USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1238 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 119 LYS NZ :NH3+ 165:sc= 1.01 (180deg=-0.898!) USER MOD Set 1.2: B 121 GLN : amide:sc= 1.03 K(o=2,f=-12!) USER MOD Set 2.1: B 83 TYR OH : rot 30:sc= 0.398 USER MOD Set 2.2: B 117 ASN : amide:sc= -0.0309 X(o=0.79,f=0.81) USER MOD Set 2.3: B 118 THR OG1 : rot -176:sc= 0.418 USER MOD Set 3.1: B 99 LYS NZ :NH3+ 158:sc= 2.14 (180deg=-0.249) USER MOD Set 3.2: B 100 ASN : amide:sc= 0.806 K(o=2.9,f=-5.7!) USER MOD Set 4.1: B 59 TYR OH : rot -15:sc= 1.05 USER MOD Set 4.2: B 62 LYS NZ :NH3+ -159:sc= 1.3 (180deg=0) USER MOD Set 5.1: B 50 ASN : amide:sc= 0.799 K(o=3.2,f=-6.6!) USER MOD Set 5.2: B 56 LYS NZ :NH3+ 155:sc= 2.41 (180deg=1.08) USER MOD Set 6.1: B 52 GLN : amide:sc= 0.587 K(o=1.8,f=0.22) USER MOD Set 6.2: B 54 SER OG : rot -160:sc= 1.19 USER MOD Set 7.1: A 68 HIS : +bothHN:sc= 0.561! C(o=1.4!,f=-8.8!) USER MOD Set 7.2: B 109 GLN : amide:sc= 0.798 K(o=1.4,f=0.57) USER MOD Set 8.1: A 55 THR OG1 : rot 180:sc=-0.00757 USER MOD Set 8.2: A 57 SER OG : rot 180:sc= 0.127 USER MOD Set 9.1: A 49 GLN : amide:sc= 0.94 K(o=0.74,f=-7!) USER MOD Set 9.2: B 105 MET CE :methyl -174:sc= -0.204 (180deg=-0.431) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.08 (180deg=1.07) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.476 F(o=-1.4,f=-0.48) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.324) USER MOD Single : A 7 THR OG1 : rot -73:sc= 0.7 USER MOD Single : A 9 THR OG1 : rot -16:sc= 0.705 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0927 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 137:sc= 1.39 USER MOD Single : A 25 ASN : amide:sc= 0.632 K(o=0.63,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 1.36 (180deg=0.526) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.07) USER MOD Single : A 31 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.318) USER MOD Single : A 40 GLN : amide:sc= -0.274 K(o=-0.27,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= -0.814 K(o=-0.81,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -53:sc= 0.28 USER MOD Single : A 60 ASN : amide:sc= -0.0722 X(o=-0.072,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= -0.694 X(o=-0.69,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -77:sc= 0.763 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.7!