USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 GLN : amide:sc= -2.92 K(o=-3.4,f=-0.63) USER MOD Set 1.2: B 82 THR OG1 : rot -92:sc= -0.454 USER MOD Set 2.1: A 82 THR OG1 : rot -99:sc= -0.344 USER MOD Set 2.2: B 71 GLN : amide:sc= -3.03 K(o=-3.4,f=-0.68) USER MOD Set 3.1: A 7 MET CE :methyl -148:sc= -15.4! (180deg=-17.1!) USER MOD Set 3.2: A 74 MET CE :methyl -150:sc= -4.93! (180deg=-6.73!) USER MOD Set 3.3: A 78 SER OG : rot 178:sc= 1.02 USER MOD Set 3.4: A 81 THR OG1 : rot 72:sc= -2.27! USER MOD Set 3.5: B 7 MET CE :methyl -141:sc= -14.4! (180deg=-17.3!) USER MOD Set 3.6: B 74 MET CE :methyl -155:sc= -4.94! (180deg=-6.64!) USER MOD Set 3.7: B 78 SER OG : rot 74:sc= 0.888 USER MOD Set 3.8: B 81 THR OG1 : rot 75:sc= -1.67 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -174:sc= 0.854 (180deg=0.479!) USER MOD Single : A 1 SER OG : rot 70:sc= -0.389 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 16 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.8!) USER MOD Single : A 17 TYR OH : rot -23:sc= -0.93 USER MOD Single : A 18 SER OG : rot 79:sc= 1.04 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-2.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.0435 (180deg=-0.0866) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= -0.536 (180deg=-2.09!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.59! C(o=-1.6!,f=-5.6!) USER MOD Single : A 38 ASN : amide:sc= -1.84 K(o=-1.8,f=0.21) USER MOD Single : A 41 SER OG : rot -73:sc= 1.11 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= -0.0806 (180deg=-0.486) USER MOD Single : A 57 MET CE :methyl -142:sc= -0.271 (180deg=-1.28!) USER MOD Single : A 59 THR OG1 : rot 100:sc= 1.15 USER MOD Single : A 68 CYS SG : rot 180:sc= -2.27! USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -115:sc= 1.45 USER MOD Single : A 85 HIS : no HD1:sc= -0.315 K(o=-0.32,f=-1.1) USER MOD Single : A 90 HIS : no HD1:sc= -3.04 K(o=-3,f=-1.8) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -178:sc= 0.769 (180deg=0.744) USER MOD Single : B 1 SER OG : rot 72:sc= -0.459 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.025) USER MOD Single : B 16 GLN : amide:sc= -1.29! C(o=-1.3!,f=-3.9!) USER MOD Single : B 17 TYR OH : rot -17:sc= -0.903 USER MOD Single : B 18 SER OG : rot 113:sc= 1.07 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HE2:sc= -3.52! C(o=-3.5!,f=-2.9!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -167:sc= 0.0503 (180deg=-0.111) USER MOD Single : B 29 LYS NZ :NH3+ -108:sc= -0.542 (180deg=-2.09!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -1.58! C(o=-1.6!,f=-5.7!) USER MOD Single : B 38 ASN : amide:sc= -1.82 K(o=-1.8,f=0.22) USER MOD Single : B 41 SER OG : rot -57:sc= 1.06 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -154:sc= -0.0789 (180deg=-0.492) USER MOD Single : B 57 MET CE :methyl -143:sc= -0.27 (180deg=-1.22!) USER MOD Single : B 59 THR OG1 : rot 96:sc= 1.15 USER MOD Single : B 68 CYS SG : rot 180:sc= -2.27! USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 84 CYS SG : rot -120:sc= 1.45 USER MOD Single : B 85 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-1.2) USER MOD Single : B 90 HIS : no HD1:sc= -2.96 K(o=-3,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 11.056 6.453 -15.492 1.00 0.00 N ATOM 2 CA MET A 0 9.876 5.805 -14.853 1.00 0.00 C ATOM 3 C MET A 0 10.347 4.634 -13.984 1.00 0.00 C ATOM 4 O MET A 0 11.436 4.121 -14.157 1.00 0.00 O ATOM 5 CB MET A 0 8.915 5.306 -15.941 1.00 0.00 C ATOM 6 CG MET A 0 9.397 3.962 -16.500 1.00 0.00 C ATOM 7 SD MET A 0 11.076 4.145 -17.153 1.00 0.00 S ATOM 8 CE MET A 0 11.314 2.423 -17.663 1.00 0.00 C ATOM 0 H1 MET A 0 10.750 7.308 -15.999 1.00 0.00 H new ATOM 0 H2 MET A 0 11.748 6.714 -14.760 1.00 0.00 H new ATOM 0 H3 MET A 0 11.495 5.791 -16.163 1.00 0.00 H new ATOM 0 HA MET A 0 9.354 6.526 -14.224 1.00 0.00 H new ATOM 0 HB2 MET A 0 7.912 5.197 -15.528 1.00 0.00 H new ATOM 0 HB3 MET A 0 8.851 6.040 -16.744 1.00 0.00 H new ATOM 0 HG2 MET A 0 9.381 3.204 -15.717 1.00 0.00 H new ATOM 0 HG3 MET A 0 8.724 3.622 -17.287 1.00 0.00 H new ATOM 0 HE1 MET A 0 12.305 2.307 -18.102 1.00 0.00 H new ATOM 0 HE2 MET A 0 11.223 1.770 -16.795 1.00 0.00 H new ATOM 0 HE3 MET A 0 10.557 2.154 -18.400 1.00 0.00 H new ATOM 20 N SER A 1 9.539 4.207 -13.052 1.00 0.00 N ATOM 21 CA SER A 1 9.950 3.072 -12.178 1.00 0.00 C ATOM 22 C SER A 1 8.779 2.102 -12.010 1.00 0.00 C ATOM 23 O SER A 1 7.640 2.434 -12.273 1.00 0.00 O ATOM 24 CB SER A 1 10.369 3.608 -10.809 1.00 0.00 C ATOM 25 OG SER A 1 10.065 2.640 -9.812 1.00 0.00 O ATOM 0 H SER A 1 8.615 4.594 -12.858 1.00 0.00 H new ATOM 0 HA SER A 1 10.789 2.549 -12.636 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.436 3.830 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.848 4.542 -10.596 1.00 0.00 H new ATOM 0 HG SER A 1 10.665 1.871 -9.909 1.00 0.00 H new ATOM 31 N GLU A 2 9.052 0.902 -11.574 1.00 0.00 N ATOM 32 CA GLU A 2 7.958 -0.092 -11.387 1.00 0.00 C ATOM 33 C GLU A 2 7.138 0.280 -10.151 1.00 0.00 C ATOM 34 O GLU A 2 5.941 0.470 -10.221 1.00 0.00 O ATOM 35 CB GLU A 2 8.566 -1.483 -11.196 1.00 0.00 C ATOM 36 CG GLU A 2 7.871 -2.479 -12.126 1.00 0.00 C ATOM 37 CD GLU A 2 8.790 -2.795 -13.309 1.00 0.00 C ATOM 38 OE1 GLU A 2 9.986 -2.893 -13.093 1.00 0.00 O ATOM 39 OE2 GLU A 2 8.280 -2.934 -14.408 1.00 0.00 O ATOM 0 H GLU A 2 9.987 0.567 -11.339 1.00 0.00 H new ATOM 0 HA GLU A 2 7.311 -0.093 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.635 -1.456 -11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.455 -1.800 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.630 -3.393 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.929 -2.063 -12.484 1.00 0.00 H new ATOM 46 N LEU A 3 7.775 0.384 -9.019 1.00 0.00 N ATOM 47 CA LEU A 3 7.039 0.743 -7.774 1.00 0.00 C ATOM 48 C LEU A 3 6.414 2.127 -7.926 1.00 0.00 C ATOM 49 O LEU A 3 5.324 2.387 -7.462 1.00 0.00 O ATOM 50 CB LEU A 3 8.017 0.771 -6.603 1.00 0.00 C ATOM 51 CG LEU A 3 7.266 0.482 -5.303 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.860 -0.991 -5.260 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.174 0.797 -4.112 1.00 0.00 C ATOM 0 H LEU A 3 8.777 0.235 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 3 6.257 0.005 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.802 0.030 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.504 1.745 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 3 6.372 1.103 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.325 -1.194 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.213 -1.215 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.752 -1.616 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.641 0.592 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.068 0.176 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.461 1.848 -4.141 1.00 0.00 H new ATOM 65 N GLU A 4 7.105 3.025 -8.560 1.00 0.00 N ATOM 66 CA GLU A 4 6.554 4.401 -8.728 1.00 0.00 C ATOM 67 C GLU A 4 5.263 4.357 -9.553 1.00 0.00 C ATOM 68 O GLU A 4 4.242 4.872 -9.147 1.00 0.00 O ATOM 69 CB GLU A 4 7.586 5.279 -9.441 1.00 0.00 C ATOM 70 CG GLU A 4 6.954 6.630 -9.785 1.00 0.00 C ATOM 71 CD GLU A 4 7.013 6.852 -11.297 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.175 5.877 -12.014 1.00 0.00 O ATOM 73 OE2 GLU A 4 6.895 7.992 -11.714 1.00 0.00 O ATOM 0 H GLU A 4 8.026 2.871 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 4 6.332 4.817 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.458 5.425 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.934 4.786 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.919 6.657 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.481 7.432 -9.268 1.00 0.00 H new ATOM 80 N LYS A 5 5.297 3.764 -10.713 1.00 0.00 N ATOM 81 CA LYS A 5 4.069 3.715 -11.558 1.00 0.00 C ATOM 82 C LYS A 5 2.951 2.946 -10.845 1.00 0.00 C ATOM 83 O LYS A 5 1.789 3.281 -10.960 1.00 0.00 O ATOM 84 CB LYS A 5 4.393 3.023 -12.884 1.00 0.00 C ATOM 85 CG LYS A 5 5.217 3.968 -13.761 1.00 0.00 C ATOM 86 CD LYS A 5 5.386 3.357 -15.153 1.00 0.00 C ATOM 87 CE LYS A 5 5.190 4.444 -16.212 1.00 0.00 C ATOM 88 NZ LYS A 5 3.948 4.166 -16.987 1.00 0.00 N ATOM 0 H LYS A 5 6.119 3.312 -11.113 1.00 0.00 H new ATOM 0 HA LYS A 5 3.730 4.735 -11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.947 2.103 -12.701 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.472 2.744 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.722 4.936 -13.835 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.193 4.143 -13.308 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.377 2.914 -15.250 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.663 2.555 -15.301 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.123 5.422 -15.736 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.050 4.474 -16.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.815 4.905 -17.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.029 3.240 -17.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.131 4.159 -16.343 1.00 0.00 H new ATOM 102 N ALA A 6 3.285 1.912 -10.124 1.00 0.00 N ATOM 103 CA ALA A 6 2.230 1.121 -9.426 1.00 0.00 C ATOM 104 C ALA A 6 1.809 1.818 -8.128 1.00 0.00 C ATOM 105 O ALA A 6 0.712 2.330 -8.012 1.00 0.00 O ATOM 106 CB ALA A 6 2.777 -0.270 -9.098 1.00 0.00 C ATOM 0 H ALA A 6 4.240 1.580 -9.987 1.00 0.00 H new ATOM 0 HA ALA A 6 1.361 1.037 -10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.009 -0.852 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.062 -0.776 -10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.650 -0.175 -8.452 1.00 0.00 H new ATOM 112 N MET A 7 2.669 1.827 -7.149 1.00 0.00 N ATOM 113 CA MET A 7 2.328 2.473 -5.851 1.00 0.00 C ATOM 114 C MET A 7 1.694 3.840 -6.102 1.00 0.00 C ATOM 115 O MET A 7 0.614 4.139 -5.623 1.00 0.00 O ATOM 116 CB MET A 7 3.606 2.651 -5.028 1.00 0.00 C ATOM 117 CG MET A 7 3.297 3.469 -3.772 1.00 0.00 C ATOM 118 SD MET A 7 1.852 2.772 -2.932 1.00 0.00 S ATOM 119 CE MET A 7 2.518 2.817 -1.249 1.00 0.00 C ATOM 0 H MET A 7 3.600 1.412 -7.192 1.00 0.00 H new ATOM 0 HA MET A 7 1.622 1.844 -5.309 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.010 1.678 -4.750 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.367 3.154 -5.624 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.157 3.464 -3.102 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.108 4.508 -4.040 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.112 1.984 -0.675 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.604 2.737 -1.285 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.239 3.757 -0.772 1.00 0.00 H new ATOM 129 N VAL A 8 2.357 4.674 -6.849 1.00 0.00 N ATOM 130 CA VAL A 8 1.790 6.024 -7.124 1.00 0.00 C ATOM 131 C VAL A 8 0.408 5.866 -7.760 1.00 0.00 C ATOM 132 O VAL A 8 -0.500 6.627 -7.489 1.00 0.00 O ATOM 133 CB VAL A 8 2.717 6.792 -8.066 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.205 8.223 -8.224 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.128 6.825 -7.474 1.00 0.00 C ATOM 0 H VAL A 8 3.262 4.483 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 8 1.698 6.582 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 8 2.738 6.300 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.864 8.773 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.197 8.205 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.188 8.713 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.791 7.372 -8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.104 7.320 -6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.495 5.806 -7.352 1.00 0.00 H new ATOM 145 N ALA A 9 0.236 4.874 -8.592 1.00 0.00 N ATOM 146 CA ALA A 9 -1.097 4.664 -9.223 1.00 0.00 C ATOM 147 C ALA A 9 -2.154 4.627 -8.119 1.00 0.00 C ATOM 148 O ALA A 9 -3.209 5.220 -8.233 1.00 0.00 O ATOM 149 CB ALA A 9 -1.099 3.339 -9.988 1.00 0.00 C ATOM 0 H ALA A 9 0.957 4.204 -8.860 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.315 5.473 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.075 3.187 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.332 3.365 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.892 2.521 -9.299 1.00 0.00 H new ATOM 155 N LEU A 10 -1.870 3.947 -7.040 1.00 0.00 N ATOM 156 CA LEU A 10 -2.851 3.890 -5.922 1.00 0.00 C ATOM 157 C LEU A 10 -3.262 5.317 -5.563 1.00 0.00 C ATOM 158 O LEU A 10 -4.432 5.643 -5.510 1.00 0.00 O ATOM 159 CB LEU A 10 -2.204 3.219 -4.707 1.00 0.00 C ATOM 160 CG LEU A 10 -3.155 2.163 -4.140 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.350 0.941 -3.694 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.905 2.744 -2.939 1.00 0.00 C ATOM 0 H LEU A 10 -1.004 3.431 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.727 3.314 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.260 2.757 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.976 3.964 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.870 1.868 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.026 0.188 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.814 0.527 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.635 1.237 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.583 1.992 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.190 3.038 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.478 3.616 -3.255 1.00 0.00 H new ATOM 174 N ILE A 11 -2.306 6.177 -5.331 1.00 0.00 N ATOM 175 CA ILE A 11 -2.645 7.589 -4.995 1.00 0.00 C ATOM 176 C ILE A 11 -3.648 8.108 -6.032 1.00 0.00 C ATOM 177 O ILE A 11 -4.587 8.811 -5.709 1.00 0.00 O ATOM 178 CB ILE A 11 -1.360 8.437 -5.019 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.703 8.397 -3.636 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.681 9.892 -5.380 1.00 0.00 C ATOM 181 CD1 ILE A 11 -0.113 7.008 -3.387 1.00 0.00 C ATOM 0 H ILE A 11 -1.309 5.963 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.087 7.652 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.684 8.028 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.080 9.152 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.438 8.634 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.760 10.476 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.146 9.928 -6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.365 10.308 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.354 6.982 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.907 6.262 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.635 6.788 -4.149 1.00 0.00 H new ATOM 193 N ASP A 12 -3.457 7.759 -7.275 1.00 0.00 N ATOM 194 CA ASP A 12 -4.395 8.221 -8.334 1.00 0.00 C ATOM 195 C ASP A 12 -5.830 7.918 -7.903 1.00 0.00 C ATOM 196 O ASP A 12 -6.691 8.775 -7.920 1.00 0.00 O ATOM 197 CB ASP A 12 -4.086 7.481 -9.637 1.00 0.00 C ATOM 198 CG ASP A 12 -4.721 8.224 -10.813 1.00 0.00 C ATOM 199 OD1 ASP A 12 -5.936 8.191 -10.922 1.00 0.00 O ATOM 200 OD2 ASP A 12 -3.983 8.814 -11.586 1.00 0.00 O ATOM 0 H ASP A 12 -2.689 7.172 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.280 9.294 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.008 7.409 -9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.470 6.462 -9.588 1.00 0.00 H new ATOM 205 N VAL A 13 -6.087 6.702 -7.514 1.00 0.00 N ATOM 206 CA VAL A 13 -7.465 6.336 -7.076 1.00 0.00 C ATOM 207 C VAL A 13 -7.914 7.284 -5.960 1.00 0.00 C ATOM 208 O VAL A 13 -9.072 7.637 -5.859 1.00 0.00 O ATOM 209 CB VAL A 13 -7.469 4.897 -6.554 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.786 4.622 -5.827 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.328 3.928 -7.730 1.00 0.00 C ATOM 0 H VAL A 13 -5.404 5.945 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.149 6.418 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.636 4.759 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.789 3.597 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.890 5.312 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.618 4.760 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.331 2.903 -7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.162 4.067 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.391 4.123 -8.251 1.00 0.00 H new ATOM 221 N PHE A 14 -7.005 7.696 -5.118 1.00 0.00 N ATOM 222 CA PHE A 14 -7.379 8.617 -4.006 1.00 0.00 C ATOM 223 C PHE A 14 -7.878 9.945 -4.583 1.00 0.00 C ATOM 224 O PHE A 14 -8.799 10.548 -4.069 1.00 0.00 O ATOM 225 CB PHE A 14 -6.154 8.874 -3.125 1.00 0.00 C ATOM 226 CG PHE A 14 -6.601 9.388 -1.777 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.259 8.534 -0.885 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.357 10.720 -1.418 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.673 9.010 0.365 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.770 11.196 -0.167 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.428 10.340 0.725 1.00 0.00 C ATOM 0 H PHE A 14 -6.020 7.435 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.170 8.162 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.581 7.955 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.495 9.600 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.448 7.507 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.850 11.380 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.182 8.350 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.581 12.223 0.110 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.746 10.706 1.690 1.00 0.00 H new ATOM 241 N HIS A 15 -7.277 10.408 -5.647 1.00 0.00 N ATOM 242 CA HIS A 15 -7.721 11.698 -6.249 1.00 0.00 C ATOM 243 C HIS A 15 -9.029 11.484 -7.013 1.00 0.00 C ATOM 244 O HIS A 15 -9.695 12.425 -7.397 1.00 0.00 O ATOM 245 CB HIS A 15 -6.647 12.211 -7.211 1.00 0.00 C ATOM 246 CG HIS A 15 -6.933 13.649 -7.552 1.00 0.00 C ATOM 247 ND1 HIS A 15 -7.251 14.054 -8.839 1.00 0.00 N ATOM 248 CD2 HIS A 15 -6.955 14.786 -6.784 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.449 15.384 -8.808 1.00 0.00 C ATOM 250 NE2 HIS A 15 -7.283 15.882 -7.578 1.00 0.00 N ATOM 0 H HIS A 15 -6.500 9.950 -6.124 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.879 12.430 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.661 12.122 -6.755 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.635 11.606 -8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.749 14.825 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.710 15.978 -9.672 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.376 16.854 -7.285 1.00 0.00 H new ATOM 258 N GLN A 16 -9.402 10.254 -7.237 1.00 0.00 N ATOM 259 CA GLN A 16 -10.668 9.986 -7.976 1.00 0.00 C ATOM 260 C GLN A 16 -11.837 9.963 -6.990 1.00 0.00 C ATOM 261 O GLN A 16 -12.820 10.656 -7.161 1.00 0.00 O ATOM 262 CB GLN A 16 -10.570 8.630 -8.683 1.00 0.00 C ATOM 263 CG GLN A 16 -11.589 8.574 -9.824 1.00 0.00 C ATOM 264 CD GLN A 16 -11.385 9.774 -10.751 1.00 0.00 C ATOM 265 OE1 GLN A 16 -12.335 10.326 -11.269 1.00 0.00 O ATOM 266 NE2 GLN A 16 -10.174 10.205 -10.983 1.00 0.00 N ATOM 0 H GLN A 16 -8.887 9.425 -6.941 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.830 10.770 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.563 8.483 -9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.758 7.824 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.474 7.645 -10.383 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.602 8.580 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.376 9.742 -10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.026 11.005 -11.599 1.00 0.00 H new ATOM 275 N TYR A 17 -11.741 9.169 -5.961 1.00 0.00 N ATOM 276 CA TYR A 17 -12.849 9.099 -4.967 1.00 0.00 C ATOM 277 C TYR A 17 -12.816 10.333 -4.062 1.00 0.00 C ATOM 278 O TYR A 17 -13.820 10.735 -3.506 1.00 0.00 O ATOM 279 CB TYR A 17 -12.687 7.837 -4.120 1.00 0.00 C ATOM 280 CG TYR A 17 -12.992 6.625 -4.968 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.996 6.072 -5.783 1.00 0.00 C ATOM 282 CD2 TYR A 17 -14.269 6.056 -4.939 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.279 4.949 -6.569 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.552 4.932 -5.725 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.556 4.378 -6.540 1.00 0.00 C ATOM 286 OH TYR A 17 -13.835 3.269 -7.314 1.00 0.00 O ATOM 0 H TYR A 17 -10.943 8.565 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.804 9.069 -5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.671 7.775 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.358 7.873 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.010 6.512 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.037 6.483 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.511 4.523 -7.198 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.538 4.492 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.207 3.228 -8.065 1.00 0.00 H new ATOM 296 N SER A 18 -11.671 10.938 -3.905 1.00 0.00 N ATOM 297 CA SER A 18 -11.582 12.146 -3.034 1.00 0.00 C ATOM 298 C SER A 18 -11.549 13.403 -3.906 1.00 0.00 C ATOM 299 O SER A 18 -11.648 14.511 -3.417 1.00 0.00 O ATOM 300 CB SER A 18 -10.306 12.074 -2.192 1.00 0.00 C ATOM 301 OG SER A 18 -10.553 12.654 -0.917 1.00 0.00 O ATOM 0 H SER A 18 -10.795 10.650 -4.340 1.00 0.00 H new ATOM 0 HA SER A 18 -12.450 12.184 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.989 11.037 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.495 12.602 -2.694 1.00 0.00 H new ATOM 0 HG SER A 18 -11.027 12.010 -0.351 1.00 0.00 H new ATOM 307 N GLY A 19 -11.407 13.241 -5.194 1.00 0.00 N ATOM 308 CA GLY A 19 -11.363 14.428 -6.094 1.00 0.00 C ATOM 309 C GLY A 19 -12.784 14.820 -6.513 1.00 0.00 C ATOM 310 O GLY A 19 -13.057 15.966 -6.817 1.00 0.00 O ATOM 0 H GLY A 19 -11.320 12.338 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.882 15.263 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.763 14.204 -6.976 1.00 0.00 H new ATOM 314 N ARG A 20 -13.694 13.884 -6.532 1.00 0.00 N ATOM 315 CA ARG A 20 -15.094 14.214 -6.932 1.00 0.00 C ATOM 316 C ARG A 20 -15.671 15.246 -5.954 1.00 0.00 C ATOM 317 O ARG A 20 -14.970 16.122 -5.487 1.00 0.00 O ATOM 318 CB ARG A 20 -15.944 12.939 -6.914 1.00 0.00 C ATOM 319 CG ARG A 20 -15.394 11.944 -7.939 1.00 0.00 C ATOM 320 CD ARG A 20 -15.962 10.552 -7.654 1.00 0.00 C ATOM 321 NE ARG A 20 -16.757 10.093 -8.826 1.00 0.00 N ATOM 322 CZ ARG A 20 -16.296 10.266 -10.035 1.00 0.00 C ATOM 323 NH1 ARG A 20 -15.130 9.780 -10.364 1.00 0.00 N ATOM 324 NH2 ARG A 20 -16.999 10.929 -10.913 1.00 0.00 N ATOM 0 