C LYS A 22 22.459 5.990 5.814 1.00 0.52 C ATOM 328 O LYS A 22 23.535 6.303 6.324 1.00 0.65 O ATOM 329 CB LYS A 22 20.805 4.677 7.126 1.00 0.47 C ATOM 330 CG LYS A 22 19.506 4.622 7.906 1.00 0.60 C ATOM 331 CD LYS A 22 19.355 3.282 8.605 1.00 0.56 C ATOM 332 CE LYS A 22 19.443 2.128 7.622 1.00 0.49 C ATOM 333 NZ LYS A 22 19.905 0.878 8.279 1.00 1.08 N ATOM 0 H LYS A 22 19.639 5.836 5.177 1.00 0.40 H new ATOM 0 HA LYS A 22 21.266 6.738 7.441 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.742 3.984 6.287 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.615 4.329 7.767 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.484 5.426 8.642 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.664 4.783 7.232 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.132 3.176 9.362 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.397 3.247 9.124 1.00 0.56 H new ATOM 0 HE2 LYS A 22 18.466 1.961 7.169 1.00 0.49 H new ATOM 0 HE3 LYS A 22 20.128 2.389 6.815 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 20.603 0.404 7.671 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 20.343 1.108 9.194 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 19.093 0.246 8.433 1.00 1.08 H new ATOM 347 N GLU A 23 22.338 5.596 4.557 1.00 0.47 N ATOM 348 CA GLU A 23 23.479 5.451 3.676 1.00 0.55 C ATOM 349 C GLU A 23 23.048 5.751 2.249 1.00 0.58 C ATOM 350 O GLU A 23 21.888 5.542 1.900 1.00 0.64 O ATOM 351 CB GLU A 23 24.046 4.031 3.782 1.00 0.67 C ATOM 352 CG GLU A 23 25.309 3.810 2.968 1.00 1.15 C ATOM 353 CD GLU A 23 26.393 4.805 3.312 1.00 1.59 C ATOM 354 OE1 GLU A 23 27.130 4.578 4.290 1.00 1.96 O ATOM 355 OE2 GLU A 23 26.506 5.830 2.609 1.00 2.38 O ATOM 0 H GLU A 23 21.444 5.368 4.121 1.00 0.47 H new ATOM 0 HA GLU A 23 24.261 6.153 3.967 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.257 3.812 4.829 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.286 3.322 3.455 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.678 2.799 3.141 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.073 3.886 1.907 1.00 1.15 H new ATOM 362 N GLY A 24 23.969 6.250 1.438 1.00 0.72 N ATOM 363 CA GLY A 24 23.650 6.572 0.063 1.00 0.85 C ATOM 364 C GLY A 24 22.732 7.771 -0.048 1.00 0.79 C ATOM 365 O GLY A 24 23.080 8.871 0.388 1.00 0.92 O ATOM 0 H GLY A 24 24.934 6.438 1.709 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.571 6.771 -0.485 1.00 0.85 H new ATOM 0 HA3 GLY A 24 23.178 5.711 -0.409 1.00 0.85 H new ATOM 369 N ASP A 25 21.555 7.559 -0.616 1.00 0.71 N ATOM 370 CA ASP A 25 20.577 8.628 -0.787 1.00 0.70 C ATOM 371 C ASP A 25 19.782 8.815 0.505 1.00 0.73 C ATOM 372 O ASP A 25 20.017 8.121 1.489 1.00 1.34 O ATOM 373 CB ASP A 25 19.635 8.284 -1.945 1.00 0.73 C ATOM 374 CG ASP A 25 18.968 9.504 -2.553 1.00 1.04 C ATOM 375 OD1 ASP A 25 17.891 9.903 -2.069 1.00 1.75 O ATOM 376 OD2 ASP A 25 19.515 10.065 -3.527 1.00 1.65 O ATOM 0 H ASP A 25 21.251 6.652 -0.969 1.00 0.71 H new ATOM 0 HA ASP A 25 21.095 9.559 -1.017 1.00 0.70 H new ATOM 0 HB2 ASP A 25 20.197 7.761 -2.719 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.867 7.597 -1.589 1.00 0.73 H new ATOM 381 N LYS A 26 18.862 9.767 0.511 1.00 0.61 N ATOM 382 CA LYS A 26 18.022 10.013 1.673 1.00 0.56 C ATOM 383 C LYS A 26 16.560 9.815 1.313 1.00 0.49 C ATOM 384 O LYS A 26 15.665 10.029 2.134 1.00 0.55 O ATOM 385 CB LYS A 26 18.256 11.429 2.193 1.00 0.71 C ATOM 386 CG LYS A 26 18.589 11.490 3.672 1.00 1.03 C ATOM 387 CD LYS A 26 17.373 11.248 4.563 1.00 0.70 C ATOM 388 CE LYS A 26 16.572 12.523 4.803 1.00 0.94 C ATOM 389 NZ LYS A 26 15.939 13.051 3.565 1.00 1.56 N ATOM 0 H LYS A 26 18.678 10.385 -0.280 1.00 0.61 H new ATOM 0 HA LYS A 26 18.284 9.304 2.458 1.00 0.56 H new ATOM 0 HB2 LYS A 26 19.069 11.884 1.628 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.364 12.027 2.006 1.00 0.71 H new ATOM 0 HG2 LYS A 26 19.353 10.747 3.899 1.00 1.03 H new ATOM 0 HG3 LYS A 26 19.015 12.466 3.904 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.730 10.498 4.102 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.701 10.841 5.520 1.00 0.70 H new ATOM 0 HE2 LYS A 26 15.798 12.326 5.545 1.00 0.94 H new ATOM 0 HE3 LYS A 26 17.229 13.285 5.223 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.169 13.702 3.819 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 16.650 13.559 3.001 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 15.555 12.261 3.008 1.00 1.56 H new ATOM 403 N PHE A 27 16.332 9.421 0.071 1.00 0.45 N ATOM 404 CA PHE A 27 14.994 9.174 -0.433 1.00 0.44 C ATOM 405 C PHE A 27 14.983 7.865 -1.220 1.00 0.40 C ATOM 406 O PHE A 27 14.011 7.552 -1.908 1.00 0.40 O ATOM 407 CB PHE A 27 14.537 10.336 -1.330 1.00 0.50 C ATOM 408 CG PHE A 27 14.769 11.695 -0.723 1.00 0.78 C ATOM 409 CD1 PHE A 27 13.922 12.186 0.255 1.00 1.76 C ATOM 410 CD2 PHE A 27 15.837 12.478 -1.131 1.00 1.28 C ATOM 411 CE1 PHE A 27 14.134 13.430 0.815 1.00 2.09 C ATOM 412 CE2 PHE A 27 16.054 13.724 -0.576 1.00 1.59 C ATOM 413 CZ PHE A 27 15.201 14.200 0.399 1.00 1.65 C ATOM 0 H PHE A 27 17.070 9.264 -0.615 1.00 0.45 H new ATOM 0 HA PHE A 27 14.304 9.097 0.407 1.00 0.44 H new ATOM 0 HB2 PHE A 27 15.064 10.278 -2.282 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.475 10.221 -1.546 1.00 0.50 H new ATOM 0 HD1 PHE A 27 13.085 11.589 0.584 1.00 1.76 H new ATOM 0 HD2 PHE A 27 16.508 12.109 -1.893 1.00 1.28 H new ATOM 0 HE1 PHE A 27 13.465 13.800 1.578 1.00 2.09 H new ATOM 0 HE2 PHE A 27 16.889 14.325 -0.904 1.00 1.59 H new ATOM 0 HZ PHE A 27 15.368 15.174 0.836 1.00 1.65 H new ATOM 423 N LYS A 28 16.081 7.111 -1.108 1.00 0.39 N ATOM 424 CA LYS A 28 16.229 5.836 -1.807 1.00 0.36 C ATOM 425 C LYS A 28 17.024 4.843 -0.964 1.00 0.34 C ATOM 426 O LYS A 28 17.949 5.219 -0.245 1.00 0.38 O ATOM 427 CB LYS A 28 16.911 6.020 -3.170 1.00 0.40 C ATOM 428 CG LYS A 28 16.099 6.818 -4.176 1.00 0.49 C ATOM 429 CD LYS A 28 16.112 6.151 -5.540 1.00 0.56 C ATOM 430 CE LYS A 28 15.303 6.935 -6.558 1.00 0.86 C ATOM 431 NZ LYS A 28 14.763 6.049 -7.627 1.00 1.70 N ATOM 0 H LYS A 28 16.885 7.367 -0.534 1.00 0.39 H new ATOM 0 HA LYS A 28 15.227 5.440 -1.973 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.869 6.517 -3.019 1.00 0.40 H new ATOM 0 HB3 LYS A 28 17.124 5.038 -3.591 1.00 0.40 H new ATOM 0 HG2 LYS A 28 15.072 6.914 -3.824 1.00 0.49 H new ATOM 0 HG3 LYS A 28 16.504 7.827 -4.257 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.140 6.056 -5.888 1.00 0.56 H new ATOM 0 HD3 LYS A 28 15.709 5.142 -5.455 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.480 7.444 -6.056 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.929 7.707 -7.006 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 13.933 6.498 -8.063 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 15.493 5.894 -8.351 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 14.486 5.136 -7.214 1.00 1.70 H new ATOM 445 N LEU A 29 16.641 3.577 -1.057 1.00 0.31 N ATOM 446 CA LEU A 29 17.285 2.509 -0.308 1.00 0.28 C ATOM 447 C LEU A 29 18.240 1.720 -1.179 1.00 0.31 C ATOM 448 O LEU A 29 17.820 0.913 -2.006 1.00 0.33 O ATOM 449 CB LEU A 29 16.248 1.533 0.225 1.00 0.26 C ATOM 450 CG LEU A 29 15.279 2.086 1.246 1.00 0.26 C ATOM 451 CD1 LEU A 29 14.012 1.265 1.222 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.905 2.048 2.627 1.00 0.25 C ATOM 0 H LEU A 29 15.876 3.263 -1.653 1.00 0.31 H new ATOM 0 HA LEU A 29 17.830 2.982 0.508 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.675 1.146 -0.618 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.770 0.686 0.671 1.00 0.26 H new ATOM 0 HG LEU A 29 15.041 3.122 1.003 1.00 0.26 H new ATOM 0 HD11 LEU A 29 13.309 1.659 1.956 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.565 1.314 0.229 1.00 0.28 H new ATOM 0 HD13 LEU A 29 14.246 0.228 1.463 1.00 0.28 H new ATOM 0 HD21 LEU A 29 15.201 2.448 3.357 1.00 0.25 H new ATOM 0 HD22 LEU A 29 16.151 1.018 2.887 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.813 2.650 2.631 1.00 0.25 H new ATOM 464 N ASN A 30 19.512 1.913 -0.951 1.00 0.32 N ATOM 465 CA ASN A 30 20.534 1.095 -1.568 1.00 0.36 C ATOM 466 C ASN A 30 20.468 -0.289 -0.955 1.00 0.33 C ATOM 467 O ASN A 30 19.899 -0.441 0.120 1.00 0.30 O ATOM 468 CB ASN A 30 21.900 1.738 -1.346 1.00 0.42 C ATOM 469 CG ASN A 30 22.073 2.197 0.085 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.690 1.511 0.899 1.00 0.56 O ATOM 471 ND2 ASN A 30 21.475 3.338 0.411 1.00 0.43 N ATOM 0 H ASN A 30 19.873 2.640 -0.334 1.00 0.32 H new ATOM 0 HA ASN A 30 20.374 1.014 -2.643 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.684 1.024 -1.597 1.00 0.42 H new ATOM 0 HB3 ASN A 30 22.016 2.588 -2.018 1.00 0.42 H new ATOM 0 HD21 ASN A 30 21.516 3.679 1.371 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.975 3.873 -0.299 1.00 0.43 H new ATOM 478 N LYS A 31 21.026 -1.284 -1.629 1.00 0.35 N ATOM 479 CA LYS A 31 20.867 -2.681 -1.217 1.00 0.34 C ATOM 480 C LYS A 31 21.118 -2.881 0.273 1.00 0.31 C ATOM 481 O LYS A 31 20.412 -3.645 0.930 1.00 0.31 O ATOM 482 CB LYS A 31 21.821 -3.580 -1.985 1.00 0.41 C ATOM 483 CG LYS A 31 21.127 -4.624 -2.833 1.00 0.68 C ATOM 484 CD LYS A 31 22.138 -5.542 -3.491 1.00 0.71 C ATOM 485 CE LYS A 31 21.488 -6.427 -4.533 1.00 1.15 C ATOM 486 NZ LYS A 31 22.490 -7.276 -5.231 1.00 1.99 N ATOM 0 H LYS A 31 21.595 -1.155 -2.466 1.00 0.35 H new ATOM 0 HA LYS A 31 19.833 -2.946 -1.436 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.449 -2.963 -2.627 1.00 0.41 H new ATOM 0 HB3 LYS A 31 22.482 -4.081 -1.278 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.447 -5.209 -2.214 1.00 0.68 H new ATOM 0 HG3 LYS A 31 20.522 -4.135 -3.597 1.00 0.68 H new ATOM 0 HD2 LYS A 31 22.923 -4.946 -3.957 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.616 -6.162 -2.732 1.00 0.71 H new ATOM 0 HE2 LYS A 31 20.740 -7.062 -4.057 1.00 1.15 H new ATOM 0 HE3 LYS A 31 20.964 -5.808 -5.261 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 22.308 -7.258 -6.255 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.446 -6.911 -5.043 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 22.418 -8.254 -4.884 1.00 1.99 H new ATOM 500 N SER A 32 22.122 -2.192 0.792 1.00 0.34 N ATOM 501 CA SER A 32 22.485 -2.300 2.194 1.00 0.37 C ATOM 502 C SER A 32 21.303 -1.910 3.076 1.00 0.34 C ATOM 503 O SER A 32 20.874 -2.675 3.947 1.00 0.38 O ATOM 504 CB SER A 32 23.684 -1.394 2.480 1.00 0.45 C ATOM 505 OG SER A 32 24.722 -1.614 1.535 1.00 1.33 O ATOM 0 H SER A 32 22.704 -1.547 0.257 1.00 0.34 H new ATOM 0 HA SER A 32 22.755 -3.332 2.418 1.00 0.37 H new ATOM 0 HB2 SER A 32 23.372 -0.350 2.447 1.00 0.45 H new ATOM 0 HB3 SER A 32 24.057 -1.584 3.487 1.00 0.45 H new ATOM 0 HG SER A 32 25.478 -1.023 1.736 1.00 1.33 H new ATOM 511 N GLU A 33 20.760 -0.735 2.810 1.00 0.32 N ATOM 512 CA GLU A 33 19.652 -0.206 3.581 1.00 0.35 C ATOM 513 C GLU A 33 18.357 -0.928 3.222 1.00 0.30 C ATOM 514 O GLU A 33 17.489 -1.124 4.075 1.00 0.32 O ATOM 515 CB GLU A 33 19.526 1.293 3.324 1.00 0.45 C ATOM 516 CG GLU A 33 20.709 2.119 3.840 1.00 0.59 C ATOM 517 CD GLU A 33 21.678 1.331 4.708 1.00 1.50 C ATOM 518 OE1 GLU A 33 21.336 1.025 5.862 1.00 2.32 O ATOM 519 OE2 GLU A 33 22.790 1.015 4.240 1.00 2.15 O ATOM 0 H GLU A 33 21.074 -0.124 2.056 1.00 0.32 H new ATOM 0 HA GLU A 33 19.842 -0.369 4.642 1.00 0.35 H new ATOM 0 HB2 GLU A 33 19.421 1.459 2.252 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.612 1.655 3.794 1.00 0.45 H new ATOM 0 HG2 GLU A 33 21.251 2.531 2.989 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.327 2.964 4.413 1.00 0.59 H new ATOM 526 N LEU A 34 18.241 -1.317 1.955 1.00 0.30 N ATOM 527 CA LEU A 34 17.130 -2.125 1.479 1.00 0.33 C ATOM 528 C LEU A 34 17.011 -3.388 2.319 1.00 0.29 C ATOM 529 O LEU A 34 15.940 -3.705 2.831 1.00 0.30 O ATOM 530 CB LEU A 34 17.356 -2.491 0.007 1.00 0.50 C ATOM 531 CG LEU A 34 16.258 -3.337 -0.643 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.987 -2.520 -0.775 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.709 -3.869 -2.004 1.00 0.55 C ATOM 0 H LEU A 34 18.918 -1.078 1.231 1.00 0.30 H new ATOM 0 HA LEU A 34 16.205 -1.555 1.568 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.465 -1.569 -0.565 1.00 0.50 H new ATOM 0 HB3 LEU A 34 18.300 -3.030 -0.073 1.00 0.50 H new ATOM 0 HG LEU A 34 16.057 -4.197 -0.004 1.00 0.51 H new ATOM 0 HD11 LEU A 34 14.210 -3.128 -1.238 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.656 -2.200 0.213 1.00 1.01 H new ATOM 0 HD13 LEU A 34 15.180 -1.644 -1.395 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.911 -4.467 -2.444 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.941 -3.032 -2.663 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.597 -4.488 -1.877 1.00 0.55 H new ATOM 545 N LYS A 35 18.131 -4.091 2.464 1.00 0.29 N ATOM 546 CA LYS A 35 18.190 -5.297 3.280 1.00 0.29 C ATOM 547 C LYS A 35 17.676 -5.049 4.688 1.00 0.29 C ATOM 548 O LYS A 35 16.774 -5.741 5.157 1.00 0.31 O ATOM 549 CB LYS A 35 19.616 -5.830 3.373 1.00 0.32 C ATOM 550 CG LYS A 35 20.054 -6.630 2.163 1.00 0.39 C ATOM 551 CD LYS A 35 21.483 -7.119 2.311 1.00 0.52 C ATOM 552 CE LYS A 35 21.787 -8.250 1.343 1.00 0.70 C ATOM 553 NZ LYS A 35 23.183 -8.742 1.492 1.00 1.29 N ATOM 0 H LYS A 35 19.016 -3.842 2.022 1.00 0.29 H new ATOM 0 HA LYS A 35 17.552 -6.032 2.789 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.299 -4.991 3.508 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.702 -6.457 4.261 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.388 -7.482 2.028 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.969 -6.014 1.268 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.172 -6.293 2.135 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.648 -7.459 3.333 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.091 -9.072 1.514 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.630 -7.906 0.321 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 23.375 -9.466 0.770 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 23.845 -7.949 1.372 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.306 -9.155 2.438 1.00 1.29 H new ATOM 567 N GLU A 36 18.252 -4.062 5.358 1.00 0.29 N ATOM 568 CA GLU A 36 17.928 -3.818 6.753 1.00 0.32 C ATOM 569 C GLU A 36 16.489 -3.396 6.919 1.00 0.31 C ATOM 570 O GLU A 36 15.825 -3.823 7.851 1.00 0.39 O ATOM 571 CB GLU A 36 18.844 -2.769 7.354 1.00 0.36 C ATOM 572 CG GLU A 36 20.298 -3.081 7.126 1.00 0.37 C ATOM 573 CD GLU A 36 21.202 -2.331 8.073 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.546 -1.173 7.780 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.559 -2.894 9.127 1.00 1.31 O ATOM 0 H GLU A 36 18.940 -3.422 4.961 1.00 0.29 H new ATOM 0 HA GLU A 36 18.076 -4.758 7.284 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.611 -1.796 6.921 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.654 -2.695 8.425 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.460 -4.152 7.245 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.564 -2.831 6.099 1.00 0.37 H new ATOM 582 N LEU A 37 16.009 -2.550 6.028 1.00 0.27 N ATOM 583 CA LEU A 37 14.619 -2.152 6.071 1.00 0.26 C ATOM 584 C LEU A 37 13.731 -3.371 5.862 1.00 0.27 C ATOM 585 O LEU A 37 12.788 -3.595 6.601 1.00 0.31 O ATOM 586 CB LEU A 37 14.331 -1.090 5.004 1.00 0.24 C ATOM 587 CG LEU A 37 12.995 -0.357 5.149 1.00 0.31 C ATOM 588 CD1 LEU A 37 13.023 0.953 4.394 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.849 -1.217 4.642 1.00 0.50 C ATOM 0 H LEU A 37 16.555 -2.130 5.275 1.00 0.27 H new ATOM 0 HA LEU A 37 14.404 -1.719 7.048 1.00 0.26 H new ATOM 0 HB2 LEU A 37 15.134 -0.353 5.023 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.360 -1.567 4.024 1.00 0.24 H new ATOM 0 HG LEU A 37 12.838 -0.153 6.208 1.00 0.31 H new ATOM 0 HD11 LEU A 37 12.065 1.460 4.509 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.817 1.585 4.791 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.207 0.760 3.337 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.910 -0.675 4.755 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.008 -1.452 3.589 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.806 -2.142 5.217 1.00 0.50 H new ATOM 601 N LEU A 38 14.052 -4.164 4.865 1.00 0.27 N ATOM 602 CA LEU A 38 13.251 -5.330 4.542 1.00 0.29 C ATOM 603 C LEU A 38 13.216 -6.331 5.691 1.00 0.31 C ATOM 604 O LEU A 38 12.176 -6.896 5.998 1.00 0.40 O ATOM 605 CB LEU A 38 13.791 -5.986 3.280 1.00 0.32 C ATOM 606 CG LEU A 38 12.958 -5.748 2.028 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.587 -6.373 2.196 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.830 -4.262 1.734 1.00 0.43 C ATOM 0 H LEU A 38 14.862 -4.025 4.261 1.00 0.27 H new ATOM 0 HA LEU A 38 12.226 -5.000 4.372 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.802 -5.620 3.101 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.867 -7.060 3.450 1.00 0.32 H new ATOM 0 HG LEU A 38 13.463 -6.215 1.182 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.995 -6.199 1.297 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.694 -7.445 2.359 1.00 0.31 H new ATOM 0 HD13 LEU A 38 11.085 -5.924 3.053 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.231 -4.119 0.835 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.347 -3.765 2.575 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.821 -3.835 1.581 1.00 0.43 H new ATOM 620 N THR A 39 14.354 -6.552 6.311 1.00 0.32 N ATOM 621 CA THR A 39 14.445 -7.465 7.442 1.00 0.33 C ATOM 622 C THR A 39 13.789 -6.901 8.708 1.00 0.34 C ATOM 623 O THR A 39 13.105 -7.615 9.441 1.00 0.38 O ATOM 624 CB THR A 39 15.916 -7.786 7.749 1.00 0.33 C ATOM 625 OG1 THR A 39 16.642 -6.576 7.995 1.00 0.32 O ATOM 626 CG2 THR A 39 16.563 -8.519 6.587 1.00 0.35 C ATOM 0 H THR A 39 15.237 -6.112 6.053 1.00 0.32 H new ATOM 0 HA THR A 39 13.908 -8.369 7.156 1.00 0.33 H new ATOM 0 HB THR A 39 15.943 -8.423 8.633 1.00 0.33 H new ATOM 0 HG1 THR A 39 17.578 -6.790 8.191 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.604 -8.735 6.828 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.031 -9.453 6.404 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.519 -7.896 5.694 1.00 0.35 H new ATOM 634 N ARG A 40 14.006 -5.621 8.949 1.00 0.34 N ATOM 635 CA ARG A 40 13.622 -4.978 10.204 1.00 0.37 C ATOM 636 C ARG A 40 12.234 -4.357 10.150 1.00 0.40 C ATOM 637 O ARG A 40 11.521 -4.344 11.152 1.00 0.47 O ATOM 638 CB ARG A 40 14.673 -3.925 10.549 1.00 0.37 C ATOM 639 CG ARG A 40 15.913 -4.509 11.203 1.00 0.63 C ATOM 640 CD ARG A 40 17.071 -3.530 11.166 1.00 0.56 C ATOM 641 NE ARG A 40 18.291 -4.093 11.742 1.00 1.16 N ATOM 642 CZ ARG A 40 19.167 -4.834 11.060 1.00 1.51 C ATOM 643 NH1 ARG A 40 18.898 -5.214 9.816 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.294 -5.225 11.638 1.00 2.31 N ATOM 0 H ARG A 40 14.454 -4.992 8.282 1.00 0.34 H new ATOM 0 HA ARG A 40 13.577 -5.742 10.980 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.963 -3.399 9.639 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.232 -3.186 11.217 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.691 -4.773 12.237 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.196 -5.430 10.693 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.262 -3.235 10.134 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.798 -2.626 11.711 1.00 0.56 H new ATOM 0 HE ARG A 40 18.485 -3.908 12.726 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.019 -4.940 9.378 1.00 1.62 H new ATOM 0 HH12 ARG A 40 19.571 -5.780 9.299 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.491 -4.960 12.603 1.00 2.31 H new ATOM 0 HH22 ARG A 40 20.964 -5.791 11.118 1.00 2.31 H new ATOM 658 N GLU A 41 11.854 -3.842 8.999 1.00 0.40 N ATOM 659 CA GLU A 41 10.573 -3.178 8.853 1.00 0.46 C ATOM 660 C GLU A 41 9.580 -4.092 8.155 1.00 0.54 C ATOM 661 O GLU A 41 8.395 -3.798 8.104 1.00 0.85 O ATOM 662 CB GLU A 41 10.727 -1.892 8.043 1.00 0.52 C ATOM 663 CG GLU A 41 11.988 -1.089 8.345 1.00 0.53 C ATOM 664 CD GLU A 41 12.161 -0.734 9.803 1.00 0.51 C ATOM 665 OE1 GLU A 41 11.605 0.288 10.256 1.00 1.02 O ATOM 666 OE2 GLU A 41 12.873 -1.464 10.513 1.00 1.30 O ATOM 0 H GLU A 41 12.415 -3.870 8.148 1.00 0.40 H new ATOM 0 HA GLU A 41 10.203 -2.934 9.849 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.720 -2.145 6.983 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.859 -1.259 8.225 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.856 -1.660 8.016 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.970 -0.170 7.759 1.00 0.53 H new ATOM 673 N LEU A 42 10.076 -5.180 7.589 1.00 0.40 N ATOM 674 CA LEU A 42 9.206 -6.192 7.004 1.00 0.41 C ATOM 675 C LEU A 42 9.595 -7.611 7.458 1.00 0.37 C ATOM 676 O LEU A 42 9.836 -8.495 6.626 1.00 0.36 O ATOM 677 CB LEU A 42 9.221 -6.073 5.477 1.00 0.44 C ATOM 678 CG LEU A 42 8.391 -4.913 4.914 1.00 0.50 C ATOM 679 CD1 LEU A 42 9.111 -4.247 3.761 1.00 0.65 C ATOM 680 CD2 LEU A 