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0.0818 USER MOD Single : B 73 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.68) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ -151:sc= -0.205 (180deg=-0.719) USER MOD Single : B 84 ASN : amide:sc= 0.148 X(o=0.15,f=-0.24) USER MOD Single : B 85 THR OG1 : rot -84:sc= 1.12 USER MOD Single : B 86 SER OG : rot 42:sc= 0.0242 USER MOD Single : B 92 THR OG1 : rot -64:sc= 0.858 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= -0.395 K(o=-0.4,f=-1.3!) USER MOD Single : B 98 GLN :FLIP amide:sc= -0.466 F(o=-0.99,f=-0.47) USER MOD Single : B 103 ASN : amide:sc= 0.222 K(o=0.22,f=-7.9!) USER MOD Single : B 112 LYS NZ :NH3+ -170:sc= 1.21 (180deg=0.97) USER MOD Single : B 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 127 ASN : amide:sc= 0.128 K(o=0.13,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.548 4.811 -9.802 1.00 1.33 N ATOM 2 CA MET A 1 -19.225 5.320 -9.371 1.00 1.28 C ATOM 3 C MET A 1 -18.171 4.223 -9.501 1.00 1.15 C ATOM 4 O MET A 1 -18.425 3.064 -9.182 1.00 1.19 O ATOM 5 CB MET A 1 -19.304 5.833 -7.921 1.00 1.53 C ATOM 6 CG MET A 1 -18.020 5.660 -7.120 1.00 1.58 C ATOM 7 SD MET A 1 -16.794 6.941 -7.453 1.00 1.88 S ATOM 8 CE MET A 1 -17.311 8.208 -6.297 1.00 1.44 C ATOM 0 H1 MET A 1 -21.251 5.575 -9.742 1.00 1.33 H new ATOM 0 H2 MET A 1 -20.487 4.474 -10.784 1.00 1.33 H new ATOM 0 H3 MET A 1 -20.836 4.026 -9.184 1.00 1.33 H new ATOM 0 HA MET A 1 -18.936 6.150 -10.015 1.00 1.28 H new ATOM 0 HB2 MET A 1 -19.568 6.890 -7.937 1.00 1.53 H new ATOM 0 HB3 MET A 1 -20.111 5.311 -7.407 1.00 1.53 H new ATOM 0 HG2 MET A 1 -18.260 5.664 -6.057 1.00 1.58 H new ATOM 0 HG3 MET A 1 -17.588 4.685 -7.346 1.00 1.58 H new ATOM 0 HE1 MET A 1 -16.649 9.070 -6.381 1.00 1.44 H new ATOM 0 HE2 MET A 1 -18.333 8.512 -6.524 1.00 1.44 H new ATOM 0 HE3 MET A 1 -17.266 7.814 -5.282 1.00 1.44 H new ATOM 20 N GLN A 2 -16.991 4.585 -9.976 1.00 1.16 N ATOM 21 CA GLN A 2 -15.919 3.618 -10.145 1.00 1.06 C ATOM 22 C GLN A 2 -14.622 4.131 -9.538 1.00 1.00 C ATOM 23 O GLN A 2 -14.081 5.154 -9.966 1.00 1.13 O ATOM 24 CB GLN A 2 -15.722 3.296 -11.627 1.00 1.18 C ATOM 25 CG GLN A 2 -14.692 2.207 -11.879 1.00 1.27 C ATOM 26 CD GLN A 2 -15.102 1.264 -12.991 1.00 1.41 C ATOM 27 OE1 GLN A 2 -15.763 0.175 -12.630 1.00 1.59 O flip ATOM 28 NE2 GLN A 2 -14.821 1.507 -14.161 1.00 1.75 N flip ATOM 0 H GLN A 2 -16.751 5.538 -10.251 1.00 1.16 H new ATOM 0 HA GLN A 2 -16.200 2.704 -9.622 1.00 