H ARG A 20 -13.530 12.907 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.102 14.632 -7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.932 12.495 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.982 13.178 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.663 12.259 -8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.305 11.921 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.152 9.851 -7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.589 10.579 -6.763 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.662 9.643 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.580 9.265 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.769 9.915 -11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.908 11.312 -10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.639 11.064 -11.858 1.00 0.00 H new ATOM 338 N GLU A 21 -16.938 15.158 -5.641 1.00 0.00 N ATOM 339 CA GLU A 21 -17.542 16.140 -4.696 1.00 0.00 C ATOM 340 C GLU A 21 -16.809 16.063 -3.349 1.00 0.00 C ATOM 341 O GLU A 21 -15.632 16.351 -3.270 1.00 0.00 O ATOM 342 CB GLU A 21 -19.029 15.819 -4.516 1.00 0.00 C ATOM 343 CG GLU A 21 -19.203 14.317 -4.287 1.00 0.00 C ATOM 344 CD GLU A 21 -19.914 13.692 -5.490 1.00 0.00 C ATOM 345 OE1 GLU A 21 -19.630 14.105 -6.602 1.00 0.00 O ATOM 346 OE2 GLU A 21 -20.731 12.811 -5.278 1.00 0.00 O ATOM 0 H GLU A 21 -17.578 14.449 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.445 17.150 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -19.432 16.376 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.588 16.130 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.231 13.846 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -19.781 14.142 -3.379 1.00 0.00 H new ATOM 353 N GLY A 22 -17.484 15.675 -2.290 1.00 0.00 N ATOM 354 CA GLY A 22 -16.802 15.590 -0.964 1.00 0.00 C ATOM 355 C GLY A 22 -15.874 16.794 -0.794 1.00 0.00 C ATOM 356 O GLY A 22 -16.305 17.884 -0.473 1.00 0.00 O ATOM 0 H GLY A 22 -18.471 15.416 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.541 15.570 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.231 14.664 -0.894 1.00 0.00 H new ATOM 360 N ASP A 23 -14.603 16.603 -1.017 1.00 0.00 N ATOM 361 CA ASP A 23 -13.644 17.731 -0.882 1.00 0.00 C ATOM 362 C ASP A 23 -12.249 17.259 -1.304 1.00 0.00 C ATOM 363 O ASP A 23 -11.803 17.534 -2.400 1.00 0.00 O ATOM 364 CB ASP A 23 -13.618 18.208 0.571 1.00 0.00 C ATOM 365 CG ASP A 23 -13.721 19.735 0.610 1.00 0.00 C ATOM 366 OD1 ASP A 23 -14.826 20.237 0.485 1.00 0.00 O ATOM 367 OD2 ASP A 23 -12.693 20.374 0.760 1.00 0.00 O ATOM 0 H ASP A 23 -14.188 15.711 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.953 18.558 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.444 17.763 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.697 17.883 1.055 1.00 0.00 H new ATOM 372 N LYS A 24 -11.567 16.544 -0.443 1.00 0.00 N ATOM 373 CA LYS A 24 -10.199 16.033 -0.775 1.00 0.00 C ATOM 374 C LYS A 24 -9.420 15.821 0.524 1.00 0.00 C ATOM 375 O LYS A 24 -9.769 16.353 1.559 1.00 0.00 O ATOM 376 CB LYS A 24 -9.443 17.041 -1.650 1.00 0.00 C ATOM 377 CG LYS A 24 -9.655 18.460 -1.113 1.00 0.00 C ATOM 378 CD LYS A 24 -8.349 19.251 -1.227 1.00 0.00 C ATOM 379 CE LYS A 24 -7.758 19.067 -2.627 1.00 0.00 C ATOM 380 NZ LYS A 24 -7.201 20.365 -3.106 1.00 0.00 N ATOM 0 H LYS A 24 -11.903 16.290 0.486 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.296 15.095 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.380 16.802 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.794 16.976 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.445 18.959 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.980 18.422 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.534 20.308 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.639 18.910 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.975 18.309 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.527 18.713 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.799 20.241 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.959 21.076 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.456 20.684 -2.455 1.00 0.00 H new ATOM 394 N HIS A 25 -8.365 15.053 0.481 1.00 0.00 N ATOM 395 CA HIS A 25 -7.568 14.819 1.718 1.00 0.00 C ATOM 396 C HIS A 25 -8.416 14.054 2.738 1.00 0.00 C ATOM 397 O HIS A 25 -8.038 13.908 3.884 1.00 0.00 O ATOM 398 CB HIS A 25 -7.154 16.169 2.313 1.00 0.00 C ATOM 399 CG HIS A 25 -6.015 15.967 3.277 1.00 0.00 C ATOM 400 ND1 HIS A 25 -4.709 16.303 2.958 1.00 0.00 N ATOM 401 CD2 HIS A 25 -5.971 15.465 4.554 1.00 0.00 C ATOM 402 CE1 HIS A 25 -3.941 16.001 4.022 1.00 0.00 C ATOM 403 NE2 HIS A 25 -4.661 15.489 5.022 1.00 0.00 N ATOM 0 H HIS A 25 -8.022 14.579 -0.355 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.680 14.235 1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.854 16.852 1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.000 16.627 2.825 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.388 16.706 2.078 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -6.824 15.106 5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.873 16.154 4.061 1.00 0.00 H new ATOM 411 N LYS A 26 -9.559 13.565 2.338 1.00 0.00 N ATOM 412 CA LYS A 26 -10.418 12.815 3.298 1.00 0.00 C ATOM 413 C LYS A 26 -11.149 11.684 2.572 1.00 0.00 C ATOM 414 O LYS A 26 -11.283 11.688 1.364 1.00 0.00 O ATOM 415 CB LYS A 26 -11.443 13.770 3.917 1.00 0.00 C ATOM 416 CG LYS A 26 -12.295 14.400 2.812 1.00 0.00 C ATOM 417 CD LYS A 26 -13.445 15.190 3.442 1.00 0.00 C ATOM 418 CE LYS A 26 -14.715 14.339 3.432 1.00 0.00 C ATOM 419 NZ LYS A 26 -15.001 13.854 4.812 1.00 0.00 N ATOM 0 H LYS A 26 -9.933 13.652 1.393 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.792 12.390 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.080 13.230 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.933 14.548 4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.682 15.058 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.689 13.625 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.191 15.470 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.610 16.115 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.555 14.925 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.593 13.493 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.865 13.275 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.203 13.280 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.135 14.668 5.445 1.00 0.00 H new ATOM 433 N LEU A 27 -11.623 10.714 3.306 1.00 0.00 N ATOM 434 CA LEU A 27 -12.349 9.577 2.673 1.00 0.00 C ATOM 435 C LEU A 27 -13.532 9.182 3.562 1.00 0.00 C ATOM 436 O LEU A 27 -13.968 9.944 4.402 1.00 0.00 O ATOM 437 CB LEU A 27 -11.397 8.386 2.525 1.00 0.00 C ATOM 438 CG LEU A 27 -11.147 8.107 1.041 1.00 0.00 C ATOM 439 CD1 LEU A 27 -12.446 7.640 0.381 1.00 0.00 C ATOM 440 CD2 LEU A 27 -10.662 9.387 0.356 1.00 0.00 C ATOM 0 H LEU A 27 -11.538 10.660 4.321 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.713 9.872 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.454 8.597 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.824 7.505 3.004 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.389 7.330 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.266 7.442 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.794 6.729 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.204 8.417 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.484 9.189 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.420 10.163 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.736 9.721 0.824 1.00 0.00 H new ATOM 452 N LYS A 28 -14.054 7.998 3.387 1.00 0.00 N ATOM 453 CA LYS A 28 -15.205 7.565 4.228 1.00 0.00 C ATOM 454 C LYS A 28 -15.157 6.048 4.423 1.00 0.00 C ATOM 455 O LYS A 28 -14.476 5.342 3.705 1.00 0.00 O ATOM 456 CB LYS A 28 -16.515 7.951 3.539 1.00 0.00 C ATOM 457 CG LYS A 28 -17.323 8.868 4.459 1.00 0.00 C ATOM 458 CD LYS A 28 -18.393 9.600 3.644 1.00 0.00 C ATOM 459 CE LYS A 28 -19.594 8.677 3.429 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.669 9.024 4.401 1.00 0.00 N ATOM 0 H LYS A 28 -13.734 7.315 2.701 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.148 8.056 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.307 8.456 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.091 7.057 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.791 8.284 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.663 9.589 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.706 10.505 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.983 9.911 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.965 8.778 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.294 7.637 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.395 8.279 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.262 9.105 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.102 9.930 4.131 1.00 0.00 H new ATOM 474 N LYS A 29 -15.877 5.543 5.387 1.00 0.00 N ATOM 475 CA LYS A 29 -15.874 4.073 5.627 1.00 0.00 C ATOM 476 C LYS A 29 -16.684 3.378 4.534 1.00 0.00 C ATOM 477 O LYS A 29 -16.455 2.229 4.214 1.00 0.00 O ATOM 478 CB LYS A 29 -16.504 3.781 6.991 1.00 0.00 C ATOM 479 CG LYS A 29 -15.805 4.621 8.061 1.00 0.00 C ATOM 480 CD LYS A 29 -14.331 4.221 8.135 1.00 0.00 C ATOM 481 CE LYS A 29 -13.688 4.863 9.366 1.00 0.00 C ATOM 482 NZ LYS A 29 -13.755 3.911 10.512 1.00 0.00 N ATOM 0 H LYS A 29 -16.467 6.085 6.018 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.849 3.702 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.569 4.012 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.412 2.721 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.894 5.681 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.284 4.470 9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.240 3.136 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.811 4.540 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.651 5.123 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.204 5.790 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.457 4.247 11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.032 2.970 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.822 3.851 10.969 1.00 0.00 H new ATOM 496 N SER A 30 -17.632 4.065 3.960 1.00 0.00 N ATOM 497 CA SER A 30 -18.457 3.444 2.886 1.00 0.00 C ATOM 498 C SER A 30 -17.691 3.492 1.563 1.00 0.00 C ATOM 499 O SER A 30 -17.658 2.531 0.820 1.00 0.00 O ATOM 500 CB SER A 30 -19.776 4.206 2.745 1.00 0.00 C ATOM 501 OG SER A 30 -20.777 3.558 3.518 1.00 0.00 O ATOM 0 H SER A 30 -17.871 5.030 4.188 1.00 0.00 H new ATOM 0 HA SER A 30 -18.668 2.406 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.652 5.236 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.077 4.245 1.698 1.00 0.00 H new ATOM 0 HG SER A 30 -21.623 4.045 3.431 1.00 0.00 H new ATOM 507 N GLU A 31 -17.069 4.599 1.265 1.00 0.00 N ATOM 508 CA GLU A 31 -16.302 4.696 -0.004 1.00 0.00 C ATOM 509 C GLU A 31 -15.019 3.884 0.140 1.00 0.00 C ATOM 510 O GLU A 31 -14.459 3.419 -0.829 1.00 0.00 O ATOM 511 CB GLU A 31 -15.958 6.160 -0.291 1.00 0.00 C ATOM 512 CG GLU A 31 -15.688 6.333 -1.788 1.00 0.00 C ATOM 513 CD GLU A 31 -16.410 7.584 -2.295 1.00 0.00 C ATOM 514 OE1 GLU A 31 -16.262 8.624 -1.674 1.00 0.00 O ATOM 515 OE2 GLU A 31 -17.098 7.481 -3.299 1.00 0.00 O ATOM 0 H GLU A 31 -17.060 5.438 1.845 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.898 4.307 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.779 6.806 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.082 6.459 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.616 6.421 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.032 5.455 -2.334 1.00 0.00 H new ATOM 522 N LEU A 32 -14.558 3.703 1.351 1.00 0.00 N ATOM 523 CA LEU A 32 -13.316 2.909 1.567 1.00 0.00 C ATOM 524 C LEU A 32 -13.653 1.422 1.452 1.00 0.00 C ATOM 525 O LEU A 32 -12.984 0.674 0.766 1.00 0.00 O ATOM 526 CB LEU A 32 -12.757 3.202 2.962 1.00 0.00 C ATOM 527 CG LEU A 32 -11.611 2.235 3.268 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.542 2.347 2.178 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.993 2.589 4.623 1.00 0.00 C ATOM 0 H LEU A 32 -14.990 4.072 2.198 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.570 3.178 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.402 4.231 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.544 3.098 3.709 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.996 1.216 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.726 1.658 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.980 2.096 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.158 3.367 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.177 1.901 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.609 3.609 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.752 2.510 5.401 1.00 0.00 H new ATOM 541 N LYS A 33 -14.697 0.991 2.107 1.00 0.00 N ATOM 542 CA LYS A 33 -15.088 -0.444 2.020 1.00 0.00 C ATOM 543 C LYS A 33 -15.334 -0.790 0.554 1.00 0.00 C ATOM 544 O LYS A 33 -14.919 -1.821 0.063 1.00 0.00 O ATOM 545 CB LYS A 33 -16.375 -0.668 2.816 1.00 0.00 C ATOM 546 CG LYS A 33 -16.471 -2.136 3.238 1.00 0.00 C ATOM 547 CD LYS A 33 -17.638 -2.801 2.505 1.00 0.00 C ATOM 548 CE LYS A 33 -18.860 -2.844 3.424 1.00 0.00 C ATOM 549 NZ LYS A 33 -18.740 -4.002 4.355 1.00 0.00 N ATOM 0 H LYS A 33 -15.295 1.570 2.697 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.298 -1.074 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.386 -0.025 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.240 -0.396 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.540 -2.654 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.616 -2.207 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.873 -2.248 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.362 -3.811 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.936 -1.915 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.771 -2.932 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.570 -4.032 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.687 -4.884 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.878 -3.899 4.928 1.00 0.00 H new ATOM 563 N GLU A 34 -16.003 0.081 -0.145 1.00 0.00 N ATOM 564 CA GLU A 34 -16.283 -0.166 -1.583 1.00 0.00 C ATOM 565 C GLU A 34 -14.978 -0.016 -2.371 1.00 0.00 C ATOM 566 O GLU A 34 -14.756 -0.675 -3.367 1.00 0.00 O ATOM 567 CB GLU A 34 -17.356 0.836 -2.055 1.00 0.00 C ATOM 568 CG GLU A 34 -16.737 2.074 -2.721 1.00 0.00 C ATOM 569 CD GLU A 34 -16.824 1.929 -4.241 1.00 0.00 C ATOM 570 OE1 GLU A 34 -17.027 0.818 -4.699 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.690 2.933 -4.921 1.00 0.00 O ATOM 0 H GLU A 34 -16.370 0.959 0.221 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.663 -1.174 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -18.027 0.343 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.961 1.147 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.261 2.974 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.697 2.184 -2.414 1.00 0.00 H new ATOM 578 N LEU A 35 -14.112 0.842 -1.914 1.00 0.00 N ATOM 579 CA LEU A 35 -12.809 1.044 -2.611 1.00 0.00 C ATOM 580 C LEU A 35 -12.057 -0.287 -2.672 1.00 0.00 C ATOM 581 O LEU A 35 -11.386 -0.591 -3.637 1.00 0.00 O ATOM 582 CB LEU A 35 -11.965 2.059 -1.828 1.00 0.00 C ATOM 583 CG LEU A 35 -11.299 3.031 -2.801 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.488 2.244 -3.832 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.375 3.851 -3.516 1.00 0.00 C ATOM 0 H LEU A 35 -14.250 1.417 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.990 1.414 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.594 2.606 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.207 1.541 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.636 3.700 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.013 2.937 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.723 1.658 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.150 1.576 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.902 4.545 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.037 3.182 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.954 4.411 -2.781 1.00 0.00 H new ATOM 597 N ILE A 36 -12.155 -1.075 -1.639 1.00 0.00 N ATOM 598 CA ILE A 36 -11.439 -2.382 -1.620 1.00 0.00 C ATOM 599 C ILE A 36 -12.218 -3.431 -2.416 1.00 0.00 C ATOM 600 O ILE A 36 -11.704 -4.039 -3.334 1.00 0.00 O ATOM 601 CB ILE A 36 -11.295 -2.864 -0.175 1.00 0.00 C ATOM 602 CG1 ILE A 36 -11.171 -1.650 0.761 1.00 0.00 C ATOM 603 CG2 ILE A 36 -10.050 -3.746 -0.063 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.528 -2.072 2.086 1.00 0.00 C ATOM 0 H ILE A 36 -12.702 -0.870 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.456 -2.246 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.173 -3.443 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.570 -0.875 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.156 -1.221 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.941 -4.093 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.151 -4.604 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.169 -3.170 -0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.444 -1.206 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.146 -2.831 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.535 -2.480 1.895 1.00 0.00 H new ATOM 616 N ASN A 37 -13.449 -3.667 -2.053 1.00 0.00 N ATOM 617 CA ASN A 37 -14.253 -4.697 -2.767 1.00 0.00 C ATOM 618 C ASN A 37 -14.517 -4.266 -4.212 1.00 0.00 C ATOM 619 O ASN A 37 -14.108 -4.919 -5.148 1.00 0.00 O ATOM 620 CB ASN A 37 -15.589 -4.884 -2.045 1.00 0.00 C ATOM 621 CG ASN A 37 -16.394 -5.982 -2.744 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.474 -6.013 -3.957 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.999 -6.890 -2.028 1.00 0.00 N ATOM 0 H ASN A 37 -13.933 -3.190 -1.292 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.696 -5.634 -2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.417 -5.151 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.150 -3.949 -2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.538 -7.625 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.933 -6.865 -1.010 1.00 0.00 H new ATOM 630 N ASN A 38 -15.218 -3.186 -4.405 1.00 0.00 N ATOM 631 CA ASN A 38 -15.530 -2.741 -5.795 1.00 0.00 C ATOM 632 C ASN A 38 -14.262 -2.719 -6.657 1.00 0.00 C ATOM 633 O ASN A 38 -14.212 -3.322 -7.712 1.00 0.00 O ATOM 634 CB ASN A 38 -16.140 -1.337 -5.764 1.00 0.00 C ATOM 635 CG ASN A 38 -16.483 -0.893 -7.190 1.00 0.00 C ATOM 636 OD1 ASN A 38 -16.702 0.278 -7.434 1.00 0.00 O ATOM 637 ND2 ASN A 38 -16.538 -1.779 -8.149 1.00 0.00 N ATOM 0 H ASN A 38 -15.589 -2.591 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.240 -3.446 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.038 -1.333 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.439 -0.635 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.764 -1.488 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -16.355 -2.762 -7.947 1.00 0.00 H new ATOM 644 N GLU A 39 -13.251 -2.010 -6.239 1.00 0.00 N ATOM 645 CA GLU A 39 -12.006 -1.931 -7.060 1.00 0.00 C ATOM 646 C GLU A 39 -11.248 -3.264 -7.049 1.00 0.00 C ATOM 647 O GLU A 39 -11.251 -3.994 -8.020 1.00 0.00 O ATOM 648 CB GLU A 39 -11.101 -0.830 -6.507 1.00 0.00 C ATOM 649 CG GLU A 39 -11.904 0.465 -6.364 1.00 0.00 C ATOM 650 CD GLU A 39 -12.570 0.799 -7.699 1.00 0.00 C ATOM 651 OE1 GLU A 39 -13.685 0.351 -7.911 1.00 0.00 O ATOM 652 OE2 GLU A 39 -11.953 1.497 -8.486 1.00 0.00 O ATOM 0 H GLU A 39 -13.231 -1.482 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.289 -1.705 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.696 -1.128 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.252 -0.673 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.659 0.354 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.249 1.280 -6.058 1.00 0.00 H new ATOM 659 N LEU A 40 -10.579 -3.581 -5.972 1.00 0.00 N ATOM 660 CA LEU A 40 -9.807 -4.849 -5.925 1.00 0.00 C ATOM 661 C LEU A 40 -10.745 -6.049 -6.097 1.00 0.00 C ATOM 662 O LEU A 40 -11.107 -6.406 -7.202 1.00 0.00 O ATOM 663 CB LEU A 40 -9.072 -4.939 -4.583 1.00 0.00 C ATOM 664 CG LEU A 40 -8.060 -3.790 -4.454 1.00 0.00 C ATOM 665 CD1 LEU A 40 -6.999 -4.156 -3.414 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.371 -3.543 -5.801 1.00 0.00 C ATOM 0 H LEU A 40 -10.536 -3.014 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.082 -4.862 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.789 -4.895 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.558 -5.897 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.589 -2.888 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.282 -3.340 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.478 -4.327 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.480 -5.062 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.656 -2.727 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.848 -4.447 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.119 -3.279 -6.549 1.00 0.00 H new ATOM 678 N SER A 41 -11.138 -6.679 -5.020 1.00 0.00 N ATOM 679 CA SER A 41 -12.046 -7.862 -5.128 1.00 0.00 C ATOM 680 C SER A 41 -11.620 -8.736 -6.310 1.00 0.00 C ATOM 681 O SER A 41 -12.445 -9.234 -7.052 1.00 0.00 O ATOM 682 CB SER A 41 -13.482 -7.392 -5.348 1.00 0.00 C ATOM 683 OG SER A 41 -14.288 -8.503 -5.716 1.00 0.00 O ATOM 0 H SER A 41 -10.869 -6.426 -4.069 1.00 0.00 H new ATOM 0 HA SER A 41 -11.986 -8.439 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.870 -6.932 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.513 -6.631 -6.128 1.00 0.00 H new ATOM 0 HG SER A 41 -14.080 -8.768 -6.636 1.00 0.00 H new ATOM 689 N HIS A 42 -10.344 -8.923 -6.498 1.00 0.00 N ATOM 690 CA HIS A 42 -9.877 -9.760 -7.639 1.00 0.00 C ATOM 691 C HIS A 42 -9.222 -11.036 -7.107 1.00 0.00 C ATOM 692 O HIS A 42 -9.119 -12.028 -7.802 1.00 0.00 O ATOM 693 CB HIS A 42 -8.862 -8.969 -8.465 1.00 0.00 C ATOM 694 CG HIS A 42 -9.178 -9.121 -9.927 1.00 0.00 C ATOM 695 ND1 HIS A 42 -10.217 -8.434 -10.536 1.00 0.00 N ATOM 696 CD2 HIS A 42 -8.600 -9.880 -10.915 1.00 0.00 C ATOM 697 CE1 HIS A 42 -10.232 -8.791 -11.834 1.00 0.00 C ATOM 698 NE2 HIS A 42 -9.267 -9.670 -12.118 1.00 0.00 N