42 7.037 -5.411 4.444 1.00 0.74 C ATOM 0 H LEU A 42 11.073 -5.386 7.521 1.00 0.40 H new ATOM 0 HA LEU A 42 8.191 -6.016 7.359 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.253 -5.957 5.146 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.852 -7.006 5.050 1.00 0.44 H new ATOM 0 HG LEU A 42 8.250 -4.183 5.711 1.00 0.50 H new ATOM 0 HD11 LEU A 42 8.504 -3.427 3.378 1.00 0.65 H new ATOM 0 HD12 LEU A 42 10.069 -3.858 4.106 1.00 0.65 H new ATOM 0 HD13 LEU A 42 9.280 -4.975 2.968 1.00 0.65 H new ATOM 0 HD21 LEU A 42 6.460 -4.576 4.047 1.00 0.74 H new ATOM 0 HD22 LEU A 42 7.175 -6.160 3.664 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.502 -5.856 5.283 1.00 0.74 H new ATOM 692 N PRO A 43 9.655 -7.849 8.795 1.00 0.40 N ATOM 693 CA PRO A 43 9.974 -9.161 9.372 1.00 0.44 C ATOM 694 C PRO A 43 9.125 -10.302 8.840 1.00 0.45 C ATOM 695 O PRO A 43 9.595 -11.430 8.748 1.00 0.49 O ATOM 696 CB PRO A 43 9.655 -8.985 10.846 1.00 0.51 C ATOM 697 CG PRO A 43 9.882 -7.546 11.108 1.00 0.48 C ATOM 698 CD PRO A 43 9.452 -6.840 9.858 1.00 0.44 C ATOM 0 HA PRO A 43 11.003 -9.430 9.135 1.00 0.44 H new ATOM 0 HB2 PRO A 43 8.626 -9.270 11.066 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.298 -9.607 11.468 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.305 -7.208 11.968 1.00 0.48 H new ATOM 0 HG3 PRO A 43 10.931 -7.348 11.330 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.411 -6.523 9.915 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.048 -5.945 9.679 1.00 0.44 H new ATOM 706 N SER A 44 7.870 -10.030 8.534 1.00 0.45 N ATOM 707 CA SER A 44 6.984 -11.075 8.057 1.00 0.47 C ATOM 708 C SER A 44 7.296 -11.375 6.611 1.00 0.44 C ATOM 709 O SER A 44 7.548 -12.532 6.238 1.00 0.45 O ATOM 710 CB SER A 44 5.527 -10.652 8.205 1.00 0.51 C ATOM 711 OG SER A 44 4.632 -11.681 7.809 1.00 0.59 O ATOM 0 H SER A 44 7.445 -9.106 8.606 1.00 0.45 H new ATOM 0 HA SER A 44 7.139 -11.973 8.655 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.332 -10.381 9.243 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.345 -9.762 7.603 1.00 0.51 H new ATOM 0 HG SER A 44 3.709 -11.372 7.920 1.00 0.59 H new ATOM 717 N PHE A 45 7.312 -10.311 5.813 1.00 0.42 N ATOM 718 CA PHE A 45 7.543 -10.431 4.378 1.00 0.41 C ATOM 719 C PHE A 45 8.753 -11.303 4.092 1.00 0.42 C ATOM 720 O PHE A 45 8.641 -12.354 3.461 1.00 0.46 O ATOM 721 CB PHE A 45 7.740 -9.068 3.713 1.00 0.45 C ATOM 722 CG PHE A 45 7.699 -9.174 2.214 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.490 -9.307 1.552 1.00 1.81 C ATOM 724 CD2 PHE A 45 8.867 -9.178 1.469 1.00 1.83 C ATOM 725 CE1 PHE A 45 6.444 -9.436 0.177 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.829 -9.314 0.095 1.00 2.38 C ATOM 727 CZ PHE A 45 7.616 -9.441 -0.552 1.00 2.41 C ATOM 0 H PHE A 45 7.167 -9.355 6.137 1.00 0.42 H new ATOM 0 HA PHE A 45 6.651 -10.895 3.958 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.964 -8.382 4.051 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.696 -8.646 4.023 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.570 -9.310 2.118 1.00 1.81 H new ATOM 0 HD2 PHE A 45 9.819 -9.074 1.969 1.00 1.83 H new ATOM 0 HE1 PHE A 45 5.493 -9.533 -0.326 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.748 -9.321 -0.473 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.584 -9.544 -1.627 1.00 2.41 H new ATOM 737 N LEU A 46 9.909 -10.871 4.561 1.00 0.45 N ATOM 738 CA LEU A 46 11.131 -11.608 4.288 1.00 0.57 C ATOM 739 C LEU A 46 11.458 -12.611 5.373 1.00 0.65 C ATOM 740 O LEU A 46 12.389 -13.395 5.224 1.00 0.66 O ATOM 741 CB LEU A 46 12.308 -10.683 4.060 1.00 0.67 C ATOM 742 CG LEU A 46 12.325 -9.983 2.710 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.672 -9.337 2.505 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.012 -10.954 1.572 1.00 0.55 C ATOM 0 H LEU A 46 10.029 -10.028 5.123 1.00 0.45 H new ATOM 0 HA LEU A 46 10.945 -12.163 3.368 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.313 -9.926 4.845 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.228 -11.258 4.166 1.00 0.67 H new ATOM 0 HG LEU A 46 11.548 -9.218 2.702 1.00 0.57 H new ATOM 0 HD11 LEU A 46 13.691 -8.833 1.539 1.00 0.71 H new ATOM 0 HD12 LEU A 46 13.851 -8.610 3.297 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.449 -10.101 2.531 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.033 -10.420 0.622 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.757 -11.750 1.557 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.023 -11.386 1.724 1.00 0.55 H new ATOM 756 N GLY A 47 10.706 -12.600 6.457 1.00 0.74 N ATOM 757 CA GLY A 47 10.855 -13.652 7.443 1.00 0.90 C ATOM 758 C GLY A 47 10.581 -14.990 6.808 1.00 0.89 C ATOM 759 O GLY A 47 11.086 -16.029 7.240 1.00 0.99 O ATOM 0 H GLY A 47 10.003 -11.894 6.674 1.00 0.74 H new ATOM 0 HA2 GLY A 47 11.863 -13.635 7.856 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.168 -13.485 8.272 1.00 0.90 H new ATOM 763 N LYS A 48 9.772 -14.942 5.761 1.00 0.79 N ATOM 764 CA LYS A 48 9.514 -16.101 4.934 1.00 0.82 C ATOM 765 C LYS A 48 10.713 -16.498 4.078 1.00 0.78 C ATOM 766 O LYS A 48 10.923 -17.686 3.828 1.00 0.87 O ATOM 767 CB LYS A 48 8.344 -15.824 4.015 1.00 0.82 C ATOM 768 CG LYS A 48 6.992 -15.954 4.692 1.00 1.08 C ATOM 769 CD LYS A 48 5.856 -15.650 3.730 1.00 1.51 C ATOM 770 CE LYS A 48 5.833 -14.183 3.326 1.00 2.27 C ATOM 771 NZ LYS A 48 4.720 -13.883 2.388 1.00 3.17 N ATOM 0 H LYS A 48 9.279 -14.099 5.465 1.00 0.79 H new ATOM 0 HA LYS A 48 9.297 -16.925 5.613 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.442 -14.817 3.610 1.00 0.82 H new ATOM 0 HB3 LYS A 48 8.385 -16.512 3.171 1.00 0.82 H new ATOM 0 HG2 LYS A 48 6.877 -16.964 5.085 1.00 1.08 H new ATOM 0 HG3 LYS A 48 6.943 -15.273 5.542 1.00 1.08 H new ATOM 0 HD2 LYS A 48 5.958 -16.270 2.840 1.00 1.51 H new ATOM 0 HD3 LYS A 48 4.906 -15.914 4.195 1.00 1.51 H new ATOM 0 HE2 LYS A 48 5.734 -13.563 4.217 1.00 2.27 H new ATOM 0 HE3 LYS A 48 6.782 -13.920 2.859 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 4.740 -12.874 2.137 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 4.828 -14.456 1.527 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 3.812 -14.109 2.843 1.00 3.17 H new ATOM 785 N ARG A 49 11.501 -15.525 3.633 1.00 0.73 N ATOM 786 CA ARG A 49 12.558 -15.813 2.671 1.00 0.81 C ATOM 787 C ARG A 49 13.576 -14.681 2.581 1.00 0.74 C ATOM 788 O ARG A 49 13.499 -13.818 1.708 1.00 1.00 O ATOM 789 CB ARG A 49 11.940 -16.110 1.296 1.00 0.95 C ATOM 790 CG ARG A 49 12.908 -16.739 0.306 1.00 1.17 C ATOM 791 CD ARG A 49 13.445 -15.719 -0.681 1.00 1.02 C ATOM 792 NE ARG A 49 14.468 -16.287 -1.558 1.00 1.61 N ATOM 793 CZ ARG A 49 14.447 -16.201 -2.889 1.00 1.87 C ATOM 794 NH1 ARG A 49 13.430 -15.610 -3.505 1.00 2.14 N ATOM 795 NH2 ARG A 49 15.437 -16.717 -3.607 1.00 2.50 N ATOM 0 H ARG A 49 11.431 -14.548 3.917 1.00 0.73 H new ATOM 0 HA ARG A 49 13.100 -16.693 3.018 1.00 0.81 H new ATOM 0 HB2 ARG A 49 11.088 -16.776 1.428 1.00 0.95 H new ATOM 0 HB3 ARG A 49 11.556 -15.182 0.873 1.00 0.95 H new ATOM 0 HG2 ARG A 49 13.738 -17.193 0.847 1.00 1.17 H new ATOM 0 HG3 ARG A 49 12.405 -17.540 -0.236 1.00 1.17 H new ATOM 0 HD2 ARG A 49 12.624 -15.333 -1.285 1.00 1.02 H new ATOM 0 HD3 ARG A 49 13.864 -14.874 -0.136 1.00 1.02 H new ATOM 0 HE ARG A 49 15.248 -16.781 -1.124 1.00 1.61 H new ATOM 0 HH11 ARG A 49 12.661 -15.220 -2.960 1.00 2.14 H new ATOM 0 HH12 ARG A 49 13.418 -15.546 -4.523 1.00 2.14 H new ATOM 0 HH21 ARG A 49 16.217 -17.181 -3.141 1.00 2.50 H new ATOM 0 HH22 ARG A 49 15.418 -16.650 -4.625 1.00 2.50 H new ATOM 809 N THR A 50 14.522 -14.685 3.503 1.00 0.76 N ATOM 810 CA THR A 50 15.658 -13.769 3.433 1.00 0.73 C ATOM 811 C THR A 50 16.863 -14.425 2.764 1.00 0.82 C ATOM 812 O THR A 50 17.559 -15.244 3.371 1.00 1.33 O ATOM 813 CB THR A 50 16.095 -13.245 4.816 1.00 0.74 C ATOM 814 OG1 THR A 50 16.175 -14.323 5.761 1.00 0.84 O ATOM 815 CG2 THR A 50 15.143 -12.182 5.328 1.00 0.63 C ATOM 0 H THR A 50 14.531 -15.309 4.310 1.00 0.76 H new ATOM 0 HA THR A 50 15.311 -12.925 2.837 1.00 0.73 H new ATOM 0 HB THR A 50 17.082 -12.796 4.702 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.663 -15.073 5.361 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.478 -11.833 6.305 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.123 -11.345 4.630 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.142 -12.603 5.418 1.00 0.63 H new ATOM 823 N ASP A 51 17.093 -14.073 1.511 1.00 0.57 N ATOM 824 CA ASP A 51 18.282 -14.507 0.789 1.00 0.62 C ATOM 825 C ASP A 51 18.927 -13.302 0.131 1.00 0.58 C ATOM 826 O ASP A 51 18.230 -12.356 -0.226 1.00 0.55 O ATOM 827 CB ASP A 51 17.944 -15.549 -0.289 1.00 0.69 C ATOM 828 CG ASP A 51 17.524 -16.892 0.276 1.00 1.26 C ATOM 829 OD1 ASP A 51 18.381 -17.592 0.851 1.00 1.78 O ATOM 830 OD2 ASP A 51 16.339 -17.261 0.136 1.00 2.01 O ATOM 0 H ASP A 51 16.466 -13.482 0.966 1.00 0.57 H new ATOM 0 HA ASP A 51 18.964 -14.969 1.503 1.00 0.62 H new ATOM 0 HB2 ASP A 51 17.142 -15.162 -0.918 1.00 0.69 H new ATOM 0 HB3 ASP A 51 18.813 -15.690 -0.931 1.00 0.69 H new ATOM 835 N GLU A 52 20.241 -13.323 -0.035 1.00 0.67 N ATOM 836 CA GLU A 52 20.926 -12.241 -0.737 1.00 0.71 C ATOM 837 C GLU A 52 20.422 -12.158 -2.163 1.00 0.67 C ATOM 838 O GLU A 52 20.279 -11.072 -2.727 1.00 0.63 O ATOM 839 CB GLU A 52 22.436 -12.443 -0.725 1.00 0.87 C ATOM 840 CG GLU A 52 23.023 -12.394 0.665 1.00 0.95 C ATOM 841 CD GLU A 52 24.534 -12.440 0.671 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.164 -11.376 0.512 1.00 1.81 O ATOM 843 OE2 GLU A 52 25.100 -13.539 0.849 1.00 1.91 O ATOM 0 H GLU A 52 20.851 -14.068 0.302 1.00 0.67 H new ATOM 0 HA GLU A 52 20.710 -11.306 -0.220 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.673 -13.405 -1.180 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.905 -11.675 -1.340 1.00 0.87 H new ATOM 0 HG2 GLU A 52 22.691 -11.482 1.162 1.00 0.95 H new ATOM 0 HG3 GLU A 52 22.637 -13.232 1.246 1.00 0.95 H new ATOM 850 N ALA A 53 20.142 -13.318 -2.730 1.00 0.71 N ATOM 851 CA ALA A 53 19.526 -13.401 -4.043 1.00 0.76 C ATOM 852 C ALA A 53 18.124 -12.800 -4.008 1.00 0.66 C ATOM 853 O ALA A 53 17.705 -12.117 -4.940 1.00 0.69 O ATOM 854 CB ALA A 53 19.476 -14.844 -4.514 1.00 0.91 C ATOM 0 H ALA A 53 20.333 -14.222 -2.298 1.00 0.71 H new ATOM 0 HA ALA A 53 20.130 -12.830 -4.748 1.00 0.76 H new ATOM 0 HB1 ALA A 53 19.012 -14.889 -5.499 1.00 0.91 H new ATOM 0 HB2 ALA A 53 20.489 -15.243 -4.571 1.00 0.91 H new ATOM 0 HB3 ALA A 53 18.892 -15.436 -3.810 1.00 0.91 H new ATOM 860 N ALA A 54 17.413 -13.039 -2.911 1.00 0.60 N ATOM 861 CA ALA A 54 16.072 -12.500 -2.734 1.00 0.59 C ATOM 862 C ALA A 54 16.111 -10.983 -2.682 1.00 0.48 C ATOM 863 O ALA A 54 15.280 -10.323 -3.283 1.00 0.46 O ATOM 864 CB ALA A 54 15.431 -13.048 -1.472 1.00 0.64 C ATOM 0 H ALA A 54 17.746 -13.604 -2.130 1.00 0.60 H new ATOM 0 HA ALA A 54 15.470 -12.808 -3.589 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.430 -12.631 -1.362 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.366 -14.134 -1.539 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.036 -12.773 -0.608 1.00 0.64 H new ATOM 870 N PHE A 55 17.080 -10.441 -1.952 1.00 0.46 N ATOM 871 CA PHE A 55 17.281 -8.997 -1.894 1.00 0.42 C ATOM 872 C PHE A 55 17.631 -8.442 -3.267 1.00 0.44 C ATOM 873 O PHE A 55 17.127 -7.402 -3.671 1.00 0.45 O ATOM 874 CB PHE A 55 18.388 -8.650 -0.906 1.00 0.44 C ATOM 875 CG PHE A 55 17.996 -8.838 0.532 1.00 1.06 C ATOM 876 CD1 PHE A 55 17.071 -7.997 1.126 1.00 1.87 C ATOM 877 CD2 PHE A 55 18.552 -9.856 1.289 1.00 1.98 C ATOM 878 CE1 PHE A 55 16.711 -8.169 2.449 1.00 2.70 C ATOM 879 CE2 PHE A 55 18.195 -10.033 2.610 1.00 2.77 C ATOM 880 CZ PHE A 55 17.273 -9.189 3.191 1.00 2.95 C ATOM 0 H PHE A 55 17.740 -10.981 -1.391 1.00 0.46 H new ATOM 0 HA PHE A 55 16.348 -8.544 -1.559 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.260 -9.268 -1.119 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.687 -7.613 -1.059 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.626 -7.199 0.550 1.00 1.87 H new ATOM 0 HD2 PHE A 55 19.275 -10.520 0.839 1.00 1.98 H new ATOM 0 HE1 PHE A 55 15.990 -7.505 2.903 1.00 2.70 H new ATOM 0 HE2 PHE A 55 18.637 -10.831 3.188 1.00 2.77 H new ATOM 0 HZ PHE A 55 16.991 -9.325 4.225 1.00 2.95 H new ATOM 890 N GLN A 56 18.511 -9.143 -3.965 1.00 0.49 N ATOM 891 CA GLN A 56 18.893 -8.788 -5.327 1.00 0.54 C ATOM 892 C GLN A 56 17.671 -8.726 -6.242 1.00 0.53 C ATOM 893 O GLN A 56 17.462 -7.732 -6.943 1.00 0.57 O ATOM 894 CB GLN A 56 19.903 -9.817 -5.839 1.00 0.62 C ATOM 895 CG GLN A 56 20.153 -9.777 -7.337 1.00 0.76 C ATOM 896 CD GLN A 56 20.797 -8.491 -7.810 1.00 0.98 C ATOM 897 OE1 GLN A 56 22.018 -8.359 -7.805 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.983 -7.540 -8.232 1.00 0.87 N ATOM 0 H GLN A 56 18.981 -9.974 -3.606 1.00 0.49 H new ATOM 0 HA GLN A 56 19.348 -7.797 -5.327 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.851 -9.662 -5.323 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.553 -10.814 -5.570 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.792 -10.616 -7.613 1.00 0.76 H new ATOM 0 HG3 GLN A 56 19.206 -9.912 -7.859 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.974 -7.690 -8.220 1.00 0.87 H new ATOM 0 HE22 GLN A 56 20.363 -6.656 -8.570 1.00 0.87 H new ATOM 907 N LYS A 57 16.869 -9.780 -6.229 1.00 0.51 N ATOM 908 CA LYS A 57 15.672 -9.828 -7.053 1.00 0.52 C ATOM 909 C LYS A 57 14.655 -8.791 -6.595 1.00 0.48 C ATOM 910 O LYS A 57 14.077 -8.082 -7.414 1.00 0.48 O ATOM 911 CB LYS A 57 15.053 -11.230 -7.041 1.00 0.55 C ATOM 912 CG LYS A 57 15.393 -12.052 -8.277 1.00 0.76 C ATOM 913 CD LYS A 57 16.881 -12.359 -8.375 1.00 1.01 C ATOM 914 CE LYS A 57 17.268 -13.575 -7.543 1.00 0.87 C ATOM 915 NZ LYS A 57 16.628 -14.821 -8.042 1.00 1.60 N ATOM 0 H LYS A 57 17.025 -10.611 -5.659 1.00 0.51 H new ATOM 0 HA LYS A 57 15.963 -9.593 -8.077 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.396 -11.763 -6.154 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.970 -11.140 -6.960 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.832 -12.986 -8.255 1.00 0.76 H new ATOM 0 HG3 LYS A 57 15.076 -11.511 -9.169 1.00 0.76 H new ATOM 0 HD2 LYS A 57 17.148 -12.533 -9.417 1.00 1.01 H new ATOM 0 HD3 LYS A 57 17.453 -11.494 -8.040 1.00 1.01 H new ATOM 0 HE2 LYS A 57 18.351 -13.694 -7.557 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.979 -13.410 -6.505 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 17.184 -15.644 -7.734 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 15.663 -14.892 -7.661 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 16.589 -14.799 -9.081 1.00 1.60 H new ATOM 929 N LEU A 58 14.461 -8.692 -5.283 1.00 0.46 N ATOM 930 CA LEU A 58 13.518 -7.744 -4.706 1.00 0.43 C ATOM 931 C LEU A 58 13.886 -6.329 -5.091 1.00 0.43 C ATOM 932 O LEU A 58 13.023 -5.531 -5.444 1.00 0.42 O ATOM 933 CB LEU A 58 13.496 -7.853 -3.187 1.00 0.43 C ATOM 934 CG LEU A 58 12.296 -7.195 -2.518 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.999 -7.793 -3.039 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.389 -7.352 -1.016 1.00 0.41 C ATOM 0 H LEU A 58 14.951 -9.264 -4.595 1.00 0.46 H new ATOM 0 HA LEU A 58 12.529 -7.985 -5.097 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.515 -8.908 -2.912 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.407 -7.404 -2.791 1.00 0.43 H new ATOM 0 HG LEU A 58 12.300 -6.132 -2.759 1.00 0.39 H new ATOM 0 HD11 LEU A 58 10.153 -7.310 -2.549 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.933 -7.636 -4.116 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.980 -8.862 -2.826 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.527 -6.878 -0.547 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.404 -8.412 -0.761 1.00 0.41 H new ATOM 0 HD23 LEU A 58 13.303 -6.879 -0.657 1.00 0.41 H new ATOM 948 N MET A 59 15.172 -6.030 -5.007 1.00 0.46 N ATOM 949 CA MET A 59 15.690 -4.749 -5.443 1.00 0.48 C ATOM 950 C MET A 59 15.219 -4.468 -6.854 1.00 0.48 C ATOM 951 O MET A 59 14.495 -3.519 -7.085 1.00 0.49 O ATOM 952 CB MET A 59 17.215 -4.739 -5.386 1.00 0.54 C ATOM 953 CG MET A 59 17.826 -3.460 -5.915 1.00 0.57 C ATOM 954 SD MET A 59 19.625 -3.453 -5.834 1.00 1.64 S ATOM 955 CE MET A 59 20.012 -4.644 -7.107 1.00 2.39 C ATOM 0 H MET A 59 15.880 -6.665 -4.637 1.00 0.46 H new ATOM 0 HA MET A 59 15.318 -3.971 -4.776 1.00 0.48 H new ATOM 0 HB2 MET A 59 17.534 -4.886 -4.354 1.00 0.54 H new ATOM 0 HB3 MET A 59 17.599 -5.582 -5.961 1.00 0.54 H new ATOM 0 HG2 MET A 59 17.514 -3.316 -6.949 1.00 0.57 H new ATOM 0 HG3 MET A 59 17.439 -2.616 -5.344 1.00 0.57 H new ATOM 0 HE1 MET A 59 21.081 -4.614 -7.320 1.00 2.39 H new ATOM 0 HE2 MET A 59 19.737 -5.642 -6.767 1.00 2.39 H new ATOM 0 HE3 MET A 59 19.455 -4.403 -8.012 1.00 2.39 H new ATOM 965 N SER A 60 15.574 -5.351 -7.768 1.00 0.50 N ATOM 966 CA SER A 60 15.207 -5.205 -9.171 1.00 0.53 C ATOM 967 C SER A 60 13.682 -5.144 -9.347 1.00 0.52 C ATOM 968 O SER A 60 13.186 -4.631 -10.341 1.00 0.56 O ATOM 969 CB SER A 60 15.805 -6.350 -9.994 1.00 0.56 C ATOM 970 OG SER A 60 15.522 -6.205 -11.375 1.00 1.35 O ATOM 0 H SER A 60 16.122 -6.187 -7.564 1.00 0.50 H new ATOM 0 HA SER A 60 15.616 -4.262 -9.534 1.00 0.53 H new ATOM 0 HB2 SER A 60 16.884 -6.381 -9.845 1.00 0.56 H new ATOM 0 HB3 SER A 60 15.407 -7.300 -9.639 1.00 0.56 H new ATOM 0 HG SER A 60 15.919 -6.951 -11.870 1.00 1.35 H new ATOM 976 N ASN A 61 12.941 -5.686 -8.389 1.00 0.49 N ATOM 977 CA ASN A 61 11.481 -5.665 -8.454 1.00 0.51 C ATOM 978 C ASN A 61 10.935 -4.267 -8.195 1.00 0.50 C ATOM 979 O ASN A 61 10.042 -3.788 -8.897 1.00 0.57 O ATOM 980 CB ASN A 61 10.857 -6.625 -7.429 1.00 0.49 C ATOM 981 CG ASN A 61 11.099 -8.089 -7.739 1.00 0.58 C ATOM 982 OD1 ASN A 61 11.232 -8.477 -8.899 1.00 0.80 O ATOM 983 ND2 ASN A 61 11.152 -8.920 -6.704 1.00 0.58 N ATOM 0 H ASN A 61 13.322 -6.144 -7.561 1.00 0.49 H new ATOM 0 HA ASN A 61 11.213 -5.984 -9.461 1.00 0.51 H new ATOM 0 HB2 ASN A 61 11.260 -6.400 -6.442 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.783 -6.445 -7.383 1.00 0.49 H new ATOM 0 HD21 ASN A 61 11.307 -9.916 -6.857 1.00 0.58 H new ATOM 0 HD22 ASN A 61 11.037 -8.562 -5.756 1.00 0.58 H new ATOM 990 N LEU A 62 11.470 -3.628 -7.171 1.00 0.44 N ATOM 991 CA LEU A 62 10.965 -2.341 -6.712 1.00 0.44 C ATOM 992 C LEU A 62 11.721 -1.220 -7.395 1.00 0.49 C ATOM 993 O LEU A 62 11.131 -0.275 -7.911 1.00 0.55 O ATOM 994 CB LEU A 62 11.147 -2.233 -5.200 1.00 0.38 C ATOM 995 CG LEU A 62 11.057 -3.562 -4.447 1.00 0.35 C ATOM 996 CD1 LEU A 62 11.326 -3.364 -2.966 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.710 -4.233 -4.683 1.00 0.35 C ATOM 0 H LEU A 62 12.262 -3.981 -6.635 1.00 0.44 H new ATOM 0 HA LEU A 62 9.906 -2.261 -6.958 1.00 0.44 H new ATOM 0 HB2 LEU A 62 12.118 -1.781 -4.996 1.00 0.38 H new ATOM 0 HB3 LEU A 62 10.390 -1.555 -4.804 1.00 0.38 H new ATOM 0 HG LEU A 62 11.828 -4.226 -4.838 1.00 0.35 H new ATOM 0 HD11 LEU A 62 11.256 -4.323 -2.452 1.00 0.31 H new ATOM 0 HD12 LEU A 62 12.326 -2.951 -2.830 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.590 -2.676 -2.551 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.672 -5.175 -4.137 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.911 -3.579 -4.333 1.00 0.35 H new ATOM 0 HD23 LEU A 62 9.581 -4.426 -5.748 1.00 0.35 H new ATOM 1009 N ASP A 63 13.036 -1.365 -7.380 1.00 0.48 N ATOM 1010 CA ASP A 63 13.967 -0.451 -8.027 1.00 0.54 C ATOM 1011 C ASP A 63 13.752 -0.489 -9.540 1.00 0.57 C ATOM 1012 O ASP A 63 14.491 -1.129 -10.286 1.00 0.63 O ATOM 1013 CB ASP A 63 15.391 -0.879 -7.632 1.00 0.56 C ATOM 1014 CG ASP A 63 16.511 -0.179 -8.370 1.00 0.67 C ATOM 1015 OD1 ASP A 63 16.589 1.061 -8.319 1.00 1.34 O ATOM 1016 OD2 ASP A 63 17.354 -0.880 -8.968 1.00 1.24 O ATOM 0 H ASP A 63 13.499 -2.141 -6.906 1.00 0.48 H new ATOM 0 HA ASP A 63 13.806 0.579 -7.708 1.00 0.54 H new ATOM 0 HB2 ASP A 63 15.520 -0.706 -6.564 1.00 0.56 H new ATOM 0 HB3 ASP A 63 15.487 -1.952 -7.795 1.00 0.56 H new ATOM 1021 N SER A 64 12.707 0.191 -9.980 1.00 0.59 N ATOM 1022 CA SER A 64 12.294 0.171 -11.367 1.00 0.64 C ATOM 1023 C SER A 64 13.222 1.045 -12.191 1.00 0.66 C ATOM 1024 O SER A 64 13.489 0.761 -13.360 1.00 0.76 O ATOM 1025 CB SER A 64 10.845 0.647 -11.491 1.00 0.72 C ATOM 1026 OG SER A 64 10.337 0.403 -12.791 1.00 1.37 O ATOM 0 H SER A 64 12.121 0.773 -9.381 1.00 0.59 H new ATOM 0 HA SER A 64 12.351 -0.849 -11.746 1.00 0.64 H new ATOM 0 HB2 SER A 64 10.227 0.135 -10.754 1.00 0.72 H new ATOM 0 HB3 SER A 64 10.789 1.713 -11.269 1.00 0.72 H new ATOM 0 HG SER A 64 9.409 0.715 -12.844 1.00 1.37 H new ATOM 1032 N ASN A 65 13.723 2.103 -11.569 1.00 0.63 N ATOM 1033 CA ASN A 65 14.713 2.965 -12.209 1.00 0.72 C ATOM 1034 C ASN A 65 16.073 2.267 -12.283 1.00 0.69 C ATOM 1035 O ASN A 65 17.009 2.755 -12.915 1.00 0.77 O ATOM 1036 CB ASN A 65 14.827 4.313 -11.477 1.00 0.79 