1.06 H new ATOM 0 HB2 GLN A 2 -16.677 2.988 -12.054 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -15.416 4.202 -12.150 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -13.737 2.667 -12.131 1.00 1.27 H new ATOM 0 HG3 GLN A 2 -14.539 1.637 -10.962 1.00 1.27 H new ATOM 0 HE21 GLN A 2 -14.310 2.358 -14.397 1.00 1.75 H new ATOM 0 HE22 GLN A 2 -15.098 0.858 -14.897 1.00 1.75 H new ATOM 37 N ILE A 3 -14.132 3.422 -8.534 1.00 0.88 N ATOM 38 CA ILE A 3 -12.893 3.797 -7.870 1.00 0.82 C ATOM 39 C ILE A 3 -11.759 2.873 -8.295 1.00 0.81 C ATOM 40 O ILE A 3 -11.996 1.730 -8.700 1.00 0.85 O ATOM 41 CB ILE A 3 -13.016 3.778 -6.328 1.00 0.75 C ATOM 42 CG1 ILE A 3 -13.397 2.374 -5.815 1.00 0.68 C ATOM 43 CG2 ILE A 3 -14.022 4.827 -5.861 1.00 0.82 C ATOM 44 CD1 ILE A 3 -14.875 2.183 -5.537 1.00 1.10 C ATOM 0 H ILE A 3 -14.574 2.582 -8.160 1.00 0.88 H new ATOM 0 HA ILE A 3 -12.675 4.820 -8.175 1.00 0.82 H new ATOM 0 HB ILE A 3 -12.042 4.026 -5.906 1.00 0.75 H new ATOM 0 HG12 ILE A 3 -13.081 1.635 -6.551 1.00 0.68 H new ATOM 0 HG13 ILE A 3 -12.840 2.172 -4.900 1.00 0.68 H new ATOM 0 HG21 ILE A 3 -14.097 4.801 -4.774 1.00 0.82 H new ATOM 0 HG22 ILE A 3 -13.690 5.816 -6.178 1.00 0.82 H new ATOM 0 HG23 ILE A 3 -14.998 4.615 -6.297 1.00 0.82 H new ATOM 0 HD11 ILE A 3 -15.050 1.168 -5.181 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -15.197 2.895 -4.777 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -15.442 2.349 -6.453 1.00 1.10 H new ATOM 56 N PHE A 4 -10.532 3.368 -8.202 1.00 0.80 N ATOM 57 CA PHE A 4 -9.364 2.588 -8.582 1.00 0.81 C ATOM 58 C PHE A 4 -8.597 2.148 -7.343 1.00 0.75 C ATOM 59 O PHE A 4 -7.886 2.941 -6.722 1.00 0.82 O ATOM 60 CB PHE A 4 -8.445 3.402 -9.502 1.00 0.87 C ATOM 61 CG PHE A 4 -9.105 3.895 -10.761 1.00 0.99 C ATOM 62 CD1 PHE A 4 -10.011 3.105 -11.452 1.00 1.30 C ATOM 63 CD2 PHE A 4 -8.814 5.157 -11.255 1.00 1.00 C ATOM 64 CE1 PHE A 4 -10.613 3.563 -12.608 1.00 1.45 C ATOM 65 CE2 PHE A 4 -9.412 5.618 -12.411 1.00 1.14 C ATOM 66 CZ PHE A 4 -10.312 4.821 -13.088 1.00 1.30 C ATOM 0 H PHE A 4 -10.321 4.308 -7.866 1.00 0.80 H new ATOM 0 HA PHE A 4 -9.705 1.705 -9.122 1.00 0.81 H new ATOM 0 HB2 PHE A 4 -8.062 4.259 -8.947 1.00 0.87 H new ATOM 0 HB3 PHE A 4 -7.586 2.788 -9.773 1.00 0.87 H new ATOM 0 HD1 PHE A 4 -10.249 2.119 -11.082 1.00 1.30 H new ATOM 0 HD2 PHE A 4 -8.111 5.787 -10.730 1.00 1.00 H new ATOM 0 HE1 PHE A 4 -11.318 2.937 -13.135 1.00 