ATOM 0 H HIS A 42 -9.605 -8.534 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 42 -10.728 -10.028 -8.266 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -8.890 -7.916 -8.184 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.853 -9.327 -8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.756 -10.540 -10.779 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.939 -8.413 -12.558 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -9.063 -10.096 -13.022 1.00 0.00 H new ATOM 706 N PHE A 43 -8.779 -11.021 -5.882 1.00 0.00 N ATOM 707 CA PHE A 43 -8.132 -12.235 -5.307 1.00 0.00 C ATOM 708 C PHE A 43 -8.774 -12.564 -3.959 1.00 0.00 C ATOM 709 O PHE A 43 -8.138 -13.093 -3.070 1.00 0.00 O ATOM 710 CB PHE A 43 -6.635 -11.975 -5.110 1.00 0.00 C ATOM 711 CG PHE A 43 -6.411 -10.516 -4.793 1.00 0.00 C ATOM 712 CD1 PHE A 43 -7.125 -9.908 -3.752 1.00 0.00 C ATOM 713 CD2 PHE A 43 -5.493 -9.769 -5.541 1.00 0.00 C ATOM 714 CE1 PHE A 43 -6.920 -8.554 -3.459 1.00 0.00 C ATOM 715 CE2 PHE A 43 -5.288 -8.415 -5.248 1.00 0.00 C ATOM 716 CZ PHE A 43 -6.001 -7.808 -4.207 1.00 0.00 C ATOM 0 H PHE A 43 -8.836 -10.221 -5.252 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.267 -13.074 -5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.251 -12.596 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.086 -12.250 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.834 -10.484 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.943 -10.237 -6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.470 -8.085 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.580 -7.839 -5.825 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.842 -6.764 -3.981 1.00 0.00 H new ATOM 726 N LEU A 44 -10.032 -12.253 -3.799 1.00 0.00 N ATOM 727 CA LEU A 44 -10.713 -12.549 -2.508 1.00 0.00 C ATOM 728 C LEU A 44 -11.644 -13.751 -2.684 1.00 0.00 C ATOM 729 O LEU A 44 -12.598 -13.704 -3.436 1.00 0.00 O ATOM 730 CB LEU A 44 -11.529 -11.331 -2.068 1.00 0.00 C ATOM 731 CG LEU A 44 -11.705 -11.355 -0.549 1.00 0.00 C ATOM 732 CD1 LEU A 44 -12.503 -12.597 -0.146 1.00 0.00 C ATOM 733 CD2 LEU A 44 -10.330 -11.393 0.122 1.00 0.00 C ATOM 0 H LEU A 44 -10.616 -11.807 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.965 -12.778 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.025 -10.414 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.503 -11.337 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.241 -10.461 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.628 -12.614 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.482 -12.571 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.968 -13.492 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.454 -11.410 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.794 -12.287 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.761 -10.508 -0.164 1.00 0.00 H new ATOM 745 N GLU A 45 -11.375 -14.828 -1.999 1.00 0.00 N ATOM 746 CA GLU A 45 -12.247 -16.030 -2.130 1.00 0.00 C ATOM 747 C GLU A 45 -12.374 -16.726 -0.774 1.00 0.00 C ATOM 748 O GLU A 45 -13.457 -16.885 -0.245 1.00 0.00 O ATOM 749 CB GLU A 45 -11.648 -17.005 -3.153 1.00 0.00 C ATOM 750 CG GLU A 45 -10.137 -16.778 -3.281 1.00 0.00 C ATOM 751 CD GLU A 45 -9.487 -18.012 -3.912 1.00 0.00 C ATOM 752 OE1 GLU A 45 -9.643 -18.192 -5.109 1.00 0.00 O ATOM 753 OE2 GLU A 45 -8.845 -18.755 -3.188 1.00 0.00 O ATOM 0 H GLU A 45 -10.590 -14.928 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.234 -15.716 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.844 -18.032 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.127 -16.866 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.941 -15.898 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.703 -16.587 -2.300 1.00 0.00 H new ATOM 760 N GLU A 46 -11.277 -17.142 -0.207 1.00 0.00 N ATOM 761 CA GLU A 46 -11.330 -17.829 1.114 1.00 0.00 C ATOM 762 C GLU A 46 -10.737 -16.916 2.190 1.00 0.00 C ATOM 763 O GLU A 46 -11.030 -17.050 3.361 1.00 0.00 O ATOM 764 CB GLU A 46 -10.525 -19.128 1.044 1.00 0.00 C ATOM 765 CG GLU A 46 -11.413 -20.252 0.505 1.00 0.00 C ATOM 766 CD GLU A 46 -10.637 -21.570 0.522 1.00 0.00 C ATOM 767 OE1 GLU A 46 -10.113 -21.913 1.569 1.00 0.00 O ATOM 768 OE2 GLU A 46 -10.580 -22.215 -0.512 1.00 0.00 O ATOM 0 H GLU A 46 -10.343 -17.036 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.366 -18.057 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.657 -18.995 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.150 -19.389 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.314 -20.341 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.734 -20.020 -0.510 1.00 0.00 H new ATOM 775 N ILE A 47 -9.906 -15.988 1.802 1.00 0.00 N ATOM 776 CA ILE A 47 -9.297 -15.064 2.802 1.00 0.00 C ATOM 777 C ILE A 47 -8.435 -15.865 3.783 1.00 0.00 C ATOM 778 O ILE A 47 -8.821 -16.919 4.246 1.00 0.00 O ATOM 779 CB ILE A 47 -10.408 -14.343 3.570 1.00 0.00 C ATOM 780 CG1 ILE A 47 -11.245 -13.511 2.595 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.789 -13.420 4.622 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.571 -13.127 3.256 1.00 0.00 C ATOM 0 H ILE A 47 -9.622 -15.829 0.835 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.674 -14.332 2.288 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.044 -15.079 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.698 -12.614 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.432 -14.079 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.581 -12.908 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.192 -14.010 5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.152 -12.684 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.166 -12.535 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.119 -14.030 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.374 -12.542 4.154 1.00 0.00 H new ATOM 794 N LYS A 48 -7.271 -15.367 4.106 1.00 0.00 N ATOM 795 CA LYS A 48 -6.390 -16.094 5.064 1.00 0.00 C ATOM 796 C LYS A 48 -6.334 -15.317 6.378 1.00 0.00 C ATOM 797 O LYS A 48 -6.816 -15.769 7.398 1.00 0.00 O ATOM 798 CB LYS A 48 -4.978 -16.210 4.483 1.00 0.00 C ATOM 799 CG LYS A 48 -4.274 -17.427 5.089 1.00 0.00 C ATOM 800 CD LYS A 48 -2.842 -17.512 4.555 1.00 0.00 C ATOM 801 CE LYS A 48 -1.943 -18.168 5.606 1.00 0.00 C ATOM 802 NZ LYS A 48 -1.456 -17.130 6.560 1.00 0.00 N ATOM 0 H LYS A 48 -6.893 -14.490 3.748 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.789 -17.093 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.027 -16.308 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.410 -15.304 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.263 -17.349 6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.820 -18.337 4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.821 -18.090 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.472 -16.515 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.495 -18.940 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.098 -18.658 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.845 -17.575 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.915 -16.409 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.268 -16.682 7.030 1.00 0.00 H new ATOM 816 N GLU A 49 -5.755 -14.147 6.361 1.00 0.00 N ATOM 817 CA GLU A 49 -5.677 -13.338 7.610 1.00 0.00 C ATOM 818 C GLU A 49 -7.086 -12.891 8.004 1.00 0.00 C ATOM 819 O GLU A 49 -7.529 -11.816 7.651 1.00 0.00 O ATOM 820 CB GLU A 49 -4.801 -12.105 7.370 1.00 0.00 C ATOM 821 CG GLU A 49 -3.363 -12.410 7.794 1.00 0.00 C ATOM 822 CD GLU A 49 -3.272 -12.417 9.321 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.103 -11.779 9.947 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.374 -13.063 9.838 1.00 0.00 O ATOM 0 H GLU A 49 -5.333 -13.717 5.538 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.242 -13.939 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.829 -11.825 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.186 -11.257 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.052 -13.376 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.685 -11.663 7.382 1.00 0.00 H new ATOM 831 N GLN A 50 -7.797 -13.711 8.727 1.00 0.00 N ATOM 832 CA GLN A 50 -9.177 -13.333 9.138 1.00 0.00 C ATOM 833 C GLN A 50 -9.121 -12.097 10.038 1.00 0.00 C ATOM 834 O GLN A 50 -10.069 -11.345 10.136 1.00 0.00 O ATOM 835 CB GLN A 50 -9.819 -14.494 9.902 1.00 0.00 C ATOM 836 CG GLN A 50 -11.263 -14.134 10.260 1.00 0.00 C ATOM 837 CD GLN A 50 -12.082 -15.415 10.430 1.00 0.00 C ATOM 838 OE1 GLN A 50 -12.838 -15.787 9.555 1.00 0.00 O ATOM 839 NE2 GLN A 50 -11.963 -16.111 11.528 1.00 0.00 N ATOM 0 H GLN A 50 -7.482 -14.626 9.051 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.771 -13.110 8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.799 -15.399 9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.251 -14.706 10.808 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.286 -13.550 11.180 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.699 -13.513 9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.328 -15.799 12.263 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.505 -16.967 11.651 1.00 0.00 H new ATOM 848 N GLU A 51 -8.017 -11.885 10.700 1.00 0.00 N ATOM 849 CA GLU A 51 -7.903 -10.699 11.596 1.00 0.00 C ATOM 850 C GLU A 51 -7.584 -9.450 10.770 1.00 0.00 C ATOM 851 O GLU A 51 -8.005 -8.358 11.097 1.00 0.00 O ATOM 852 CB GLU A 51 -6.788 -10.938 12.616 1.00 0.00 C ATOM 853 CG GLU A 51 -7.365 -11.633 13.851 1.00 0.00 C ATOM 854 CD GLU A 51 -7.156 -13.144 13.733 1.00 0.00 C ATOM 855 OE1 GLU A 51 -8.014 -13.797 13.161 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.143 -13.622 14.216 1.00 0.00 O ATOM 0 H GLU A 51 -7.190 -12.481 10.660 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.849 -10.550 12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.002 -11.551 12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.331 -9.990 12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.880 -11.258 14.752 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.428 -11.409 13.944 1.00 0.00 H new ATOM 863 N VAL A 52 -6.841 -9.599 9.706 1.00 0.00 N ATOM 864 CA VAL A 52 -6.494 -8.414 8.868 1.00 0.00 C ATOM 865 C VAL A 52 -7.725 -7.954 8.086 1.00 0.00 C ATOM 866 O VAL A 52 -8.044 -6.782 8.047 1.00 0.00 O ATOM 867 CB VAL A 52 -5.386 -8.789 7.885 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.031 -7.572 7.032 1.00 0.00 C ATOM 869 CG2 VAL A 52 -4.150 -9.245 8.660 1.00 0.00 C ATOM 0 H VAL A 52 -6.460 -10.488 9.381 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.153 -7.607 9.516 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.730 -9.598 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.241 -7.838 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.912 -7.245 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.687 -6.764 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.359 -9.513 7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.805 -8.436 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.403 -10.112 9.270 1.00 0.00 H new ATOM 879 N VAL A 53 -8.418 -8.863 7.459 1.00 0.00 N ATOM 880 CA VAL A 53 -9.622 -8.464 6.679 1.00 0.00 C ATOM 881 C VAL A 53 -10.770 -8.164 7.643 1.00 0.00 C ATOM 882 O VAL A 53 -11.664 -7.401 7.342 1.00 0.00 O ATOM 883 CB VAL A 53 -10.028 -9.604 5.744 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.261 -9.188 4.940 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.875 -9.912 4.787 1.00 0.00 C ATOM 0 H VAL A 53 -8.204 -9.860 7.453 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.396 -7.576 6.089 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.260 -10.492 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.551 -10.000 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.082 -8.967 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.029 -8.300 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.163 -10.724 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.643 -9.024 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.996 -10.207 5.360 1.00 0.00 H new ATOM 895 N ASP A 54 -10.748 -8.761 8.801 1.00 0.00 N ATOM 896 CA ASP A 54 -11.833 -8.511 9.787 1.00 0.00 C ATOM 897 C ASP A 54 -11.558 -7.198 10.522 1.00 0.00 C ATOM 898 O ASP A 54 -12.463 -6.560 11.018 1.00 0.00 O ATOM 899 CB ASP A 54 -11.885 -9.660 10.796 1.00 0.00 C ATOM 900 CG ASP A 54 -13.021 -9.415 11.790 1.00 0.00 C ATOM 901 OD1 ASP A 54 -14.145 -9.235 11.346 1.00 0.00 O ATOM 902 OD2 ASP A 54 -12.751 -9.414 12.980 1.00 0.00 O ATOM 0 H ASP A 54 -10.025 -9.412 9.107 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.788 -8.445 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.039 -10.606 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.935 -9.737 11.325 1.00 0.00 H new ATOM 907 N LYS A 55 -10.320 -6.780 10.600 1.00 0.00 N ATOM 908 CA LYS A 55 -10.023 -5.503 11.309 1.00 0.00 C ATOM 909 C LYS A 55 -10.389 -4.325 10.402 1.00 0.00 C ATOM 910 O LYS A 55 -10.930 -3.333 10.851 1.00 0.00 O ATOM 911 CB LYS A 55 -8.536 -5.436 11.683 1.00 0.00 C ATOM 912 CG LYS A 55 -7.670 -5.543 10.425 1.00 0.00 C ATOM 913 CD LYS A 55 -6.242 -5.089 10.742 1.00 0.00 C ATOM 914 CE LYS A 55 -5.772 -5.737 12.048 1.00 0.00 C ATOM 915 NZ LYS A 55 -5.770 -4.715 13.133 1.00 0.00 N ATOM 0 H LYS A 55 -9.512 -7.263 10.208 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.612 -5.454 12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.325 -4.500 12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.290 -6.243 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.663 -6.571 10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.090 -4.927 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.573 -5.365 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.206 -4.003 10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.430 -6.565 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.772 -6.152 11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.053 -4.965 13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.548 -3.782 12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.707 -4.684 13.583 1.00 0.00 H new ATOM 929 N VAL A 56 -10.111 -4.427 9.130 1.00 0.00 N ATOM 930 CA VAL A 56 -10.459 -3.315 8.209 1.00 0.00 C ATOM 931 C VAL A 56 -11.938 -3.424 7.846 1.00 0.00 C ATOM 932 O VAL A 56 -12.627 -2.438 7.676 1.00 0.00 O ATOM 933 CB VAL A 56 -9.610 -3.414 6.941 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.206 -2.872 7.219 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.507 -4.875 6.493 1.00 0.00 C ATOM 0 H VAL A 56 -9.660 -5.231 8.693 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.265 -2.358 8.693 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.081 -2.827 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.603 -2.944 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.273 -1.829 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.741 -3.457 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.901 -4.937 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.043 -5.466 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.504 -5.264 6.288 1.00 0.00 H new ATOM 945 N MET A 57 -12.425 -4.625 7.739 1.00 0.00 N ATOM 946 CA MET A 57 -13.857 -4.834 7.399 1.00 0.00 C ATOM 947 C MET A 57 -14.705 -4.529 8.634 1.00 0.00 C ATOM 948 O MET A 57 -15.858 -4.157 8.531 1.00 0.00 O ATOM 949 CB MET A 57 -14.056 -6.292 6.977 1.00 0.00 C ATOM 950 CG MET A 57 -15.487 -6.497 6.482 1.00 0.00 C ATOM 951 SD MET A 57 -15.464 -7.409 4.916 1.00 0.00 S ATOM 952 CE MET A 57 -14.586 -6.169 3.930 1.00 0.00 C ATOM 0 H MET A 57 -11.886 -5.481 7.874 1.00 0.00 H new ATOM 0 HA MET A 57 -14.156 -4.177 6.582 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.348 -6.552 6.190 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.854 -6.955 7.819 1.00 0.00 H new ATOM 0 HG2 MET A 57 -16.065 -7.046 7.226 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.977 -5.533 6.346 1.00 0.00 H new ATOM 0 HE1 MET A 57 -15.004 -6.142 2.924 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.696 -5.189 4.395 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.529 -6.428 3.877 1.00 0.00 H new ATOM 962 N GLU A 58 -14.140 -4.668 9.805 1.00 0.00 N ATOM 963 CA GLU A 58 -14.915 -4.364 11.041 1.00 0.00 C ATOM 964 C GLU A 58 -14.921 -2.850 11.251 1.00 0.00 C ATOM 965 O GLU A 58 -15.958 -2.245 11.440 1.00 0.00 O ATOM 966 CB GLU A 58 -14.271 -5.044 12.251 1.00 0.00 C ATOM 967 CG GLU A 58 -14.725 -6.504 12.324 1.00 0.00 C ATOM 968 CD GLU A 58 -14.024 -7.199 13.494 1.00 0.00 C ATOM 969 OE1 GLU A 58 -12.998 -6.699 13.926 1.00 0.00 O ATOM 970 OE2 GLU A 58 -14.527 -8.217 13.940 1.00 0.00 O ATOM 0 H GLU A 58 -13.180 -4.977 9.957 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.934 -4.736 10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.185 -4.994 12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.549 -4.520 13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.806 -6.554 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.491 -7.016 11.390 1.00 0.00 H new ATOM 977 N THR A 59 -13.772 -2.228 11.200 1.00 0.00 N ATOM 978 CA THR A 59 -13.728 -0.750 11.374 1.00 0.00 C ATOM 979 C THR A 59 -14.494 -0.118 10.216 1.00 0.00 C ATOM 980 O THR A 59 -15.080 0.940 10.337 1.00 0.00 O ATOM 981 CB THR A 59 -12.273 -0.271 11.351 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.462 -1.194 12.065 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.179 1.109 12.002 1.00 0.00 C ATOM 0 H THR A 59 -12.869 -2.678 11.046 1.00 0.00 H new ATOM 0 HA THR A 59 -14.175 -0.466 12.327 1.00 0.00 H new ATOM 0 HB THR A 59 -11.926 -0.206 10.320 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.000 -1.782 11.431 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.144 1.449 11.985 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.802 1.814 11.451 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.525 1.049 13.034 1.00 0.00 H new ATOM 991 N LEU A 60 -14.495 -0.781 9.094 1.00 0.00 N ATOM 992 CA LEU A 60 -15.221 -0.261 7.907 1.00 0.00 C ATOM 993 C LEU A 60 -16.725 -0.294 8.185 1.00 0.00 C ATOM 994 O LEU A 60 -17.407 0.710 8.106 1.00 0.00 O ATOM 995 CB LEU A 60 -14.894 -1.157 6.708 1.00 0.00 C ATOM 996 CG LEU A 60 -13.710 -0.567 5.943 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.236 -1.565 4.884 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.140 0.734 5.261 1.00 0.00 C ATOM 0 H LEU A 60 -14.018 -1.671 8.949 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.920 0.765 7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.656 -2.165 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.761 -1.237 6.053 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.896 -0.362 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.392 -1.143 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.929 -2.492 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.050 -1.772 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.296 1.155 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.955 0.529 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.476 1.446 6.015 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.243 -1.444 8.516 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.701 -1.560 8.805 1.00 0.00 C ATOM 1012 C ASP A 61 -18.985 -1.085 10.234 1.00 0.00 C ATOM 1013 O ASP A 61 -20.113 -1.089 10.684 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.128 -3.023 8.662 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.428 -3.101 7.860 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -20.539 -2.388 6.876 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.292 -3.873 8.242 1.00 0.00 O ATOM 0 H ASP A 61 -16.717 -2.314 8.599 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.260 -0.942 8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.345 -3.594 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.269 -3.469 9.646 1.00 0.00 H new ATOM 1022 N GLU A 62 -17.972 -0.682 10.953 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.193 -0.214 12.352 1.00 0.00 C ATOM 1024 C GLU A 62 -18.706 1.227 12.338 1.00 0.00 C ATOM 1025 O GLU A 62 -19.543 1.608 13.132 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.874 -0.280 13.127 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.068 0.326 14.519 1.00 0.00 C ATOM 1028 CD GLU A 62 -15.850 0.009 15.390 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -14.901 -0.553 14.867 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -15.886 0.336 16.565 1.00 0.00 O ATOM 0 H GLU A 62 -17.004 -0.657 10.633 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.931 -0.855 12.835 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.542 -1.315 13.212 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.096 0.261 12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.202 1.405 14.442 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.971 -0.075 14.979 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.210 2.029 11.439 1.00 0.00 N ATOM 1038 CA ASP A 63 -18.667 3.445 11.370 1.00 0.00 C ATOM 1039 C ASP A 63 -19.574 3.629 10.153 1.00 0.00 C ATOM 1040 O ASP A 63 -20.760 3.860 10.278 1.00 0.00 O ATOM 1041 CB ASP A 63 -17.452 4.367 11.245 1.00 0.00 C ATOM 1042 CG ASP A 63 -17.416 5.332 12.431 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -17.970 4.993 13.464 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -16.836 6.395 12.286 1.00 0.00 O ATOM 0 H ASP A 63 -17.507 1.766 10.748 1.00 0.00 H new ATOM 0 HA ASP A 63 -19.220 3.693 12.276 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.536 3.777 11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.501 4.925 10.310 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.023 3.524 8.979 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.850 3.690 7.748 1.00 0.00 C ATOM 1051 C GLY A 64 -19.946 5.174 7.388 1.00 0.00 C ATOM 1052 O GLY A 64 -19.631 5.576 6.286 1.00 0.00 O ATOM 0 H GLY A 64 -18.035 3.330 8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.406 3.133 6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.847 3.280 7.910 1.00 0.00 H new ATOM 1056 N ASP A 65 -20.383 5.994 8.308 1.00 0.00 N ATOM 1057 CA ASP A 65 -20.501 7.451 8.012 1.00 0.00 C ATOM 1058 C ASP A 65 -19.300 8.194 8.601 1.00 0.00 C ATOM 1059 O ASP A 65 -19.358 9.380 8.861 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.789 7.996 8.634 1.00 0.00 C ATOM 1061 CG ASP A 65 -22.076 9.389 8.071 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -21.584 