C ATOM 1037 CG ASN A 65 15.656 4.279 -10.198 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.309 5.262 -9.854 1.00 1.65 O ATOM 1039 ND2 ASN A 65 15.608 3.181 -9.466 1.00 1.16 N ATOM 0 H ASN A 65 13.463 2.387 -10.624 1.00 0.63 H new ATOM 0 HA ASN A 65 14.378 3.165 -13.227 1.00 0.72 H new ATOM 0 HB2 ASN A 65 15.264 5.044 -12.157 1.00 0.79 H new ATOM 0 HB3 ASN A 65 13.824 4.664 -11.234 1.00 0.79 H new ATOM 0 HD21 ASN A 65 16.122 3.131 -8.587 1.00 1.16 H new ATOM 0 HD22 ASN A 65 15.056 2.382 -9.780 1.00 1.16 H new ATOM 1046 N ARG A 66 16.133 1.102 -11.629 1.00 0.60 N ATOM 1047 CA ARG A 66 17.306 0.239 -11.585 1.00 0.60 C ATOM 1048 C ARG A 66 18.577 0.994 -11.237 1.00 0.61 C ATOM 1049 O ARG A 66 19.637 0.759 -11.817 1.00 0.69 O ATOM 1050 CB ARG A 66 17.473 -0.509 -12.893 1.00 0.67 C ATOM 1051 CG ARG A 66 16.309 -1.424 -13.230 1.00 0.71 C ATOM 1052 CD ARG A 66 16.194 -2.633 -12.297 1.00 0.71 C ATOM 1053 NE ARG A 66 15.356 -3.661 -12.914 1.00 0.78 N ATOM 1054 CZ ARG A 66 14.025 -3.611 -12.958 1.00 1.20 C ATOM 1055 NH1 ARG A 66 13.368 -2.658 -12.314 1.00 2.24 N ATOM 1056 NH2 ARG A 66 13.350 -4.535 -13.625 1.00 1.15 N ATOM 0 H ARG A 66 15.343 0.728 -11.103 1.00 0.60 H new ATOM 0 HA ARG A 66 17.135 -0.480 -10.784 1.00 0.60 H new ATOM 0 HB2 ARG A 66 17.601 0.213 -13.700 1.00 0.67 H new ATOM 0 HB3 ARG A 66 18.387 -1.101 -12.848 1.00 0.67 H new ATOM 0 HG2 ARG A 66 15.382 -0.852 -13.186 1.00 0.71 H new ATOM 0 HG3 ARG A 66 16.418 -1.776 -14.256 1.00 0.71 H new ATOM 0 HD2 ARG A 66 17.184 -3.037 -12.087 1.00 0.71 H new ATOM 0 HD3 ARG A 66 15.766 -2.327 -11.342 1.00 0.71 H new ATOM 0 HE ARG A 66 15.819 -4.466 -13.337 1.00 0.78 H new ATOM 0 HH11 ARG A 66 13.881 -1.956 -11.780 1.00 2.24 H new ATOM 0 HH12 ARG A 66 12.349 -2.626 -12.352 1.00 2.24 H new ATOM 0 HH21 ARG A 66 13.849 -5.284 -14.105 1.00 1.15 H new ATOM 0 HH22 ARG A 66 12.331 -4.497 -13.659 1.00 1.15 H new ATOM 1070 N ASP A 67 18.463 1.878 -10.267 1.00 0.58 N ATOM 1071 CA ASP A 67 19.607 2.632 -9.775 1.00 0.62 C ATOM 1072 C ASP A 67 20.203 1.887 -8.590 1.00 0.56 C ATOM 1073 O ASP A 67 21.221 2.282 -8.020 1.00 0.57 O ATOM 1074 CB ASP A 67 19.175 4.043 -9.366 1.00 0.70 C ATOM 1075 CG ASP A 67 20.343 4.980 -9.147 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.970 5.399 -10.145 1.00 1.72 O ATOM 1077 OD2 ASP A 67 20.622 5.334 -7.988 1.00 1.64 O ATOM 0 H ASP A 67 17.584 2.096 -9.798 1.00 0.58 H new ATOM 0 HA ASP A 67 20.357 2.728 -10.560 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.525 4.456 -10.138 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.586 3.985 -8.451 1.00 0.70 H new ATOM 1082 N ASN A 68 19.526 0.794 -8.242 1.00 0.53 N ATOM 1083 CA ASN A 68 19.912 -0.090 -7.146 1.00 0.51 C ATOM 1084 C ASN A 68 19.702 0.589 -5.809 1.00 0.47 C ATOM 1085 O ASN A 68 20.353 0.270 -4.810 1.00 0.48 O ATOM 1086 CB ASN A 68 21.343 -0.609 -7.309 1.00 0.58 C ATOM 1087 CG ASN A 68 21.485 -1.517 -8.521 1.00 0.73 C ATOM 1088 OD1 ASN A 68 22.574 -1.667 -9.076 1.00 1.08 O ATOM 1089 ND2 ASN A 68 20.379 -2.113 -8.958 1.00 0.66 N ATOM 0 H ASN A 68 18.678 0.493 -8.723 1.00 0.53 H new ATOM 0 HA ASN A 68 19.262 -0.964 -7.178 1.00 0.51 H new ATOM 0 HB2 ASN A 68 22.026 0.235 -7.406 1.00 0.58 H new ATOM 0 HB3 ASN A 68 21.636 -1.154 -6.411 1.00 0.58 H new ATOM 0 HD21 ASN A 68 20.416 -2.718 -9.779 1.00 0.66 H new ATOM 0 HD22 ASN A 68 19.494 -1.965 -8.472 1.00 0.66 H new ATOM 1096 N GLU A 69 18.781 1.539 -5.813 1.00 0.46 N ATOM 1097 CA GLU A 69 18.267 2.136 -4.602 1.00 0.42 C ATOM 1098 C GLU A 69 16.765 2.308 -4.767 1.00 0.41 C ATOM 1099 O GLU A 69 16.316 2.999 -5.679 1.00 0.44 O ATOM 1100 CB GLU A 69 18.911 3.494 -4.292 1.00 0.46 C ATOM 1101 CG GLU A 69 20.430 3.482 -4.240 1.00 0.50 C ATOM 1102 CD GLU A 69 21.007 4.747 -3.631 1.00 0.65 C ATOM 1103 OE1 GLU A 69 21.222 5.726 -4.376 1.00 1.29 O ATOM 1104 OE2 GLU A 69 21.264 4.763 -2.409 1.00 1.31 O ATOM 0 H GLU A 69 18.369 1.917 -6.666 1.00 0.46 H new ATOM 0 HA GLU A 69 18.505 1.479 -3.765 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.593 4.212 -5.048 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.531 3.850 -3.334 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.762 2.621 -3.661 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.823 3.358 -5.249 1.00 0.50 H new ATOM 1111 N VAL A 70 15.998 1.673 -3.898 1.00 0.37 N ATOM 1112 CA VAL A 70 14.546 1.722 -4.004 1.00 0.36 C ATOM 1113 C VAL A 70 14.004 3.038 -3.472 1.00 0.35 C ATOM 1114 O VAL A 70 14.246 3.402 -2.327 1.00 0.36 O ATOM 1115 CB VAL A 70 13.878 0.567 -3.238 1.00 0.34 C ATOM 1116 CG1 VAL A 70 12.377 0.774 -3.175 1.00 0.34 C ATOM 1117 CG2 VAL A 70 14.199 -0.761 -3.892 1.00 0.37 C ATOM 0 H VAL A 70 16.350 1.121 -3.116 1.00 0.37 H new ATOM 0 HA VAL A 70 14.309 1.628 -5.064 1.00 0.36 H new ATOM 0 HB VAL A 70 14.271 0.555 -2.222 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.918 -0.051 -2.630 1.00 0.34 H new ATOM 0 HG12 VAL A 70 12.160 1.712 -2.663 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.972 0.810 -4.186 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.718 -1.566 -3.336 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.832 -0.759 -4.918 1.00 0.37 H new ATOM 0 HG23 VAL A 70 15.278 -0.915 -3.893 1.00 0.37 H new ATOM 1127 N ASP A 71 13.270 3.736 -4.314 1.00 0.38 N ATOM 1128 CA ASP A 71 12.733 5.041 -3.972 1.00 0.39 C ATOM 1129 C ASP A 71 11.486 4.950 -3.099 1.00 0.37 C ATOM 1130 O ASP A 71 10.872 3.897 -3.018 1.00 0.35 O ATOM 1131 CB ASP A 71 12.397 5.800 -5.249 1.00 0.45 C ATOM 1132 CG ASP A 71 11.602 7.047 -4.979 1.00 0.77 C ATOM 1133 OD1 ASP A 71 12.157 7.983 -4.370 1.00 1.35 O ATOM 1134 OD2 ASP A 71 10.401 7.072 -5.316 1.00 1.43 O ATOM 0 H ASP A 71 13.028 3.418 -5.252 1.00 0.38 H new ATOM 0 HA ASP A 71 13.497 5.567 -3.399 1.00 0.39 H new ATOM 0 HB2 ASP A 71 13.320 6.065 -5.765 1.00 0.45 H new ATOM 0 HB3 ASP A 71 11.833 5.150 -5.918 1.00 0.45 H new ATOM 1139 N PHE A 72 11.137 6.063 -2.451 1.00 0.41 N ATOM 1140 CA PHE A 72 9.889 6.205 -1.699 1.00 0.44 C ATOM 1141 C PHE A 72 8.725 5.511 -2.406 1.00 0.40 C ATOM 1142 O PHE A 72 8.007 4.703 -1.817 1.00 0.42 O ATOM 1143 CB PHE A 72 9.548 7.692 -1.576 1.00 0.54 C ATOM 1144 CG PHE A 72 9.770 8.301 -0.223 1.00 0.94 C ATOM 1145 CD1 PHE A 72 9.007 7.907 0.862 1.00 1.70 C ATOM 1146 CD2 PHE A 72 10.726 9.288 -0.042 1.00 1.69 C ATOM 1147 CE1 PHE A 72 9.195 8.481 2.103 1.00 2.17 C ATOM 1148 CE2 PHE A 72 10.913 9.868 1.197 1.00 2.18 C ATOM 1149 CZ PHE A 72 10.148 9.463 2.270 1.00 2.15 C ATOM 0 H PHE A 72 11.719 6.900 -2.433 1.00 0.41 H new ATOM 0 HA PHE A 72 10.033 5.746 -0.721 1.00 0.44 H new ATOM 0 HB2 PHE A 72 10.143 8.244 -2.304 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.502 7.830 -1.849 1.00 0.54 H new ATOM 0 HD1 PHE A 72 8.256 7.141 0.736 1.00 1.70 H new ATOM 0 HD2 PHE A 72 11.331 9.607 -0.878 1.00 1.69 H new ATOM 0 HE1 PHE A 72 8.596 8.161 2.943 1.00 2.17 H new ATOM 0 HE2 PHE A 72 11.658 10.639 1.326 1.00 2.18 H new ATOM 0 HZ PHE A 72 10.295 9.914 3.240 1.00 2.15 H new ATOM 1159 N GLN A 73 8.573 5.821 -3.683 1.00 0.38 N ATOM 1160 CA GLN A 73 7.455 5.332 -4.475 1.00 0.37 C ATOM 1161 C GLN A 73 7.664 3.880 -4.860 1.00 0.36 C ATOM 1162 O GLN A 73 6.743 3.077 -4.782 1.00 0.37 O ATOM 1163 CB GLN A 73 7.257 6.189 -5.731 1.00 0.41 C ATOM 1164 CG GLN A 73 6.177 5.662 -6.669 1.00 0.50 C ATOM 1165 CD GLN A 73 6.744 4.993 -7.914 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.895 5.625 -8.957 1.00 0.63 O ATOM 1167 NE2 GLN A 73 7.078 3.716 -7.811 1.00 0.41 N ATOM 0 H GLN A 73 9.219 6.417 -4.200 1.00 0.38 H new ATOM 0 HA GLN A 73 6.556 5.404 -3.863 1.00 0.37 H new ATOM 0 HB2 GLN A 73 7.000 7.205 -5.430 1.00 0.41 H new ATOM 0 HB3 GLN A 73 8.201 6.246 -6.274 1.00 0.41 H new ATOM 0 HG2 GLN A 73 5.554 4.947 -6.131 1.00 0.50 H new ATOM 0 HG3 GLN A 73 5.530 6.487 -6.969 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.939 3.222 -6.930 1.00 0.41 H new ATOM 0 HE22 GLN A 73 7.474 3.226 -8.613 1.00 0.41 H new ATOM 1176 N GLU A 74 8.877 3.549 -5.280 1.00 0.37 N ATOM 1177 CA GLU A 74 9.210 2.185 -5.661 1.00 0.40 C ATOM 1178 C GLU A 74 9.046 1.271 -4.445 1.00 0.38 C ATOM 1179 O GLU A 74 8.701 0.093 -4.554 1.00 0.41 O ATOM 1180 CB GLU A 74 10.644 2.151 -6.209 1.00 0.45 C ATOM 1181 CG GLU A 74 10.844 3.083 -7.404 1.00 0.59 C ATOM 1182 CD GLU A 74 12.278 3.134 -7.914 1.00 1.40 C ATOM 1183 OE1 GLU A 74 13.162 3.617 -7.175 1.00 2.04 O ATOM 1184 OE2 GLU A 74 12.516 2.723 -9.072 1.00 2.18 O ATOM 0 H GLU A 74 9.649 4.210 -5.365 1.00 0.37 H new ATOM 0 HA GLU A 74 8.541 1.829 -6.444 1.00 0.40 H new ATOM 0 HB2 GLU A 74 11.338 2.430 -5.416 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.891 1.131 -6.504 1.00 0.45 H new ATOM 0 HG2 GLU A 74 10.191 2.762 -8.216 1.00 0.59 H new ATOM 0 HG3 GLU A 74 10.533 4.089 -7.124 1.00 0.59 H new ATOM 1191 N TYR A 75 9.242 1.873 -3.288 1.00 0.34 N ATOM 1192 CA TYR A 75 9.101 1.221 -2.006 1.00 0.37 C ATOM 1193 C TYR A 75 7.631 1.094 -1.632 1.00 0.34 C ATOM 1194 O TYR A 75 7.190 0.069 -1.116 1.00 0.34 O ATOM 1195 CB TYR A 75 9.829 2.053 -0.958 1.00 0.43 C ATOM 1196 CG TYR A 75 9.503 1.669 0.462 1.00 0.86 C ATOM 1197 CD1 TYR A 75 10.064 0.539 1.038 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.634 2.436 1.229 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.770 0.185 2.337 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.338 2.088 2.529 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.907 0.962 3.076 1.00 1.84 C ATOM 1202 OH TYR A 75 8.617 0.614 4.371 1.00 2.33 O ATOM 0 H TYR A 75 9.511 2.854 -3.215 1.00 0.34 H new ATOM 0 HA TYR A 75 9.529 0.220 -2.057 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.903 1.955 -1.113 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.580 3.104 -1.106 1.00 0.43 H new ATOM 0 HD1 TYR A 75 10.741 -0.072 0.460 1.00 1.50 H new ATOM 0 HD2 TYR A 75 8.184 3.319 0.799 1.00 1.72 H new ATOM 0 HE1 TYR A 75 10.214 -0.698 2.773 1.00 1.86 H new ATOM 0 HE2 TYR A 75 7.664 2.696 3.114 1.00 2.09 H new ATOM 0 HH TYR A 75 8.737 1.393 4.954 1.00 2.33 H new ATOM 1212 N SER A 76 6.884 2.159 -1.879 1.00 0.35 N ATOM 1213 CA SER A 76 5.462 2.162 -1.615 1.00 0.37 C ATOM 1214 C SER A 76 4.789 1.110 -2.476 1.00 0.36 C ATOM 1215 O SER A 76 3.999 0.322 -1.981 1.00 0.41 O ATOM 1216 CB SER A 76 4.871 3.546 -1.884 1.00 0.41 C ATOM 1217 OG SER A 76 3.462 3.543 -1.749 1.00 1.21 O ATOM 0 H SER A 76 7.245 3.032 -2.263 1.00 0.35 H new ATOM 0 HA SER A 76 5.289 1.924 -0.565 1.00 0.37 H new ATOM 0 HB2 SER A 76 5.303 4.268 -1.191 1.00 0.41 H new ATOM 0 HB3 SER A 76 5.141 3.869 -2.890 1.00 0.41 H new ATOM 0 HG SER A 76 3.056 3.180 -2.564 1.00 1.21 H new ATOM 1223 N VAL A 77 5.158 1.075 -3.755 1.00 0.35 N ATOM 1224 CA VAL A 77 4.631 0.092 -4.693 1.00 0.36 C ATOM 1225 C VAL A 77 4.926 -1.309 -4.191 1.00 0.33 C ATOM 1226 O VAL A 77 4.129 -2.225 -4.363 1.00 0.33 O ATOM 1227 CB VAL A 77 5.240 0.263 -6.103 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.802 -0.868 -7.023 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.848 1.607 -6.691 1.00 0.44 C ATOM 0 H VAL A 77 5.828 1.725 -4.167 1.00 0.35 H new ATOM 0 HA VAL A 77 3.555 0.249 -4.763 1.00 0.36 H new ATOM 0 HB VAL A 77 6.326 0.227 -6.012 1.00 0.40 H new ATOM 0 HG11 VAL A 77 5.243 -0.726 -8.010 1.00 0.43 H new ATOM 0 HG12 VAL A 77 5.133 -1.821 -6.611 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.715 -0.868 -7.108 1.00 0.43 H new ATOM 0 HG21 VAL A 77 5.285 1.711 -7.684 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.762 1.669 -6.764 1.00 0.44 H new ATOM 0 HG23 VAL A 77 5.215 2.407 -6.047 1.00 0.44 H new ATOM 1239 N PHE A 78 6.079 -1.458 -3.569 1.00 0.32 N ATOM 1240 CA PHE A 78 6.447 -2.704 -2.930 1.00 0.29 C ATOM 1241 C PHE A 78 5.420 -3.096 -1.872 1.00 0.27 C ATOM 1242 O PHE A 78 4.781 -4.144 -1.980 1.00 0.28 O ATOM 1243 CB PHE A 78 7.823 -2.562 -2.296 1.00 0.27 C ATOM 1244 CG PHE A 78 8.247 -3.764 -1.513 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.954 -5.043 -1.959 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.938 -3.613 -0.330 1.00 1.18 C ATOM 1247 CE1 PHE A 78 8.343 -6.145 -1.236 1.00 1.24 C ATOM 1248 CE2 PHE A 78 9.331 -4.710 0.396 1.00 1.19 C ATOM 1249 CZ PHE A 78 9.033 -5.980 -0.056 1.00 0.37 C ATOM 0 H PHE A 78 6.782 -0.723 -3.493 1.00 0.32 H new ATOM 0 HA PHE A 78 6.473 -3.490 -3.684 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.557 -2.371 -3.079 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.824 -1.692 -1.639 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.414 -5.175 -2.885 1.00 1.22 H new ATOM 0 HD2 PHE A 78 9.173 -2.622 0.029 1.00 1.18 H new ATOM 0 HE1 PHE A 78 8.108 -7.137 -1.592 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.873 -4.579 1.321 1.00 1.19 H new ATOM 0 HZ PHE A 78 9.341 -6.843 0.515 1.00 0.37 H new ATOM 1259 N LEU A 79 5.265 -2.243 -0.861 1.00 0.27 N ATOM 1260 CA LEU A 79 4.305 -2.486 0.219 1.00 0.26 C ATOM 1261 C LEU A 79 2.919 -2.734 -0.355 1.00 0.31 C ATOM 1262 O LEU A 79 2.191 -3.632 0.073 1.00 0.33 O ATOM 1263 CB LEU A 79 4.242 -1.282 1.154 1.00 0.29 C ATOM 1264 CG LEU A 79 5.571 -0.845 1.759 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.338 0.294 2.730 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.273 -2.007 2.454 1.00 0.30 C ATOM 0 H LEU A 79 5.792 -1.375 -0.765 1.00 0.27 H new ATOM 0 HA LEU A 79 4.635 -3.364 0.775 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.820 -0.440 0.605 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.552 -1.511 1.966 1.00 0.29 H new ATOM 0 HG LEU A 79 6.222 -0.504 0.954 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.290 0.605 3.161 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.887 1.135 2.203 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.670 -0.037 3.525 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.218 -1.662 2.875 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.638 -2.390 3.253 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.466 -2.800 1.732 1.00 0.30 H new ATOM 1278 N SER A 80 2.586 -1.911 -1.330 1.00 0.36 N ATOM 1279 CA SER A 80 1.341 -1.993 -2.060 1.00 0.47 C ATOM 1280 C SER A 80 1.141 -3.387 -2.639 1.00 0.37 C ATOM 1281 O SER A 80 0.132 -4.042 -2.380 1.00 0.38 O ATOM 1282 CB SER A 80 1.381 -0.970 -3.189 1.00 0.66 C ATOM 1283 OG SER A 80 1.563 0.345 -2.688 1.00 0.84 O ATOM 0 H SER A 80 3.189 -1.150 -1.642 1.00 0.36 H new ATOM 0 HA SER A 80 0.511 -1.787 -1.384 1.00 0.47 H new ATOM 0 HB2 SER A 80 2.191 -1.215 -3.876 1.00 0.66 H new ATOM 0 HB3 SER A 80 0.454 -1.019 -3.760 1.00 0.66 H new ATOM 0 HG SER A 80 2.462 0.428 -2.306 1.00 0.84 H new ATOM 1289 N SER A 81 2.129 -3.834 -3.407 1.00 0.33 N ATOM 1290 CA SER A 81 2.080 -5.132 -4.055 1.00 0.30 C ATOM 1291 C SER A 81 1.899 -6.236 -3.026 1.00 0.24 C ATOM 1292 O SER A 81 1.197 -7.202 -3.279 1.00 0.26 O ATOM 1293 CB SER A 81 3.353 -5.370 -4.869 1.00 0.37 C ATOM 1294 OG SER A 81 3.534 -4.355 -5.842 1.00 1.22 O ATOM 0 H SER A 81 2.981 -3.306 -3.595 1.00 0.33 H new ATOM 0 HA SER A 81 1.225 -5.146 -4.731 1.00 0.30 H new ATOM 0 HB2 SER A 81 4.215 -5.397 -4.202 1.00 0.37 H new ATOM 0 HB3 SER A 81 3.299 -6.342 -5.359 1.00 0.37 H new ATOM 0 HG SER A 81 3.985 -3.587 -5.434 1.00 1.22 H new ATOM 1300 N ILE A 82 2.520 -6.079 -1.864 1.00 0.23 N ATOM 1301 CA ILE A 82 2.379 -7.052 -0.787 1.00 0.23 C ATOM 1302 C ILE A 82 0.914 -7.240 -0.416 1.00 0.27 C ATOM 1303 O ILE A 82 0.393 -8.359 -0.431 1.00 0.30 O ATOM 1304 CB ILE A 82 3.138 -6.619 0.478 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.619 -6.383 0.160 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.960 -7.671 1.565 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.426 -5.888 1.340 1.00 0.23 C ATOM 0 H ILE A 82 3.125 -5.289 -1.643 1.00 0.23 H new ATOM 0 HA ILE A 82 2.800 -7.987 -1.158 1.00 0.23 H new ATOM 0 HB ILE A 82 2.729 -5.677 0.842 1.00 0.24 H new ATOM 0 HG12 ILE A 82 5.056 -7.314 -0.202 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.696 -5.658 -0.650 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.499 -7.363 2.461 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.900 -7.779 1.797 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.353 -8.626 1.215 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.463 -5.745 1.037 1.00 0.23 H new ATOM 0 HD12 ILE A 82 5.016 -4.941 1.690 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.381 -6.622 2.145 1.00 0.23 H new ATOM 1319 N ALA A 83 0.256 -6.133 -0.094 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.138 -6.164 0.313 1.00 0.36 C ATOM 1321 C ALA A 83 -2.029 -6.656 -0.827 1.00 0.37 C ATOM 1322 O ALA A 83 -3.028 -7.334 -0.593 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.573 -4.789 0.804 1.00 0.40 C ATOM 0 H ALA A 83 0.670 -5.201 -0.108 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.245 -6.869 1.137 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.620 -4.825 1.106 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -0.959 -4.496 1.656 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.452 -4.061 0.002 1.00 0.40 H new ATOM 1329 N MET A 84 -1.654 -6.328 -2.063 1.00 0.37 N ATOM 1330 CA MET A 84 -2.385 -6.817 -3.232 1.00 0.43 C ATOM 1331 C MET A 84 -2.261 -8.334 -3.342 1.00 0.34 C ATOM 1332 O MET A 84 -3.259 -9.052 -3.384 1.00 0.37 O ATOM 1333 CB MET A 84 -1.858 -6.190 -4.528 1.00 0.64 C ATOM 1334 CG MET A 84 -1.892 -4.675 -4.554 1.00 0.44 C ATOM 1335 SD MET A 84 -1.336 -4.008 -6.135 1.00 1.00 S ATOM 1336 CE MET A 84 -1.285 -2.259 -5.759 1.00 1.26 C ATOM 0 H MET A 84 -0.856 -5.731 -2.280 1.00 0.37 H new ATOM 0 HA MET A 84 -3.429 -6.534 -3.098 1.00 0.43 H new ATOM 0 HB2 MET A 84 -0.831 -6.520 -4.685 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.446 -6.568 -5.365 1.00 0.64 H new ATOM 0 HG2 MET A 84 -2.907 -4.333 -4.354 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.261 -4.285 -3.755 1.00 0.44 H new ATOM 0 HE1 MET A 84 -1.610 -1.690 -6.630 1.00 1.26 H new ATOM 0 HE2 MET A 84 -1.948 -2.048 -4.920 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.266 -1.973 -5.498 1.00 1.26 H new ATOM 1346 N MET A 85 -1.019 -8.808 -3.374 1.00 0.34 N ATOM 1347 CA MET A 85 -0.726 -10.229 -3.527 1.00 0.35 C ATOM 1348 C MET A 85 -1.450 -11.045 -2.469 1.00 0.35 C ATOM 1349 O MET A 85 -2.105 -12.037 -2.781 1.00 0.42 O ATOM 1350 CB MET A 85 0.781 -10.488 -3.417 1.00 0.39 C ATOM 1351 CG MET A 85 1.615 -9.801 -4.489 1.00 1.36 C ATOM 1352 SD MET A 85 1.409 -10.524 -6.127 1.00 2.66 S ATOM 1353 CE MET A 85 2.569 -9.533 -7.070 1.00 3.35 C ATOM 0 H MET A 85 -0.190 -8.220 -3.295 1.00 0.34 H new ATOM 0 HA MET A 85 -1.072 -10.532 -4.515 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.124 -10.155 -2.437 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.958 -11.562 -3.469 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.345 -8.746 -4.529 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.667 -9.850 -4.208 1.00 1.36 H new ATOM 0 HE1 MET A 85 2.562 -9.856 -8.111 1.00 3.35 H new ATOM 0 HE2 MET A 85 2.280 -8.483 -7.014 1.00 3.35 H new ATOM 0 HE3 MET A 85 3.571 -9.656 -6.659 1.00 3.35 H new ATOM 1363 N SER A 86 -1.342 -10.609 -1.219 1.00 0.33 N ATOM 1364 CA SER A 86 -1.958 -11.323 -0.112 1.00 0.39 C ATOM 1365 C SER A 86 -3.487 -11.328 -0.206 1.00 0.43 C ATOM 1366 O SER A 86 -4.127 -12.283 0.230 1.00 0.57 O ATOM 1367 CB SER A 86 -1.496 -10.726 1.219 1.00 0.43 C ATOM 1368 OG SER A 86 -1.588 -9.313 1.203 1.00 1.24 O ATOM 0 H SER A 86 -0.834 -9.766 -0.949 1.00 0.33 H new ATOM 0 HA SER A 86 -1.635 -12.363 -0.168 1.00 0.39 H new ATOM 0 HB2 SER A 86 -2.105 -11.124 2.031 1.00 0.43 H new ATOM 0 HB3 SER A 86 -0.467 -11.024 1.417 1.00 0.43 H new ATOM 0 HG SER A 86 -0.806 -8.939 0.745 1.00 1.24 H new ATOM 1374 N ASN A 87 -4.080 -10.284 -0.783 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.536 -10.220 -0.878 1.00 0.51 C ATOM 1376 C ASN A 87 -6.045 -11.040 -2.066 1.00 0.44 C ATOM 1377 O ASN A 87 -7.064 -11.742 -1.975 1.00 0.53 O ATOM 1378 CB ASN A 87 -6.036 -8.762 -0.942 1.00 0.69 C ATOM 1379 CG ASN A 87 -6.065 -8.143 -2.336 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -5.302 -7.233 -2.643 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -6.946 -8.641 -3.190 1.00 1.49 N ATOM 0 H ASN A 87 -3.586 -9.487 -1.184 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.947 -10.661 0.030 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -7.042 -8.722 -0.524 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.400 -8.149 -0.303 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -7.005 -8.268 -4.137 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.565 -9.398 -2.900 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.348 -10.940 -3.190 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.664 -11.757 -4.350 1.00 0.43 C ATOM 1390 C GLU A 88 -5.509 -13.220 -3.987 1.00 0.52 C ATOM 1391 O GLU A 88 -6.272 -14.078 -4.431 1.00 0.66 O ATOM 1392 CB GLU A 88 -4.752 -11.396 -5.519 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.875 -9.944 -5.945 1.00 0.51 C ATOM 1394 CD GLU A 88 -3.945 -9.590 -7.084 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -2.759 -9.310 -6.826 1.00 1.73 O ATOM 1396 OE2 GLU A 88 -4.402 -9.580 -8.242 1.00 1.49 O ATOM 0 H GLU A 88 -4.563 -10.303 -3.321 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.694 -11.570 -4.655 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.718 -11.601 -5.242 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -4.988 -12.038 -6.367 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -5.903 -9.743 -6.245 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.660 -9.300 -5.092 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.529 -13.484 -3.137 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.296 -14.818 -2.629 1.00 0.63 C ATOM 1405 C PHE A 89 -5.238 -15.122 -1.462 1.00 0.66 C ATOM 1406 O PHE A 89 -5.368 -16.275 -1.049 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.837 -14.961 -2.191 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.468 -16.348 -1.747 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.444 -17.394 -2.653 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -2.156 -16.604 -0.423 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -2.113 -18.672 -2.246 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.826 -17.880 -0.010 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.805 -18.914 -0.924 1.00 2.70 C ATOM 0 H PHE A 89 -3.879 -12.781 -2.784 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.498 -15.536 -3.424 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.189 -14.671 -3.018 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.643 -14.265 -1.375 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.687 -17.209 -3.689 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -2.171 -15.797 0.295 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -2.096 -19.480 -2.962 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -1.585 -18.068 1.026 1.00 2.80 H new ATOM 0 HZ PHE A 89 -1.547 -19.913 -0.604 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.903 -14.093 -0.932 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.887 -14.300 0.126 1.00 0.68 C ATOM 1425 C PHE A 90 -8.021 -15.147 -0.427 1.00 0.68 C ATOM 1426 O PHE A 90 -8.501 -16.075 0.227 1.00 0.80 O ATOM 1427 CB PHE A 90 -7.414 -12.962 0.662 1.00 0.69 C ATOM 1428 CG PHE A 90 -8.293 -13.082 1.876 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -9.664 -13.243 1.749 1.00 1.53 C ATOM 1430 CD2 PHE A 90 -7.745 -13.025 3.147 1.00 1.46 C ATOM 1431 CE1 PHE A 90 -10.470 -13.345 2.866 1.00 1.64 C ATOM 1432 CE2 PHE A 90 -8.546 -13.129 4.268 1.00 1.59 C ATOM 1433 CZ PHE A 90 -9.910 -13.288 4.127 1.00 1.21 C ATOM 0 H PHE A 90 -5.779 -13.121 -1.215 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.417 -14.816 0.963 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -6.566 -12.322 0.905 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.974 -12.463 -0.129 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -10.107 -13.289 0.765 1.00 1.53 H new ATOM 0 HD2 PHE A 90 -6.679 -12.898 3.263 1.00 1.46 H new ATOM 0 HE1 PHE A 90 -11.537 -13.469 2.753 1.00 1.64 H new ATOM 0 HE2 PHE A 90 -8.106 -13.086 5.253 1.00 1.59 H new ATOM 0 HZ PHE A 90 -10.538 -13.368 5.002 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.444 -14.819 -1.644 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.350 -15.697 -2.383 1.00 0.72 C ATOM 1445 C GLU A 91 -8.620 -16.955 -2.813 1.00 0.77 C ATOM 1446 O GLU A 91 -9.136 -18.066 -2.700 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.902 -15.003 -3.624 1.00 0.83 C ATOM 1448 CG GLU A 91 -10.677 -13.752 -3.308 1.00 0.92 C ATOM 1449 CD GLU A 91 -11.877 -14.014 -2.425 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -11.703 -14.067 -1.196 1.00 2.25 O ATOM 1451 OE2 GLU A 91 -12.996 -14.164 -2.963 1.00 2.23 O ATOM 0 H GLU A 91 -8.180 -13.965 -2.135 1.00 0.61 H new ATOM 0 HA GLU A 91 -10.178 -15.950 -1.720 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -9.076 -14.753 -4.290 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.548 -15.696 -4.163 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -10.018 -13.037 -2.816 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -11.010 -13.291 -4.238 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.409 -16.758 -3.301 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.624 -17.845 -3.829 1.00 0.82 C ATOM 1460 C GLY A 92 -6.196 -17.548 -5.244 1.00 0.81 C ATOM 1461 O GLY A 92 -5.129 -17.969 -5.695 1.00 0.92 O ATOM 0 H GLY A 92 -6.951 -15.848 -3.340 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.746 -18.005 -3.203 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -7.205 -18.767 -3.804 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.038 -16.795 -5.933 1.00 0.76 N ATOM 1466 CA PHE A 93 -6.765 -16.358 -7.287 1.00 0.78 C ATOM 1467 C PHE A 93 -7.495 -15.044 -7.543 1.00 0.69 C ATOM 1468 O PHE A 93 -8.672 -14.906 -7.197 1.00 0.82 O ATOM 1469 CB PHE A 93 -7.210 -17.426 -8.295 1.00 1.00 C ATOM 1470 CG PHE A 93 -6.956 -17.053 -9.731 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -5.695 -17.195 -10.283 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -7.979 -16.557 -10.524 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -5.456 -16.849 -11.599 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -7.748 -16.212 -11.841 1.00 3.46 C ATOM 1475 CZ PHE A 93 -6.484 -16.358 -12.379 1.00 3.91 C ATOM 0 H PHE A 93 -7.932 -16.470 -5.565 1.00 0.76 H new ATOM 0 HA PHE A 93 -5.693 -16.206 -7.410 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -6.690 -18.358 -8.075 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -8.275 -17.616 -8.162 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -4.888 -17.581 -9.678 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -8.968 -16.439 -10.107 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -4.467 -16.962 -12.017 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -8.554 -15.829 -12.449 1.00 3.46 H new ATOM 0 HZ PHE A 93 -6.300 -16.088 -13.409 1.00 3.91 H new ATOM 1485 N PRO A 94 -6.796 -14.052 -8.111 1.00 0.64 N ATOM 1486 CA PRO A 94 -7.387 -12.754 -8.444 1.00 0.61 C ATOM 1487 C PRO A 94 -8.537 -12.875 -9.435 1.00 0.71 C ATOM 1488 O PRO A 94 -8.330 -13.008 -10.644 1.00 0.90 O ATOM 1489 CB PRO A 94 -6.243 -11.968 -9.073 1.00 0.65 C ATOM 1490 CG PRO A 94 -5.220 -12.984 -9.447 1.00 0.84 C ATOM 1491 CD PRO A 94 -5.369 -14.108 -8.461 1.00 0.83 C ATOM 0 HA PRO A 94 -7.809 -12.278 -7.559 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -6.583 -11.413 -9.947 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -5.835 -11.240 -8.372 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -5.376 -13.337 -10.467 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -4.217 -12.560 -9.406 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -5.098 -15.068 -8.900 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -4.733 -13.966 -7.587 1.00 0.83 H new ATOM 1499 N ASP A 95 -9.745 -12.820 -8.910 1.00 0.71 N ATOM 1500 CA ASP A 95 -10.946 -12.893 -9.722 1.00 0.88 C ATOM 1501 C ASP A 95 -11.989 -11.993 -9.088 1.00 0.84 C ATOM 1502 O ASP A 95 -13.179 -12.290 -9.039 1.00 0.96 O ATOM 1503 CB ASP A 95 -11.447 -14.334 -9.826 1.00 1.12 C ATOM 1504 CG ASP A 95 -12.470 -14.504 -10.929 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -12.090 -14.413 -12.118 1.00 2.40 O ATOM 1506 OD2 ASP A 95 -13.661 -14.703 -10.624 1.00 2.16 O ATOM 0 H ASP A 95 -9.923 -12.724 -7.910 1.00 0.71 H new ATOM 0 HA ASP A 95 -10.736 -12.559 -10.738 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -10.603 -14.998 -10.010 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -11.887 -14.634 -8.875 1.00 1.12 H new ATOM 1511 N LYS A 96 -11.489 -10.887 -8.582 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.279 -9.925 -7.836 1.00 0.86 C ATOM 1513 C LYS A 96 -12.114 -8.540 -8.437 1.00 0.84 C ATOM 1514 O LYS A 96 -12.544 -7.541 -7.873 1.00 0.95 O ATOM 1515 CB LYS A 96 -11.801 -9.917 -6.385 1.00 0.97 C ATOM 1516 CG LYS A 96 -10.313 -10.243 -6.234 1.00 0.94 C ATOM 1517 CD LYS A 96 -9.719 -9.764 -4.909 1.00 0.65 C ATOM 1518 CE LYS A 96 -10.254 -10.516 -3.699 1.00 0.84 C ATOM 1519 NZ LYS A 96 -11.694 -10.249 -3.437 1.00 1.86 N ATOM 0 H LYS A 96 -10.508 -10.624 -8.677 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.332 -10.202 -7.880 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -11.996 -8.936 -5.951 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -12.384 -10.640 -5.814 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -10.174 -11.321 -6.318 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -9.763 -9.786 -7.057 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -8.635 -9.873 -4.945 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -9.929 -8.701 -4.789 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -10.111 -11.586 -3.851 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.673 -10.238 -2.820 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -11.853 -10.179 -2.412 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -11.970 -9.355 -3.892 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -12.267 -11.026 -3.824 1.00 1.86 H new ATOM 1663 N SER B 3 8.305 -3.164 13.370 1.00 0.80 N ATOM 1664 CA SER B 3 7.647 -4.227 14.125 1.00 0.78 C ATOM 1665 C SER B 3 6.234 -4.535 13.550 1.00 0.65 C ATOM 1666 O SER B 3 6.012 -4.342 12.362 1.00 0.83 O ATOM 1667 CB SER B 3 7.606 -3.737 15.575 1.00 0.97 C ATOM 1668 OG SER B 3 8.678 -2.840 15.823 1.00 1.18 O ATOM 0 HA SER B 3 8.185 -5.172 14.058 1.00 0.78 H new ATOM 0 HB2 SER B 3 6.655 -3.241 15.772 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.669 -4.587 16.255 1.00 0.97 H new ATOM 0 HG SER B 3 8.916 -2.377 14.993 1.00 1.18 H new ATOM 1674 N PRO B 4 5.297 -5.149 14.314 1.00 0.67 N ATOM 1675 CA PRO B 4 3.888 -5.293 13.910 1.00 0.62 C ATOM 1676 C PRO B 4 3.299 -4.202 12.975 1.00 0.47 C ATOM 1677 O PRO B 4 2.219 -4.410 12.450 1.00 0.50 O ATOM 1678 CB PRO B 4 3.183 -5.271 15.256 1.00 0.79 C ATOM 1679 CG PRO B 4 4.099 -6.026 16.155 1.00 0.97 C ATOM 1680 CD PRO B 4 5.500 -5.833 15.616 1.00 0.88 C ATOM 0 HA PRO B 4 3.764 -6.186 13.298 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.028 -4.251 15.609 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.201 -5.741 15.200 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.025 -5.659 17.179 1.00 0.97 H new ATOM 0 HG3 PRO B 4 3.835 -7.083 16.176 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.108 -5.231 16.292 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.013 -6.786 15.490 1.00 0.88 H new ATOM 1688 N LEU B 5 3.966 -3.053 12.775 1.00 0.36 N ATOM 1689 CA LEU B 5 3.454 -2.021 11.868 1.00 0.32 C ATOM 1690 C LEU B 5 3.400 -2.542 10.434 1.00 0.30 C ATOM 1691 O LEU B 5 2.416 -2.325 9.733 1.00 0.32 O ATOM 1692 CB LEU B 5 4.317 -0.764 11.936 1.00 0.32 C ATOM 1693 CG LEU B 5 3.923 0.373 10.986 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.857 1.681 11.751 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.913 0.498 9.841 1.00 0.27 C ATOM 0 H LEU B 5 4.851 -2.820 13.225 1.00 0.36 H new ATOM 0 HA LEU B 5 2.443 -1.766 12.186 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.290 -0.384 12.957 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.349 -1.044 11.727 1.00 0.32 H new ATOM 0 HG LEU B 5 2.943 0.143 10.567 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.577 2.486 11.072 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.114 1.601 12.545 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.832 1.897 12.187 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.608 1.312 9.184 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.906 0.706 10.240 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.936 -0.434 9.277 1.00 0.27 H new ATOM 1707 N GLU B 6 4.458 -3.225 10.007 1.00 0.35 N ATOM 1708 CA GLU B 6 4.463 -3.909 8.717 1.00 0.42 C ATOM 1709 C GLU B 6 3.247 -4.812 8.623 1.00 0.34 C ATOM 1710 O GLU B 6 2.411 -4.737 7.711 1.00 0.32 O ATOM 1711 CB GLU B 6 5.694 -4.798 8.601 1.00 0.62 C ATOM 1712 CG GLU B 6 5.671 -5.666 7.359 1.00 1.80 C ATOM 1713 CD GLU B 6 6.200 -7.072 7.590 1.00 2.84 C ATOM 1714 OE1 GLU B 6 6.649 -7.373 8.710 1.00 3.61 O ATOM 1715 OE2 GLU B 6 6.161 -7.890 6.645 1.00 3.32 O ATOM 0 H GLU B 6 5.325 -3.320 10.536 1.00 0.35 H new ATOM 0 HA GLU B 6 4.459 -3.157 7.928 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.588 -4.174 8.587 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.763 -5.434 9.483 1.00 0.62 H new ATOM 0 HG2 GLU B 6 4.648 -5.728 6.988 1.00 1.80 H new ATOM 0 HG3 GLU B 6 6.264 -5.187 6.580 1.00 1.80 H new ATOM 1722 N LYS B 7 3.175 -5.661 9.621 1.00 0.35 N ATOM 1723 CA LYS B 7 2.119 -6.640 9.750 1.00 0.36 C ATOM 1724 C LYS B 7 0.769 -5.930 9.878 1.00 0.32 C ATOM 1725 O LYS B 7 -0.276 -6.511 9.612 1.00 0.35 O ATOM 1726 CB LYS B 7 2.353 -7.531 10.980 1.00 0.44 C ATOM 1727 CG LYS B 7 3.813 -7.697 11.411 1.00 0.64 C ATOM 1728 CD LYS B 7 4.631 -8.594 10.487 1.00 0.80 C ATOM 1729 CE LYS B 7 5.954 -8.963 11.144 1.00 1.78 C ATOM 1730 NZ LYS B 7 5.764 -9.769 12.377 1.00 2.82 N ATOM 0 H LYS B 7 3.858 -5.692 10.378 1.00 0.35 H new ATOM 0 HA LYS B 7 2.118 -7.269 8.860 1.00 0.36 H new ATOM 0 HB2 LYS B 7 1.791 -7.118 11.817 1.00 0.44 H new ATOM 0 HB3 LYS B 7 1.939 -8.518 10.775 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.282 -6.714 11.457 1.00 0.64 H new ATOM 0 HG3 LYS B 7 3.839 -8.110 12.419 1.00 0.64 H new ATOM 0 HD2 LYS B 7 4.068 -9.498 10.255 1.00 0.80 H new ATOM 0 HD3 LYS B 7 4.816 -8.082 9.543 1.00 0.80 H new ATOM 0 HE2 LYS B 7 6.565 -9.524 10.436 1.00 1.78 H new ATOM 0 HE3 LYS B 7 6.503 -8.053 11.388 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 6.628 -10.315 12.572 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 5.566 -9.136 13.178 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 4.965 -10.421 12.246 1.00 2.82 H new ATOM 1744 N ALA B 8 0.811 -4.667 10.299 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.388 -3.864 10.488 1.00 0.29 C ATOM 1746 C ALA B 8 -0.914 -3.347 9.164 1.00 0.27 C ATOM 1747 O ALA B 8 -2.113 -3.136 9.018 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.126 -2.710 11.435 1.00 0.32 C ATOM 0 H ALA B 8 1.678 -4.175 10.517 1.00 0.29 H new ATOM 0 HA ALA B 8 -1.148 -4.508 10.931 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -1.038 -2.126 11.558 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.190 -3.098 12.403 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.659 -2.074 11.025 1.00 0.32 H new ATOM 1754 N LEU B 9 -0.026 -3.119 8.202 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.484 -2.853 6.837 1.00 0.25 C ATOM 1756 C LEU B 9 -1.288 -4.061 6.379 1.00 0.25 C ATOM 1757 O LEU B 9 -2.342 -3.948 5.746 1.00 0.26 O ATOM 1758 CB LEU B 9 0.672 -2.619 5.849 1.00 0.26 C ATOM 1759 CG LEU B 9 1.972 -2.075 6.438 1.00 0.25 C ATOM 1760 CD1 LEU B 9 3.016 -1.890 5.349 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.749 -0.772 7.182 1.00 0.27 C ATOM 0 H LEU B 9 0.986 -3.112 8.331 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.078 -1.939 6.849 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.892 -3.563 5.351 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.329 -1.926 5.081 1.00 0.26 H new ATOM 0 HG LEU B 9 2.338 -2.809 7.156 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.935 -1.502 5.788 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.219 -2.849 4.872 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.644 -1.186 4.604 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.697 -0.417 7.586 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.345 -0.027 6.497 1.00 0.27 H new ATOM 0 HD23 LEU B 9 1.045 -0.935 7.998 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.777 -5.230 6.744 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.479 -6.490 6.494 1.00 0.28 C ATOM 1775 C ASP B 10 -2.778 -6.550 7.305 1.00 0.27 C ATOM 1776 O ASP B 10 -3.782 -7.117 6.865 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.578 -7.681 6.835 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.300 -9.010 6.742 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.535 -9.491 5.615 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -1.622 -9.589 7.800 1.00 1.15 O ATOM 0 H ASP B 10 0.122 -5.336 7.215 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.732 -6.541 5.435 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.277 -7.689 6.159 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.185 -7.556 7.844 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.764 -5.942 8.487 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.955 -5.856 9.313 1.00 0.27 C ATOM 1787 C VAL B 11 -4.964 -4.892 8.688 1.00 0.27 C ATOM 1788 O VAL B 11 -6.158 -4.984 8.942 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.611 -5.411 10.753 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.865 -5.170 11.571 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.736 -6.447 11.437 1.00 0.31 C ATOM 0 H VAL B 11 -1.938 -5.502 8.892 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.398 -6.850 9.366 1.00 0.27 H new ATOM 0 HB VAL B 11 -3.063 -4.471 10.685 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.588 -4.858 12.578 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.462 -4.388 11.101 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.448 -6.090 11.623 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.504 -6.116 12.449 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.264 -7.399 11.478 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.810 -6.570 10.875 1.00 0.31 H new ATOM 1801 N MET B 12 -4.482 -3.978 7.856 1.00 0.26 N ATOM 1802 CA MET B 12 -5.362 -3.078 7.118 1.00 0.29 C ATOM 1803 C MET B 12 -6.118 -3.867 6.049 1.00 0.29 C ATOM 1804 O MET B 12 -7.258 -3.553 5.712 1.00 0.33 O ATOM 1805 CB MET B 12 -4.566 -1.933 6.483 1.00 0.32 C ATOM 1806 CG MET B 12 -5.434 -0.799 5.968 1.00 0.98 C ATOM 1807 SD MET B 12 -6.365 0.026 7.270 1.00 2.23 S ATOM 1808 CE MET B 12 -6.992 1.451 6.389 1.00 2.75 C ATOM 0 H MET B 12 -3.488 -3.839 7.675 1.00 0.26 H new ATOM 0 HA MET B 12 -6.079 -2.638 7.812 1.00 0.29 H new ATOM 0 HB2 MET B 12 -3.866 -1.537 7.219 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.973 -2.328 5.658 1.00 0.32 H new ATOM 0 HG2 MET B 12 -4.804 -0.068 5.462 1.00 0.98 H new ATOM 0 HG3 MET B 12 -6.129 -1.190 5.225 1.00 0.98 H new ATOM 0 HE1 MET B 12 -6.518 2.354 6.774 1.00 2.75 H new ATOM 0 HE2 MET B 12 -6.770 1.349 5.327 1.00 2.75 H new ATOM 0 HE3 MET B 12 -8.071 1.520 6.529 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.474 -4.905 5.526 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.145 -5.859 4.643 1.00 0.31 C ATOM 1820 C VAL B 13 -7.302 -6.544 5.396 1.00 0.27 C ATOM 1821 O VAL B 13 -8.420 -6.698 4.875 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.147 -6.924 4.121 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.852 -7.973 3.278 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -4.022 -6.271 3.323 1.00 0.42 C ATOM 0 H VAL B 13 -4.489 -5.109 5.697 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.544 -5.315 3.786 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.713 -7.421 4.989 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.126 -8.706 2.927 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.610 -8.474 3.880 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.326 -7.493 2.422 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.335 -7.039 2.968 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.443 -5.738 2.471 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.484 -5.569 3.960 1.00 0.42 H new ATOM 1834 N SER B 14 -7.032 -6.924 6.640 1.00 0.26 N ATOM 1835 CA SER B 14 -8.054 -7.516 7.497 1.00 0.26 C ATOM 1836 C SER B 14 -9.119 -6.479 7.841 1.00 0.25 C ATOM 1837 O SER B 14 -10.310 -6.792 7.916 1.00 0.25 O ATOM 1838 CB SER B 14 -7.413 -8.087 8.769 1.00 0.31 C ATOM 1839 OG SER B 14 -8.339 -8.845 9.529 1.00 1.18 O ATOM 0 H SER B 14 -6.115 -6.833 7.078 1.00 0.26 H new ATOM 0 HA SER B 14 -8.536 -8.334 6.961 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.564 -8.715 8.498 1.00 0.31 H new ATOM 0 HB3 SER B 14 -7.024 -7.271 9.378 1.00 0.31 H new ATOM 0 HG SER B 14 -8.858 -9.423 8.931 1.00 1.18 H new ATOM 1845 N THR B 15 -8.669 -5.247 8.030 1.00 0.28 N ATOM 1846 CA THR B 15 -9.540 -4.096 8.195 1.00 0.32 C ATOM 1847 C THR B 15 -10.598 -4.073 7.084 1.00 0.28 C ATOM 1848 O THR B 15 -11.787 -3.828 7.328 1.00 0.29 O ATOM 1849 CB THR B 15 -8.702 -2.807 8.148 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.852 -2.746 9.303 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.577 -1.574 8.082 1.00 0.93 C ATOM 0 H THR B 15 -7.676 -5.017 8.073 1.00 0.28 H new ATOM 0 HA THR B 15 -10.045 -4.163 9.159 1.00 0.32 H new ATOM 0 HB THR B 15 -8.095 -2.829 7.243 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.269 -3.533 9.322 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.949 -0.684 8.050 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.195 -1.614 7.185 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.218 -1.535 8.963 1.00 0.93 H new ATOM 1859 N PHE B 16 -10.148 -4.386 5.870 1.00 0.27 N ATOM 1860 CA PHE B 16 -11.006 -4.380 4.701 1.00 0.27 C ATOM 1861 C PHE B 16 -12.144 -5.366 4.818 1.00 0.29 C ATOM 1862 O PHE B 16 -13.303 -4.962 4.865 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.199 -4.686 3.443 1.00 0.34 C ATOM 1864 CG PHE B 16 -11.057 -4.873 2.223 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.489 -3.786 1.493 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -11.441 -6.139 1.820 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -12.287 -3.955 0.382 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -12.241 -6.313 0.713 1.00 2.27 C ATOM 1869 CZ PHE B 16 -12.665 -5.219 -0.007 1.00 2.36 C ATOM 0 H PHE B 16 -9.182 -4.649 5.676 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.434 -3.380 4.632 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.495 -3.873 3.264 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.610 -5.588 3.607 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -11.199 -2.791 1.795 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -11.110 -7.001 2.380 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -12.615 -3.095 -0.183 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -12.536 -7.307 0.410 1.00 2.27 H new ATOM 0 HZ PHE B 16 -13.293 -5.353 -0.875 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.829 -6.656 4.894 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.887 -7.666 4.834 1.00 0.40 C ATOM 1881 C HIS B 17 -13.809 -7.573 6.039 1.00 0.36 C ATOM 1882 O HIS B 17 -14.927 -8.088 6.018 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.334 -9.083 4.679 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.459 -9.555 5.800 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -11.948 -10.067 6.984 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -10.112 -9.614 5.898 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -10.939 -10.416 7.757 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -9.814 -10.154 7.120 1.00 2.20 N ATOM 0 H HIS B 17 -10.882 -7.021 4.994 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.471 -7.451 3.939 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -13.172 -9.773 4.578 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.766 -9.134 3.750 1.00 0.59 H new ATOM 0 HD1 HIS B 17 -12.935 -10.161 7.224 1.00 1.54 H new ATOM 0 HD2 HIS B 17 -9.402 -9.294 5.150 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.020 -10.844 8.745 1.00 2.03 H new ATOM 1897 N LYS B 18 -13.337 -6.899 7.076 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.157 -6.613 8.235 1.00 0.39 C ATOM 1899 C LYS B 18 -15.318 -5.709 7.847 1.00 0.37 C ATOM 1900 O LYS B 18 -16.470 -6.001 8.152 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.312 -5.949 9.319 1.00 0.43 C ATOM 1902 CG LYS B 18 -14.132 -5.412 10.482 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.260 -5.142 11.698 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.157 -4.141 11.398 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.271 -3.936 12.573 1.00 1.28 N ATOM 0 H LYS B 18 -12.384 -6.539 7.135 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.559 -7.549 8.623 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.588 -6.671 9.698 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.744 -5.131 8.876 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.634 -4.493 10.181 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.910 -6.130 10.742 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.880 -4.765 12.512 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.817 -6.077 12.041 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.566 -4.493 10.553 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.599 -3.189 11.104 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -10.530 -3.247 12.333 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -11.832 -3.577 13.372 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.831 -4.840 12.838 1.00 1.28 H new ATOM 1919 N TYR B 19 -15.005 -4.623 7.155 1.00 0.29 N ATOM 1920 CA TYR B 19 -16.015 -3.654 6.751 1.00 0.29 C ATOM 1921 C TYR B 19 -16.741 -4.074 5.483 1.00 0.33 C ATOM 1922 O TYR B 19 -17.901 -3.726 5.290 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.388 -2.283 6.571 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.303 -1.505 7.857 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.436 -1.891 8.865 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -16.099 -0.386 8.064 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -14.363 -1.185 10.044 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -16.027 0.328 9.241 1.00 1.26 C ATOM 1929 CZ TYR B 19 -15.158 -0.076 10.227 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.064 0.641 11.394 1.00 0.79 O ATOM 0 H TYR B 19 -14.057 -4.390 6.861 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.757 -3.609 7.548 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.387 -2.398 6.155 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -15.971 -1.715 5.846 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.808 -2.758 8.724 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -16.785 -0.070 7.291 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -13.684 -1.500 10.823 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -16.649 1.199 9.388 1.00 1.26 H new ATOM 0 HH TYR B 19 -14.151 0.984 11.495 1.00 0.79 H new ATOM 1940 N SER B 20 -16.065 -4.821 4.628 1.00 0.29 N ATOM 1941 CA SER B 20 -16.667 -5.279 3.391 1.00 0.32 C ATOM 1942 C SER B 20 -17.817 -6.222 3.690 1.00 0.40 C ATOM 1943 O SER B 20 -18.940 -6.011 3.245 1.00 0.60 O ATOM 1944 CB SER B 20 -15.616 -5.983 2.546 1.00 0.35 C ATOM 1945 OG SER B 20 -14.482 -5.159 2.391 1.00 0.86 O ATOM 0 H SER B 20 -15.101 -5.122 4.768 1.00 0.29 H new ATOM 0 HA SER B 20 -17.055 -4.422 2.840 1.00 0.32 H new ATOM 0 HB2 SER B 20 -15.330 -6.923 3.018 1.00 0.35 H new ATOM 0 HB3 SER B 20 -16.031 -6.230 1.569 1.00 0.35 H new ATOM 0 HG SER B 20 -13.890 -5.542 1.710 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.537 -7.226 4.508 1.00 0.37 N ATOM 1952 CA GLY B 21 -18.519 -8.254 4.775 1.00 0.43 C ATOM 1953 C GLY B 21 -19.519 -7.863 5.839 1.00 0.41 C ATOM 1954 O GLY B 21 -19.998 -8.709 6.595 1.00 0.46 O ATOM 0 H GLY B 21 -16.647 -7.346 4.991 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -19.052 -8.486 3.853 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -18.007 -9.165 5.085 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.820 -6.581 5.914 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.855 -6.100 6.806 1.00 0.46 C ATOM 1960 C LYS B 22 -22.169 -6.021 6.046 1.00 0.52 C ATOM 1961 O LYS B 22 -23.234 -6.343 6.572 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.498 -4.724 7.353 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.188 -4.678 8.113 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.027 -3.348 8.830 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.124 -2.182 7.863 1.00 0.49 C ATOM 1966 NZ LYS B 22 -19.581 -0.944 8.543 1.00 1.08 N ATOM 0 H LYS B 22 -19.361 -5.853 5.366 1.00 0.41 H new ATOM 0 HA LYS B 22 -20.949 -6.790 7.644 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.449 -4.018 6.524 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.299 -4.388 8.012 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.153 -5.493 8.836 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.357 -4.828 7.424 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -19.795 -3.251 9.597 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.063 -3.322 9.339 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.151 -2.007 7.404 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -19.816 -2.432 7.059 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.272 -0.452 7.941 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -20.025 -1.190 9.451 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -18.766 -0.321 8.714 1.00 1.08 H new ATOM 1980 N GLU B 23 -22.070 -5.607 4.793 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.225 -5.449 3.932 1.00 0.54 C ATOM 1982 C GLU B 23 -22.817 -5.730 2.494 1.00 0.58 C ATOM 1983 O GLU B 23 -21.664 -5.513 2.129 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.788 -4.029 4.064 1.00 0.67 C ATOM 1985 CG GLU B 23 -25.062 -3.793 3.271 1.00 1.15 C ATOM 1986 CD GLU B 23 -26.145 -4.787 3.624 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.846 -4.574 4.633 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -26.285 -5.796 2.903 1.00 2.38 O ATOM 0 H GLU B 23 -21.184 -5.371 4.346 1.00 0.47 H new ATOM 0 HA GLU B 23 -24.003 -6.153 4.227 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -23.984 -3.823 5.116 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.031 -3.317 3.736 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.423 -2.782 3.459 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -24.843 -3.860 2.205 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.750 -6.220 1.690 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.449 -6.525 0.306 1.00 0.85 C ATOM 1997 C GLY B 24 -22.529 -7.720 0.166 1.00 0.79 C ATOM 1998 O GLY B 24 -22.867 -8.827 0.593 1.00 0.92 O ATOM 0 H GLY B 24 -24.711 -6.412 1.972 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -24.378 -6.720 -0.231 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.986 -5.656 -0.162 1.00 0.85 H new ATOM 2002 N ASP B 25 -21.361 -7.496 -0.419 1.00 0.71 N ATOM 2003 CA ASP B 25 -20.384 -8.561 -0.619 1.00 0.70 C ATOM 2004 C ASP B 25 -19.567 -8.763 0.657 1.00 0.73 C ATOM 2005 O ASP B 25 -19.777 -8.075 1.651 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.460 -8.204 -1.787 1.00 0.72 C ATOM 2007 CG ASP B 25 -18.807 -9.421 -2.419 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -17.732 -9.839 -1.949 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -19.372 -9.963 -3.393 1.00 1.64 O ATOM 0 H ASP B 25 -21.065 -6.583 -0.765 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.907 -9.489 -0.853 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -20.032 -7.670 -2.546 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.684 -7.524 -1.435 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.650 -9.719 0.638 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.795 -9.980 1.783 1.00 0.56 C ATOM 2016 C LYS B 26 -16.338 -9.776 1.404 1.00 0.49 C ATOM 2017 O LYS B 26 -15.430 -10.001 2.209 1.00 0.55 O ATOM 2018 CB LYS B 26 -18.022 -11.404 2.287 1.00 0.71 C ATOM 2019 CG LYS B 26 -18.334 -11.485 3.770 1.00 1.03 C ATOM 2020 CD LYS B 26 -17.105 -11.254 4.647 1.00 0.70 C ATOM 2021 CE LYS B 26 -16.298 -12.530 4.854 1.00 0.94 C ATOM 2022 NZ LYS B 26 -15.681 -13.033 3.601 1.00 1.56 N ATOM 0 H LYS B 26 -18.480 -10.328 -0.162 1.00 0.61 H new ATOM 0 HA LYS B 26 -18.045 -9.282 2.582 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.843 -11.851 1.727 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -17.133 -11.999 2.079 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -19.095 -10.745 4.017 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -18.756 -12.464 3.995 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.471 -10.495 4.188 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.420 -10.864 5.615 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -15.515 -12.343 5.589 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -16.947 -13.301 5.268 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -14.863 -13.632 3.833 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -16.380 -13.591 3.070 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -15.367 -12.229 3.021 1.00 1.56 H new ATOM 2036 N PHE B 27 -16.127 -9.364 0.165 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.797 -9.109 -0.356 1.00 0.43 C ATOM 2038 C PHE B 27 -14.797 -7.790 -1.122 1.00 0.39 C ATOM 2039 O PHE B 27 -13.835 -7.467 -1.820 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.355 -10.260 -1.275 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.576 -11.627 -0.682 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -13.712 -12.131 0.275 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -15.651 -12.404 -1.081 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -13.916 -13.385 0.820 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -15.860 -13.657 -0.540 1.00 1.59 C ATOM 2046 CZ PHE B 27 -14.990 -14.148 0.412 1.00 1.65 C ATOM 0 H PHE B 27 -16.875 -9.197 -0.508 1.00 0.45 H new ATOM 0 HA PHE B 27 -14.093 -9.042 0.473 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.899 -10.190 -2.217 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.297 -10.141 -1.508 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -12.870 -11.538 0.599 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -16.335 -12.025 -1.826 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -13.234 -13.767 1.565 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -16.702 -14.252 -0.861 1.00 1.59 H new ATOM 0 HZ PHE B 27 -15.150 -15.128 0.837 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.892 -7.037 -0.984 1.00 0.38 N ATOM 2057 CA LYS B 28 -16.052 -5.754 -1.661 1.00 0.36 C ATOM 2058 C LYS B 28 -16.834 -4.774 -0.792 1.00 0.34 C ATOM 2059 O LYS B 28 -17.749 -5.160 -0.065 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.752 -5.919 -3.015 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.957 -6.701 -4.047 1.00 0.49 C ATOM 2062 CD LYS B 28 -15.990 -6.014 -5.401 1.00 0.56 C ATOM 2063 CE LYS B 28 -15.190 -6.780 -6.440 1.00 0.86 C ATOM 2064 NZ LYS B 28 -14.667 -5.879 -7.503 1.00 1.70 N ATOM 0 H LYS B 28 -16.687 -7.301 -0.402 1.00 0.38 H new ATOM 0 HA LYS B 28 -15.053 -5.354 -1.836 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.708 -6.419 -2.857 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.972 -4.931 -3.418 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.924 -6.803 -3.713 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -16.364 -7.708 -4.137 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.023 -5.918 -5.735 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -15.591 -5.004 -5.306 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -14.359 -7.292 -5.955 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -15.819 -7.548 -6.890 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -13.872 -6.341 -7.989 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -15.422 -5.677 -8.189 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -14.341 -4.989 -7.075 1.00 1.70 H new ATOM 2078 N LEU B 29 -16.454 -3.505 -0.872 1.00 0.31 N ATOM 2079 CA LEU B 29 -17.086 -2.448 -0.098 1.00 0.28 C ATOM 2080 C LEU B 29 -18.051 -1.646 -0.943 1.00 0.30 C ATOM 2081 O LEU B 29 -17.642 -0.827 -1.761 1.00 0.33 O ATOM 2082 CB LEU B 29 -16.040 -1.480 0.434 1.00 0.26 C ATOM 2083 CG LEU B 29 -15.057 -2.047 1.434 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.790 -1.225 1.403 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.664 -2.029 2.824 1.00 0.25 C ATOM 0 H LEU B 29 -15.699 -3.181 -1.476 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.620 -2.933 0.719 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.479 -1.083 -0.412 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.555 -0.639 0.898 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.823 -3.079 1.174 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -13.077 -1.628 2.122 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -13.357 -1.261 0.403 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -14.020 -0.191 1.662 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.950 -2.439 3.538 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.907 -1.003 3.102 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.572 -2.632 2.832 1.00 0.25 H new ATOM 2097 N ASN B 30 -19.318 -1.843 -0.699 1.00 0.31 N ATOM 2098 CA ASN B 30 -20.347 -1.017 -1.290 1.00 0.35 C ATOM 2099 C ASN B 30 -20.274 0.357 -0.659 1.00 0.32 C ATOM 2100 O ASN B 30 -19.691 0.496 0.410 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.708 -1.665 -1.058 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.860 -2.145 0.370 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -22.465 -1.471 1.203 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -21.265 -3.295 0.670 1.00 0.42 N ATOM 0 H ASN B 30 -19.671 -2.578 -0.086 1.00 0.31 H new ATOM 0 HA ASN B 30 -20.201 -0.920 -2.366 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -22.497 -0.949 -1.288 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.833 -2.506 -1.740 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -21.299 -3.653 1.625 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -20.775 -3.820 -0.054 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.843 1.362 -1.311 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.681 2.753 -0.882 1.00 0.34 C ATOM 2113 C LYS B 31 -20.912 2.932 0.614 1.00 0.31 C ATOM 2114 O LYS B 31 -20.197 3.688 1.271 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.643 3.663 -1.626 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.958 4.719 -2.466 1.00 0.68 C ATOM 2117 CD LYS B 31 -21.975 5.647 -3.096 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.341 6.547 -4.134 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.355 7.403 -4.805 1.00 1.99 N ATOM 0 H LYS B 31 -21.423 1.244 -2.142 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.650 3.022 -1.111 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.279 3.055 -2.270 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -22.296 4.153 -0.904 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.270 5.293 -1.846 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -20.363 4.242 -3.245 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -22.767 5.059 -3.559 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.441 6.256 -2.322 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -20.588 7.177 -3.660 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -20.826 5.939 -4.878 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -22.209 7.373 -5.834 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.308 7.053 -4.580 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -22.258 8.383 -4.470 1.00 1.99 H new ATOM 2133 N SER B 32 -21.910 2.236 1.138 1.00 0.34 N ATOM 2134 CA SER B 32 -22.250 2.324 2.548 1.00 0.37 C ATOM 2135 C SER B 32 -21.056 1.923 3.407 1.00 0.34 C ATOM 2136 O SER B 32 -20.616 2.676 4.285 1.00 0.37 O ATOM 2137 CB SER B 32 -23.444 1.417 2.841 1.00 0.45 C ATOM 2138 OG SER B 32 -24.502 1.664 1.927 1.00 1.33 O ATOM 0 H SER B 32 -22.501 1.600 0.603 1.00 0.34 H new ATOM 0 HA SER B 32 -22.514 3.353 2.789 1.00 0.37 H new ATOM 0 HB2 SER B 32 -23.138 0.373 2.776 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.792 1.584 3.860 1.00 0.45 H new ATOM 0 HG SER B 32 -25.256 1.072 2.131 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.516 0.752 3.116 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.397 0.211 3.862 1.00 0.34 C ATOM 2146 C GLU B 33 -18.106 0.938 3.498 1.00 0.30 C ATOM 2147 O GLU B 33 -17.228 1.123 4.343 1.00 0.32 O ATOM 2148 CB GLU B 33 -19.272 -1.286 3.581 1.00 0.44 C ATOM 2149 CG GLU B 33 -20.446 -2.121 4.101 1.00 0.59 C ATOM 2150 CD GLU B 33 -21.409 -1.350 4.987 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -21.059 -1.061 6.143 1.00 2.32 O ATOM 2152 OE2 GLU B 33 -22.523 -1.029 4.529 1.00 2.15 O ATOM 0 H GLU B 33 -20.841 0.152 2.358 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.574 0.359 4.927 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -19.182 -1.436 2.505 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -18.351 -1.654 4.033 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.995 -2.525 3.251 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.054 -2.970 4.661 1.00 0.59 H new ATOM 2159 N LEU B 34 -18.006 1.346 2.234 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.903 2.160 1.753 1.00 0.33 C ATOM 2161 C LEU B 34 -16.772 3.411 2.610 1.00 0.29 C ATOM 2162 O LEU B 34 -15.695 3.722 3.111 1.00 0.30 O ATOM 2163 CB LEU B 34 -17.151 2.549 0.290 1.00 0.50 C ATOM 2164 CG LEU B 34 -16.062 3.404 -0.363 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.793 2.589 -0.525 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.533 3.955 -1.710 1.00 0.54 C ATOM 0 H LEU B 34 -18.693 1.118 1.516 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.977 1.589 1.819 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -17.270 1.637 -0.294 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -18.096 3.090 0.232 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.851 4.254 0.285 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -14.023 3.204 -0.990 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.448 2.254 0.453 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.995 1.722 -1.155 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.741 4.559 -2.153 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.775 3.128 -2.377 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -17.419 4.572 -1.561 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.892 4.111 2.781 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.938 5.305 3.615 1.00 0.29 C ATOM 2180 C LYS B 35 -17.408 5.037 5.013 1.00 0.29 C ATOM 2181 O LYS B 35 -16.505 5.727 5.484 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.363 5.838 3.735 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.818 6.656 2.542 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.243 7.143 2.718 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.562 8.288 1.772 1.00 0.70 C ATOM 2186 NZ LYS B 35 -22.950 8.784 1.956 1.00 1.29 N ATOM 0 H LYS B 35 -18.783 3.868 2.349 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.305 6.045 3.126 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -20.044 4.998 3.867 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.436 6.452 4.633 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.154 7.510 2.409 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.747 6.053 1.637 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.934 6.319 2.540 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.393 7.468 3.748 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -20.859 9.104 1.939 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.428 7.957 0.742 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.153 9.518 1.248 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -23.619 7.996 1.839 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.052 9.185 2.910 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.973 4.039 5.676 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.630 3.776 7.062 1.00 0.32 C ATOM 2202 C GLU B 36 -16.187 3.354 7.201 1.00 0.31 C ATOM 2203 O GLU B 36 -15.508 3.775 8.125 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.533 2.718 7.662 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.993 3.031 7.465 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.878 2.249 8.405 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.225 1.102 8.082 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.215 2.772 9.485 1.00 1.31 O ATOM 0 H GLU B 36 -18.665 3.404 5.279 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.774 4.708 7.608 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.307 1.752 7.210 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.324 2.628 8.728 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.157 4.098 7.618 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.274 2.809 6.436 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.720 2.521 6.292 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.330 2.121 6.308 1.00 0.26 C ATOM 2217 C LEU B 37 -13.444 3.343 6.105 1.00 0.27 C ATOM 2218 O LEU B 37 -12.492 3.556 6.835 1.00 0.31 O ATOM 2219 CB LEU B 37 -14.058 1.076 5.222 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.718 0.341 5.337 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.757 -0.958 4.565 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.580 1.208 4.824 1.00 0.50 C ATOM 0 H LEU B 37 -16.277 2.113 5.541 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.102 1.672 7.275 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.860 0.339 5.242 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.101 1.567 4.250 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.545 0.123 6.391 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.797 -1.466 4.658 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.545 -1.596 4.965 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.957 -0.751 3.514 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.639 0.665 4.916 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.755 1.456 3.777 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.528 2.125 5.411 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.777 4.151 5.122 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.982 5.323 4.806 1.00 0.29 C ATOM 2236 C LEU B 38 -12.933 6.307 5.970 1.00 0.30 C ATOM 2237 O LEU B 38 -11.890 6.868 6.271 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.540 5.997 3.562 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.724 5.777 2.295 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.352 6.399 2.452 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.602 4.296 1.976 1.00 0.43 C ATOM 0 H LEU B 38 -14.594 4.020 4.525 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.959 4.998 4.617 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.553 5.633 3.392 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.613 7.068 3.748 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.240 6.257 1.464 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.773 6.238 1.542 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.456 7.469 2.631 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.838 5.938 3.295 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.015 4.167 1.067 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.108 3.785 2.803 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.596 3.872 1.829 1.00 0.43 H new ATOM 2253 N THR B 39 -14.062 6.517 6.611 1.00 0.31 N ATOM 2254 CA THR B 39 -14.138 7.415 7.755 1.00 0.33 C ATOM 2255 C THR B 39 -13.469 6.835 9.006 1.00 0.34 C ATOM 2256 O THR B 39 -12.789 7.544 9.752 1.00 0.38 O ATOM 2257 CB THR B 39 -15.605 7.734 8.087 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.334 6.524 8.325 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.266 8.484 6.944 1.00 0.34 C ATOM 0 H THR B 39 -14.948 6.078 6.361 1.00 0.31 H new ATOM 0 HA THR B 39 -13.603 8.321 7.471 1.00 0.33 H new ATOM 0 HB THR B 39 -15.616 8.356 8.982 1.00 0.33 H new ATOM 0 HG1 THR B 39 -15.801 5.757 8.027 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.303 8.699 7.201 1.00 0.34 H new ATOM 0 HG22 THR B 39 -15.735 9.419 6.767 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.235 7.873 6.042 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.673 5.549 9.225 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.273 4.887 10.464 1.00 0.36 C ATOM 2269 C ARG B 40 -11.886 4.268 10.387 1.00 0.40 C ATOM 2270 O ARG B 40 -11.163 4.242 11.384 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.320 3.830 10.809 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.549 4.407 11.488 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.708 3.428 11.453 1.00 0.56 C ATOM 2274 NE ARG B 40 -17.920 3.983 12.054 1.00 1.16 N ATOM 2275 CZ ARG B 40 -18.803 4.733 11.397 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -18.549 5.133 10.156 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -19.923 5.117 11.992 1.00 2.31 N ATOM 0 H ARG B 40 -14.121 4.929 8.551 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.218 5.641 11.249 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.624 3.317 9.896 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.870 3.081 11.461 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.312 4.657 12.522 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -15.838 5.335 10.994 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.913 3.147 10.420 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.427 2.517 11.981 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.100 3.783 13.038 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -17.675 4.866 9.703 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -19.228 5.707 9.656 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.110 4.838 12.955 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -20.598 5.691 11.487 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.521 3.770 9.223 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.242 3.109 9.051 1.00 0.46 C ATOM 2293 C GLU B 41 -9.261 4.031 8.349 1.00 0.54 C ATOM 2294 O GLU B 41 -8.076 3.739 8.278 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.408 1.833 8.224 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.665 1.025 8.532 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.823 0.652 9.988 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.267 -0.377 10.420 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -12.531 1.372 10.714 1.00 1.30 O ATOM 0 H GLU B 41 -12.093 3.810 8.380 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.857 2.853 10.038 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.416 2.101 7.168 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.537 1.198 8.385 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.537 1.599 8.219 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.652 0.113 7.935 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.764 5.128 7.806 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.902 6.148 7.223 1.00 0.41 C ATOM 2308 C LEU B 42 -9.284 7.561 7.702 1.00 0.37 C ATOM 2309 O LEU B 42 -9.541 8.455 6.887 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.939 6.050 5.693 1.00 0.44 C ATOM 2311 CG LEU B 42 -8.118 4.899 5.102 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -8.853 4.250 3.950 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.770 5.403 4.621 1.00 0.74 C ATOM 0 H LEU B 42 -10.761 5.336 7.756 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.882 5.967 7.561 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.976 5.939 5.375 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.576 6.989 5.274 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.967 4.158 5.887 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -8.251 3.436 3.547 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.806 3.856 4.302 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -9.032 4.990 3.170 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -6.199 4.573 4.204 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.918 6.163 3.854 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.223 5.835 5.459 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.324 7.779 9.043 1.00 0.40 N ATOM 2326 CA PRO B 43 -9.634 9.083 9.645 1.00 0.43 C ATOM 2327 C PRO B 43 -8.794 10.233 9.117 1.00 0.45 C ATOM 2328 O PRO B 43 -9.267 11.361 9.051 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.293 8.886 11.111 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.519 7.443 11.355 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.106 6.755 10.088 1.00 0.44 C ATOM 0 HA PRO B 43 -10.667 9.355 9.427 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.261 9.167 11.319 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -9.926 9.500 11.751 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -8.931 7.091 12.203 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -10.565 7.243 11.588 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.064 6.438 10.126 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.704 5.862 9.904 1.00 0.44 H new ATOM 2339 N SER B 44 -7.543 9.965 8.787 1.00 0.45 N ATOM 2340 CA SER B 44 -6.665 11.017 8.313 1.00 0.47 C ATOM 2341 C SER B 44 -7.000 11.337 6.875 1.00 0.44 C ATOM 2342 O SER B 44 -7.257 12.499 6.522 1.00 0.45 O ATOM 2343 CB SER B 44 -5.203 10.596 8.430 1.00 0.51 C ATOM 2344 OG SER B 44 -4.320 11.632 8.029 1.00 0.59 O ATOM 0 H SER B 44 -7.117 9.040 8.838 1.00 0.45 H new ATOM 0 HA SER B 44 -6.812 11.904 8.929 1.00 0.47 H new ATOM 0 HB2 SER B 44 -4.988 10.314 9.461 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.029 9.713 7.815 1.00 0.51 H new ATOM 0 HG SER B 44 -3.394 11.326 8.120 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.025 10.285 6.064 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.275 10.423 4.634 1.00 0.41 C ATOM 2352 C PHE B 45 -8.488 11.298 4.374 1.00 0.41 C ATOM 2353 O PHE B 45 -8.384 12.356 3.749 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.480 9.070 3.953 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.462 9.198 2.455 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.262 9.343 1.778 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -8.640 9.212 1.728 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -6.237 9.492 0.405 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -8.623 9.368 0.355 1.00 2.38 C ATOM 2360 CZ PHE B 45 -7.419 9.505 -0.307 1.00 2.40 C ATOM 0 H PHE B 45 -6.875 9.325 6.374 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.388 10.893 4.210 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.698 8.380 4.270 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.431 8.642 4.271 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.334 9.339 2.331 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -9.584 9.100 2.240 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -5.294 9.598 -0.110 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -9.550 9.383 -0.199 1.00 2.38 H new ATOM 0 HZ PHE B 45 -7.402 9.622 -1.380 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.637 10.862 4.855 1.00 0.45 N ATOM 2371 CA LEU B 46 -10.864 11.601 4.610 1.00 0.57 C ATOM 2372 C LEU B 46 -11.176 12.591 5.712 1.00 0.65 C ATOM 2373 O LEU B 46 -12.105 13.381 5.584 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.045 10.680 4.387 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.081 9.997 3.028 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.430 9.356 2.834 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.784 10.986 1.900 1.00 0.54 C ATOM 0 H LEU B 46 -9.748 10.013 5.410 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.691 12.167 3.694 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.040 9.913 5.162 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -12.963 11.254 4.513 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.306 9.231 2.997 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.463 8.864 1.862 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.599 8.619 3.619 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.206 10.120 2.881 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.817 10.466 0.942 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.529 11.781 1.908 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.793 11.416 2.045 1.00 0.54 H new ATOM 2389 N GLY B 47 -10.409 12.565 6.787 1.00 0.74 N ATOM 2390 CA GLY B 47 -10.544 13.600 7.791 1.00 0.90 C ATOM 2391 C GLY B 47 -10.279 14.947 7.174 1.00 0.89 C ATOM 2392 O GLY B 47 -10.770 15.978 7.634 1.00 0.99 O ATOM 0 H GLY B 47 -9.703 11.856 6.984 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -11.547 13.576 8.218 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -9.845 13.420 8.608 1.00 0.90 H new ATOM 2396 N LYS B 48 -9.486 14.916 6.113 1.00 0.79 N ATOM 2397 CA LYS B 48 -9.239 16.088 5.302 1.00 0.82 C ATOM 2398 C LYS B 48 -10.452 16.499 4.472 1.00 0.78 C ATOM 2399 O LYS B 48 -10.676 17.691 4.254 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.084 15.822 4.361 1.00 0.81 C ATOM 2401 CG LYS B 48 -6.721 15.936 5.020 1.00 1.08 C ATOM 2402 CD LYS B 48 -5.600 15.651 4.040 1.00 1.51 C ATOM 2403 CE LYS B 48 -5.584 14.191 3.610 1.00 2.27 C ATOM 2404 NZ LYS B 48 -4.478 13.905 2.659 1.00 3.17 N ATOM 0 H LYS B 48 -8.999 14.078 5.795 1.00 0.79 H new ATOM 0 HA LYS B 48 -9.009 16.902 5.989 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.192 14.822 3.941 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -8.135 16.524 3.529 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -6.598 16.938 5.432 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -6.661 15.238 5.855 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -5.714 16.287 3.162 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -4.644 15.906 4.497 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -5.480 13.555 4.489 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -6.537 13.939 3.145 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -4.502 12.901 2.391 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -4.590 14.493 1.809 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -3.567 14.121 3.111 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.243 15.531 4.019 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.312 15.830 3.076 1.00 0.81 C ATOM 2420 C ARG B 49 -13.331 14.699 2.983 1.00 0.74 C ATOM 2421 O ARG B 49 -13.265 13.848 2.097 1.00 1.00 O ATOM 2422 CB ARG B 49 -11.715 16.146 1.697 1.00 0.95 C ATOM 2423 CG ARG B 49 -12.696 16.789 0.732 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.252 15.787 -0.260 1.00 1.01 C ATOM 2425 NE ARG B 49 -14.281 16.376 -1.114 1.00 1.61 N ATOM 2426 CZ ARG B 49 -14.280 16.303 -2.446 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -13.269 15.722 -3.084 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -15.283 16.823 -3.141 1.00 2.50 N ATOM 0 H ARG B 49 -11.166 14.549 4.285 1.00 0.73 H new ATOM 0 HA ARG B 49 -12.849 16.705 3.444 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -10.860 16.810 1.826 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.338 15.223 1.255 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -13.516 17.238 1.293 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -12.199 17.596 0.193 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -12.442 15.403 -0.880 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -13.671 14.937 0.279 1.00 1.01 H new ATOM 0 HE ARG B 49 -15.048 16.874 -0.663 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -12.490 15.330 -2.555 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -13.272 15.668 -4.103 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -16.056 17.279 -2.657 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -15.281 16.767 -4.159 1.00 2.50 H new ATOM 2442 N THR B 50 -14.264 14.690 3.916 1.00 0.75 N ATOM 2443 CA THR B 50 -15.400 13.774 3.850 1.00 0.72 C ATOM 2444 C THR B 50 -16.616 14.437 3.211 1.00 0.82 C ATOM 2445 O THR B 50 -17.306 15.238 3.845 1.00 1.33 O ATOM 2446 CB THR B 50 -15.814 13.236 5.234 1.00 0.73 C ATOM 2447 OG1 THR B 50 -15.869 14.305 6.187 1.00 0.83 O ATOM 2448 CG2 THR B 50 -14.859 12.162 5.717 1.00 0.63 C ATOM 0 H THR B 50 -14.263 15.304 4.730 1.00 0.75 H new ATOM 0 HA THR B 50 -15.062 12.939 3.236 1.00 0.72 H new ATOM 0 HB THR B 50 -16.804 12.791 5.135 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.367 15.058 5.805 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.179 11.804 6.695 1.00 0.63 H new ATOM 0 HG22 THR B 50 -14.857 11.333 5.010 1.00 0.63 H new ATOM 0 HG23 THR B 50 -13.854 12.577 5.793 1.00 0.63 H new ATOM 2456 N ASP B 51 -16.865 14.105 1.956 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.068 14.549 1.262 1.00 0.61 C ATOM 2458 C ASP B 51 -18.723 13.355 0.594 1.00 0.58 C ATOM 2459 O ASP B 51 -18.032 12.412 0.215 1.00 0.54 O ATOM 2460 CB ASP B 51 -17.747 15.608 0.195 1.00 0.68 C ATOM 2461 CG ASP B 51 -17.319 16.941 0.776 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -18.167 17.636 1.376 1.00 1.77 O ATOM 2463 OD2 ASP B 51 -16.135 17.309 0.621 1.00 2.01 O ATOM 0 H ASP B 51 -16.246 13.524 1.390 1.00 0.57 H new ATOM 0 HA ASP B 51 -18.738 14.997 1.995 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -16.955 15.232 -0.452 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -18.626 15.759 -0.432 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.040 13.381 0.444 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.736 12.308 -0.262 1.00 0.71 C ATOM 2470 C GLU B 52 -20.251 12.241 -1.697 1.00 0.66 C ATOM 2471 O GLU B 52 -20.115 11.161 -2.276 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.247 12.513 -0.226 1.00 0.87 C ATOM 2473 CG GLU B 52 -22.814 12.443 1.174 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.326 12.480 1.199 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -24.949 11.407 1.072 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -24.901 13.575 1.358 1.00 1.90 O ATOM 0 H GLU B 52 -20.645 14.123 0.796 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.514 11.366 0.240 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.488 13.482 -0.663 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.727 11.756 -0.846 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -22.470 11.527 1.655 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.425 13.276 1.760 1.00 0.95 H new ATOM 2483 N ALA B 53 -19.980 13.409 -2.254 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.381 13.511 -3.574 1.00 0.76 C ATOM 2485 C ALA B 53 -17.979 12.911 -3.565 1.00 0.66 C ATOM 2486 O ALA B 53 -17.570 12.246 -4.516 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.336 14.962 -4.024 1.00 0.91 C ATOM 0 H ALA B 53 -20.167 14.307 -1.808 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.994 12.950 -4.280 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -18.885 