1.45 H new ATOM 0 HE2 PHE A 4 -9.175 6.603 -12.785 1.00 1.14 H new ATOM 0 HZ PHE A 4 -10.780 5.181 -13.992 1.00 1.30 H new ATOM 76 N VAL A 5 -8.758 0.886 -6.971 1.00 0.66 N ATOM 77 CA VAL A 5 -8.070 0.345 -5.807 1.00 0.60 C ATOM 78 C VAL A 5 -6.777 -0.356 -6.222 1.00 0.60 C ATOM 79 O VAL A 5 -6.784 -1.267 -7.051 1.00 0.67 O ATOM 80 CB VAL A 5 -8.977 -0.620 -4.995 1.00 0.60 C ATOM 81 CG1 VAL A 5 -9.559 -1.712 -5.880 1.00 0.71 C ATOM 82 CG2 VAL A 5 -8.220 -1.234 -3.822 1.00 0.56 C ATOM 0 H VAL A 5 -9.357 0.219 -7.457 1.00 0.66 H new ATOM 0 HA VAL A 5 -7.821 1.184 -5.158 1.00 0.60 H new ATOM 0 HB VAL A 5 -9.803 -0.029 -4.598 1.00 0.60 H new ATOM 0 HG11 VAL A 5 -10.188 -2.369 -5.280 1.00 0.71 H new ATOM 0 HG12 VAL A 5 -10.157 -1.259 -6.671 1.00 0.71 H new ATOM 0 HG13 VAL A 5 -8.749 -2.291 -6.324 1.00 0.71 H new ATOM 0 HG21 VAL A 5 -8.881 -1.904 -3.273 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -7.363 -1.795 -4.195 1.00 0.56 H new ATOM 0 HG23 VAL A 5 -7.874 -0.442 -3.158 1.00 0.56 H new ATOM 92 N LYS A 6 -5.665 0.098 -5.662 1.00 0.58 N ATOM 93 CA LYS A 6 -4.361 -0.475 -5.966 1.00 0.63 C ATOM 94 C LYS A 6 -3.965 -1.485 -4.895 1.00 0.62 C ATOM 95 O LYS A 6 -4.029 -1.195 -3.697 1.00 0.59 O ATOM 96 CB LYS A 6 -3.296 0.624 -6.067 1.00 0.69 C ATOM 97 CG LYS A 6 -1.935 0.119 -6.529 1.00 1.21 C ATOM 98 CD LYS A 6 -0.825 1.122 -6.243 1.00 1.24 C ATOM 99 CE LYS A 6 -0.923 2.344 -7.143 1.00 1.27 C ATOM 100 NZ LYS A 6 0.400 2.995 -7.338 1.00 1.38 N ATOM 0 H LYS A 6 -5.640 0.866 -4.991 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.428 -0.984 -6.928 1.00 0.63 H new ATOM 0 HB2 LYS A 6 -3.643 1.391 -6.759 1.00 0.69 H new ATOM 0 HB3 LYS A 6 -3.185 1.100 -5.093 1.00 0.69 H new ATOM 0 HG2 LYS A 6 -1.710 -0.823 -6.029 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -1.969 -0.088 -7.599 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -0.877 1.434 -5.200 1.00 1.24 H new ATOM 0 HD3 LYS A 6 0.144 0.643 -6.385 1.00 1.24 H new ATOM 0 HE2 LYS A 6 -1.330 2.051 -8.111 1.00 1.27 H new ATOM 0 HE3 LYS A 6 -1.620 3.060 -6.708 1.00 1.27 H new ATOM 0 HZ1 LYS A 6 0.261 3.971 -7.670 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 0.917 3.007 -6.436 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.948 2.463 -8.044 1.00 1.38 H new ATOM 114 N THR A 7 -3.562 -2.670 -5.330 1.00 0.66 N ATOM 115 CA THR A 7 -3.153 -3.722 -4.418 1.00 0.67 C ATOM 116 C THR A 7 -1.681 -3.584 -4.038 