9.683 6.994 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.783 10.138 8.725 1.00 0.00 O ATOM 0 H ASP A 65 -20.663 5.718 9.249 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.526 7.599 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.621 7.326 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.690 8.043 9.718 1.00 0.00 H new ATOM 1068 N GLY A 66 -18.211 7.506 8.813 1.00 0.00 N ATOM 1069 CA GLY A 66 -17.008 8.170 9.384 1.00 0.00 C ATOM 1070 C GLY A 66 -16.067 8.588 8.252 1.00 0.00 C ATOM 1071 O GLY A 66 -16.159 8.101 7.142 1.00 0.00 O ATOM 0 H GLY A 66 -18.104 6.511 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.304 9.043 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.495 7.492 10.066 1.00 0.00 H new ATOM 1075 N GLU A 67 -15.162 9.488 8.523 1.00 0.00 N ATOM 1076 CA GLU A 67 -14.217 9.938 7.464 1.00 0.00 C ATOM 1077 C GLU A 67 -12.845 9.299 7.700 1.00 0.00 C ATOM 1078 O GLU A 67 -12.452 9.047 8.822 1.00 0.00 O ATOM 1079 CB GLU A 67 -14.090 11.461 7.512 1.00 0.00 C ATOM 1080 CG GLU A 67 -13.817 11.907 8.949 1.00 0.00 C ATOM 1081 CD GLU A 67 -13.280 13.339 8.945 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -14.088 14.253 8.899 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -12.071 13.498 8.989 1.00 0.00 O ATOM 0 H GLU A 67 -15.037 9.931 9.433 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.592 9.636 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.282 11.790 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.006 11.924 7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.732 11.852 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.095 11.238 9.418 1.00 0.00 H new ATOM 1090 N CYS A 68 -12.114 9.032 6.650 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.769 8.405 6.819 1.00 0.00 C ATOM 1092 C CYS A 68 -9.691 9.354 6.291 1.00 0.00 C ATOM 1093 O CYS A 68 -9.984 10.383 5.714 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.713 7.089 6.037 1.00 0.00 C ATOM 1095 SG CYS A 68 -12.308 6.243 6.160 1.00 0.00 S ATOM 0 H CYS A 68 -12.388 9.220 5.686 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.595 8.207 7.877 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.473 7.285 4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.921 6.453 6.432 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.260 5.128 5.494 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.444 9.016 6.483 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.347 9.897 5.990 1.00 0.00 C ATOM 1103 C ASP A 69 -6.667 9.229 4.793 1.00 0.00 C ATOM 1104 O ASP A 69 -7.062 8.165 4.358 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.323 10.113 7.107 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.879 11.113 8.124 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.419 12.122 7.699 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.756 10.853 9.310 1.00 0.00 O ATOM 0 H ASP A 69 -8.138 8.168 6.960 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.757 10.860 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.099 9.166 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.387 10.485 6.690 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.649 9.840 4.252 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.959 9.224 3.083 1.00 0.00 C ATOM 1115 C PHE A 70 -4.004 8.134 3.574 1.00 0.00 C ATOM 1116 O PHE A 70 -3.804 7.132 2.916 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.184 10.293 2.301 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.273 11.068 3.226 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -3.746 12.215 3.880 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -1.950 10.651 3.416 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -2.898 12.940 4.724 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -1.102 11.377 4.262 1.00 0.00 C ATOM 1123 CZ PHE A 70 -1.575 12.520 4.915 1.00 0.00 C ATOM 0 H PHE A 70 -5.267 10.732 4.566 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.702 8.781 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.597 9.822 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.882 10.974 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.766 12.539 3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.583 9.770 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.263 13.823 5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.082 11.054 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.920 13.079 5.567 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.425 8.307 4.730 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.503 7.261 5.257 1.00 0.00 C ATOM 1135 C GLN A 71 -3.339 6.127 5.847 1.00 0.00 C ATOM 1136 O GLN A 71 -2.898 4.999 5.942 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.611 7.856 6.351 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.726 8.951 5.753 1.00 0.00 C ATOM 1139 CD GLN A 71 0.717 8.761 6.228 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.387 9.716 6.567 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.227 7.559 6.266 1.00 0.00 N ATOM 0 H GLN A 71 -3.549 9.123 5.330 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.873 6.886 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.226 8.268 7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.992 7.076 6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.769 8.914 4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.092 9.933 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.665 6.757 5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.188 7.422 6.580 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.550 6.420 6.237 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.426 5.366 6.813 1.00 0.00 C ATOM 1152 C GLU A 72 -5.969 4.499 5.678 1.00 0.00 C ATOM 1153 O GLU A 72 -5.812 3.294 5.675 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.586 6.031 7.560 1.00 0.00 C ATOM 1155 CG GLU A 72 -6.187 6.266 9.017 1.00 0.00 C ATOM 1156 CD GLU A 72 -7.326 5.821 9.935 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -7.851 4.741 9.714 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -7.655 6.567 10.843 1.00 0.00 O ATOM 0 H GLU A 72 -4.970 7.348 6.180 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.861 4.744 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.843 6.978 7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.473 5.399 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.279 5.710 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.966 7.321 9.179 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.597 5.104 4.706 1.00 0.00 N ATOM 1166 CA PHE A 73 -7.134 4.315 3.562 1.00 0.00 C ATOM 1167 C PHE A 73 -5.956 3.650 2.840 1.00 0.00 C ATOM 1168 O PHE A 73 -6.098 2.629 2.196 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.912 5.263 2.619 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.273 5.325 1.244 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.146 6.127 1.031 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -7.807 4.573 0.189 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.551 6.178 -0.236 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.213 4.626 -1.078 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.085 5.429 -1.291 1.00 0.00 C ATOM 0 H PHE A 73 -6.761 6.109 4.655 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.819 3.539 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.943 4.922 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.945 6.263 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.735 6.707 1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.676 3.953 0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.680 6.795 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.625 4.047 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.628 5.470 -2.269 1.00 0.00 H new ATOM 1185 N MET A 74 -4.796 4.235 2.945 1.00 0.00 N ATOM 1186 CA MET A 74 -3.600 3.661 2.271 1.00 0.00 C ATOM 1187 C MET A 74 -3.175 2.379 2.992 1.00 0.00 C ATOM 1188 O MET A 74 -3.009 1.340 2.384 1.00 0.00 O ATOM 1189 CB MET A 74 -2.461 4.684 2.321 1.00 0.00 C ATOM 1190 CG MET A 74 -2.389 5.458 1.000 1.00 0.00 C ATOM 1191 SD MET A 74 -2.206 4.312 -0.396 1.00 0.00 S ATOM 1192 CE MET A 74 -1.164 3.084 0.430 1.00 0.00 C ATOM 0 H MET A 74 -4.625 5.091 3.472 1.00 0.00 H new ATOM 0 HA MET A 74 -3.836 3.426 1.233 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.619 5.376 3.148 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.514 4.177 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.291 6.056 0.872 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.548 6.151 1.023 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.514 2.606 -0.303 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.555 3.575 1.189 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.794 2.330 0.902 1.00 0.00 H new ATOM 1202 N ALA A 75 -3.002 2.441 4.284 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.594 1.222 5.038 1.00 0.00 C ATOM 1204 C ALA A 75 -3.748 0.217 5.026 1.00 0.00 C ATOM 1205 O ALA A 75 -3.557 -0.966 5.229 1.00 0.00 O ATOM 1206 CB ALA A 75 -2.264 1.600 6.485 1.00 0.00 C ATOM 0 H ALA A 75 -3.125 3.281 4.849 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.714 0.780 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.966 0.708 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.448 2.322 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.143 2.040 6.956 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.944 0.684 4.785 1.00 0.00 N ATOM 1213 CA PHE A 76 -6.120 -0.233 4.755 1.00 0.00 C ATOM 1214 C PHE A 76 -6.099 -1.041 3.455 1.00 0.00 C ATOM 1215 O PHE A 76 -6.480 -2.194 3.422 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.408 0.596 4.819 1.00 0.00 C ATOM 1217 CG PHE A 76 -8.044 0.451 6.182 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -7.333 0.822 7.331 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.346 -0.051 6.298 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.924 0.690 8.594 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.937 -0.182 7.560 1.00 0.00 C ATOM 1222 CZ PHE A 76 -9.226 0.189 8.708 1.00 0.00 C ATOM 0 H PHE A 76 -5.158 1.665 4.607 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.079 -0.912 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.186 1.645 4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.103 0.266 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.329 1.210 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.895 -0.337 5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.375 0.975 9.480 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.941 -0.569 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.682 0.089 9.682 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.659 -0.440 2.384 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.613 -1.161 1.079 1.00 0.00 C ATOM 1234 C VAL A 77 -4.474 -2.186 1.092 1.00 0.00 C ATOM 1235 O VAL A 77 -4.504 -3.170 0.382 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.367 -0.145 -0.040 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.260 -0.871 -1.382 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.531 0.849 -0.089 1.00 0.00 C ATOM 0 H VAL A 77 -5.328 0.524 2.356 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.558 -1.678 0.914 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.437 0.389 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.085 -0.145 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.431 -1.578 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.187 -1.408 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.358 1.573 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.460 0.312 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.605 1.370 0.866 1.00 0.00 H new ATOM 1248 N SER A 78 -3.464 -1.955 1.883 1.00 0.00 N ATOM 1249 CA SER A 78 -2.316 -2.908 1.926 1.00 0.00 C ATOM 1250 C SER A 78 -2.667 -4.137 2.775 1.00 0.00 C ATOM 1251 O SER A 78 -2.334 -5.254 2.427 1.00 0.00 O ATOM 1252 CB SER A 78 -1.103 -2.203 2.536 1.00 0.00 C ATOM 1253 OG SER A 78 -0.783 -1.060 1.752 1.00 0.00 O ATOM 0 H SER A 78 -3.382 -1.148 2.502 1.00 0.00 H new ATOM 0 HA SER A 78 -2.091 -3.236 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.318 -1.906 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.252 -2.883 2.573 1.00 0.00 H new ATOM 0 HG SER A 78 -0.030 -0.584 2.160 1.00 0.00 H new ATOM 1259 N MET A 79 -3.321 -3.945 3.887 1.00 0.00 N ATOM 1260 CA MET A 79 -3.671 -5.108 4.753 1.00 0.00 C ATOM 1261 C MET A 79 -4.589 -6.075 3.997 1.00 0.00 C ATOM 1262 O MET A 79 -4.439 -7.278 4.080 1.00 0.00 O ATOM 1263 CB MET A 79 -4.388 -4.606 6.010 1.00 0.00 C ATOM 1264 CG MET A 79 -3.765 -3.285 6.471 1.00 0.00 C ATOM 1265 SD MET A 79 -3.318 -3.404 8.222 1.00 0.00 S ATOM 1266 CE MET A 79 -4.279 -1.982 8.800 1.00 0.00 C ATOM 0 H MET A 79 -3.628 -3.036 4.234 1.00 0.00 H new ATOM 0 HA MET A 79 -2.756 -5.632 5.031 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.449 -4.465 5.803 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.314 -5.350 6.803 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.881 -3.060 5.874 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.469 -2.467 6.320 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.147 -1.867 9.876 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.935 -1.080 8.294 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.334 -2.142 8.579 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.549 -5.564 3.277 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.484 -6.460 2.537 1.00 0.00 C ATOM 1278 C VAL A 80 -5.849 -6.958 1.234 1.00 0.00 C ATOM 1279 O VAL A 80 -6.032 -8.095 0.844 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.768 -5.695 2.215 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.639 -5.620 3.469 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.425 -4.279 1.745 1.00 0.00 C ATOM 0 H VAL A 80 -5.727 -4.566 3.169 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.708 -7.323 3.165 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.309 -6.213 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.556 -5.075 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.888 -6.628 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.095 -5.103 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.344 -3.739 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.882 -3.756 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.804 -4.333 0.851 1.00 0.00 H new ATOM 1292 N THR A 81 -5.115 -6.125 0.548 1.00 0.00 N ATOM 1293 CA THR A 81 -4.489 -6.574 -0.732 1.00 0.00 C ATOM 1294 C THR A 81 -3.428 -7.641 -0.447 1.00 0.00 C ATOM 1295 O THR A 81 -2.878 -8.239 -1.351 1.00 0.00 O ATOM 1296 CB THR A 81 -3.843 -5.376 -1.436 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.813 -4.350 -1.602 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.315 -5.805 -2.808 1.00 0.00 C ATOM 0 H THR A 81 -4.922 -5.160 0.814 1.00 0.00 H new ATOM 0 HA THR A 81 -5.258 -7.000 -1.377 1.00 0.00 H new ATOM 0 HB THR A 81 -3.015 -5.005 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.008 -3.940 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.857 -4.950 -3.305 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.572 -6.593 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.140 -6.178 -3.415 1.00 0.00 H new ATOM 1306 N THR A 82 -3.135 -7.889 0.800 1.00 0.00 N ATOM 1307 CA THR A 82 -2.111 -8.922 1.130 1.00 0.00 C ATOM 1308 C THR A 82 -2.787 -10.128 1.789 1.00 0.00 C ATOM 1309 O THR A 82 -2.300 -11.238 1.715 1.00 0.00 O ATOM 1310 CB THR A 82 -1.080 -8.329 2.093 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.740 -7.489 3.031 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.053 -7.513 1.304 1.00 0.00 C ATOM 0 H THR A 82 -3.558 -7.423 1.603 1.00 0.00 H new ATOM 0 HA THR A 82 -1.615 -9.242 0.214 1.00 0.00 H new ATOM 0 HB THR A 82 -0.570 -9.134 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.654 -6.554 2.750 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.681 -7.091 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.451 -8.160 0.586 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.559 -6.707 0.773 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.903 -9.919 2.434 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.602 -11.059 3.096 1.00 0.00 C ATOM 1322 C ALA A 83 -4.841 -12.175 2.075 1.00 0.00 C ATOM 1323 O ALA A 83 -4.011 -13.041 1.882 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.944 -10.580 3.657 1.00 0.00 C ATOM 0 H ALA A 83 -4.360 -9.012 2.531 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.985 -11.440 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.454 -11.413 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.772 -9.788 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.562 -10.198 2.845 1.00 0.00 H new ATOM 1330 N CYS A 84 -5.970 -12.162 1.420 1.00 0.00 N ATOM 1331 CA CYS A 84 -6.262 -13.223 0.411 1.00 0.00 C ATOM 1332 C CYS A 84 -5.883 -14.594 0.979 1.00 0.00 C ATOM 1333 O CYS A 84 -5.609 -14.736 2.155 1.00 0.00 O ATOM 1334 CB CYS A 84 -5.448 -12.957 -0.859 1.00 0.00 C ATOM 1335 SG CYS A 84 -5.413 -11.178 -1.191 1.00 0.00 S ATOM 0 H CYS A 84 -6.703 -11.463 1.539 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.326 -13.211 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.433 -13.336 -0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.888 -13.487 -1.704 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.041 -10.931 -2.302 1.00 0.00 H new ATOM 1341 N HIS A 85 -5.866 -15.606 0.154 1.00 0.00 N ATOM 1342 CA HIS A 85 -5.505 -16.966 0.646 1.00 0.00 C ATOM 1343 C HIS A 85 -4.422 -17.563 -0.255 1.00 0.00 C ATOM 1344 O HIS A 85 -3.444 -18.114 0.213 1.00 0.00 O ATOM 1345 CB HIS A 85 -6.746 -17.862 0.617 1.00 0.00 C ATOM 1346 CG HIS A 85 -6.536 -19.049 1.520 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -5.423 -19.171 2.338 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -7.293 -20.172 1.748 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -5.541 -20.329 3.013 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -6.664 -20.979 2.690 1.00 0.00 N ATOM 0 H HIS A 85 -6.087 -15.549 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 85 -5.129 -16.897 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -7.621 -17.298 0.939 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.940 -18.198 -0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -8.235 -20.395 1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -4.817 -20.690 3.729 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -6.989 -21.874 3.056 1.00 0.00 H new ATOM 1358 N GLU A 86 -4.586 -17.453 -1.545 1.00 0.00 N ATOM 1359 CA GLU A 86 -3.564 -18.009 -2.477 1.00 0.00 C ATOM 1360 C GLU A 86 -2.520 -16.932 -2.779 1.00 0.00 C ATOM 1361 O GLU A 86 -1.993 -16.851 -3.870 1.00 0.00 O ATOM 1362 CB GLU A 86 -4.242 -18.440 -3.780 1.00 0.00 C ATOM 1363 CG GLU A 86 -4.777 -19.865 -3.634 1.00 0.00 C ATOM 1364 CD GLU A 86 -5.605 -20.227 -4.869 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -6.080 -19.315 -5.526 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -5.750 -21.409 -5.136 1.00 0.00 O ATOM 0 H GLU A 86 -5.383 -17.002 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.080 -18.871 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.057 -17.758 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.531 -18.390 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.950 -20.566 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.389 -19.945 -2.736 1.00 0.00 H new ATOM 1373 N PHE A 87 -2.220 -16.100 -1.819 1.00 0.00 N ATOM 1374 CA PHE A 87 -1.213 -15.025 -2.050 1.00 0.00 C ATOM 1375 C PHE A 87 -1.823 -13.950 -2.955 1.00 0.00 C ATOM 1376 O PHE A 87 -3.007 -13.681 -2.902 1.00 0.00 O ATOM 1377 CB PHE A 87 0.025 -15.625 -2.727 1.00 0.00 C ATOM 1378 CG PHE A 87 1.261 -14.851 -2.322 1.00 0.00 C ATOM 1379 CD1 PHE A 87 1.144 -13.552 -1.807 1.00 0.00 C ATOM 1380 CD2 PHE A 87 2.527 -15.437 -2.459 1.00 0.00 C ATOM 1381 CE1 PHE A 87 2.292 -12.842 -1.431 1.00 0.00 C ATOM 1382 CE2 PHE A 87 3.674 -14.727 -2.082 1.00 0.00 C ATOM 1383 CZ PHE A 87 3.556 -13.429 -1.568 1.00 0.00 C ATOM 0 H PHE A 87 -2.629 -16.118 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.924 -14.580 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.133 -16.672 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.093 -15.597 -3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.169 -13.099 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.618 -16.437 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.202 -11.841 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.649 -15.180 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.440 -12.881 -1.277 1.00 0.00 H new ATOM 1393 N PHE A 88 -1.025 -13.334 -3.784 1.00 0.00 N ATOM 1394 CA PHE A 88 -1.566 -12.280 -4.688 1.00 0.00 C ATOM 1395 C PHE A 88 -2.537 -12.911 -5.690 1.00 0.00 C ATOM 1396 O PHE A 88 -3.740 -12.817 -5.544 1.00 0.00 O ATOM 1397 CB PHE A 88 -0.412 -11.613 -5.439 1.00 0.00 C ATOM 1398 CG PHE A 88 0.598 -11.089 -4.446 1.00 0.00 C ATOM 1399 CD1 PHE A 88 0.166 -10.502 -3.249 1.00 0.00 C ATOM 1400 CD2 PHE A 88 1.967 -11.187 -4.723 1.00 0.00 C ATOM 1401 CE1 PHE A 88 1.104 -10.014 -2.330 1.00 0.00 C ATOM 1402 CE2 PHE A 88 2.904 -10.700 -3.804 1.00 0.00 C ATOM 1403 CZ PHE A 88 2.472 -10.114 -2.608 1.00 0.00 C ATOM 0 H PHE A 88 -0.025 -13.514 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.095 -11.532 -4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.061 -12.329 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.789 -10.797 -6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.890 -10.426 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.300 -11.638 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.772 -9.561 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.960 -10.776 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.195 -9.739 -1.899 1.00 0.00 H new ATOM 1413 N GLU A 89 -2.028 -13.554 -6.704 1.00 0.00 N ATOM 1414 CA GLU A 89 -2.926 -14.190 -7.710 1.00 0.00 C ATOM 1415 C GLU A 89 -2.867 -15.711 -7.555 1.00 0.00 C ATOM 1416 O GLU A 89 -3.796 -16.331 -7.079 1.00 0.00 O ATOM 1417 CB GLU A 89 -2.479 -13.795 -9.121 1.00 0.00 C ATOM 1418 CG GLU A 89 -3.690 -13.790 -10.058 1.00 0.00 C ATOM 1419 CD GLU A 89 -4.660 -12.684 -9.635 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -4.192 -11.600 -9.327 