15.022 -5.014 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.349 15.363 -4.062 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -18.742 15.543 -3.319 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.254 13.134 -2.473 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.909 12.595 -2.323 1.00 0.58 C ATOM 2495 C ALA B 54 -15.942 11.079 -2.290 1.00 0.48 C ATOM 2496 O ALA B 54 -15.111 10.430 -2.905 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.249 13.127 -1.064 1.00 0.64 C ATOM 0 H ALA B 54 -17.577 13.686 -1.678 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.322 12.916 -3.184 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.246 12.710 -0.975 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.186 14.214 -1.117 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -15.840 12.840 -0.194 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.902 10.526 -1.557 1.00 0.46 N ATOM 2504 CA PHE B 55 -17.102 9.082 -1.518 1.00 0.42 C ATOM 2505 C PHE B 55 -17.473 8.546 -2.893 1.00 0.44 C ATOM 2506 O PHE B 55 -16.976 7.511 -3.318 1.00 0.45 O ATOM 2507 CB PHE B 55 -18.196 8.718 -0.519 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.783 8.886 0.916 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.850 8.036 1.484 1.00 1.87 C ATOM 2510 CD2 PHE B 55 -18.326 9.893 1.695 1.00 1.97 C ATOM 2511 CE1 PHE B 55 -16.470 8.190 2.804 1.00 2.69 C ATOM 2512 CE2 PHE B 55 -17.949 10.052 3.013 1.00 2.77 C ATOM 2513 CZ PHE B 55 -17.019 9.199 3.568 1.00 2.95 C ATOM 0 H PHE B 55 -17.555 11.057 -0.981 1.00 0.46 H new ATOM 0 HA PHE B 55 -16.163 8.627 -1.204 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -19.072 9.338 -0.711 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -18.496 7.683 -0.683 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.415 7.245 0.891 1.00 1.87 H new ATOM 0 HD2 PHE B 55 -19.055 10.564 1.265 1.00 1.97 H new ATOM 0 HE1 PHE B 55 -15.743 7.520 3.238 1.00 2.69 H new ATOM 0 HE2 PHE B 55 -18.381 10.843 3.608 1.00 2.77 H new ATOM 0 HZ PHE B 55 -16.721 9.320 4.599 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.362 9.257 -3.569 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.763 8.922 -4.931 1.00 0.54 C ATOM 2525 C GLN B 56 -17.554 8.871 -5.864 1.00 0.53 C ATOM 2526 O GLN B 56 -17.350 7.885 -6.578 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.781 9.960 -5.414 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.053 9.940 -6.907 1.00 0.76 C ATOM 2529 CD GLN B 56 -20.706 8.661 -7.384 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.928 8.529 -7.358 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.901 7.718 -7.837 1.00 0.87 N ATOM 0 H GLN B 56 -18.827 10.083 -3.191 1.00 0.48 H new ATOM 0 HA GLN B 56 -19.218 7.932 -4.940 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.721 9.799 -4.886 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -19.426 10.953 -5.137 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.694 10.783 -7.163 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -19.113 10.080 -7.441 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.892 7.868 -7.841 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -20.288 6.840 -8.183 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.753 9.928 -5.848 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.568 9.988 -6.688 1.00 0.51 C ATOM 2542 C LYS B 57 -14.543 8.945 -6.259 1.00 0.47 C ATOM 2543 O LYS B 57 -13.975 8.249 -7.098 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.950 11.389 -6.662 1.00 0.55 C ATOM 2545 CG LYS B 57 -15.308 12.232 -7.880 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.796 12.538 -7.953 1.00 1.00 C ATOM 2547 CE LYS B 57 -17.170 13.742 -7.100 1.00 0.86 C ATOM 2548 NZ LYS B 57 -16.530 14.994 -7.588 1.00 1.60 N ATOM 0 H LYS B 57 -16.903 10.751 -5.265 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.873 9.767 -7.711 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.280 11.907 -5.761 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.866 11.298 -6.598 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.748 13.167 -7.849 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -15.002 11.707 -8.785 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -17.078 12.725 -8.989 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -17.362 11.668 -7.621 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -18.253 13.865 -7.102 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.871 13.561 -6.067 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -17.089 15.814 -7.276 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -15.567 15.065 -7.202 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -16.486 14.979 -8.627 1.00 1.60 H new ATOM 2562 N LEU B 58 -14.331 8.827 -4.951 1.00 0.45 N ATOM 2563 CA LEU B 58 -13.380 7.871 -4.403 1.00 0.43 C ATOM 2564 C LEU B 58 -13.754 6.462 -4.805 1.00 0.42 C ATOM 2565 O LEU B 58 -12.896 5.670 -5.185 1.00 0.41 O ATOM 2566 CB LEU B 58 -13.337 7.956 -2.882 1.00 0.43 C ATOM 2567 CG LEU B 58 -12.127 7.287 -2.240 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.837 7.893 -2.770 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -12.199 7.423 -0.735 1.00 0.40 C ATOM 0 H LEU B 58 -14.811 9.388 -4.247 1.00 0.45 H new ATOM 0 HA LEU B 58 -12.397 8.118 -4.804 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.352 9.006 -2.590 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -14.242 7.501 -2.481 1.00 0.43 H new ATOM 0 HG LEU B 58 -12.135 6.228 -2.497 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.985 7.402 -2.300 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.786 7.753 -3.850 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.814 8.958 -2.541 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.331 6.942 -0.284 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -12.210 8.479 -0.465 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -13.108 6.946 -0.370 1.00 0.40 H new ATOM 2581 N MET B 59 -15.039 6.158 -4.704 1.00 0.45 N ATOM 2582 CA MET B 59 -15.562 4.885 -5.151 1.00 0.48 C ATOM 2583 C MET B 59 -15.111 4.626 -6.573 1.00 0.48 C ATOM 2584 O MET B 59 -14.390 3.679 -6.830 1.00 0.48 O ATOM 2585 CB MET B 59 -17.087 4.873 -5.072 1.00 0.54 C ATOM 2586 CG MET B 59 -17.706 3.601 -5.610 1.00 0.57 C ATOM 2587 SD MET B 59 -19.504 3.592 -5.511 1.00 1.64 S ATOM 2588 CE MET B 59 -19.907 4.804 -6.760 1.00 2.39 C ATOM 0 H MET B 59 -15.741 6.785 -4.312 1.00 0.45 H new ATOM 0 HA MET B 59 -15.181 4.098 -4.501 1.00 0.48 H new ATOM 0 HB2 MET B 59 -17.391 5.005 -4.034 1.00 0.54 H new ATOM 0 HB3 MET B 59 -17.479 5.723 -5.630 1.00 0.54 H new ATOM 0 HG2 MET B 59 -17.405 3.469 -6.649 1.00 0.57 H new ATOM 0 HG3 MET B 59 -17.313 2.750 -5.054 1.00 0.57 H new ATOM 0 HE1 MET B 59 -20.965 4.728 -7.013 1.00 2.39 H new ATOM 0 HE2 MET B 59 -19.696 5.803 -6.379 1.00 2.39 H new ATOM 0 HE3 MET B 59 -19.307 4.621 -7.651 1.00 2.39 H new ATOM 2598 N SER B 60 -15.480 5.522 -7.470 1.00 0.49 N ATOM 2599 CA SER B 60 -15.133 5.397 -8.881 1.00 0.52 C ATOM 2600 C SER B 60 -13.610 5.338 -9.078 1.00 0.51 C ATOM 2601 O SER B 60 -13.128 4.838 -10.086 1.00 0.55 O ATOM 2602 CB SER B 60 -15.743 6.557 -9.677 1.00 0.55 C ATOM 2603 OG SER B 60 -15.459 6.451 -11.063 1.00 1.34 O ATOM 0 H SER B 60 -16.026 6.354 -7.247 1.00 0.49 H new ATOM 0 HA SER B 60 -15.547 4.460 -9.254 1.00 0.52 H new ATOM 0 HB2 SER B 60 -16.823 6.573 -9.527 1.00 0.55 H new ATOM 0 HB3 SER B 60 -15.355 7.502 -9.298 1.00 0.55 H new ATOM 0 HG SER B 60 -15.864 7.206 -11.539 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.857 5.863 -8.121 1.00 0.48 N ATOM 2610 CA ASN B 61 -11.400 5.842 -8.206 1.00 0.50 C ATOM 2611 C ASN B 61 -10.855 4.441 -7.977 1.00 0.49 C ATOM 2612 O ASN B 61 -9.986 3.967 -8.710 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.760 6.786 -7.176 1.00 0.49 C ATOM 2614 CG ASN B 61 -11.007 8.252 -7.462 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -11.153 8.656 -8.616 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -11.047 9.067 -6.416 1.00 0.57 N ATOM 0 H ASN B 61 -13.227 6.307 -7.280 1.00 0.48 H new ATOM 0 HA ASN B 61 -11.145 6.177 -9.211 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -11.148 6.547 -6.186 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.685 6.606 -7.149 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -11.203 10.066 -6.553 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.922 8.695 -5.475 1.00 0.57 H new ATOM 2623 N LEU B 62 -11.371 3.788 -6.951 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.857 2.495 -6.520 1.00 0.43 C ATOM 2625 C LEU B 62 -11.624 1.383 -7.210 1.00 0.48 C ATOM 2626 O LEU B 62 -11.041 0.446 -7.747 1.00 0.55 O ATOM 2627 CB LEU B 62 -11.017 2.364 -5.006 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.918 3.683 -4.237 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -11.165 3.465 -2.755 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -9.574 4.358 -4.482 1.00 0.35 C ATOM 0 H LEU B 62 -12.153 4.134 -6.395 1.00 0.44 H new ATOM 0 HA LEU B 62 -9.802 2.420 -6.783 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.984 1.907 -4.795 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -10.254 1.682 -4.631 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.695 4.351 -4.608 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -11.089 4.417 -2.230 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -12.162 3.049 -2.610 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -10.421 2.773 -2.360 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -9.530 5.293 -3.924 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.771 3.700 -4.151 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -9.459 4.565 -5.546 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.940 1.526 -7.173 1.00 0.48 N ATOM 2643 CA ASP B 63 -13.880 0.622 -7.821 1.00 0.53 C ATOM 2644 C ASP B 63 -13.687 0.683 -9.336 1.00 0.57 C ATOM 2645 O ASP B 63 -14.435 1.336 -10.060 1.00 0.62 O ATOM 2646 CB ASP B 63 -15.299 1.046 -7.398 1.00 0.56 C ATOM 2647 CG ASP B 63 -16.430 0.363 -8.133 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -16.512 -0.878 -8.102 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -17.279 1.078 -8.706 1.00 1.24 O ATOM 0 H ASP B 63 -13.396 2.293 -6.679 1.00 0.48 H new ATOM 0 HA ASP B 63 -13.715 -0.413 -7.521 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -15.414 0.853 -6.331 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -15.395 2.122 -7.540 1.00 0.56 H new ATOM 2654 N SER B 64 -12.649 0.007 -9.801 1.00 0.58 N ATOM 2655 CA SER B 64 -12.255 0.049 -11.193 1.00 0.64 C ATOM 2656 C SER B 64 -13.192 -0.815 -12.019 1.00 0.65 C ATOM 2657 O SER B 64 -13.466 -0.522 -13.182 1.00 0.75 O ATOM 2658 CB SER B 64 -10.806 -0.425 -11.340 1.00 0.72 C ATOM 2659 OG SER B 64 -10.306 -0.152 -12.637 1.00 1.38 O ATOM 0 H SER B 64 -12.057 -0.586 -9.220 1.00 0.58 H new ATOM 0 HA SER B 64 -12.319 1.074 -11.557 1.00 0.64 H new ATOM 0 HB2 SER B 64 -10.182 0.069 -10.595 1.00 0.72 H new ATOM 0 HB3 SER B 64 -10.749 -1.496 -11.144 1.00 0.72 H new ATOM 0 HG SER B 64 -9.379 -0.463 -12.703 1.00 1.38 H new ATOM 2665 N ASN B 65 -13.688 -1.881 -11.402 1.00 0.63 N ATOM 2666 CA ASN B 65 -14.686 -2.735 -12.040 1.00 0.72 C ATOM 2667 C ASN B 65 -16.046 -2.034 -12.088 1.00 0.69 C ATOM 2668 O ASN B 65 -16.988 -2.508 -12.726 1.00 0.77 O ATOM 2669 CB ASN B 65 -14.791 -4.094 -11.322 1.00 0.79 C ATOM 2670 CG ASN B 65 -15.600 -4.077 -10.029 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.246 -5.066 -9.686 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -15.545 -2.987 -9.286 1.00 1.16 N ATOM 0 H ASN B 65 -13.417 -2.175 -10.464 1.00 0.63 H new ATOM 0 HA ASN B 65 -14.365 -2.924 -13.064 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -15.240 -4.815 -12.005 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -13.785 -4.449 -11.099 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -16.047 -2.948 -8.399 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -15.000 -2.183 -9.599 1.00 1.16 H new ATOM 2679 N ARG B 66 -16.095 -0.880 -11.416 1.00 0.60 N ATOM 2680 CA ARG B 66 -17.268 -0.017 -11.341 1.00 0.60 C ATOM 2681 C ARG B 66 -18.533 -0.781 -10.988 1.00 0.60 C ATOM 2682 O ARG B 66 -19.600 -0.548 -11.559 1.00 0.69 O ATOM 2683 CB ARG B 66 -17.454 0.751 -12.635 1.00 0.67 C ATOM 2684 CG ARG B 66 -16.294 1.671 -12.975 1.00 0.70 C ATOM 2685 CD ARG B 66 -16.168 2.865 -12.025 1.00 0.70 C ATOM 2686 NE ARG B 66 -15.339 3.904 -12.633 1.00 0.78 N ATOM 2687 CZ ARG B 66 -14.010 3.855 -12.707 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -13.340 2.891 -12.091 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -13.352 4.796 -13.371 1.00 1.15 N ATOM 0 H ARG B 66 -15.297 -0.514 -10.897 1.00 0.60 H new ATOM 0 HA ARG B 66 -17.087 0.691 -10.532 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -17.594 0.042 -13.451 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -18.367 1.343 -12.567 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -15.367 1.098 -12.952 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -16.417 2.038 -13.994 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -17.156 3.264 -11.797 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -15.728 2.544 -11.081 1.00 0.70 H new ATOM 0 HE ARG B 66 -15.809 4.720 -13.026 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -13.842 2.182 -11.557 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -12.322 2.858 -12.151 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -13.864 5.554 -13.823 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -12.334 4.762 -13.430 1.00 1.15 H new ATOM 2703 N ASP B 67 -18.407 -1.672 -10.026 1.00 0.58 N ATOM 2704 CA ASP B 67 -19.544 -2.434 -9.529 1.00 0.61 C ATOM 2705 C ASP B 67 -20.124 -1.704 -8.327 1.00 0.56 C ATOM 2706 O ASP B 67 -21.141 -2.102 -7.754 1.00 0.57 O ATOM 2707 CB ASP B 67 -19.107 -3.851 -9.145 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.276 -4.788 -8.921 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.919 -5.192 -9.913 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.551 -5.147 -7.762 1.00 1.63 O ATOM 0 H ASP B 67 -17.523 -1.890 -9.567 1.00 0.58 H new ATOM 0 HA ASP B 67 -20.304 -2.521 -10.305 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.470 -4.255 -9.932 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.504 -3.807 -8.238 1.00 0.69 H new ATOM 2715 N ASN B 68 -19.441 -0.617 -7.973 1.00 0.53 N ATOM 2716 CA ASN B 68 -19.809 0.251 -6.860 1.00 0.51 C ATOM 2717 C ASN B 68 -19.580 -0.447 -5.534 1.00 0.46 C ATOM 2718 O ASN B 68 -20.212 -0.136 -4.523 1.00 0.47 O ATOM 2719 CB ASN B 68 -21.240 0.772 -6.995 1.00 0.58 C ATOM 2720 CG ASN B 68 -21.397 1.698 -8.191 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -22.493 1.858 -8.730 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -20.296 2.298 -8.637 1.00 0.66 N ATOM 0 H ASN B 68 -18.600 -0.310 -8.462 1.00 0.53 H new ATOM 0 HA ASN B 68 -19.158 1.125 -6.889 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.925 -0.070 -7.096 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -21.520 1.303 -6.085 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -20.344 2.913 -9.449 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -19.404 2.143 -8.166 1.00 0.66 H new ATOM 2729 N GLU B 69 -18.659 -1.396 -5.566 1.00 0.46 N ATOM 2730 CA GLU B 69 -18.126 -2.011 -4.372 1.00 0.42 C ATOM 2731 C GLU B 69 -16.629 -2.180 -4.562 1.00 0.40 C ATOM 2732 O GLU B 69 -16.192 -2.858 -5.492 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.765 -3.373 -4.074 1.00 0.46 C ATOM 2734 CG GLU B 69 -20.280 -3.360 -3.998 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.839 -4.633 -3.395 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -21.069 -5.601 -4.147 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -21.069 -4.666 -2.167 1.00 1.31 O ATOM 0 H GLU B 69 -18.260 -1.761 -6.431 1.00 0.46 H new ATOM 0 HA GLU B 69 -18.351 -1.367 -3.522 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -18.460 -4.079 -4.846 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -18.371 -3.745 -3.128 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.604 -2.506 -3.403 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.690 -3.225 -4.999 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.848 -1.558 -3.695 1.00 0.37 N ATOM 2745 CA VAL B 70 -14.398 -1.606 -3.819 1.00 0.36 C ATOM 2746 C VAL B 70 -13.850 -2.930 -3.314 1.00 0.35 C ATOM 2747 O VAL B 70 -14.075 -3.312 -2.171 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.721 -0.461 -3.046 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -12.220 -0.670 -3.008 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -14.050 0.876 -3.676 1.00 0.36 C ATOM 0 H VAL B 70 -16.190 -1.016 -2.901 1.00 0.37 H new ATOM 0 HA VAL B 70 -14.173 -1.497 -4.880 1.00 0.36 H new ATOM 0 HB VAL B 70 -14.101 -0.462 -2.025 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.753 0.147 -2.458 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.997 -1.615 -2.513 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.830 -0.692 -4.026 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -13.562 1.673 -3.115 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -13.696 0.889 -4.707 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -15.129 1.030 -3.660 1.00 0.36 H new ATOM 2760 N ASP B 71 -13.128 -3.616 -4.177 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.587 -4.927 -3.862 1.00 0.39 C ATOM 2762 C ASP B 71 -11.328 -4.848 -3.007 1.00 0.37 C ATOM 2763 O ASP B 71 -10.713 -3.797 -2.920 1.00 0.35 O ATOM 2764 CB ASP B 71 -12.269 -5.666 -5.156 1.00 0.45 C ATOM 2765 CG ASP B 71 -11.469 -6.915 -4.917 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -12.016 -7.860 -4.316 1.00 1.35 O ATOM 2767 OD2 ASP B 71 -10.274 -6.936 -5.275 1.00 1.42 O ATOM 0 H ASP B 71 -12.899 -3.284 -5.114 1.00 0.37 H new ATOM 0 HA ASP B 71 -13.342 -5.462 -3.286 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -13.199 -5.924 -5.662 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -11.716 -5.005 -5.823 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.970 -5.971 -2.381 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.710 -6.123 -1.649 1.00 0.44 C ATOM 2774 C PHE B 72 -8.557 -5.418 -2.362 1.00 0.40 C ATOM 2775 O PHE B 72 -7.831 -4.619 -1.772 1.00 0.42 O ATOM 2776 CB PHE B 72 -9.367 -7.611 -1.553 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.570 -8.238 -0.205 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -8.792 -7.859 0.875 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -10.523 -9.229 -0.025 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -8.963 -8.451 2.110 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -10.693 -9.826 1.208 1.00 2.18 C ATOM 2782 CZ PHE B 72 -9.912 -9.436 2.276 1.00 2.15 C ATOM 0 H PHE B 72 -11.552 -6.809 -2.368 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.840 -5.678 -0.662 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -9.972 -8.152 -2.280 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -8.325 -7.745 -1.843 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -8.043 -7.091 0.750 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -11.138 -9.537 -0.858 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -8.353 -8.142 2.946 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -11.437 -10.598 1.336 1.00 2.18 H new ATOM 0 HZ PHE B 72 -10.044 -9.902 3.241 1.00 2.15 H new ATOM 2792 N GLN B 73 -8.423 -5.709 -3.646 1.00 0.38 N ATOM 2793 CA GLN B 73 -7.315 -5.208 -4.445 1.00 0.37 C ATOM 2794 C GLN B 73 -7.531 -3.751 -4.806 1.00 0.36 C ATOM 2795 O GLN B 73 -6.609 -2.948 -4.727 1.00 0.36 O ATOM 2796 CB GLN B 73 -7.136 -6.047 -5.716 1.00 0.41 C ATOM 2797 CG GLN B 73 -6.070 -5.506 -6.661 1.00 0.50 C ATOM 2798 CD GLN B 73 -6.656 -4.821 -7.887 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.825 -5.439 -8.934 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.988 -3.544 -7.761 1.00 0.41 N ATOM 0 H GLN B 73 -9.077 -6.297 -4.163 1.00 0.38 H new ATOM 0 HA GLN B 73 -6.407 -5.288 -3.848 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.875 -7.067 -5.434 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -8.087 -6.096 -6.245 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -5.440 -4.798 -6.122 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -5.427 -6.325 -6.982 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -6.833 -3.062 -6.876 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -7.398 -3.044 -8.549 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.748 -3.414 -5.205 1.00 0.37 N ATOM 2810 CA GLU B 74 -9.089 -2.045 -5.561 1.00 0.39 C ATOM 2811 C GLU B 74 -8.906 -1.149 -4.336 1.00 0.38 C ATOM 2812 O GLU B 74 -8.558 0.029 -4.433 1.00 0.41 O ATOM 2813 CB GLU B 74 -10.530 -2.005 -6.088 1.00 0.44 C ATOM 2814 CG GLU B 74 -10.747 -2.920 -7.293 1.00 0.59 C ATOM 2815 CD GLU B 74 -12.188 -2.962 -7.783 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -13.062 -3.456 -7.039 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -12.442 -2.532 -8.932 1.00 2.18 O ATOM 0 H GLU B 74 -9.520 -4.075 -5.291 1.00 0.37 H new ATOM 0 HA GLU B 74 -8.433 -1.676 -6.349 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -11.212 -2.296 -5.289 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -10.782 -0.981 -6.365 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -10.105 -2.588 -8.109 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -10.433 -3.930 -7.031 1.00 0.59 H new ATOM 2824 N TYR B 75 -9.085 -1.768 -3.183 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.926 -1.134 -1.894 1.00 0.36 C ATOM 2826 C TYR B 75 -7.451 -1.013 -1.540 1.00 0.34 C ATOM 2827 O TYR B 75 -7.002 0.005 -1.017 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.641 -1.983 -0.850 1.00 0.43 C ATOM 2829 CG TYR B 75 -9.294 -1.618 0.572 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.846 -0.497 1.172 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -8.414 -2.396 1.315 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.533 -0.160 2.471 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -8.098 -2.066 2.615 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.661 -0.947 3.187 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.351 -0.617 4.482 1.00 2.33 O ATOM 0 H TYR B 75 -9.352 -2.750 -3.120 1.00 0.34 H new ATOM 0 HA TYR B 75 -9.353 -0.131 -1.922 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.717 -1.883 -0.989 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -9.394 -3.032 -1.017 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -10.532 0.122 0.613 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -7.971 -3.273 0.866 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.970 0.717 2.925 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.414 -2.681 3.181 1.00 2.09 H new ATOM 0 HH TYR B 75 -8.463 -1.403 5.056 1.00 2.33 H new ATOM 2845 N SER B 76 -6.707 -2.074 -1.812 1.00 0.35 N ATOM 2846 CA SER B 76 -5.281 -2.080 -1.571 1.00 0.36 C ATOM 2847 C SER B 76 -4.620 -1.016 -2.425 1.00 0.36 C ATOM 2848 O SER B 76 -3.822 -0.237 -1.931 1.00 0.41 O ATOM 2849 CB SER B 76 -4.694 -3.461 -1.868 1.00 0.41 C ATOM 2850 OG SER B 76 -3.284 -3.459 -1.756 1.00 1.21 O ATOM 0 H SER B 76 -7.073 -2.943 -2.201 1.00 0.35 H new ATOM 0 HA SER B 76 -5.092 -1.856 -0.521 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.114 -4.192 -1.178 1.00 0.41 H new ATOM 0 HB3 SER B 76 -4.980 -3.771 -2.873 1.00 0.41 H new ATOM 0 HG SER B 76 -2.892 -3.085 -2.573 1.00 1.21 H new ATOM 2856 N VAL B 77 -5.008 -0.963 -3.698 1.00 0.35 N ATOM 2857 CA VAL B 77 -4.496 0.034 -4.629 1.00 0.36 C ATOM 2858 C VAL B 77 -4.782 1.426 -4.101 1.00 0.33 C ATOM 2859 O VAL B 77 -3.985 2.344 -4.268 1.00 0.32 O ATOM 2860 CB VAL B 77 -5.124 -0.117 -6.030 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.701 1.026 -6.940 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.742 -1.452 -6.645 1.00 0.43 C ATOM 0 H VAL B 77 -5.683 -1.608 -4.109 1.00 0.35 H new ATOM 0 HA VAL B 77 -3.421 -0.120 -4.719 1.00 0.36 H new ATOM 0 HB VAL B 77 -6.208 -0.083 -5.920 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -5.157 0.897 -7.922 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -5.027 1.973 -6.510 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.616 1.028 -7.041 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -5.194 -1.540 -7.633 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -3.658 -1.514 -6.736 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -5.100 -2.261 -6.009 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.927 1.566 -3.461 1.00 0.32 N ATOM 2873 CA PHE B 78 -6.287 2.803 -2.800 1.00 0.29 C ATOM 2874 C PHE B 78 -5.245 3.180 -1.751 1.00 0.27 C ATOM 2875 O PHE B 78 -4.606 4.229 -1.854 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.653 2.652 -2.148 1.00 0.27 C ATOM 2877 CG PHE B 78 -8.065 3.843 -1.343 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.779 5.129 -1.775 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.739 3.674 -0.152 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -8.157 6.221 -1.030 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -9.122 4.761 0.595 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.830 6.038 0.158 1.00 0.37 C ATOM 0 H PHE B 78 -6.629 0.830 -3.385 1.00 0.32 H new ATOM 0 HA PHE B 78 -6.325 3.599 -3.543 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -8.398 2.471 -2.922 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.644 1.773 -1.503 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.253 5.275 -2.707 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.968 2.678 0.197 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.927 7.218 -1.375 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.652 4.617 1.525 1.00 1.19 H new ATOM 0 HZ PHE B 78 -9.129 6.892 0.747 1.00 0.37 H new ATOM 2892 N LEU B 79 -5.075 2.313 -0.755 1.00 0.27 N ATOM 2893 CA LEU B 79 -4.100 2.541 0.314 1.00 0.27 C ATOM 2894 C LEU B 79 -2.721 2.798 -0.275 1.00 0.31 C ATOM 2895 O LEU B 79 -1.988 3.691 0.154 1.00 0.33 O ATOM 2896 CB LEU B 79 -4.022 1.323 1.231 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.342 0.878 1.849 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.096 -0.274 2.800 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -6.034 2.030 2.571 1.00 0.30 C ATOM 0 H LEU B 79 -5.600 1.443 -0.664 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.423 3.411 0.886 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.608 0.489 0.664 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.320 1.541 2.036 1.00 0.29 H new ATOM 0 HG LEU B 79 -6.004 0.549 1.048 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.041 -0.590 3.241 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.653 -1.107 2.255 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.416 0.045 3.590 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.972 1.679 3.000 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.388 2.402 3.366 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.237 2.834 1.863 1.00 0.30 H new ATOM 2911 N SER B 80 -2.403 1.991 -1.267 1.00 0.36 N ATOM 2912 CA SER B 80 -1.168 2.082 -2.013 1.00 0.47 C ATOM 2913 C SER B 80 -0.975 3.484 -2.576 1.00 0.37 C ATOM 2914 O SER B 80 0.037 4.136 -2.321 1.00 0.38 O ATOM 2915 CB SER B 80 -1.223 1.075 -3.153 1.00 0.66 C ATOM 2916 OG SER B 80 -1.396 -0.246 -2.667 1.00 0.84 O ATOM 0 H SER B 80 -3.012 1.236 -1.583 1.00 0.36 H new ATOM 0 HA SER B 80 -0.329 1.867 -1.351 1.00 0.47 H new ATOM 0 HB2 SER B 80 -2.043 1.328 -3.825 1.00 0.66 H new ATOM 0 HB3 SER B 80 -0.304 1.133 -3.736 1.00 0.66 H new ATOM 0 HG SER B 80 -2.278 -0.327 -2.247 1.00 0.84 H new ATOM 2922 N SER B 81 -1.972 3.942 -3.323 1.00 0.33 N ATOM 2923 CA SER B 81 -1.932 5.248 -3.951 1.00 0.30 C ATOM 2924 C SER B 81 -1.739 6.338 -2.910 1.00 0.24 C ATOM 2925 O SER B 81 -1.040 7.306 -3.157 1.00 0.26 O ATOM 2926 CB SER B 81 -3.216 5.497 -4.745 1.00 0.37 C ATOM 2927 OG SER B 81 -3.410 4.491 -5.726 1.00 1.22 O ATOM 0 H SER B 81 -2.827 3.417 -3.508 1.00 0.33 H new ATOM 0 HA SER B 81 -1.085 5.272 -4.637 1.00 0.30 H new ATOM 0 HB2 SER B 81 -4.069 5.518 -4.067 1.00 0.37 H new ATOM 0 HB3 SER B 81 -3.167 6.474 -5.226 1.00 0.37 H new ATOM 0 HG SER B 81 -3.676 3.655 -5.289 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.345 6.165 -1.742 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.189 7.121 -0.653 1.00 0.23 C ATOM 2935 C ILE B 82 -0.719 7.305 -0.301 1.00 0.27 C ATOM 2936 O ILE B 82 -0.198 8.424 -0.305 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.928 6.670 0.617 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.413 6.440 0.316 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.733 7.706 1.717 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.205 5.927 1.499 1.00 0.23 C ATOM 0 H ILE B 82 -2.949 5.372 -1.525 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.617 8.060 -1.005 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.514 5.723 0.963 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.854 7.376 -0.026 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.502 5.728 -0.505 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.258 7.385 2.617 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.670 7.810 1.934 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.132 8.666 1.388 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.246 5.789 1.208 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.791 4.974 1.828 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.149 6.648 2.315 1.00 0.23 H new ATOM 2952 N ALA B 83 -0.056 6.193 -0.004 1.00 0.30 N ATOM 2953 CA ALA B 83 1.345 6.218 0.384 1.00 0.36 C ATOM 2954 C ALA B 83 2.220 6.727 -0.762 1.00 0.37 C ATOM 2955 O ALA B 83 3.222 7.402 -0.533 1.00 0.42 O ATOM 2956 CB ALA B 83 1.788 4.836 0.847 1.00 0.40 C ATOM 0 H ALA B 83 -0.470 5.261 -0.025 1.00 0.30 H new ATOM 0 HA ALA B 83 1.463 6.910 1.218 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.839 4.868 1.135 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.187 4.529 1.703 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.656 4.121 0.035 1.00 0.40 H new ATOM 2962 N MET B 84 1.828 6.416 -1.996 1.00 0.37 N ATOM 2963 CA MET B 84 2.542 6.921 -3.169 1.00 0.43 C ATOM 2964 C MET B 84 2.418 8.440 -3.255 1.00 0.34 C ATOM 2965 O MET B 84 3.416 9.157 -3.302 1.00 0.37 O ATOM 2966 CB MET B 84 1.997 6.314 -4.465 1.00 0.64 C ATOM 2967 CG MET B 84 2.029 4.799 -4.513 1.00 0.44 C ATOM 2968 SD MET B 84 1.451 4.153 -6.095 1.00 1.00 S ATOM 2969 CE MET B 84 1.405 2.399 -5.743 1.00 1.26 C ATOM 0 H MET B 84 1.027 5.822 -2.210 1.00 0.37 H new ATOM 0 HA MET B 84 3.587 6.634 -3.055 1.00 0.43 H new ATOM 0 HB2 MET B 84 0.968 6.647 -4.603 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.573 6.704 -5.304 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.047 4.453 -4.332 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.409 4.399 -3.711 1.00 0.44 H new ATOM 0 HE1 MET B 84 1.631 1.840 -6.651 1.00 1.26 H new ATOM 0 HE2 MET B 84 2.144 2.162 -4.977 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.412 2.125 -5.386 1.00 1.26 H new ATOM 2979 N MET B 85 1.176 8.915 -3.263 1.00 0.33 N ATOM 2980 CA MET B 85 0.882 10.339 -3.389 1.00 0.35 C ATOM 2981 C MET B 85 1.626 11.135 -2.330 1.00 0.35 C ATOM 2982 O MET B 85 2.288 12.124 -2.638 1.00 0.42 O ATOM 2983 CB MET B 85 -0.623 10.593 -3.252 1.00 0.39 C ATOM 2984 CG MET B 85 -1.473 9.924 -4.321 1.00 1.36 C ATOM 2985 SD MET B 85 -1.295 10.674 -5.948 1.00 2.66 S ATOM 2986 CE MET B 85 -2.460 9.693 -6.894 1.00 3.35 C ATOM 0 H MET B 85 0.347 8.326 -3.183 1.00 0.33 H new ATOM 0 HA MET B 85 1.211 10.663 -4.376 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.951 10.243 -2.273 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.802 11.668 -3.283 1.00 0.39 H new ATOM 0 HG2 MET B 85 -1.202 8.870 -4.383 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.520 9.967 -4.022 1.00 1.36 H new ATOM 0 HE1 MET B 85 -2.468 10.035 -7.929 1.00 3.35 H new ATOM 0 HE2 MET B 85 -2.164 8.644 -6.861 1.00 3.35 H new ATOM 0 HE3 MET B 85 -3.458 9.802 -6.468 1.00 3.35 H new ATOM 2996 N SER B 86 1.529 10.686 -1.084 1.00 0.33 N ATOM 2997 CA SER B 86 2.159 11.381 0.026 1.00 0.39 C ATOM 2998 C SER B 86 3.690 11.385 -0.086 1.00 0.43 C ATOM 2999 O SER B 86 4.340 12.327 0.368 1.00 0.57 O ATOM 3000 CB SER B 86 1.713 10.765 1.353 1.00 0.43 C ATOM 3001 OG SER B 86 1.799 9.352 1.318 1.00 1.25 O ATOM 0 H SER B 86 1.019 9.843 -0.820 1.00 0.33 H new ATOM 0 HA SER B 86 1.837 12.422 -0.011 1.00 0.39 H new ATOM 0 HB2 SER B 86 2.334 11.150 2.162 1.00 0.43 H new ATOM 0 HB3 SER B 86 0.687 11.064 1.569 1.00 0.43 H new ATOM 0 HG SER B 86 1.011 8.987 0.863 1.00 1.25 H new ATOM 3007 N ASN B 87 4.273 10.354 -0.695 1.00 0.40 N ATOM 3008 CA ASN B 87 5.727 10.291 -0.811 1.00 0.51 C ATOM 3009 C ASN B 87 6.218 11.127 -1.997 1.00 0.44 C ATOM 3010 O ASN B 87 7.240 11.825 -1.913 1.00 0.53 O ATOM 3011 CB ASN B 87 6.225 8.835 -0.904 1.00 0.69 C ATOM 3012 CG ASN B 87 6.234 8.236 -2.307 1.00 1.43 C ATOM 3013 OD1 ASN B 87 5.467 7.330 -2.614 1.00 2.36 O ATOM 3014 ND2 ASN B 87 7.102 8.746 -3.168 1.00 1.49 N ATOM 0 H ASN B 87 3.773 9.567 -1.108 1.00 0.40 H new ATOM 0 HA ASN B 87 6.151 10.719 0.098 1.00 0.51 H new ATOM 0 HB2 ASN B 87 7.237 8.788 -0.501 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.598 8.213 -0.265 1.00 0.69 H new ATOM 0 HD21 ASN B 87 7.147 8.385 -4.121 1.00 1.49 H new ATOM 0 HD22 ASN B 87 7.725 9.500 -2.878 1.00 1.49 H new ATOM 3021 N GLU B 88 5.504 11.044 -3.110 1.00 0.37 N ATOM 3022 CA GLU B 88 5.803 11.877 -4.262 1.00 0.42 C ATOM 3023 C GLU B 88 5.656 13.336 -3.873 1.00 0.51 C ATOM 3024 O GLU B 88 6.414 14.199 -4.316 1.00 0.66 O ATOM 3025 CB GLU B 88 4.873 11.535 -5.423 1.00 0.48 C ATOM 3026 CG GLU B 88 4.987 10.091 -5.875 1.00 0.51 C ATOM 3027 CD GLU B 88 4.039 9.758 -7.005 1.00 0.91 C ATOM 3028 OE1 GLU B 88 2.860 9.463 -6.737 1.00 1.74 O ATOM 3029 OE2 GLU B 88 4.474 9.789 -8.175 1.00 1.49 O ATOM 0 H GLU B 88 4.716 10.410 -3.238 1.00 0.37 H new ATOM 0 HA GLU B 88 6.827 11.693 -4.586 1.00 0.42 H new ATOM 0 HB2 GLU B 88 3.843 11.736 -5.127 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.096 12.191 -6.264 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.010 9.894 -6.194 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.785 9.433 -5.030 1.00 0.51 H new ATOM 3036 N PHE B 89 4.689 13.589 -3.010 1.00 0.50 N ATOM 3037 CA PHE B 89 4.464 14.916 -2.478 1.00 0.63 C ATOM 3038 C PHE B 89 5.427 15.202 -1.322 1.00 0.66 C ATOM 3039 O PHE B 89 5.580 16.351 -0.905 1.00 0.79 O ATOM 3040 CB PHE B 89 3.012 15.051 -2.019 1.00 0.73 C ATOM 3041 CG PHE B 89 2.647 16.431 -1.550 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.606 17.490 -2.443 1.00 1.70 C ATOM 3043 CD2 PHE B 89 2.354 16.669 -0.219 1.00 2.16 C ATOM 3044 CE1 PHE B 89 2.279 18.761 -2.015 1.00 2.37 C ATOM 3045 CE2 PHE B 89 2.027 17.939 0.215 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.990 18.986 -0.684 1.00 2.70 C ATOM 0 H PHE B 89 4.041 12.882 -2.661 1.00 0.50 H new ATOM 0 HA PHE B 89 4.653 15.649 -3.263 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.354 14.772 -2.842 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.830 14.343 -1.210 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.832 17.319 -3.485 1.00 1.70 H new ATOM 0 HD2 PHE B 89 2.381 15.853 0.488 1.00 2.16 H new ATOM 0 HE1 PHE B 89 2.249 19.578 -2.720 1.00 2.37 H new ATOM 0 HE2 PHE B 89 1.801 18.113 1.257 1.00 2.79 H new ATOM 0 HZ PHE B 89 1.735 19.980 -0.346 1.00 2.70 H new ATOM 3056 N PHE B 90 6.091 14.161 -0.813 1.00 0.60 N ATOM 3057 CA PHE B 90 7.090 14.350 0.233 1.00 0.68 C ATOM 3058 C PHE B 90 8.215 15.206 -0.324 1.00 0.68 C ATOM 3059 O PHE B 90 8.694 16.132 0.333 1.00 0.79 O ATOM 3060 CB PHE B 90 7.627 13.005 0.739 1.00 0.70 C ATOM 3061 CG PHE B 90 8.523 13.108 1.941 1.00 0.85 C ATOM 3062 CD1 PHE B 90 9.890 13.276 1.796 1.00 1.53 C ATOM 3063 CD2 PHE B 90 7.995 13.030 3.219 1.00 1.46 C ATOM 3064 CE1 PHE B 90 10.712 13.364 2.902 1.00 1.64 C ATOM 3065 CE2 PHE B 90 8.811 13.118 4.329 1.00 1.59 C ATOM 3066 CZ PHE B 90 10.171 13.285 4.171 1.00 1.21 C ATOM 0 H PHE B 90 5.956 13.193 -1.105 1.00 0.60 H new ATOM 0 HA PHE B 90 6.631 14.851 1.086 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.783 12.360 0.984 1.00 0.70 H new ATOM 0 HB3 PHE B 90 8.176 12.520 -0.068 1.00 0.70 H new ATOM 0 HD1 PHE B 90 10.318 13.339 0.806 1.00 1.53 H new ATOM 0 HD2 PHE B 90 6.931 12.899 3.349 1.00 1.46 H new ATOM 0 HE1 PHE B 90 11.777 13.494 2.775 1.00 1.64 H new ATOM 0 HE2 PHE B 90 8.385 13.056 5.320 1.00 1.59 H new ATOM 0 HZ PHE B 90 10.812 13.354 5.038 1.00 1.21 H new ATOM 3076 N GLU B 91 8.621 14.898 -1.553 1.00 0.61 N ATOM 3077 CA GLU B 91 9.516 15.786 -2.292 1.00 0.72 C ATOM 3078 C GLU B 91 8.782 17.050 -2.693 1.00 0.77 C ATOM 3079 O GLU B 91 9.300 18.159 -2.573 1.00 0.95 O ATOM 3080 CB GLU B 91 10.049 15.112 -3.549 1.00 0.82 C ATOM 3081 CG GLU B 91 10.827 13.857 -3.264 1.00 0.92 C ATOM 3082 CD GLU B 91 12.038 14.109 -2.398 1.00 1.57 C ATOM 3083 OE1 GLU B 91 11.889 14.138 -1.165 1.00 2.25 O ATOM 3084 OE2 GLU B 91 13.143 14.278 -2.956 1.00 2.22 O ATOM 0 H GLU B 91 8.349 14.052 -2.054 1.00 0.61 H new ATOM 0 HA GLU B 91 10.353 16.028 -1.637 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.214 14.872 -4.207 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.687 15.813 -4.087 1.00 0.82 H new ATOM 0 HG2 GLU B 91 10.176 13.135 -2.771 1.00 0.92 H new ATOM 0 HG3 GLU B 91 11.145 13.409 -4.206 1.00 0.92 H new ATOM 3091 N GLY B 92 7.564 16.860 -3.165 1.00 0.71 N ATOM 3092 CA GLY B 92 6.774 17.957 -3.667 1.00 0.82 C ATOM 3093 C GLY B 92 6.331 17.686 -5.082 1.00 0.81 C ATOM 3094 O GLY B 92 5.270 18.132 -5.520 1.00 0.91 O ATOM 0 H GLY B 92 7.103 15.951 -3.209 1.00 0.71 H new ATOM 0 HA2 GLY B 92 5.903 18.107 -3.029 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.356 18.878 -3.632 1.00 0.82 H new ATOM 3098 N PHE B 93 7.161 16.940 -5.791 1.00 0.76 N ATOM 3099 CA PHE B 93 6.870 16.521 -7.147 1.00 0.78 C ATOM 3100 C PHE B 93 7.593 15.210 -7.429 1.00 0.69 C ATOM 3101 O PHE B 93 8.769 15.062 -7.091 1.00 0.82 O ATOM 3102 CB PHE B 93 7.303 17.602 -8.148 1.00 1.00 C ATOM 3103 CG PHE B 93 7.025 17.249 -9.584 1.00 1.67 C ATOM 3104 CD1 PHE B 93 5.753 17.396 -10.113 1.00 2.58 C ATOM 3105 CD2 PHE B 93 8.036 16.766 -10.401 1.00 2.41 C ATOM 3106 CE1 PHE B 93 5.495 17.068 -11.430 1.00 3.59 C ATOM 3107 CE2 PHE B 93 7.782 16.438 -11.719 1.00 3.46 C ATOM 3108 CZ PHE B 93 6.510 16.589 -12.234 1.00 3.90 C ATOM 0 H PHE B 93 8.059 16.608 -5.439 1.00 0.76 H new ATOM 0 HA PHE B 93 5.796 16.372 -7.258 1.00 0.78 H new ATOM 0 HB2 PHE B 93 6.790 18.533 -7.907 1.00 1.00 H new ATOM 0 HB3 PHE B 93 8.371 17.786 -8.029 1.00 1.00 H new ATOM 0 HD1 PHE B 93 4.955 17.771 -9.489 1.00 2.58 H new ATOM 0 HD2 PHE B 93 9.033 16.645 -10.003 1.00 2.41 H new ATOM 0 HE1 PHE B 93 4.499 17.186 -11.831 1.00 3.59 H new ATOM 0 HE2 PHE B 93 8.578 16.064 -12.346 1.00 3.46 H new ATOM 0 HZ PHE B 93 6.309 16.333 -13.264 1.00 3.90 H new ATOM 3118 N PRO B 94 6.886 14.227 -8.005 1.00 0.64 N ATOM 3119 CA PRO B 94 7.472 12.935 -8.364 1.00 0.61 C ATOM 3120 C PRO B 94 8.610 13.066 -9.368 1.00 0.71 C ATOM 3121 O PRO B 94 8.390 13.213 -10.570 1.00 0.90 O ATOM 3122 CB PRO B 94 6.318 12.161 -8.991 1.00 0.65 C ATOM 3123 CG PRO B 94 5.292 13.184 -9.336 1.00 0.84 C ATOM 3124 CD PRO B 94 5.456 14.291 -8.334 1.00 0.83 C ATOM 0 HA PRO B 94 7.906 12.447 -7.491 1.00 0.61 H new ATOM 0 HB2 PRO B 94 6.645 11.619 -9.878 1.00 0.65 H new ATOM 0 HB3 PRO B 94 5.918 11.423 -8.296 1.00 0.65 H new ATOM 0 HG2 PRO B 94 5.435 13.553 -10.352 1.00 0.84 H new ATOM 0 HG3 PRO B 94 4.288 12.761 -9.289 1.00 0.84 H new ATOM 0 HD2 PRO B 94 5.181 15.259 -8.753 1.00 0.83 H new ATOM 0 HD3 PRO B 94 4.832 14.135 -7.454 1.00 0.83 H new ATOM 3132 N ASP B 95 9.824 13.004 -8.861 1.00 0.71 N ATOM 3133 CA ASP B 95 11.013 13.090 -9.690 1.00 0.87 C ATOM 3134 C ASP B 95 12.066 12.185 -9.083 1.00 0.84 C ATOM 3135 O ASP B 95 13.257 12.484 -9.042 1.00 0.96 O ATOM 3136 CB ASP B 95 11.508 14.535 -9.779 1.00 1.12 C ATOM 3137 CG ASP B 95 12.513 14.730 -10.893 1.00 1.70 C ATOM 3138 OD1 ASP B 95 12.125 14.643 -12.077 1.00 2.40 O ATOM 3139 OD2 ASP B 95 13.703 14.952 -10.598 1.00 2.16 O ATOM 0 H ASP B 95 10.016 12.893 -7.865 1.00 0.71 H new ATOM 0 HA ASP B 95 10.791 12.769 -10.708 1.00 0.87 H new ATOM 0 HB2 ASP B 95 10.658 15.199 -9.939 1.00 1.12 H new ATOM 0 HB3 ASP B 95 11.961 14.821 -8.830 1.00 1.12 H new ATOM 3144 N LYS B 96 11.574 11.070 -8.587 1.00 0.81 N ATOM 3145 CA LYS B 96 12.372 10.098 -7.868 1.00 0.86 C ATOM 3146 C LYS B 96 12.196 8.721 -8.488 1.00 0.83 C ATOM 3147 O LYS B 96 12.631 7.712 -7.945 1.00 0.94 O ATOM 3148 CB LYS B 96 11.915 10.070 -6.409 1.00 0.97 C ATOM 3149 CG LYS B 96 10.430 10.394 -6.233 1.00 0.93 C ATOM 3150 CD LYS B 96 9.854 9.894 -4.907 1.00 0.65 C ATOM 3151 CE LYS B 96 10.407 10.630 -3.693 1.00 0.84 C ATOM 3152 NZ LYS B 96 11.852 10.361 -3.455 1.00 1.85 N ATOM 0 H LYS B 96 10.592 10.808 -8.673 1.00 0.81 H new ATOM 0 HA LYS B 96 13.425 10.374 -7.923 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.116 9.083 -5.991 1.00 0.97 H new ATOM 0 HB3 LYS B 96 12.506 10.785 -5.837 1.00 0.97 H new ATOM 0 HG2 LYS B 96 10.291 11.473 -6.298 1.00 0.93 H new ATOM 0 HG3 LYS B 96 9.869 9.950 -7.055 1.00 0.93 H new ATOM 0 HD2 LYS B 96 8.770 10.003 -4.926 1.00 0.65 H new ATOM 0 HD3 LYS B 96 10.066 8.830 -4.805 1.00 0.65 H new ATOM 0 HE2 LYS B 96 10.260 11.702 -3.827 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.839 10.339 -2.809 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 12.026 10.277 -2.433 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 12.122 9.474 -3.926 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 12.419 11.144 -3.840 1.00 1.85 H new