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -5.852 -12.940 -9.626 1.00 0.00 O ATOM 0 H GLU A 89 -1.030 -13.667 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.949 -13.850 -7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.015 -12.809 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.727 -14.495 -9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.366 -13.630 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.190 -14.758 -10.028 1.00 0.00 H new ATOM 1428 N HIS A 90 -1.783 -16.316 -7.950 1.00 0.00 N ATOM 1429 CA HIS A 90 -1.664 -17.797 -7.821 1.00 0.00 C ATOM 1430 C HIS A 90 -0.187 -18.180 -7.691 1.00 0.00 C ATOM 1431 O HIS A 90 0.173 -19.057 -6.929 1.00 0.00 O ATOM 1432 CB HIS A 90 -2.267 -18.471 -9.058 1.00 0.00 C ATOM 1433 CG HIS A 90 -1.347 -18.292 -10.234 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -1.386 -17.163 -11.036 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.358 -19.091 -10.756 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -0.447 -17.311 -11.990 1.00 0.00 C ATOM 1437 NE2 HIS A 90 0.210 -18.468 -11.865 1.00 0.00 N ATOM 0 H HIS A 90 -0.972 -15.850 -8.357 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.203 -18.129 -6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.424 -19.532 -8.865 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.243 -18.040 -9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.066 -20.055 -10.366 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.249 -16.583 -12.763 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.965 -18.819 -12.455 1.00 0.00 H new ATOM 1445 N GLU A 91 0.668 -17.528 -8.427 1.00 0.00 N ATOM 1446 CA GLU A 91 2.121 -17.848 -8.346 1.00 0.00 C ATOM 1447 C GLU A 91 2.936 -16.562 -8.503 1.00 0.00 C ATOM 1448 O GLU A 91 3.415 -16.317 -9.598 1.00 0.00 O ATOM 1449 CB GLU A 91 2.492 -18.826 -9.463 1.00 0.00 C ATOM 1450 CG GLU A 91 3.879 -19.412 -9.187 1.00 0.00 C ATOM 1451 CD GLU A 91 4.634 -19.580 -10.507 1.00 0.00 C ATOM 1452 OE1 GLU A 91 5.173 -18.596 -10.987 1.00 0.00 O ATOM 1453 OE2 GLU A 91 4.660 -20.689 -11.016 1.00 0.00 O ATOM 1454 OXT GLU A 91 3.066 -15.843 -7.525 1.00 0.00 O ATOM 0 H GLU A 91 0.424 -16.786 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 91 2.339 -18.301 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.753 -19.625 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.486 -18.315 -10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.436 -18.756 -8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.785 -20.375 -8.684 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -11.675 -4.465 -15.630 1.00 0.00 N ATOM 1463 CA MET B 0 -10.465 -3.897 -14.972 1.00 0.00 C ATOM 1464 C MET B 0 -10.891 -2.841 -13.946 1.00 0.00 C ATOM 1465 O MET B 0 -11.984 -2.313 -14.002 1.00 0.00 O ATOM 1466 CB MET B 0 -9.554 -3.266 -16.035 1.00 0.00 C ATOM 1467 CG MET B 0 -10.058 -1.865 -16.401 1.00 0.00 C ATOM 1468 SD MET B 0 -11.767 -1.972 -16.992 1.00 0.00 S ATOM 1469 CE MET B 0 -12.021 -0.202 -17.275 1.00 0.00 C ATOM 0 H1 MET B 0 -11.389 -5.206 -16.302 1.00 0.00 H new ATOM 0 H2 MET B 0 -12.302 -4.875 -14.909 1.00 0.00 H new ATOM 0 H3 MET B 0 -12.179 -3.711 -16.139 1.00 0.00 H new ATOM 0 HA MET B 0 -9.918 -4.689 -14.460 1.00 0.00 H new ATOM 0 HB2 MET B 0 -8.532 -3.206 -15.660 1.00 0.00 H new ATOM 0 HB3 MET B 0 -9.531 -3.896 -16.924 1.00 0.00 H new ATOM 0 HG2 MET B 0 -10.003 -1.209 -15.532 1.00 0.00 H new ATOM 0 HG3 MET B 0 -9.422 -1.428 -17.171 1.00 0.00 H new ATOM 0 HE1 MET B 0 -13.031 -0.035 -17.649 1.00 0.00 H new ATOM 0 HE2 MET B 0 -11.887 0.339 -16.338 1.00 0.00 H new ATOM 0 HE3 MET B 0 -11.298 0.157 -18.008 1.00 0.00 H new ATOM 1481 N SER B 1 -10.040 -2.530 -13.007 1.00 0.00 N ATOM 1482 CA SER B 1 -10.404 -1.510 -11.982 1.00 0.00 C ATOM 1483 C SER B 1 -9.223 -0.566 -11.751 1.00 0.00 C ATOM 1484 O SER B 1 -8.099 -0.862 -12.106 1.00 0.00 O ATOM 1485 CB SER B 1 -10.759 -2.212 -10.670 1.00 0.00 C ATOM 1486 OG SER B 1 -10.406 -1.371 -9.578 1.00 0.00 O ATOM 0 H SER B 1 -9.110 -2.937 -12.905 1.00 0.00 H new ATOM 0 HA SER B 1 -11.261 -0.935 -12.333 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.825 -2.437 -10.641 1.00 0.00 H new ATOM 0 HB3 SER B 1 -10.231 -3.163 -10.598 1.00 0.00 H new ATOM 0 HG SER B 1 -11.028 -0.615 -9.532 1.00 0.00 H new ATOM 1492 N GLU B 2 -9.470 0.571 -11.160 1.00 0.00 N ATOM 1493 CA GLU B 2 -8.365 1.537 -10.905 1.00 0.00 C ATOM 1494 C GLU B 2 -7.489 1.020 -9.763 1.00 0.00 C ATOM 1495 O GLU B 2 -6.297 0.843 -9.913 1.00 0.00 O ATOM 1496 CB GLU B 2 -8.959 2.893 -10.516 1.00 0.00 C ATOM 1497 CG GLU B 2 -8.306 3.997 -11.349 1.00 0.00 C ATOM 1498 CD GLU B 2 -9.277 4.453 -12.439 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -10.463 4.522 -12.157 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -8.820 4.726 -13.537 1.00 0.00 O ATOM 0 H GLU B 2 -10.391 0.873 -10.842 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.760 1.646 -11.805 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.037 2.890 -10.679 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -8.798 3.081 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.037 4.839 -10.711 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -7.383 3.631 -11.799 1.00 0.00 H new ATOM 1507 N LEU B 3 -8.073 0.777 -8.623 1.00 0.00 N ATOM 1508 CA LEU B 3 -7.280 0.270 -7.467 1.00 0.00 C ATOM 1509 C LEU B 3 -6.667 -1.083 -7.817 1.00 0.00 C ATOM 1510 O LEU B 3 -5.558 -1.394 -7.440 1.00 0.00 O ATOM 1511 CB LEU B 3 -8.203 0.099 -6.264 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.390 0.227 -4.974 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.978 1.686 -4.771 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.241 -0.234 -3.790 1.00 0.00 C ATOM 0 H LEU B 3 -9.068 0.908 -8.441 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.487 0.980 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.990 0.852 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.692 -0.874 -6.303 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.497 -0.394 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.399 1.776 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.372 2.014 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.869 2.309 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.664 -0.144 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.134 0.387 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.533 -1.274 -3.935 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.390 -1.899 -8.522 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.854 -3.242 -8.883 1.00 0.00 C ATOM 1528 C GLU B 4 -5.602 -3.096 -9.756 1.00 0.00 C ATOM 1529 O GLU B 4 -4.565 -3.654 -9.465 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.920 -4.030 -9.650 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.310 -5.326 -10.186 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.440 -5.363 -11.710 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -7.632 -4.309 -12.293 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -7.345 -6.444 -12.267 1.00 0.00 O ATOM 0 H GLU B 4 -8.329 -1.698 -8.866 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.590 -3.774 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.762 -4.255 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.308 -3.431 -10.473 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.261 -5.392 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.815 -6.186 -9.747 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.690 -2.365 -10.832 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.501 -2.211 -11.722 1.00 0.00 C ATOM 1543 C LYS B 5 -3.350 -1.532 -10.973 1.00 0.00 C ATOM 1544 O LYS B 5 -2.195 -1.847 -11.183 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.886 -1.364 -12.936 1.00 0.00 C ATOM 1546 CG LYS B 5 -5.753 -2.197 -13.882 1.00 0.00 C ATOM 1547 CD LYS B 5 -5.985 -1.421 -15.180 1.00 0.00 C ATOM 1548 CE LYS B 5 -5.844 -2.369 -16.373 1.00 0.00 C ATOM 1549 NZ LYS B 5 -4.638 -1.996 -17.165 1.00 0.00 N ATOM 0 H LYS B 5 -6.528 -1.869 -11.134 1.00 0.00 H new ATOM 0 HA LYS B 5 -4.173 -3.199 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.429 -0.475 -12.616 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.990 -1.021 -13.453 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -5.265 -3.148 -14.097 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -6.707 -2.428 -13.409 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -6.978 -0.971 -15.175 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.266 -0.606 -15.262 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -5.759 -3.398 -16.025 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.734 -2.317 -17.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.542 -2.640 -17.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.737 -1.019 -17.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.792 -2.068 -16.564 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.645 -0.594 -10.116 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.555 0.109 -9.376 1.00 0.00 C ATOM 1565 C ALA B 6 -2.076 -0.741 -8.195 1.00 0.00 C ATOM 1566 O ALA B 6 -0.978 -1.261 -8.194 1.00 0.00 O ATOM 1567 CB ALA B 6 -3.082 1.447 -8.855 1.00 0.00 C ATOM 0 H ALA B 6 -4.591 -0.283 -9.895 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.717 0.275 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -2.290 1.964 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -3.409 2.061 -9.694 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.924 1.271 -8.185 1.00 0.00 H new ATOM 1573 N MET B 7 -2.890 -0.872 -7.185 1.00 0.00 N ATOM 1574 CA MET B 7 -2.490 -1.669 -5.994 1.00 0.00 C ATOM 1575 C MET B 7 -1.873 -2.994 -6.439 1.00 0.00 C ATOM 1576 O MET B 7 -0.773 -3.345 -6.050 1.00 0.00 O ATOM 1577 CB MET B 7 -3.729 -1.949 -5.139 1.00 0.00 C ATOM 1578 CG MET B 7 -3.364 -2.915 -4.009 1.00 0.00 C ATOM 1579 SD MET B 7 -1.879 -2.321 -3.158 1.00 0.00 S ATOM 1580 CE MET B 7 -2.464 -2.573 -1.464 1.00 0.00 C ATOM 0 H MET B 7 -3.821 -0.458 -7.134 1.00 0.00 H new ATOM 0 HA MET B 7 -1.756 -1.109 -5.414 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.116 -1.018 -4.725 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.520 -2.376 -5.755 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.192 -2.996 -3.304 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.190 -3.913 -4.412 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.131 -1.746 -0.837 1.00 0.00 H new ATOM 0 HE2 MET B 7 -3.553 -2.617 -1.458 1.00 0.00 H new ATOM 0 HE3 MET B 7 -2.061 -3.508 -1.075 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.573 -3.733 -7.250 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.024 -5.037 -7.715 1.00 0.00 C ATOM 1592 C VAL B 8 -0.674 -4.800 -8.392 1.00 0.00 C ATOM 1593 O VAL B 8 0.244 -5.586 -8.259 1.00 0.00 O ATOM 1594 CB VAL B 8 -2.996 -5.687 -8.699 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.498 -7.087 -9.055 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.379 -5.795 -8.050 1.00 0.00 C ATOM 0 H VAL B 8 -3.497 -3.494 -7.610 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.890 -5.703 -6.863 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.060 -5.080 -9.602 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.190 -7.552 -9.757 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.511 -7.017 -9.512 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.437 -7.692 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.074 -6.258 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.311 -6.404 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.737 -4.799 -7.789 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.536 -3.713 -9.102 1.00 0.00 N ATOM 1607 CA ALA B 9 0.765 -3.425 -9.765 1.00 0.00 C ATOM 1608 C ALA B 9 1.873 -3.520 -8.716 1.00 0.00 C ATOM 1609 O ALA B 9 2.920 -4.093 -8.951 1.00 0.00 O ATOM 1610 CB ALA B 9 0.736 -2.016 -10.362 1.00 0.00 C ATOM 0 H ALA B 9 -1.265 -3.016 -9.250 1.00 0.00 H new ATOM 0 HA ALA B 9 0.947 -4.142 -10.565 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.689 -1.807 -10.847 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -0.067 -1.948 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.565 -1.288 -9.569 1.00 0.00 H new ATOM 1616 N LEU B 10 1.643 -2.977 -7.549 1.00 0.00 N ATOM 1617 CA LEU B 10 2.675 -3.055 -6.480 1.00 0.00 C ATOM 1618 C LEU B 10 3.098 -4.514 -6.317 1.00 0.00 C ATOM 1619 O LEU B 10 4.268 -4.842 -6.360 1.00 0.00 O ATOM 1620 CB LEU B 10 2.088 -2.539 -5.164 1.00 0.00 C ATOM 1621 CG LEU B 10 3.068 -1.557 -4.516 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.289 -0.400 -3.887 1.00 0.00 C ATOM 1623 CD2 LEU B 10 3.872 -2.279 -3.431 1.00 0.00 C ATOM 0 H LEU B 10 0.787 -2.485 -7.293 1.00 0.00 H new ATOM 0 HA LEU B 10 3.538 -2.445 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.133 -2.047 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.893 -3.373 -4.489 1.00 0.00 H new ATOM 0 HG LEU B 10 3.748 -1.169 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.986 0.300 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.716 0.115 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.609 -0.789 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.570 -1.580 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.192 -2.667 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.427 -3.104 -3.878 1.00 0.00 H new ATOM 1635 N ILE B 11 2.151 -5.398 -6.149 1.00 0.00 N ATOM 1636 CA ILE B 11 2.500 -6.839 -6.004 1.00 0.00 C ATOM 1637 C ILE B 11 3.453 -7.225 -7.142 1.00 0.00 C ATOM 1638 O ILE B 11 4.402 -7.960 -6.952 1.00 0.00 O ATOM 1639 CB ILE B 11 1.214 -7.682 -6.071 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.622 -7.814 -4.664 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.513 -9.081 -6.623 1.00 0.00 C ATOM 1642 CD1 ILE B 11 0.050 -6.466 -4.221 1.00 0.00 C ATOM 0 H ILE B 11 1.154 -5.185 -6.106 1.00 0.00 H new ATOM 0 HA ILE B 11 2.987 -7.021 -5.046 1.00 0.00 H new ATOM 0 HB ILE B 11 0.505 -7.186 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.161 -8.573 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE B 11 1.390 -8.142 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.591 -9.661 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.931 -8.995 -7.626 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.230 -9.583 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.371 -6.561 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.844 -5.719 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.731 -6.156 -4.915 1.00 0.00 H new ATOM 1654 N ASP B 12 3.204 -6.728 -8.323 1.00 0.00 N ATOM 1655 CA ASP B 12 4.089 -7.056 -9.474 1.00 0.00 C ATOM 1656 C ASP B 12 5.543 -6.804 -9.077 1.00 0.00 C ATOM 1657 O ASP B 12 6.401 -7.650 -9.238 1.00 0.00 O ATOM 1658 CB ASP B 12 3.721 -6.162 -10.660 1.00 0.00 C ATOM 1659 CG ASP B 12 4.299 -6.756 -11.947 1.00 0.00 C ATOM 1660 OD1 ASP B 12 5.508 -6.707 -12.108 1.00 0.00 O ATOM 1661 OD2 ASP B 12 3.523 -7.248 -12.750 1.00 0.00 O ATOM 0 H ASP B 12 2.424 -6.108 -8.540 1.00 0.00 H new ATOM 0 HA ASP B 12 3.963 -8.102 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.637 -6.076 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.110 -5.156 -10.505 1.00 0.00 H new ATOM 1666 N VAL B 13 5.823 -5.644 -8.554 1.00 0.00 N ATOM 1667 CA VAL B 13 7.222 -5.331 -8.139 1.00 0.00 C ATOM 1668 C VAL B 13 7.719 -6.406 -7.170 1.00 0.00 C ATOM 1669 O VAL B 13 8.881 -6.766 -7.168 1.00 0.00 O ATOM 1670 CB VAL B 13 7.255 -3.966 -7.447 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.606 -3.777 -6.753 1.00 0.00 C ATOM 1672 CG2 VAL B 13 7.063 -2.861 -8.487 1.00 0.00 C ATOM 0 H VAL B 13 5.146 -4.898 -8.395 1.00 0.00 H new ATOM 0 HA VAL B 13 7.866 -5.309 -9.018 1.00 0.00 H new ATOM 0 HB VAL B 13 6.455 -3.916 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.629 -2.805 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.747 -4.563 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.405 -3.828 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL B 13 7.087 -1.889 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.863 -2.913 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL B 13 6.102 -2.992 -8.984 1.00 0.00 H new ATOM 1682 N PHE B 14 6.851 -6.921 -6.343 1.00 0.00 N ATOM 1683 CA PHE B 14 7.272 -7.970 -5.372 1.00 0.00 C ATOM 1684 C PHE B 14 7.740 -9.215 -6.129 1.00 0.00 C ATOM 1685 O PHE B 14 8.680 -9.875 -5.736 1.00 0.00 O ATOM 1686 CB PHE B 14 6.090 -8.335 -4.472 1.00 0.00 C ATOM 1687 CG PHE B 14 6.598 -9.008 -3.218 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.301 -8.266 -2.260 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.366 -10.375 -3.015 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.771 -8.891 -1.099 1.00 0.00 C ATOM 1691 CE2 PHE B 14 6.836 -10.998 -1.853 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.539 -10.256 -0.895 1.00 0.00 C ATOM 0 H PHE B 14 5.866 -6.660 -6.298 1.00 0.00 H new ATOM 0 HA PHE B 14 8.091 -7.589 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.526 -7.439 -4.213 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.407 -8.999 -5.002 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.480 -7.213 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.825 -10.947 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.313 -8.319 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.657 -12.051 -1.695 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.902 -10.737 0.001 1.00 0.00 H new ATOM 1702 N HIS B 15 7.088 -9.546 -7.212 1.00 0.00 N ATOM 1703 CA HIS B 15 7.498 -10.753 -7.988 1.00 0.00 C ATOM 1704 C HIS B 15 8.769 -10.444 -8.781 1.00 0.00 C ATOM 1705 O HIS B 15 9.414 -11.329 -9.308 1.00 0.00 O ATOM 1706 CB HIS B 15 6.379 -11.147 -8.955 1.00 0.00 C ATOM 1707 CG HIS B 15 6.642 -12.531 -9.482 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.898 -12.775 -10.822 1.00 0.00 N ATOM 1709 CD2 HIS B 15 6.698 -13.754 -8.861 1.00 0.00 C ATOM 1710 CE1 HIS B 15 7.095 -14.100 -10.962 1.00 0.00 C ATOM 1711 NE2 HIS B 15 6.985 -14.744 -9.797 1.00 0.00 N ATOM 0 H HIS B 15 6.292 -9.035 -7.592 1.00 0.00 H new ATOM 0 HA HIS B 15 7.689 -11.576 -7.299 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.415 -11.116 -8.446 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.327 -10.435 -9.779 1.00 0.00 H new ATOM 0 HD2 HIS B 15 6.543 -13.923 -7.806 1.00 0.00 H new ATOM 0 HE1 HIS B 15 7.315 -14.583 -11.902 1.00 0.00 H new ATOM 0 HE2 HIS B 15 7.089 -15.745 -9.629 1.00 0.00 H new ATOM 1719 N GLN B 16 9.135 -9.195 -8.869 1.00 0.00 N ATOM 1720 CA GLN B 16 10.367 -8.835 -9.628 1.00 0.00 C ATOM 1721 C GLN B 16 11.580 -8.930 -8.703 1.00 0.00 C ATOM 1722 O GLN B 16 12.551 -9.594 -9.004 1.00 0.00 O ATOM 1723 CB GLN B 16 10.240 -7.404 -10.159 1.00 0.00 C ATOM 1724 CG GLN B 16 11.205 -7.207 -11.331 1.00 0.00 C ATOM 1725 CD GLN B 16 10.953 -8.286 -12.387 1.00 0.00 C ATOM 1726 OE1 GLN B 16 11.877 -8.767 -13.013 1.00 0.00 O ATOM 1727 NE2 GLN B 16 9.731 -8.688 -12.612 1.00 0.00 N ATOM 0 H GLN B 16 8.637 -8.410 -8.450 1.00 0.00 H new ATOM 0 HA GLN B 16 10.493 -9.522 -10.464 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.216 -7.214 -10.481 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.463 -6.690 -9.367 1.00 0.00 H new ATOM 0 HG2 GLN B 16 11.067 -6.217 -11.767 1.00 0.00 H new ATOM 0 HG3 GLN B 16 12.236 -7.260 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.956 -8.284 -12.086 1.00 0.00 H new ATOM 0 HE22 GLN B 16 9.551 -9.406 -13.314 1.00 0.00 H new ATOM 1736 N TYR B 17 11.536 -8.268 -7.581 1.00 0.00 N ATOM 1737 CA TYR B 17 12.690 -8.317 -6.641 1.00 0.00 C ATOM 1738 C TYR B 17 12.695 -9.652 -5.892 1.00 0.00 C ATOM 1739 O TYR B 17 13.723 -10.116 -5.438 1.00 0.00 O ATOM 1740 CB TYR B 17 12.572 -7.168 -5.638 1.00 0.00 C ATOM 1741 CG TYR B 17 12.840 -5.861 -6.344 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.809 -5.215 -7.037 1.00 0.00 C ATOM 1743 CD2 TYR B 17 14.120 -5.296 -6.305 1.00 0.00 C ATOM 1744 CE1 TYR B 17 12.058 -4.003 -7.693 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.369 -4.085 -6.961 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.338 -3.438 -7.654 1.00 0.00 C ATOM 1747 OH TYR B 17 13.584 -2.243 -8.299 1.00 0.00 O ATOM 0 H TYR B 17 10.750 -7.695 -7.274 1.00 0.00 H new ATOM 0 HA TYR B 17 13.619 -8.221 -7.203 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.576 -7.158 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.282 -7.307 -4.823 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.822 -5.651 -7.066 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.915 -5.794 -5.769 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.263 -3.505 -8.228 1.00 0.00 H new ATOM 0 HE2 TYR B 17 15.357 -3.649 -6.933 1.00 0.00 H new ATOM 0 HH TYR B 17 12.867 -2.066 -8.944 1.00 0.00 H new ATOM 1757 N SER B 18 11.557 -10.276 -5.758 1.00 0.00 N ATOM 1758 CA SER B 18 11.505 -11.580 -5.037 1.00 0.00 C ATOM 1759 C SER B 18 11.427 -12.721 -6.053 1.00 0.00 C ATOM 1760 O SER B 18 11.545 -13.881 -5.710 1.00 0.00 O ATOM 1761 CB SER B 18 10.271 -11.615 -4.133 1.00 0.00 C ATOM 1762 OG SER B 18 10.575 -12.345 -2.951 1.00 0.00 O ATOM 0 H SER B 18 10.663 -9.941 -6.116 1.00 0.00 H new ATOM 0 HA SER B 18 12.403 -11.696 -4.429 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.963 -10.601 -3.879 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.436 -12.080 -4.657 1.00 0.00 H new ATOM 0 HG SER B 18 10.561 -11.740 -2.180 1.00 0.00 H new ATOM 1768 N GLY B 19 11.225 -12.405 -7.304 1.00 0.00 N ATOM 1769 CA GLY B 19 11.135 -13.472 -8.339 1.00 0.00 C ATOM 1770 C GLY B 19 12.533 -13.808 -8.868 1.00 0.00 C ATOM 1771 O GLY B 19 12.787 -14.906 -9.322 1.00 0.00 O ATOM 0 H GLY B 19 11.118 -11.453 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY B 19 10.674 -14.364 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY B 19 10.497 -13.142 -9.159 1.00 0.00 H new ATOM 1775 N ARG B 20 13.445 -12.872 -8.815 1.00 0.00 N ATOM 1776 CA ARG B 20 14.822 -13.148 -9.318 1.00 0.00 C ATOM 1777 C ARG B 20 15.441 -14.291 -8.501 1.00 0.00 C ATOM 1778 O ARG B 20 14.761 -15.220 -8.113 1.00 0.00 O ATOM 1779 CB ARG B 20 15.677 -11.883 -9.184 1.00 0.00 C ATOM 1780 CG ARG B 20 15.084 -10.773 -10.052 1.00 0.00 C ATOM 1781 CD ARG B 20 15.668 -9.425 -9.626 1.00 0.00 C ATOM 1782 NE ARG B 20 16.409 -8.823 -10.771 1.00 0.00 N ATOM 1783 CZ ARG B 20 15.890 -8.849 -11.967 1.00 0.00 C ATOM 1784 NH1 ARG B 20 14.712 -8.328 -12.181 1.00 0.00 N ATOM 1785 NH2 ARG B 20 16.549 -9.397 -12.952 1.00 0.00 N ATOM 0 H ARG B 20 13.296 -11.933 -8.447 1.00 0.00 H new ATOM 0 HA ARG B 20 14.780 -13.440 -10.367 1.00 0.00 H new ATOM 0 HB2 ARG B 20 15.713 -11.564 -8.142 1.00 0.00 H new ATOM 0 HB3 ARG B 20 16.702 -12.090 -9.490 1.00 0.00 H new ATOM 0 HG2 ARG B 20 15.305 -10.961 -11.103 1.00 0.00 H new ATOM 0 HG3 ARG B 20 13.999 -10.759 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG B 20 14.870 -8.756 -9.303 1.00 0.00 H new ATOM 0 HD3 ARG B 20 16.337 -9.558 -8.775 1.00 0.00 H new ATOM 0 HE ARG B 20 17.321 -8.391 -10.619 1.00 0.00 H new ATOM 0 HH11 ARG B 20 14.196 -7.900 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG B 20 14.307 -8.349 -13.117 1.00 0.00 H new ATOM 0 HH21 ARG B 20 17.469 -9.804 -12.786 1.00 0.00 H new ATOM 0 HH22 ARG B 20 16.144 -9.418 -13.888 1.00 0.00 H new ATOM 1799 N GLU B 21 16.722 -14.239 -8.240 1.00 0.00 N ATOM 1800 CA GLU B 21 17.366 -15.327 -7.452 1.00 0.00 C ATOM 1801 C GLU B 21 16.699 -15.416 -6.072 1.00 0.00 C ATOM 1802 O GLU B 21 15.524 -15.715 -5.974 1.00 0.00 O ATOM 1803 CB GLU B 21 18.862 -15.027 -7.306 1.00 0.00 C ATOM 1804 CG GLU B 21 19.052 -13.563 -6.902 1.00 0.00 C ATOM 1805 CD GLU B 21 19.708 -12.795 -8.051 1.00 0.00 C ATOM 1806 OE1 GLU B 21 19.370 -13.069 -9.192 1.00 0.00 O ATOM 1807 OE2 GLU B 21 20.536 -11.944 -7.772 1.00 0.00 O ATOM 0 H GLU B 21 17.347 -13.491 -8.539 1.00 0.00 H new ATOM 0 HA GLU B 21 17.246 -16.282 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.304 -15.683 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU B 21 19.377 -15.226 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU B 21 18.089 -13.115 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.672 -13.499 -6.008 1.00 0.00 H new ATOM 1814 N GLY B 22 17.423 -15.160 -5.006 1.00 0.00 N ATOM 1815 CA GLY B 22 16.805 -15.238 -3.650 1.00 0.00 C ATOM 1816 C GLY B 22 15.882 -16.456 -3.585 1.00 0.00 C ATOM 1817 O GLY B 22 16.323 -17.577 -3.422 1.00 0.00 O ATOM 0 H GLY B 22 18.410 -14.902 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY B 22 17.581 -15.314 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY B 22 16.241 -14.329 -3.442 1.00 0.00 H new ATOM 1821 N ASP B 23 14.602 -16.242 -3.724 1.00 0.00 N ATOM 1822 CA ASP B 23 13.647 -17.381 -3.684 1.00 0.00 C ATOM 1823 C ASP B 23 12.235 -16.865 -3.978 1.00 0.00 C ATOM 1824 O ASP B 23 11.738 -17.004 -5.078 1.00 0.00 O ATOM 1825 CB ASP B 23 13.688 -18.031 -2.299 1.00 0.00 C ATOM 1826 CG ASP B 23 13.787 -19.551 -2.453 1.00 0.00 C ATOM 1827 OD1 ASP B 23 14.884 -20.032 -2.690 1.00 0.00 O ATOM 1828 OD2 ASP B 23 12.766 -20.207 -2.333 1.00 0.00 O ATOM 0 H ASP B 23 14.178 -15.325 -3.864 1.00 0.00 H new ATOM 0 HA ASP B 23 13.923 -18.122 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP B 23 14.541 -17.655 -1.734 1.00 0.00 H new ATOM 0 HB3 ASP B 23 12.792 -17.769 -1.736 1.00 0.00 H new ATOM 1833 N LYS B 24 11.597 -16.261 -3.006 1.00 0.00 N ATOM 1834 CA LYS B 24 10.217 -15.718 -3.207 1.00 0.00 C ATOM 1835 C LYS B 24 9.500 -15.667 -1.857 1.00 0.00 C ATOM 1836 O LYS B 24 9.895 -16.320 -0.912 1.00 0.00 O ATOM 1837 CB LYS B 24 9.417 -16.614 -4.163 1.00 0.00 C ATOM 1838 CG LYS B 24 9.650 -18.086 -3.813 1.00 0.00 C ATOM 1839 CD LYS B 24 8.336 -18.861 -3.962 1.00 0.00 C ATOM 1840 CE LYS B 24 7.681 -18.508 -5.300 1.00 0.00 C ATOM 1841 NZ LYS B 24 7.097 -19.739 -5.907 1.00 0.00 N ATOM 0 H LYS B 24 11.978 -16.119 -2.071 1.00 0.00 H new ATOM 0 HA LYS B 24 10.291 -14.720 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.355 -16.378 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS B 24 9.719 -16.424 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.411 -18.510 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS B 24 10.023 -18.174 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS B 24 8.526 -19.933 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS B 24 7.663 -18.617 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS B 24 6.903 -17.759 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.418 -18.072 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 6.652 -19.500 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 7.850 -20.440 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 6.382 -20.137 -5.265 1.00 0.00 H new ATOM 1855 N HIS B 25 8.447 -14.901 -1.756 1.00 0.00 N ATOM 1856 CA HIS B 25 7.710 -14.822 -0.463 1.00 0.00 C ATOM 1857 C HIS B 25 8.607 -14.186 0.602 1.00 0.00 C ATOM 1858 O HIS B 25 8.285 -14.181 1.774 1.00 0.00 O ATOM 1859 CB HIS B 25 7.319 -16.235 -0.019 1.00 0.00 C ATOM 1860 CG HIS B 25 6.228 -16.155 1.014 1.00 0.00 C ATOM 1861 ND1 HIS B 25 4.907 -16.453 0.718 1.00 0.00 N ATOM 1862 CD2 HIS B 25 6.247 -15.814 2.344 1.00 0.00 C ATOM 1863 CE1 HIS B 25 4.191 -16.285 1.846 1.00 0.00 C ATOM 1864 NE2 HIS B 25 4.960 -15.898 2.867 1.00 0.00 N ATOM 0 H HIS B 25 8.067 -14.329 -2.510 1.00 0.00 H new ATOM 0 HA HIS B 25 6.814 -14.214 -0.591 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.980 -16.816 -0.877 1.00 0.00 H new ATOM 0 HB3 HIS B 25 8.186 -16.751 0.393 1.00 0.00 H new ATOM 0 HD1 HIS B 25 4.544 -16.746 -0.189 1.00 0.00 H new ATOM 0 HD2 HIS B 25 7.127 -15.525 2.900 1.00 0.00 H new ATOM 0 HE1 HIS B 25 3.125 -16.444 1.916 1.00 0.00 H new ATOM 1872 N LYS B 26 9.732 -13.648 0.210 1.00 0.00 N ATOM 1873 CA LYS B 26 10.639 -13.019 1.214 1.00 0.00 C ATOM 1874 C LYS B 26 11.338 -11.806 0.598 1.00 0.00 C ATOM 1875 O LYS B 26 11.416 -11.663 -0.605 1.00 0.00 O ATOM 1876 CB LYS B 26 11.688 -14.040 1.663 1.00 0.00 C ATOM 1877 CG LYS B 26 12.484 -14.528 0.450 1.00 0.00 C ATOM 1878 CD LYS B 26 13.660 -15.387 0.924 1.00 0.00 C ATOM 1879 CE LYS B 26 14.932 -14.537 0.959 1.00 0.00 C ATOM 1880 NZ LYS B 26 15.283 -14.223 2.373 1.00 0.00 N ATOM 0 H LYS B 26 10.060 -13.617 -0.755 1.00 0.00 H new ATOM 0 HA LYS B 26 10.052 -12.695 2.073 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.360 -13.589 2.393 1.00 0.00 H new ATOM 0 HB3 LYS B 26 11.202 -14.883 2.155 1.00 0.00 H new ATOM 0 HG2 LYS B 26 11.840 -15.107 -0.212 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.850 -13.677 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS B 26 13.453 -15.791 1.915 1.00 0.00 H new ATOM 0 HD3 LYS B 26 13.796 -16.237 0.255 1.00 0.00 H new ATOM 0 HE2 LYS B 26 15.752 -15.072 0.480 1.00 0.00 H new ATOM 0 HE3 LYS B 26 14.781 -13.615 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 16.148 -13.645 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 14.503 -13.697 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 15.444 -15.108 2.895 1.00 0.00 H new ATOM 1894 N LEU B 27 11.849 -10.932 1.423 1.00 0.00 N ATOM 1895 CA LEU B 27 12.548 -9.725 0.900 1.00 0.00 C ATOM 1896 C LEU B 27 13.773 -9.438 1.774 1.00 0.00 C ATOM 1897 O LEU B 27 14.245 -10.296 2.493 1.00 0.00 O ATOM 1898 CB LEU B 27 11.595 -8.526 0.943 1.00 0.00 C ATOM 1899 CG LEU B 27 11.275 -8.070 -0.482 1.00 0.00 C ATOM 1900 CD1 LEU B 27 12.544 -7.523 -1.140 1.00 0.00 C ATOM 1901 CD2 LEU B 27 10.755 -9.258 -1.295 1.00 0.00 C ATOM 0 H LEU B 27 11.812 -11.003 2.440 1.00 0.00 H new ATOM 0 HA LEU B 27 12.864 -9.898 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.676 -8.798 1.463 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.049 -7.709 1.503 1.00 0.00 H new ATOM 0 HG LEU B 27 10.515 -7.290 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU B 27 12.316 -7.198 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU B 27 12.917 -6.677 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU B 27 13.304 -8.304 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU B 27 10.527 -8.932 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.515 -10.038 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.851 -9.651 -0.829 1.00 0.00 H new ATOM 1913 N LYS B 28 14.290 -8.241 1.722 1.00 0.00 N ATOM 1914 CA LYS B 28 15.481 -7.911 2.555 1.00 0.00 C ATOM 1915 C LYS B 28 15.447 -6.429 2.934 1.00 0.00 C ATOM 1916 O LYS B 28 14.736 -5.641 2.342 1.00 0.00 O ATOM 1917 CB LYS B 28 16.756 -8.205 1.762 1.00 0.00 C ATOM 1918 CG LYS B 28 17.603 -9.227 2.524 1.00 0.00 C ATOM 1919 CD LYS B 28 18.632 -9.851 1.576 1.00 0.00 C ATOM 1920 CE LYS B 28 19.824 -8.906 1.420 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.942 -9.367 2.290 1.00 0.00 N ATOM 0 H LYS B 28 13.941 -7.479 1.141 1.00 0.00 H new ATOM 0 HA LYS B 28 15.468 -8.517 3.461 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.503 -8.590 0.774 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.323 -7.287 1.610 1.00 0.00 H new ATOM 0 HG2 LYS B 28 18.109 -8.744 3.360 1.00 0.00 H new ATOM 0 HG3 LYS B 28 16.963 -10.003 2.945 1.00 0.00 H new ATOM 0 HD2 LYS B 28 18.966 -10.812 1.967 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.177 -10.043 0.604 1.00 0.00 H new ATOM 0 HE2 LYS B 28 20.147 -8.879 0.379 1.00 0.00 H new ATOM 0 HE3 LYS B 28 19.534 -7.891 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.661 -8.619 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.577 -9.582 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 21.369 -10.223 1.882 1.00 0.00 H new ATOM 1935 N LYS B 29 16.212 -6.043 3.919 1.00 0.00 N ATOM 1936 CA LYS B 29 16.227 -4.614 4.337 1.00 0.00 C ATOM 1937 C LYS B 29 16.986 -3.788 3.299 1.00 0.00 C ATOM 1938 O LYS B 29 16.746 -2.610 3.132 1.00 0.00 O ATOM 1939 CB LYS B 29 16.921 -4.488 5.695 1.00 0.00 C ATOM 1940 CG LYS B 29 16.272 -5.454 6.686 1.00 0.00 C ATOM 1941 CD LYS B 29 14.803 -5.070 6.877 1.00 0.00 C ATOM 1942 CE LYS B 29 14.217 -5.858 8.049 1.00 0.00 C ATOM 1943 NZ LYS B 29 14.341 -5.054 9.298 1.00 0.00 N ATOM 0 H LYS B 29 16.828 -6.657 4.452 1.00 0.00 H new ATOM 0 HA LYS B 29 15.204 -4.247 4.416 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.983 -4.711 5.595 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.843 -3.465 6.063 1.00 0.00 H new ATOM 0 HG2 LYS B 29 16.348 -6.477 6.317 1.00 0.00 H new ATOM 0 HG3 LYS B 29 16.796 -5.420 7.641 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.718 -4.000 7.066 1.00 0.00 H new ATOM 0 HD3 LYS B 29 14.240 -5.279 5.967 1.00 0.00 H new ATOM 0 HE2 LYS B 29 13.170 -6.092 7.857 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.741 -6.807 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 15.074 -5.470 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 14.605 -4.077 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 13.431 -5.053 9.802 1.00 0.00 H new ATOM 1957 N SER B 30 17.904 -4.398 2.602 1.00 0.00 N ATOM 1958 CA SER B 30 18.679 -3.648 1.575 1.00 0.00 C ATOM 1959 C SER B 30 17.853 -3.537 0.293 1.00 0.00 C ATOM 1960 O SER B 30 17.788 -2.493 -0.324 1.00 0.00 O ATOM 1961 CB SER B 30 19.989 -4.384 1.279 1.00 0.00 C ATOM 1962 OG SER B 30 21.028 -3.833 2.079 1.00 0.00 O ATOM 0 H SER B 30 18.151 -5.383 2.699 1.00 0.00 H new ATOM 0 HA SER B 30 18.904 -2.649 1.950 1.00 0.00 H new ATOM 0 HB2 SER B 30 19.878 -5.448 1.489 1.00 0.00 H new ATOM 0 HB3 SER B 30 20.240 -4.293 0.222 1.00 0.00 H new ATOM 0 HG SER B 30 21.868 -4.303 1.894 1.00 0.00 H new ATOM 1968 N GLU B 31 17.213 -4.601 -0.109 1.00 0.00 N ATOM 1969 CA GLU B 31 16.388 -4.544 -1.343 1.00 0.00 C ATOM 1970 C GLU B 31 15.115 -3.759 -1.040 1.00 0.00 C ATOM 1971 O GLU B 31 14.511 -3.180 -1.918 1.00 0.00 O ATOM 1972 CB GLU B 31 16.025 -5.963 -1.790 1.00 0.00 C ATOM 1973 CG GLU B 31 15.685 -5.953 -3.282 1.00 0.00 C ATOM 1974 CD GLU B 31 16.378 -7.131 -3.973 1.00 0.00 C ATOM 1975 OE1 GLU B 31 16.256 -8.239 -3.476 1.00 0.00 O ATOM 1976 OE2 GLU B 31 17.017 -6.904 -4.987 1.00 0.00 O ATOM 0 H GLU B 31 17.227 -5.504 0.364 1.00 0.00 H new ATOM 0 HA GLU B 31 16.947 -4.056 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.857 -6.640 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.176 -6.332 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.606 -6.021 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.006 -5.014 -3.732 1.00 0.00 H new ATOM 1983 N LEU B 32 14.712 -3.727 0.204 1.00 0.00 N ATOM 1984 CA LEU B 32 13.484 -2.970 0.574 1.00 0.00 C ATOM 1985 C LEU B 32 13.821 -1.479 0.626 1.00 0.00 C ATOM 1986 O LEU B 32 13.123 -0.654 0.069 1.00 0.00 O ATOM 1987 CB LEU B 32 12.990 -3.432 1.947 1.00 0.00 C ATOM 1988 CG LEU B 32 11.863 -2.512 2.423 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.743 -2.492 1.379 1.00 0.00 C ATOM 1990 CD2 LEU B 32 11.309 -3.030 3.752 1.00 0.00 C ATOM 0 H LEU B 32 15.183 -4.194 0.979 1.00 0.00 H new ATOM 0 HA LEU B 32 12.703 -3.148 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.634 -4.461 1.889 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.811 -3.419 2.664 1.00 0.00 H new ATOM 0 HG LEU B 32 12.252 -1.503 2.558 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.941 -1.837 1.718 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.136 -2.124 0.431 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.354 -3.501 1.243 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.506 -2.375 4.092 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.921 -4.039 3.616 1.00 0.00 H new ATOM 0 HD23 LEU B 32 12.105 -3.045 4.497 1.00 0.00 H new ATOM 2002 N LYS B 33 14.897 -1.127 1.278 1.00 0.00 N ATOM 2003 CA LYS B 33 15.287 0.308 1.350 1.00 0.00 C ATOM 2004 C LYS B 33 15.464 0.830 -0.072 1.00 0.00 C ATOM 2005 O LYS B 33 15.029 1.913 -0.414 1.00 0.00 O ATOM 2006 CB LYS B 33 16.610 0.436 2.106 1.00 0.00 C ATOM 2007 CG LYS B 33 16.731 1.842 2.700 1.00 0.00 C ATOM 2008 CD LYS B 33 17.865 2.595 2.000 1.00 0.00 C ATOM 2009 CE LYS B 33 19.129 2.527 2.858 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.057 3.562 3.929 1.00 0.00 N ATOM 0 H LYS B 33 15.521 -1.772 1.763 1.00 0.00 H new ATOM 0 HA LYS B 33 14.519 0.882 1.869 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.660 -0.310 2.899 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.445 0.242 1.433 1.00 0.00 H new ATOM 0 HG2 LYS B 33 15.792 2.382 2.578 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.927 1.781 3.770 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.055 2.158 1.019 1.00 0.00 H new ATOM 0 HD3 LYS B 33 17.579 3.634 1.837 1.00 0.00 H new ATOM 0 HE2 LYS B 33 19.228 1.536 3.301 1.00 0.00 H new ATOM 0 HE3 LYS B 33 20.011 2.689 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.916 3.517 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 18.982 4.505 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 18.223 3.387 4.525 1.00 0.00 H new ATOM 2024 N GLU B 34 16.097 0.053 -0.903 1.00 0.00 N ATOM 2025 CA GLU B 34 16.311 0.474 -2.312 1.00 0.00 C ATOM 2026 C GLU B 34 14.969 0.418 -3.051 1.00 0.00 C ATOM 2027 O GLU B 34 14.702 1.193 -3.946 1.00 0.00 O ATOM 2028 CB GLU B 34 17.357 -0.461 -2.953 1.00 0.00 C ATOM 2029 CG GLU B 34 16.703 -1.609 -3.736 1.00 0.00 C ATOM 2030 CD GLU B 34 16.718 -1.280 -5.228 1.00 0.00 C ATOM 2031 OE1 GLU B 34 16.905 -0.121 -5.557 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.548 -2.194 -6.018 1.00 0.00 O ATOM 0 H GLU B 34 16.478 -0.863 -0.664 1.00 0.00 H new ATOM 0 HA GLU B 34 16.687 1.495 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.996 0.115 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.999 -0.873 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.239 -2.540 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.678 -1.758 -3.396 1.00 0.00 H new ATOM 2039 N LEU B 35 14.122 -0.492 -2.662 1.00 0.00 N ATOM 2040 CA LEU B 35 12.787 -0.610 -3.315 1.00 0.00 C ATOM 2041 C LEU B 35 12.038 0.716 -3.179 1.00 0.00 C ATOM 2042 O LEU B 35 11.324 1.134 -4.067 1.00 0.00 O ATOM 2043 CB LEU B 35 11.978 -1.715 -2.624 1.00 0.00 C ATOM 2044 CG LEU B 35 11.264 -2.563 -3.677 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.408 -1.658 -4.565 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.302 -3.287 -4.537 1.00 0.00 C ATOM 0 H LEU B 35 14.297 -1.164 -1.915 1.00 0.00 H new ATOM 0 HA LEU B 35 12.918 -0.854 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.638 -2.342 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.250 -1.275 -1.942 1.00 0.00 H new ATOM 0 HG LEU B 35 10.626 -3.296 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.899 -2.262 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.669 -1.141 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.046 -0.925 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.794 -3.892 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.940 -2.554 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.913 -3.931 -3.905 1.00 0.00 H new ATOM 2058 N ILE B 36 12.188 1.374 -2.063 1.00 0.00 N ATOM 2059 CA ILE B 36 11.477 2.667 -1.851 1.00 0.00 C ATOM 2060 C ILE B 36 12.222 3.807 -2.547 1.00 0.00 C ATOM 2061 O ILE B 36 11.666 4.520 -3.359 1.00 0.00 O ATOM 2062 CB ILE B 36 11.403 2.968 -0.352 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.320 1.650 0.433 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.167 3.827 -0.074 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.740 1.905 1.829 1.00 0.00 C ATOM 0 H ILE B 36 12.775 1.071 -1.285 1.00 0.00 H new ATOM 0 HA ILE B 36 10.474 2.585 -2.269 1.00 0.00 H new ATOM 0 HB ILE B 36 12.295 3.509 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.695 0.936 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.311 1.205 0.518 1.00 0.00 H new ATOM 0 HG21 ILE B 36 10.108 4.045 0.992 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.240 4.760 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.272 3.288 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.685 0.965 2.378 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.381 2.602 2.368 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.740 2.329 1.736 1.00 0.00 H new ATOM 2077 N ASN B 37 13.468 3.999 -2.217 1.00 0.00 N ATOM 2078 CA ASN B 37 14.242 5.110 -2.837 1.00 0.00 C ATOM 2079 C ASN B 37 14.437 4.860 -4.334 1.00 0.00 C ATOM 2080 O ASN B 37 13.985 5.621 -5.163 1.00 0.00 O ATOM 2081 CB ASN B 37 15.610 5.212 -2.160 1.00 0.00 C ATOM 2082 CG ASN B 37 16.386 6.387 -2.757 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.409 6.567 -3.960 1.00 0.00 O ATOM 2084 ND2 ASN B 37 17.026 7.203 -1.964 1.00 0.00 N ATOM 0 H ASN B 37 13.985 3.434 -1.544 1.00 0.00 H new ATOM 0 HA ASN B 37 13.688 6.040 -2.705 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.487 5.351 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.167 4.286 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.545 7.990 -2.353 1.00 0.00 H new ATOM 0 HD22 ASN B 37 17.007 7.053 -0.955 1.00 0.00 H new ATOM 2091 N ASN B 38 15.124 3.813 -4.690 1.00 0.00 N ATOM 2092 CA ASN B 38 15.368 3.541 -6.138 1.00 0.00 C ATOM 2093 C ASN B 38 14.062 3.622 -6.936 1.00 0.00 C ATOM 2094 O ASN B 38 13.963 4.349 -7.905 1.00 0.00 O ATOM 2095 CB ASN B 38 15.974 2.147 -6.308 1.00 0.00 C ATOM 2096 CG ASN B 38 16.248 1.880 -7.791 1.00 0.00 C ATOM 2097 OD1 ASN B 38 16.452 0.749 -8.187 1.00 0.00 O ATOM 2098 ND2 ASN B 38 16.261 2.877 -8.637 1.00 0.00 N ATOM 0 H ASN B 38 15.528 3.133 -4.045 1.00 0.00 H new ATOM 0 HA ASN B 38 16.059 4.295 -6.515 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.900 2.071 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN B 38 15.293 1.393 -5.913 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.442 2.704 -9.626 1.00 0.00 H new ATOM 0 HD22 ASN B 38 16.090 3.827 -8.308 1.00 0.00 H new ATOM 2105 N GLU B 39 13.069 2.865 -6.560 1.00 0.00 N ATOM 2106 CA GLU B 39 11.786 2.883 -7.326 1.00 0.00 C ATOM 2107 C GLU B 39 11.034 4.204 -7.116 1.00 0.00 C ATOM 2108 O GLU B 39 10.992 5.046 -7.991 1.00 0.00 O ATOM 2109 CB GLU B 39 10.905 1.721 -6.869 1.00 0.00 C ATOM 2110 CG GLU B 39 11.708 0.420 -6.923 1.00 0.00 C ATOM 2111 CD GLU B 39 12.310 0.252 -8.319 1.00 0.00 C ATOM 2112 OE1 GLU B 39 13.416 0.725 -8.527 1.00 0.00 O ATOM 2113 OE2 GLU B 39 11.654 -0.344 -9.157 1.00 0.00 O ATOM 0 H GLU B 39 13.088 2.235 -5.758 1.00 0.00 H new ATOM 0 HA GLU B 39 12.019 2.784 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.548 1.899 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU B 39 10.025 1.645 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU B 39 12.499 0.437 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU B 39 11.064 -0.428 -6.688 1.00 0.00 H new ATOM 2120 N LEU B 40 10.418 4.385 -5.978 1.00 0.00 N ATOM 2121 CA LEU B 40 9.652 5.636 -5.740 1.00 0.00 C ATOM 2122 C LEU B 40 10.586 6.851 -5.808 1.00 0.00 C ATOM 2123 O LEU B 40 10.896 7.339 -6.876 1.00 0.00 O ATOM 2124 CB LEU B 40 8.981 5.561 -4.364 1.00 0.00 C ATOM 2125 CG LEU B 40 7.973 4.402 -4.330 1.00 0.00 C ATOM 2126 CD1 LEU B 40 6.964 4.635 -3.204 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.220 4.318 -5.662 1.00 0.00 C ATOM 0 H LEU B 40 10.414 3.719 -5.205 1.00 0.00 H new ATOM 0 HA LEU B 40 8.889 5.746 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.736 5.420 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.474 6.501 -4.147 1.00 0.00 H new ATOM 0 HG LEU B 40 8.514 3.471 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.249 3.813 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.489 4.687 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.434 5.571 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.508 3.493 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU B 40 6.685 5.251 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.930 4.150 -6.471 1.00 0.00 H new ATOM 2139 N SER B 41 11.030 7.346 -4.682 1.00 0.00 N ATOM 2140 CA SER B 41 11.937 8.535 -4.686 1.00 0.00 C ATOM 2141 C SER B 41 11.459 9.545 -5.731 1.00 0.00 C ATOM 2142 O SER B 41 12.248 10.132 -6.445 1.00 0.00 O ATOM 2143 CB SER B 41 13.359 8.099 -5.030 1.00 0.00 C ATOM 2144 OG SER B 41 14.150 9.250 -5.296 1.00 0.00 O ATOM 0 H SER B 41 10.804 6.978 -3.758 1.00 0.00 H new ATOM 0 HA SER B 41 11.923 8.994 -3.697 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.788 7.531 -4.204 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.350 7.441 -5.899 1.00 0.00 H new ATOM 0 HG SER B 41 13.742 9.767 -6.022 1.00 0.00 H new ATOM 2150 N HIS B 42 10.175 9.751 -5.834 1.00 0.00 N ATOM 2151 CA HIS B 42 9.659 10.719 -6.843 1.00 0.00 C ATOM 2152 C HIS B 42 9.034 11.920 -6.128 1.00 0.00 C ATOM 2153 O HIS B 42 8.901 12.989 -6.691 1.00 0.00 O ATOM 2154 CB HIS B 42 8.602 10.032 -7.711 1.00 0.00 C ATOM 2155 CG HIS B 42 8.849 10.363 -9.156 1.00 0.00 C ATOM 2156 ND1 HIS B 42 9.858 9.758 -9.892 1.00 0.00 N ATOM 2157 CD2 HIS B 42 8.229 11.235 -10.016 1.00 0.00 C ATOM 2158 CE1 HIS B 42 9.813 10.270 -11.136 1.00 0.00 C ATOM 2159 NE2 HIS B 42 8.838 11.175 -11.265 1.00 0.00 N ATOM 0 H HIS B 42 9.463 9.293 -5.265 1.00 0.00 H new ATOM 0 HA HIS B 42 10.480 11.062 -7.473 1.00 0.00 H new ATOM 0 HB2 HIS B 42 8.639 8.953 -7.562 1.00 0.00 H new ATOM 0 HB3 HIS B 42 7.605 10.360 -7.417 1.00 0.00 H new ATOM 0 HD2 HIS B 42 7.394 11.871 -9.761 1.00 0.00 H new ATOM 0 HE1 HIS B 42 10.483 9.984 -11.933 1.00 0.00 H new ATOM 0 HE2 HIS B 42 8.593 11.707 -12.100 1.00 0.00 H new ATOM 2167 N PHE B 43 8.648 11.753 -4.894 1.00 0.00 N ATOM 2168 CA PHE B 43 8.033 12.887 -4.147 1.00 0.00 C ATOM 2169 C PHE B 43 8.739 13.051 -2.800 1.00 0.00 C ATOM 2170 O PHE B 43 8.147 13.467 -1.824 1.00 0.00 O ATOM 2171 CB PHE B 43 6.546 12.602 -3.912 1.00 0.00 C ATOM 2172 CG PHE B 43 6.334 11.113 -3.766 1.00 0.00 C ATOM 2173 CD1 PHE B 43 7.093 10.385 -2.842 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.377 10.462 -4.556 1.00 0.00 C ATOM 2175 CE1 PHE B 43 6.897 9.005 -2.707 1.00 0.00 C ATOM 2176 CE2 PHE B 43 5.183 9.082 -4.421 1.00 0.00 C ATOM 2177 CZ PHE B 43 5.942 8.354 -3.497 1.00 0.00 C ATOM 0 H PHE B 43 8.731 10.882 -4.370 1.00 0.00 H new ATOM 0 HA PHE B 43 8.138 13.803 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.203 13.118 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE B 43 5.956 12.984 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.830 10.888 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE B 43 4.790 11.024 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.482 8.443 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE B 43 4.447 8.579 -5.030 1.00 0.00 H new ATOM 0 HZ PHE B 43 5.791 7.290 -3.394 1.00 0.00 H new ATOM 2187 N LEU B 44 10.003 12.727 -2.738 1.00 0.00 N ATOM 2188 CA LEU B 44 10.744 12.865 -1.453 1.00 0.00 C ATOM 2189 C LEU B 44 11.669 14.081 -1.524 1.00 0.00 C ATOM 2190 O LEU B 44 12.588 14.128 -2.319 1.00 0.00 O ATOM 2191 CB LEU B 44 11.576 11.604 -1.204 1.00 0.00 C ATOM 2192 CG LEU B 44 11.823 11.442 0.297 1.00 0.00 C ATOM 2193 CD1 LEU B 44 12.644 12.627 0.810 1.00 0.00 C ATOM 2194 CD2 LEU B 44 10.481 11.395 1.031 1.00 0.00 C ATOM 0 H LEU B 44 10.553 12.373 -3.521 1.00 0.00 H new ATOM 0 HA LEU B 44 10.033 12.997 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.055 10.729 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU B 44 12.526 11.672 -1.734 1.00 0.00 H new ATOM 0 HG LEU B 44 12.370 10.517 0.478 1.00 0.00 H new ATOM 0 HD11 LEU B 44 12.820 12.512 1.879 1.00 0.00 H new ATOM 0 HD12 LEU B 44 13.599 12.661 0.287 1.00 0.00 H new ATOM 0 HD13 LEU B 44 12.098 13.553 0.630 1.00 0.00 H new ATOM 0 HD21 LEU B 44 10.655 11.280 2.101 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.935 12.321 0.850 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.896 10.551 0.666 1.00 0.00 H new ATOM 2206 N GLU B 45 11.437 15.065 -0.699 1.00 0.00 N ATOM 2207 CA GLU B 45 12.306 16.276 -0.724 1.00 0.00 C ATOM 2208 C GLU B 45 12.499 16.801 0.700 1.00 0.00 C ATOM 2209 O GLU B 45 13.605 16.898 1.192 1.00 0.00 O ATOM 2210 CB GLU B 45 11.663 17.367 -1.592 1.00 0.00 C ATOM 2211 CG GLU B 45 10.147 17.153 -1.675 1.00 0.00 C ATOM 2212 CD GLU B 45 9.471 18.453 -2.120 1.00 0.00 C ATOM 2213 OE1 GLU B 45 9.572 18.779 -3.291 1.00 0.00 O ATOM 2214 OE2 GLU B 45 8.867 19.101 -1.281 1.00 0.00 O ATOM 0 H GLU B 45 10.685 15.083 -0.010 1.00 0.00 H new ATOM 0 HA GLU B 45 13.275 16.009 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.876 18.350 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.096 17.348 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU B 45 9.920 16.353 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU B 45 9.759 16.843 -0.705 1.00 0.00 H new ATOM 2221 N GLU B 46 11.431 17.143 1.364 1.00 0.00 N ATOM 2222 CA GLU B 46 11.549 17.664 2.755 1.00 0.00 C ATOM 2223 C GLU B 46 11.004 16.625 3.737 1.00 0.00 C ATOM 2224 O GLU B 46 11.353 16.616 4.901 1.00 0.00 O ATOM 2225 CB GLU B 46 10.745 18.960 2.881 1.00 0.00 C ATOM 2226 CG GLU B 46 11.611 20.142 2.443 1.00 0.00 C ATOM 2227 CD GLU B 46 10.841 21.448 2.658 1.00 0.00 C ATOM 2228 OE1 GLU B 46 10.368 21.659 3.762 1.00 0.00 O ATOM 2229 OE2 GLU B 46 10.739 22.214 1.714 1.00 0.00 O ATOM 0 H GLU B 46 10.479 17.084 1.003 1.00 0.00 H new ATOM 0 HA GLU B 46 12.596 17.862 2.983 1.00 0.00 H new ATOM 0 HB2 GLU B 46 9.847 18.905 2.265 1.00 0.00 H new ATOM 0 HB3 GLU B 46 10.417 19.098 3.911 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.540 20.157 3.014 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.884 20.037 1.393 1.00 0.00 H new ATOM 2236 N ILE B 47 10.152 15.749 3.278 1.00 0.00 N ATOM 2237 CA ILE B 47 9.588 14.709 4.185 1.00 0.00 C ATOM 2238 C ILE B 47 8.775 15.382 5.295 1.00 0.00 C ATOM 2239 O ILE B 47 9.186 16.372 5.866 1.00 0.00 O ATOM 2240 CB ILE B 47 10.731 13.901 4.806 1.00 0.00 C ATOM 2241 CG1 ILE B 47 11.519 13.197 3.699 1.00 0.00 C ATOM 2242 CG2 ILE B 47 10.159 12.856 5.765 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.873 12.739 4.246 1.00 0.00 C ATOM 0 H ILE B 47 9.822 15.709 2.314 1.00 0.00 H new ATOM 0 HA ILE B 47 8.939 14.044 3.615 1.00 0.00 H new ATOM 0 HB ILE B 47 11.392 14.573 5.354 1.00 0.00 H new ATOM 0 HG12 ILE B 47 10.957 12.340 3.327 1.00 0.00 H new ATOM 0 HG13 ILE B 47 11.665 13.873 2.856 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.974 12.282 6.206 1.00 0.00 H new ATOM 0 HG22 ILE B 47 9.598 13.355 6.555 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.497 12.185 5.219 1.00 0.00 H new ATOM 0 HD11 ILE B 47 13.433 12.238 3.457 1.00 0.00 H new ATOM 0 HD12 ILE B 47 13.435 13.604 4.597 1.00 0.00 H new ATOM 0 HD13 ILE B 47 12.716 12.048 5.074 1.00 0.00 H new ATOM 2255 N LYS B 48 7.628 14.845 5.610 1.00 0.00 N ATOM 2256 CA LYS B 48 6.793 15.448 6.690 1.00 0.00 C ATOM 2257 C LYS B 48 6.797 14.517 7.900 1.00 0.00 C ATOM 2258 O LYS B 48 7.328 14.842 8.943 1.00 0.00 O ATOM 2259 CB LYS B 48 5.356 15.630 6.195 1.00 0.00 C ATOM 2260 CG LYS B 48 4.687 16.762 6.977 1.00 0.00 C ATOM 2261 CD LYS B 48 3.231 16.909 6.525 1.00 0.00 C ATOM 2262 CE LYS B 48 2.385 17.429 7.690 1.00 0.00 C ATOM 2263 NZ LYS B 48 1.938 16.282 8.531 1.00 0.00 N ATOM 0 H LYS B 48 7.232 14.016 5.167 1.00 0.00 H new ATOM 0 HA LYS B 48 7.202 16.420 6.966 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.353 15.859 5.129 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.796 14.704 6.324 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.727 16.552 8.046 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.225 17.696 6.815 1.00 0.00 H new ATOM 0 HD2 LYS B 48 3.169 17.596 5.681 1.00 0.00 H new ATOM 0 HD3 LYS B 48 2.846 15.948 6.183 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.965 18.130 8.290 1.00 0.00 H new ATOM 0 HE3 LYS B 48 1.521 17.974 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 1.363 16.635 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 1.369 15.630 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 2.769 15.780 8.904 1.00 0.00 H new ATOM 2277 N GLU B 49 6.214 13.356 7.769 1.00 0.00 N ATOM 2278 CA GLU B 49 6.193 12.400 8.910 1.00 0.00 C ATOM 2279 C GLU B 49 7.617 11.912 9.180 1.00 0.00 C ATOM 2280 O GLU B 49 8.039 10.888 8.678 1.00 0.00 O ATOM 2281 CB GLU B 49 5.302 11.204 8.562 1.00 0.00 C ATOM 2282 CG GLU B 49 3.886 11.451 9.087 1.00 0.00 C ATOM 2283 CD GLU B 49 3.867 11.272 10.607 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.725 10.565 11.110 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.997 11.847 11.241 1.00 0.00 O ATOM 0 H GLU B 49 5.752 13.029 6.920 1.00 0.00 H new ATOM 0 HA GLU B 49 5.799 12.897 9.796 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.280 11.056 7.482 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.710 10.293 9.001 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.560 12.457 8.825 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.187 10.757 8.620 1.00 0.00 H new ATOM 2292 N GLN B 50 8.364 12.638 9.964 1.00 0.00 N ATOM 2293 CA GLN B 50 9.761 12.217 10.261 1.00 0.00 C ATOM 2294 C GLN B 50 9.742 10.882 11.005 1.00 0.00 C ATOM 2295 O GLN B 50 10.691 10.125 10.965 1.00 0.00 O ATOM 2296 CB GLN B 50 10.442 13.278 11.130 1.00 0.00 C ATOM 2297 CG GLN B 50 11.899 12.881 11.373 1.00 0.00 C ATOM 2298 CD GLN B 50 12.730 14.134 11.659 1.00 0.00 C ATOM 2299 OE1 GLN B 50 13.445 14.612 10.801 1.00 0.00 O ATOM 2300 NE2 GLN B 50 12.664 14.691 12.839 1.00 0.00 N ATOM 0 H GLN B 50 8.067 13.505 10.412 1.00 0.00 H new ATOM 0 HA GLN B 50 10.313 12.105 9.328 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.396 14.250 10.639 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.917 13.376 12.080 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.963 12.190 12.213 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.295 12.360 10.501 1.00 0.00 H new ATOM 0 HE21 GLN B 50 12.064 14.290 13.559 1.00 0.00 H new ATOM 0 HE22 GLN B 50 13.213 15.527 13.040 1.00 0.00 H new ATOM 2309 N GLU B 51 8.670 10.587 11.687 1.00 0.00 N ATOM 2310 CA GLU B 51 8.595 9.301 12.436 1.00 0.00 C ATOM 2311 C GLU B 51 8.234 8.161 11.478 1.00 0.00 C ATOM 2312 O GLU B 51 8.665 7.039 11.650 1.00 0.00 O ATOM 2313 CB GLU B 51 7.529 9.410 13.528 1.00 0.00 C ATOM 2314 CG GLU B 51 8.166 9.950 14.811 1.00 0.00 C ATOM 2315 CD GLU B 51 7.957 11.464 14.887 1.00 0.00 C ATOM 2316 OE1 GLU B 51 8.790 12.185 14.360 1.00 0.00 O ATOM 2317 OE2 GLU B 51 6.969 11.877 15.472 1.00 0.00 O ATOM 0 H GLU B 51 7.843 11.180 11.758 1.00 0.00 H new ATOM 0 HA GLU B 51 9.563 9.092 12.891 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.726 10.071 13.202 1.00 0.00 H new ATOM 0 HB3 GLU B 51 7.083 8.433 13.714 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.722 9.467 15.681 1.00 0.00 H new ATOM 0 HG3 GLU B 51 9.231 9.718 14.826 1.00 0.00 H new ATOM 2324 N VAL B 52 7.441 8.436 10.476 1.00 0.00 N ATOM 2325 CA VAL B 52 7.052 7.362 9.518 1.00 0.00 C ATOM 2326 C VAL B 52 8.243 7.004 8.628 1.00 0.00 C ATOM 2327 O VAL B 52 8.555 5.847 8.430 1.00 0.00 O ATOM 2328 CB VAL B 52 5.900 7.852 8.641 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.501 6.747 7.663 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.702 8.207 9.522 1.00 0.00 C ATOM 0 H VAL B 52 7.047 9.356 10.281 1.00 0.00 H new ATOM 0 HA VAL B 52 6.740 6.481 10.078 1.00 0.00 H new ATOM 0 HB VAL B 52 6.217 8.735 8.086 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.679 7.095 7.037 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.354 6.492 7.034 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.185 5.865 8.220 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.881 8.556 8.896 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.385 7.325 10.078 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.985 8.994 10.221 1.00 0.00 H new ATOM 2340 N VAL B 53 8.908 7.984 8.084 1.00 0.00 N ATOM 2341 CA VAL B 53 10.073 7.687 7.207 1.00 0.00 C ATOM 2342 C VAL B 53 11.263 7.273 8.072 1.00 0.00 C ATOM 2343 O VAL B 53 12.141 6.554 7.638 1.00 0.00 O ATOM 2344 CB VAL B 53 10.438 8.932 6.400 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.631 8.621 5.493 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.242 9.352 5.542 1.00 0.00 C ATOM 0 H VAL B 53 8.696 8.974 8.208 1.00 0.00 H new ATOM 0 HA VAL B 53 9.817 6.877 6.524 1.00 0.00 H new ATOM 0 HB VAL B 53 10.700 9.742 7.081 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.892 9.509 4.917 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.483 8.321 6.103 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.369 7.811 4.812 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.502 10.240 4.966 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.980 8.542 4.861 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.392 9.573 6.187 1.00 0.00 H new ATOM 2356 N ASP B 54 11.299 7.725 9.294 1.00 0.00 N ATOM 2357 CA ASP B 54 12.427 7.359 10.189 1.00 0.00 C ATOM 2358 C ASP B 54 12.183 5.966 10.772 1.00 0.00 C ATOM 2359 O ASP B 54 13.108 5.274 11.143 1.00 0.00 O ATOM 2360 CB ASP B 54 12.532 8.377 11.328 1.00 0.00 C ATOM 2361 CG ASP B 54 13.712 8.015 12.231 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.812 7.893 11.715 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.498 7.868 13.423 1.00 0.00 O ATOM 0 H ASP B 54 10.594 8.333 9.711 1.00 0.00 H new ATOM 0 HA ASP B 54 13.356 7.358 9.618 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.666 9.380 10.922 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.608 8.388 11.906 1.00 0.00 H new ATOM 2368 N LYS B 55 10.949 5.539 10.855 1.00 0.00 N ATOM 2369 CA LYS B 55 10.682 4.184 11.416 1.00 0.00 C ATOM 2370 C LYS B 55 11.001 3.126 10.357 1.00 0.00 C ATOM 2371 O LYS B 55 11.558 2.088 10.653 1.00 0.00 O ATOM 2372 CB LYS B 55 9.214 4.069 11.848 1.00 0.00 C ATOM 2373 CG LYS B 55 8.289 4.326 10.654 1.00 0.00 C ATOM 2374 CD LYS B 55 6.877 3.833 10.980 1.00 0.00 C ATOM 2375 CE LYS B 55 6.471 4.315 12.376 1.00 0.00 C ATOM 2376 NZ LYS B 55 6.516 3.168 13.328 1.00 0.00 N ATOM 0 H LYS B 55 10.125 6.064 10.562 1.00 0.00 H new ATOM 0 HA LYS B 55 11.314 4.025 12.290 1.00 0.00 H new ATOM 0 HB2 LYS B 55 9.024 3.077 12.257 1.00 0.00 H new ATOM 0 HB3 LYS B 55 9.004 4.786 12.641 1.00 0.00 H new ATOM 0 HG2 LYS B 55 8.268 5.390 10.420 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.669 3.813 9.770 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.171 4.204 10.237 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.842 2.744 10.936 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.143 5.106 12.710 1.00 0.00 H new ATOM 0 HE3 LYS B 55 5.468 4.740 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 5.859 3.344 14.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.240 2.296 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.481 3.064 13.701 1.00 0.00 H new ATOM 2390 N VAL B 56 10.664 3.381 9.120 1.00 0.00 N ATOM 2391 CA VAL B 56 10.964 2.391 8.054 1.00 0.00 C ATOM 2392 C VAL B 56 12.425 2.547 7.638 1.00 0.00 C ATOM 2393 O VAL B 56 13.103 1.590 7.315 1.00 0.00 O ATOM 2394 CB VAL B 56 10.056 2.642 6.849 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.666 2.067 7.125 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.938 4.147 6.587 1.00 0.00 C ATOM 0 H VAL B 56 10.195 4.231 8.806 1.00 0.00 H new ATOM 0 HA VAL B 56 10.790 1.381 8.425 1.00 0.00 H new ATOM 0 HB VAL B 56 10.487 2.156 5.973 1.00 0.00 H new ATOM 0 HG11 VAL B 56 8.021 2.247 6.265 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.745 0.994 7.302 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.241 2.549 8.005 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.290 4.317 5.727 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.514 4.637 7.464 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.926 4.559 6.383 1.00 0.00 H new ATOM 2406 N MET B 57 12.910 3.753 7.656 1.00 0.00 N ATOM 2407 CA MET B 57 14.325 4.006 7.279 1.00 0.00 C ATOM 2408 C MET B 57 15.229 3.554 8.425 1.00 0.00 C ATOM 2409 O MET B 57 16.374 3.201 8.224 1.00 0.00 O ATOM 2410 CB MET B 57 14.509 5.505 7.028 1.00 0.00 C ATOM 2411 CG MET B 57 15.914 5.773 6.496 1.00 0.00 C ATOM 2412 SD MET B 57 15.822 6.869 5.056 1.00 0.00 S ATOM 2413 CE MET B 57 14.894 5.756 3.968 1.00 0.00 C ATOM 0 H MET B 57 12.381 4.584 7.919 1.00 0.00 H new ATOM 0 HA MET B 57 14.584 3.454 6.375 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.766 5.857 6.312 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.349 6.060 7.952 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.527 6.229 7.274 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.394 4.834 6.221 1.00 0.00 H new ATOM 0 HE1 MET B 57 15.253 5.865 2.944 1.00 0.00 H new ATOM 0 HE2 MET B 57 15.036 4.726 4.294 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.834 6.007 4.010 1.00 0.00 H new ATOM 2423 N GLU B 58 14.720 3.548 9.629 1.00 0.00 N ATOM 2424 CA GLU B 58 15.552 3.097 10.781 1.00 0.00 C ATOM 2425 C GLU B 58 15.563 1.569 10.804 1.00 0.00 C ATOM 2426 O GLU B 58 16.605 0.948 10.869 1.00 0.00 O ATOM 2427 CB GLU B 58 14.968 3.622 12.095 1.00 0.00 C ATOM 2428 CG GLU B 58 15.428 5.066 12.323 1.00 0.00 C ATOM 2429 CD GLU B 58 14.787 5.610 13.601 1.00 0.00 C ATOM 2430 OE1 GLU B 58 13.781 5.058 14.017 1.00 0.00 O ATOM 2431 OE2 GLU B 58 15.313 6.568 14.145 1.00 0.00 O ATOM 0 H GLU B 58 13.769 3.834 9.863 1.00 0.00 H new ATOM 0 HA GLU B 58 16.566 3.482 10.671 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.879 3.577 12.064 1.00 0.00 H new ATOM 0 HB3 GLU B 58 15.289 2.992 12.925 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.514 5.104 12.404 1.00 0.00 H new ATOM 0 HG3 GLU B 58 15.149 5.686 11.471 1.00 0.00 H new ATOM 2438 N THR B 59 14.411 0.956 10.730 1.00 0.00 N ATOM 2439 CA THR B 59 14.370 -0.533 10.725 1.00 0.00 C ATOM 2440 C THR B 59 15.079 -1.016 9.464 1.00 0.00 C ATOM 2441 O THR B 59 15.667 -2.080 9.427 1.00 0.00 O ATOM 2442 CB THR B 59 12.914 -1.008 10.711 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.141 -0.182 11.571 1.00 0.00 O ATOM 2444 CG2 THR B 59 12.845 -2.458 11.193 1.00 0.00 C ATOM 0 H THR B 59 13.504 1.419 10.673 1.00 0.00 H new ATOM 0 HA THR B 59 14.859 -0.931 11.614 1.00 0.00 H new ATOM 0 HB THR B 59 12.519 -0.946 9.697 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.714 0.527 11.047 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.809 -2.796 11.183 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.439 -3.090 10.532 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.238 -2.523 12.208 1.00 0.00 H new ATOM 2452 N LEU B 60 15.028 -0.222 8.432 1.00 0.00 N ATOM 2453 CA LEU B 60 15.696 -0.591 7.158 1.00 0.00 C ATOM 2454 C LEU B 60 17.213 -0.589 7.367 1.00 0.00 C ATOM 2455 O LEU B 60 17.886 -1.574 7.132 1.00 0.00 O ATOM 2456 CB LEU B 60 15.316 0.443 6.094 1.00 0.00 C ATOM 2457 CG LEU B 60 14.095 -0.052 5.319 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.576 1.067 4.413 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.489 -1.259 4.463 1.00 0.00 C ATOM 0 H LEU B 60 14.546 0.677 8.419 1.00 0.00 H new ATOM 0 HA LEU B 60 15.382 -1.584 6.836 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.098 1.402 6.564 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.152 0.605 5.413 1.00 0.00 H new ATOM 0 HG LEU B 60 13.313 -0.343 6.021 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.705 0.714 3.861 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.295 1.927 5.021 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.357 1.359 3.711 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.619 -1.613 3.910 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.271 -0.968 3.762 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.858 -2.057 5.107 1.00 0.00 H new ATOM 2471 N ASP B 61 17.749 0.514 7.812 1.00 0.00 N ATOM 2472 CA ASP B 61 19.218 0.597 8.044 1.00 0.00 C ATOM 2473 C ASP B 61 19.569 -0.048 9.389 1.00 0.00 C ATOM 2474 O ASP B 61 20.717 -0.097 9.783 1.00 0.00 O ATOM 2475 CB ASP B 61 19.644 2.067 8.062 1.00 0.00 C ATOM 2476 CG ASP B 61 20.905 2.246 7.214 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.966 1.658 6.146 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.788 2.967 7.648 1.00 0.00 O ATOM 0 H ASP B 61 17.230 1.365 8.026 1.00 0.00 H new ATOM 0 HA ASP B 61 19.740 0.070 7.245 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.841 2.694 7.674 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.833 2.389 9.086 1.00 0.00 H new ATOM 2483 N GLU B 62 18.589 -0.539 10.100 1.00 0.00 N ATOM 2484 CA GLU B 62 18.873 -1.173 11.420 1.00 0.00 C ATOM 2485 C GLU B 62 19.380 -2.599 11.205 1.00 0.00 C ATOM 2486 O GLU B 62 20.252 -3.073 11.907 1.00 0.00 O ATOM 2487 CB GLU B 62 17.592 -1.206 12.258 1.00 0.00 C ATOM 2488 CG GLU B 62 17.850 -1.976 13.555 1.00 0.00 C ATOM 2489 CD GLU B 62 16.676 -1.771 14.514 1.00 0.00 C ATOM 2490 OE1 GLU B 62 15.705 -1.152 14.109 1.00 0.00 O ATOM 2491 OE2 GLU B 62 16.766 -2.238 15.638 1.00 0.00 O ATOM 0 H GLU B 62 17.607 -0.529 9.825 1.00 0.00 H new ATOM 0 HA GLU B 62 19.634 -0.594 11.943 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.266 -0.191 12.484 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.788 -1.680 11.695 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.977 -3.037 13.341 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.775 -1.631 14.017 1.00 0.00 H new ATOM 2498 N ASP B 63 18.841 -3.287 10.239 1.00 0.00 N ATOM 2499 CA ASP B 63 19.289 -4.684 9.976 1.00 0.00 C ATOM 2500 C ASP B 63 20.137 -4.716 8.705 1.00 0.00 C ATOM 2501 O ASP B 63 21.328 -4.958 8.744 1.00 0.00 O ATOM 2502 CB ASP B 63 18.066 -5.587 9.796 1.00 0.00 C ATOM 2503 CG ASP B 63 18.083 -6.689 10.855 1.00 0.00 C ATOM 2504 OD1 ASP B 63 18.686 -6.477 11.895 1.00 0.00 O ATOM 2505 OD2 ASP B 63 17.492 -7.728 10.609 1.00 0.00 O ATOM 0 H ASP B 63 18.108 -2.943 9.619 1.00 0.00 H new ATOM 0 HA ASP B 63 19.882 -5.040 10.818 1.00 0.00 H new ATOM 0 HB2 ASP B 63 17.152 -5.000 9.882 1.00 0.00 H new ATOM 0 HB3 ASP B 63 18.070 -6.027 8.799 1.00 0.00 H new ATOM 2510 N GLY B 64 19.532 -4.469 7.579 1.00 0.00 N ATOM 2511 CA GLY B 64 20.299 -4.482 6.301 1.00 0.00 C ATOM 2512 C GLY B 64 20.374 -5.911 5.757 1.00 0.00 C ATOM 2513 O GLY B 64 20.006 -6.177 4.629 1.00 0.00 O ATOM 0 H GLY B 64 18.538 -4.258 7.487 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.819 -3.830 5.571 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.304 -4.092 6.465 1.00 0.00 H new ATOM 2517 N ASP B 65 20.851 -6.836 6.547 1.00 0.00 N ATOM 2518 CA ASP B 65 20.950 -8.246 6.071 1.00 0.00 C ATOM 2519 C ASP B 65 19.775 -9.057 6.620 1.00 0.00 C ATOM 2520 O ASP B 65 19.841 -10.267 6.730 1.00 0.00 O ATOM 2521 CB ASP B 65 22.263 -8.859 6.561 1.00 0.00 C ATOM 2522 CG ASP B 65 22.519 -10.172 5.818 1.00 0.00 C ATOM 2523 OD1 ASP B 65 21.976 -10.334 4.737 1.00 0.00 O ATOM 2524 OD2 ASP B 65 23.254 -10.994 6.343 1.00 0.00 O ATOM 0 H ASP B 65 21.176 -6.676 7.501 1.00 0.00 H new ATOM 0 HA ASP B 65 20.924 -8.262 4.981 1.00 0.00 H new ATOM 0 HB2 ASP B 65 23.087 -8.166 6.391 1.00 0.00 H new ATOM 0 HB3 ASP B 65 22.215 -9.039 7.635 1.00 0.00 H new ATOM 2529 N GLY B 66 18.699 -8.403 6.966 1.00 0.00 N ATOM 2530 CA GLY B 66 17.523 -9.135 7.506 1.00 0.00 C ATOM 2531 C GLY B 66 16.528 -9.414 6.377 1.00 0.00 C ATOM 2532 O GLY B 66 16.570 -8.795 5.332 1.00 0.00 O ATOM 0 H GLY B 66 18.586 -7.392 6.897 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.843 -10.072 7.962 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.044 -8.547 8.289 1.00 0.00 H new ATOM 2536 N GLU B 67 15.634 -10.343 6.580 1.00 0.00 N ATOM 2537 CA GLU B 67 14.638 -10.662 5.518 1.00 0.00 C ATOM 2538 C GLU B 67 13.281 -10.061 5.894 1.00 0.00 C ATOM 2539 O GLU B 67 12.942 -9.949 7.056 1.00 0.00 O ATOM 2540 CB GLU B 67 14.508 -12.180 5.385 1.00 0.00 C ATOM 2541 CG GLU B 67 14.303 -12.799 6.768 1.00 0.00 C ATOM 2542 CD GLU B 67 13.762 -14.221 6.614 1.00 0.00 C ATOM 2543 OE1 GLU B 67 14.563 -15.121 6.418 1.00 0.00 O ATOM 2544 OE2 GLU B 67 12.555 -14.387 6.694 1.00 0.00 O ATOM 0 H GLU B 67 15.550 -10.894 7.434 1.00 0.00 H new ATOM 0 HA GLU B 67 14.968 -10.241 4.568 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.668 -12.428 4.736 1.00 0.00 H new ATOM 0 HB3 GLU B 67 15.403 -12.593 4.920 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.246 -12.814 7.315 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.607 -12.194 7.349 1.00 0.00 H new ATOM 2551 N CYS B 68 12.501 -9.669 4.921 1.00 0.00 N ATOM 2552 CA CYS B 68 11.168 -9.072 5.227 1.00 0.00 C ATOM 2553 C CYS B 68 10.064 -9.953 4.638 1.00 0.00 C ATOM 2554 O CYS B 68 10.326 -10.901 3.925 1.00 0.00 O ATOM 2555 CB CYS B 68 11.080 -7.670 4.616 1.00 0.00 C ATOM 2556 SG CYS B 68 12.682 -6.841 4.766 1.00 0.00 S ATOM 0 H CYS B 68 12.729 -9.736 3.929 1.00 0.00 H new ATOM 0 HA CYS B 68 11.043 -9.006 6.308 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.791 -7.737 3.567 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.310 -7.089 5.123 1.00 0.00 H new ATOM 0 HG CYS B 68 12.606 -5.652 4.245 1.00 0.00 H new ATOM 2562 N ASP B 69 8.829 -9.642 4.928 1.00 0.00 N ATOM 2563 CA ASP B 69 7.707 -10.458 4.383 1.00 0.00 C ATOM 2564 C ASP B 69 6.974 -9.652 3.310 1.00 0.00 C ATOM 2565 O ASP B 69 7.351 -8.542 2.992 1.00 0.00 O ATOM 2566 CB ASP B 69 6.736 -10.811 5.513 1.00 0.00 C ATOM 2567 CG ASP B 69 7.336 -11.926 6.372 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.851 -12.875 5.803 1.00 0.00 O ATOM 2569 OD2 ASP B 69 7.270 -11.814 7.585 1.00 0.00 O ATOM 0 H ASP B 69 8.549 -8.859 5.518 1.00 0.00 H new ATOM 0 HA ASP B 69 8.099 -11.376 3.946 1.00 0.00 H new ATOM 0 HB2 ASP B 69 6.539 -9.931 6.126 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.780 -11.131 5.099 1.00 0.00 H new ATOM 2574 N PHE B 70 5.930 -10.195 2.746 1.00 0.00 N ATOM 2575 CA PHE B 70 5.188 -9.442 1.697 1.00 0.00 C ATOM 2576 C PHE B 70 4.260 -8.422 2.361 1.00 0.00 C ATOM 2577 O PHE B 70 4.032 -7.348 1.840 1.00 0.00 O ATOM 2578 CB PHE B 70 4.374 -10.409 0.827 1.00 0.00 C ATOM 2579 CG PHE B 70 3.504 -11.294 1.692 1.00 0.00 C ATOM 2580 CD1 PHE B 70 4.003 -12.510 2.177 1.00 0.00 C ATOM 2581 CD2 PHE B 70 2.192 -10.906 1.993 1.00 0.00 C ATOM 2582 CE1 PHE B 70 3.191 -13.335 2.966 1.00 0.00 C ATOM 2583 CE2 PHE B 70 1.382 -11.732 2.782 1.00 0.00 C ATOM 2584 CZ PHE B 70 1.881 -12.946 3.268 1.00 0.00 C ATOM 0 H PHE B 70 5.561 -11.121 2.964 1.00 0.00 H new ATOM 0 HA PHE B 70 5.900 -8.918 1.060 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.752 -9.846 0.131 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.047 -11.023 0.228 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.013 -12.811 1.943 1.00 0.00 H new ATOM 0 HD2 PHE B 70 1.805 -9.970 1.617 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.576 -14.272 3.341 1.00 0.00 H new ATOM 0 HE2 PHE B 70 0.371 -11.432 3.016 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.255 -13.582 3.876 1.00 0.00 H new ATOM 2594 N GLN B 71 3.736 -8.737 3.514 1.00 0.00 N ATOM 2595 CA GLN B 71 2.842 -7.765 4.207 1.00 0.00 C ATOM 2596 C GLN B 71 3.709 -6.709 4.890 1.00 0.00 C ATOM 2597 O GLN B 71 3.277 -5.603 5.144 1.00 0.00 O ATOM 2598 CB GLN B 71 2.001 -8.491 5.260 1.00 0.00 C ATOM 2599 CG GLN B 71 1.085 -9.508 4.575 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.334 -9.379 5.137 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.990 -10.370 5.389 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.837 -8.193 5.346 1.00 0.00 N ATOM 0 H GLN B 71 3.886 -9.619 4.004 1.00 0.00 H new ATOM 0 HA GLN B 71 2.175 -7.296 3.483 1.00 0.00 H new ATOM 0 HB2 GLN B 71 2.651 -8.996 5.974 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.406 -7.772 5.823 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.078 -9.339 3.498 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.461 -10.518 4.737 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.286 -7.361 5.134 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.781 -8.098 5.721 1.00 0.00 H new ATOM 2611 N GLU B 72 4.937 -7.045 5.186 1.00 0.00 N ATOM 2612 CA GLU B 72 5.842 -6.067 5.845 1.00 0.00 C ATOM 2613 C GLU B 72 6.334 -5.065 4.799 1.00 0.00 C ATOM 2614 O GLU B 72 6.182 -3.870 4.951 1.00 0.00 O ATOM 2615 CB GLU B 72 7.033 -6.815 6.449 1.00 0.00 C ATOM 2616 CG GLU B 72 6.703 -7.227 7.883 1.00 0.00 C ATOM 2617 CD GLU B 72 7.885 -6.895 8.794 1.00 0.00 C ATOM 2618 OE1 GLU B 72 8.403 -5.795 8.683 1.00 0.00 O ATOM 2619 OE2 GLU B 72 8.254 -7.745 9.587 1.00 0.00 O ATOM 0 H GLU B 72 5.350 -7.958 4.998 1.00 0.00 H new ATOM 0 HA GLU B 72 5.312 -5.536 6.636 1.00 0.00 H new ATOM 0 HB2 GLU B 72 7.264 -7.696 5.850 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.919 -6.180 6.437 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.809 -6.706 8.226 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.486 -8.294 7.925 1.00 0.00 H new ATOM 2626 N PHE B 73 6.912 -5.546 3.732 1.00 0.00 N ATOM 2627 CA PHE B 73 7.398 -4.623 2.670 1.00 0.00 C ATOM 2628 C PHE B 73 6.191 -3.877 2.090 1.00 0.00 C ATOM 2629 O PHE B 73 6.306 -2.785 1.570 1.00 0.00 O ATOM 2630 CB PHE B 73 8.128 -5.448 1.582 1.00 0.00 C ATOM 2631 CG PHE B 73 7.425 -5.342 0.242 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.285 -6.115 -0.014 1.00 0.00 C ATOM 2633 CD2 PHE B 73 7.911 -4.467 -0.738 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.633 -6.013 -1.249 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.258 -4.366 -1.973 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.119 -5.139 -2.228 1.00 0.00 C ATOM 0 H PHE B 73 7.068 -6.538 3.551 1.00 0.00 H new ATOM 0 HA PHE B 73 8.101 -3.894 3.072 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.155 -5.096 1.485 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.177 -6.493 1.887 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.909 -6.789 0.741 1.00 0.00 H new ATOM 0 HD2 PHE B 73 8.789 -3.870 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.754 -6.609 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE B 73 7.633 -3.692 -2.729 1.00 0.00 H new ATOM 0 HZ PHE B 73 5.615 -5.061 -3.180 1.00 0.00 H new ATOM 2646 N MET B 74 5.034 -4.474 2.177 1.00 0.00 N ATOM 2647 CA MET B 74 3.810 -3.825 1.635 1.00 0.00 C ATOM 2648 C MET B 74 3.423 -2.642 2.527 1.00 0.00 C ATOM 2649 O MET B 74 3.232 -1.536 2.059 1.00 0.00 O ATOM 2650 CB MET B 74 2.671 -4.849 1.614 1.00 0.00 C ATOM 2651 CG MET B 74 2.534 -5.457 0.211 1.00 0.00 C ATOM 2652 SD MET B 74 2.291 -4.150 -1.023 1.00 0.00 S ATOM 2653 CE MET B 74 1.291 -3.034 -0.005 1.00 0.00 C ATOM 0 H MET B 74 4.885 -5.389 2.603 1.00 0.00 H new ATOM 0 HA MET B 74 3.998 -3.465 0.624 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.866 -5.636 2.342 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.736 -4.370 1.904 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.427 -6.033 -0.031 1.00 0.00 H new ATOM 0 HG3 MET B 74 1.692 -6.149 0.188 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.673 -2.409 -0.650 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.650 -3.619 0.655 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.947 -2.402 0.593 1.00 0.00 H new ATOM 2663 N ALA B 75 3.311 -2.861 3.809 1.00 0.00 N ATOM 2664 CA ALA B 75 2.943 -1.745 4.724 1.00 0.00 C ATOM 2665 C ALA B 75 4.098 -0.743 4.781 1.00 0.00 C ATOM 2666 O ALA B 75 3.922 0.406 5.136 1.00 0.00 O ATOM 2667 CB ALA B 75 2.680 -2.296 6.127 1.00 0.00 C ATOM 0 H ALA B 75 3.458 -3.763 4.261 1.00 0.00 H new ATOM 0 HA ALA B 75 2.043 -1.252 4.356 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.411 -1.478 6.795 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.863 -3.016 6.088 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.579 -2.787 6.499 1.00 0.00 H new ATOM 2673 N PHE B 76 5.281 -1.173 4.429 1.00 0.00 N ATOM 2674 CA PHE B 76 6.456 -0.258 4.456 1.00 0.00 C ATOM 2675 C PHE B 76 6.378 0.703 3.267 1.00 0.00 C ATOM 2676 O PHE B 76 6.761 1.852 3.357 1.00 0.00 O ATOM 2677 CB PHE B 76 7.743 -1.085 4.358 1.00 0.00 C ATOM 2678 CG PHE B 76 8.443 -1.105 5.698 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.786 -1.615 6.824 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.752 -0.618 5.812 1.00 0.00 C ATOM 2681 CE1 PHE B 76 8.437 -1.637 8.064 1.00 0.00 C ATOM 2682 CE2 PHE B 76 10.402 -0.640 7.052 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.744 -1.150 8.178 1.00 0.00 C ATOM 0 H PHE B 76 5.483 -2.125 4.122 1.00 0.00 H new ATOM 0 HA PHE B 76 6.456 0.311 5.385 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.509 -2.102 4.044 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.402 -0.661 3.600 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.777 -1.991 6.737 1.00 0.00 H new ATOM 0 HD2 PHE B 76 10.260 -0.226 4.943 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.930 -2.030 8.933 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.411 -0.264 7.140 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.245 -1.167 9.134 1.00 0.00 H new ATOM 2693 N VAL B 77 5.886 0.236 2.152 1.00 0.00 N ATOM 2694 CA VAL B 77 5.780 1.110 0.949 1.00 0.00 C ATOM 2695 C VAL B 77 4.646 2.124 1.141 1.00 0.00 C ATOM 2696 O VAL B 77 4.646 3.188 0.555 1.00 0.00 O ATOM 2697 CB VAL B 77 5.479 0.239 -0.272 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.311 1.122 -1.509 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.636 -0.739 -0.498 1.00 0.00 C ATOM 0 H VAL B 77 5.551 -0.719 2.022 1.00 0.00 H new ATOM 0 HA VAL B 77 6.718 1.646 0.804 1.00 0.00 H new ATOM 0 HB VAL B 77 4.558 -0.317 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.097 0.497 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.487 1.817 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.230 1.682 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.423 -1.360 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.557 -0.181 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.753 -1.373 0.381 1.00 0.00 H new ATOM 2709 N SER B 78 3.674 1.795 1.944 1.00 0.00 N ATOM 2710 CA SER B 78 2.533 2.733 2.159 1.00 0.00 C ATOM 2711 C SER B 78 2.927 3.851 3.132 1.00 0.00 C ATOM 2712 O SER B 78 2.582 5.000 2.940 1.00 0.00 O ATOM 2713 CB SER B 78 1.348 1.956 2.732 1.00 0.00 C ATOM 2714 OG SER B 78 0.987 0.917 1.830 1.00 0.00 O ATOM 0 H SER B 78 3.618 0.918 2.462 1.00 0.00 H new ATOM 0 HA SER B 78 2.261 3.183 1.204 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.609 1.536 3.703 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.502 2.625 2.891 1.00 0.00 H new ATOM 0 HG SER B 78 1.651 0.198 1.877 1.00 0.00 H new ATOM 2720 N MET B 79 3.633 3.527 4.181 1.00 0.00 N ATOM 2721 CA MET B 79 4.027 4.575 5.165 1.00 0.00 C ATOM 2722 C MET B 79 4.910 5.630 4.491 1.00 0.00 C ATOM 2723 O MET B 79 4.768 6.813 4.727 1.00 0.00 O ATOM 2724 CB MET B 79 4.800 3.925 6.316 1.00 0.00 C ATOM 2725 CG MET B 79 4.195 2.557 6.641 1.00 0.00 C ATOM 2726 SD MET B 79 3.832 2.462 8.413 1.00 0.00 S ATOM 2727 CE MET B 79 4.813 0.981 8.766 1.00 0.00 C ATOM 0 H MET B 79 3.954 2.584 4.399 1.00 0.00 H new ATOM 0 HA MET B 79 3.128 5.058 5.548 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.849 3.813 6.044 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.766 4.566 7.197 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.283 2.404 6.064 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.888 1.765 6.358 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.732 0.735 9.825 1.00 0.00 H new ATOM 0 HE2 MET B 79 4.441 0.147 8.170 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.857 1.168 8.515 1.00 0.00 H new ATOM 2737 N VAL B 80 5.834 5.213 3.669 1.00 0.00 N ATOM 2738 CA VAL B 80 6.737 6.194 3.002 1.00 0.00 C ATOM 2739 C VAL B 80 6.043 6.846 1.800 1.00 0.00 C ATOM 2740 O VAL B 80 6.211 8.023 1.545 1.00 0.00 O ATOM 2741 CB VAL B 80 8.001 5.478 2.529 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.930 5.252 3.723 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.633 4.129 1.906 1.00 0.00 C ATOM 0 H VAL B 80 6.003 4.236 3.430 1.00 0.00 H new ATOM 0 HA VAL B 80 6.994 6.973 3.720 1.00 0.00 H new ATOM 0 HB VAL B 80 8.505 6.091 1.782 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.833 4.741 3.390 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.198 6.213 4.163 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.422 4.641 4.469 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.539 3.624 1.571 1.00 0.00 H new ATOM 0 HG22 VAL B 80 7.127 3.512 2.648 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.971 4.290 1.055 1.00 0.00 H new ATOM 2753 N THR B 81 5.274 6.102 1.053 1.00 0.00 N ATOM 2754 CA THR B 81 4.591 6.702 -0.132 1.00 0.00 C ATOM 2755 C THR B 81 3.548 7.723 0.332 1.00 0.00 C ATOM 2756 O THR B 81 2.959 8.425 -0.466 1.00 0.00 O ATOM 2757 CB THR B 81 3.908 5.597 -0.945 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.865 4.600 -1.281 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.318 6.189 -2.229 1.00 0.00 C ATOM 0 H THR B 81 5.089 5.111 1.209 1.00 0.00 H new ATOM 0 HA THR B 81 5.329 7.205 -0.756 1.00 0.00 H new ATOM 0 HB THR B 81 3.108 5.154 -0.352 1.00 0.00 H new ATOM 0 HG1 THR B 81 5.063 4.057 -0.490 1.00 0.00 H new ATOM 0 HG21 THR B 81 2.833 5.400 -2.804 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.585 6.954 -1.974 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.115 6.634 -2.824 1.00 0.00 H new ATOM 2767 N THR B 82 3.315 7.817 1.613 1.00 0.00 N ATOM 2768 CA THR B 82 2.310 8.799 2.114 1.00 0.00 C ATOM 2769 C THR B 82 3.020 9.917 2.882 1.00 0.00 C ATOM 2770 O THR B 82 2.534 11.027 2.968 1.00 0.00 O ATOM 2771 CB THR B 82 1.324 8.090 3.043 1.00 0.00 C ATOM 2772 OG1 THR B 82 2.024 7.143 3.840 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.259 7.375 2.210 1.00 0.00 C ATOM 0 H THR B 82 3.775 7.259 2.332 1.00 0.00 H new ATOM 0 HA THR B 82 1.771 9.227 1.269 1.00 0.00 H new ATOM 0 HB THR B 82 0.842 8.823 3.690 1.00 0.00 H new ATOM 0 HG1 THR B 82 2.017 6.271 3.393 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.443 6.870 2.873 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.277 8.104 1.601 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.737 6.641 1.561 1.00 0.00 H new ATOM 2781 N ALA B 83 4.165 9.634 3.445 1.00 0.00 N ATOM 2782 CA ALA B 83 4.898 10.686 4.207 1.00 0.00 C ATOM 2783 C ALA B 83 5.093 11.920 3.320 1.00 0.00 C ATOM 2784 O ALA B 83 4.258 12.801 3.274 1.00 0.00 O ATOM 2785 CB ALA B 83 6.264 10.145 4.642 1.00 0.00 C ATOM 0 H ALA B 83 4.623 8.723 3.410 1.00 0.00 H new ATOM 0 HA ALA B 83 4.321 10.963 5.089 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.799 10.914 5.199 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.124 9.269 5.276 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.842 9.866 3.761 1.00 0.00 H new ATOM 2791 N CYS B 84 6.190 11.989 2.615 1.00 0.00 N ATOM 2792 CA CYS B 84 6.437 13.165 1.731 1.00 0.00 C ATOM 2793 C CYS B 84 6.090 14.456 2.481 1.00 0.00 C ATOM 2794 O CYS B 84 5.872 14.452 3.676 1.00 0.00 O ATOM 2795 CB CYS B 84 5.564 13.054 0.479 1.00 0.00 C ATOM 2796 SG CYS B 84 5.507 11.329 -0.067 1.00 0.00 S ATOM 0 H CYS B 84 6.926 11.282 2.613 1.00 0.00 H new ATOM 0 HA CYS B 84 7.488 13.185 1.443 1.00 0.00 H new ATOM 0 HB2 CYS B 84 4.557 13.412 0.692 1.00 0.00 H new ATOM 0 HB3 CYS B 84 5.966 13.684 -0.314 1.00 0.00 H new ATOM 0 HG CYS B 84 5.986 11.239 -1.272 1.00 0.00 H new ATOM 2802 N HIS B 85 6.038 15.561 1.786 1.00 0.00 N ATOM 2803 CA HIS B 85 5.706 16.851 2.459 1.00 0.00 C ATOM 2804 C HIS B 85 4.582 17.550 1.690 1.00 0.00 C ATOM 2805 O HIS B 85 3.631 18.039 2.266 1.00 0.00 O ATOM 2806 CB HIS B 85 6.946 17.745 2.481 1.00 0.00 C ATOM 2807 CG HIS B 85 6.783 18.813 3.531 1.00 0.00 C ATOM 2808 ND1 HIS B 85 5.709 18.832 4.409 1.00 0.00 N ATOM 2809 CD2 HIS B 85 7.553 19.902 3.857 1.00 0.00 C ATOM 2810 CE1 HIS B 85 5.864 19.900 5.214 1.00 0.00 C ATOM 2811 NE2 HIS B 85 6.972 20.586 4.921 1.00 0.00 N ATOM 0 H HIS B 85 6.211 15.626 0.783 1.00 0.00 H new ATOM 0 HA HIS B 85 5.380 16.658 3.481 1.00 0.00 H new ATOM 0 HB2 HIS B 85 7.833 17.148 2.691 1.00 0.00 H new ATOM 0 HB3 HIS B 85 7.094 18.203 1.503 1.00 0.00 H new ATOM 0 HD2 HIS B 85 8.471 20.185 3.363 1.00 0.00 H new ATOM 0 HE1 HIS B 85 5.176 20.169 6.001 1.00 0.00 H new ATOM 0 HE2 HIS B 85 7.318 21.429 5.378 1.00 0.00 H new ATOM 2819 N GLU B 86 4.685 17.599 0.390 1.00 0.00 N ATOM 2820 CA GLU B 86 3.623 18.262 -0.419 1.00 0.00 C ATOM 2821 C GLU B 86 2.562 17.227 -0.800 1.00 0.00 C ATOM 2822 O GLU B 86 1.984 17.278 -1.868 1.00 0.00 O ATOM 2823 CB GLU B 86 4.240 18.850 -1.690 1.00 0.00 C ATOM 2824 CG GLU B 86 4.785 20.249 -1.396 1.00 0.00 C ATOM 2825 CD GLU B 86 5.556 20.759 -2.615 1.00 0.00 C ATOM 2826 OE1 GLU B 86 5.996 19.936 -3.401 1.00 0.00 O ATOM 2827 OE2 GLU B 86 5.692 21.965 -2.741 1.00 0.00 O ATOM 0 H GLU B 86 5.459 17.208 -0.147 1.00 0.00 H new ATOM 0 HA GLU B 86 3.165 19.061 0.163 1.00 0.00 H new ATOM 0 HB2 GLU B 86 5.041 18.205 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU B 86 3.491 18.899 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU B 86 3.966 20.928 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU B 86 5.438 20.221 -0.524 1.00 0.00 H new ATOM 2834 N PHE B 87 2.305 16.283 0.063 1.00 0.00 N ATOM 2835 CA PHE B 87 1.285 15.242 -0.251 1.00 0.00 C ATOM 2836 C PHE B 87 1.848 14.288 -1.307 1.00 0.00 C ATOM 2837 O PHE B 87 3.032 14.018 -1.345 1.00 0.00 O ATOM 2838 CB PHE B 87 0.019 15.918 -0.790 1.00 0.00 C ATOM 2839 CG PHE B 87 -1.201 15.097 -0.425 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -1.065 13.744 -0.080 1.00 0.00 C ATOM 2841 CD2 PHE B 87 -2.469 15.692 -0.431 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -2.196 12.990 0.259 1.00 0.00 C ATOM 2843 CE2 PHE B 87 -3.599 14.938 -0.090 1.00 0.00 C ATOM 2844 CZ PHE B 87 -3.462 13.587 0.255 1.00 0.00 C ATOM 0 H PHE B 87 2.757 16.187 0.972 1.00 0.00 H new ATOM 0 HA PHE B 87 1.039 14.682 0.651 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.071 16.922 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE B 87 0.086 16.024 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.088 13.284 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.575 16.733 -0.699 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.091 11.948 0.523 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -4.576 15.398 -0.093 1.00 0.00 H new ATOM 0 HZ PHE B 87 -4.334 13.006 0.518 1.00 0.00 H new ATOM 2854 N PHE B 88 1.010 13.775 -2.167 1.00 0.00 N ATOM 2855 CA PHE B 88 1.503 12.840 -3.219 1.00 0.00 C ATOM 2856 C PHE B 88 2.429 13.590 -4.180 1.00 0.00 C ATOM 2857 O PHE B 88 3.636 13.482 -4.104 1.00 0.00 O ATOM 2858 CB PHE B 88 0.313 12.266 -3.990 1.00 0.00 C ATOM 2859 CG PHE B 88 -0.651 11.623 -3.022 1.00 0.00 C ATOM 2860 CD1 PHE B 88 -0.165 10.896 -1.927 1.00 0.00 C ATOM 2861 CD2 PHE B 88 -2.031 11.752 -3.221 1.00 0.00 C ATOM 2862 CE1 PHE B 88 -1.060 10.298 -1.032 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -2.925 11.154 -2.325 1.00 0.00 C ATOM 2864 CZ PHE B 88 -2.440 10.428 -1.231 1.00 0.00 C ATOM 0 H PHE B 88 0.008 13.962 -2.187 1.00 0.00 H new ATOM 0 HA PHE B 88 2.056 12.026 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -0.188 13.057 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE B 88 0.658 11.532 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE B 88 0.899 10.797 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -2.405 12.312 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -0.686 9.737 -0.188 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -3.990 11.253 -2.478 1.00 0.00 H new ATOM 0 HZ PHE B 88 -3.131 9.968 -0.540 1.00 0.00 H new ATOM 2874 N GLU B 89 1.874 14.351 -5.083 1.00 0.00 N ATOM 2875 CA GLU B 89 2.726 15.108 -6.045 1.00 0.00 C ATOM 2876 C GLU B 89 2.679 16.598 -5.703 1.00 0.00 C ATOM 2877 O GLU B 89 3.632 17.158 -5.198 1.00 0.00 O ATOM 2878 CB GLU B 89 2.212 14.888 -7.470 1.00 0.00 C ATOM 2879 CG GLU B 89 3.377 14.999 -8.458 1.00 0.00 C ATOM 2880 CD GLU B 89 4.362 13.851 -8.218 1.00 0.00 C ATOM 2881 OE1 GLU B 89 3.907 12.737 -8.024 1.00 0.00 O ATOM 2882 OE2 GLU B 89 5.555 14.108 -8.234 1.00 0.00 O ATOM 0 H GLU B 89 0.869 14.482 -5.197 1.00 0.00 H new ATOM 0 HA GLU B 89 3.755 14.754 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU B 89 1.745 13.907 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU B 89 1.447 15.626 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU B 89 3.004 14.964 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU B 89 3.882 15.957 -8.335 1.00 0.00 H new ATOM 2889 N HIS B 90 1.580 17.243 -5.971 1.00 0.00 N ATOM 2890 CA HIS B 90 1.471 18.697 -5.655 1.00 0.00 C ATOM 2891 C HIS B 90 0.005 19.058 -5.409 1.00 0.00 C ATOM 2892 O HIS B 90 -0.316 19.835 -4.532 1.00 0.00 O ATOM 2893 CB HIS B 90 2.019 19.520 -6.826 1.00 0.00 C ATOM 2894 CG HIS B 90 1.043 19.484 -7.971 1.00 0.00 C ATOM 2895 ND1 HIS B 90 1.041 18.461 -8.906 1.00 0.00 N ATOM 2896 CD2 HIS B 90 0.032 20.337 -8.345 1.00 0.00 C ATOM 2897 CE1 HIS B 90 0.060 18.721 -9.789 1.00 0.00 C ATOM 2898 NE2 HIS B 90 -0.587 19.853 -9.494 1.00 0.00 N ATOM 0 H HIS B 90 0.751 16.828 -6.396 1.00 0.00 H new ATOM 0 HA HIS B 90 2.051 18.919 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.188 20.550 -6.512 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.982 19.122 -7.144 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.240 21.244 -7.826 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -0.176 18.091 -10.634 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -1.366 20.272 -10.002 1.00 0.00 H new ATOM 2906 N GLU B 91 -0.886 18.498 -6.177 1.00 0.00 N ATOM 2907 CA GLU B 91 -2.333 18.804 -5.991 1.00 0.00 C ATOM 2908 C GLU B 91 -3.159 17.545 -6.266 1.00 0.00 C ATOM 2909 O GLU B 91 -3.689 17.435 -7.359 1.00 0.00 O ATOM 2910 CB GLU B 91 -2.752 19.911 -6.961 1.00 0.00 C ATOM 2911 CG GLU B 91 -4.122 20.454 -6.551 1.00 0.00 C ATOM 2912 CD GLU B 91 -4.939 20.780 -7.803 1.00 0.00 C ATOM 2913 OE1 GLU B 91 -5.504 19.861 -8.374 1.00 0.00 O ATOM 2914 OE2 GLU B 91 -4.986 21.943 -8.169 1.00 0.00 O ATOM 2915 OXT GLU B 91 -3.245 16.712 -5.379 1.00 0.00 O ATOM 0 H GLU B 91 -0.675 17.840 -6.927 1.00 0.00 H new ATOM 0 HA GLU B 91 -2.505 19.136 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -2.014 20.713 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -2.792 19.522 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -4.648 19.719 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -4.002 21.348 -5.939 1.00 0.00 H new TER 2922 GLU B 91