1.00 0.73 C ATOM 117 O THR A 7 -0.987 -2.684 -4.512 1.00 0.74 O ATOM 118 CB THR A 7 -3.386 -5.111 -5.039 1.00 0.71 C ATOM 119 OG1 THR A 7 -2.863 -5.140 -6.373 1.00 0.96 O ATOM 120 CG2 THR A 7 -4.866 -5.457 -5.062 1.00 0.94 C ATOM 0 H THR A 7 -3.510 -2.926 -6.316 1.00 0.66 H new ATOM 0 HA THR A 7 -3.762 -3.622 -3.520 1.00 0.67 H new ATOM 0 HB THR A 7 -2.870 -5.850 -4.426 1.00 0.71 H new ATOM 0 HG1 THR A 7 -3.444 -4.616 -6.964 1.00 0.96 H new ATOM 0 HG21 THR A 7 -5.002 -6.443 -5.506 1.00 0.94 H new ATOM 0 HG22 THR A 7 -5.255 -5.460 -4.044 1.00 0.94 H new ATOM 0 HG23 THR A 7 -5.404 -4.716 -5.653 1.00 0.94 H new ATOM 128 N LEU A 8 -1.215 -4.495 -3.193 1.00 0.81 N ATOM 129 CA LEU A 8 0.171 -4.505 -2.736 1.00 0.90 C ATOM 130 C LEU A 8 1.144 -4.707 -3.899 1.00 0.96 C ATOM 131 O LEU A 8 2.259 -4.195 -3.882 1.00 1.02 O ATOM 132 CB LEU A 8 0.352 -5.619 -1.702 1.00 0.98 C ATOM 133 CG LEU A 8 1.801 -5.997 -1.386 1.00 1.11 C ATOM 134 CD1 LEU A 8 2.411 -5.013 -0.402 1.00 1.20 C ATOM 135 CD2 LEU A 8 1.871 -7.418 -0.841 1.00 1.24 C ATOM 0 H LEU A 8 -1.785 -5.247 -2.805 1.00 0.81 H new ATOM 0 HA LEU A 8 0.393 -3.538 -2.285 1.00 0.90 H new ATOM 0 HB2 LEU A 8 -0.135 -5.314 -0.776 1.00 0.98 H new ATOM 0 HB3 LEU A 8 -0.168 -6.509 -2.058 1.00 0.98 H new ATOM 0 HG LEU A 8 2.378 -5.953 -2.310 1.00 1.11 H new ATOM 0 HD11 LEU A 8 3.441 -5.300 -0.191 1.00 1.20 H new ATOM 0 HD12 LEU A 8 2.394 -4.011 -0.832 1.00 1.20 H new ATOM 0 HD13 LEU A 8 1.836 -5.020 0.524 1.00 1.20 H new ATOM 0 HD21 LEU A 8 2.908 -7.673 -0.621 1.00 1.24 H new ATOM 0 HD22 LEU A 8 1.279 -7.487 0.071 1.00 1.24 H new ATOM 0 HD23 LEU A 8 1.477 -8.112 -1.583 1.00 1.24 H new ATOM 147 N THR A 9 0.708 -5.441 -4.916 1.00 0.98 N ATOM 148 CA THR A 9 1.556 -5.719 -6.069 1.00 1.08 C ATOM 149 C THR A 9 1.472 -4.605 -7.116 1.00 1.09 C ATOM 150 O THR A 9 2.180 -4.634 -8.125 1.00 1.26 O ATOM 151 CB THR A 9 1.198 -7.080 -6.709 1.00 1.14 C ATOM 152 OG1 THR A 9 1.974 -7.306 -7.892 1.00 1.25 O ATOM 153 CG2 THR A 9 -0.280 -7.152 -7.054 1.00 1.12 C ATOM 0 H THR A 9 -0.224 -5.853 -4.966 1.00 0.98 H new ATOM 0 HA THR A 9 2.583 -5.764 -5.706 1.00 1.08 H new ATOM 0 HB THR A 9 1.427 -7.854 -5.977 1.00 1.14 H new ATOM 0 HG1 THR A 9 2.375 -6.462 -8.186 1.00 1.25 H new ATOM 0 HG21 THR A 9 -0.502 -8.120 -7.502 1.00 1.12 H new ATOM 0 HG22 THR A 9 -0.872 -7.028 -6.147 1.00 1.12 H new ATOM 0 HG23 THR A 9 -0.528 -6.360 -7.760 1.00 1.12 H new ATOM 161 N GLY A 10 0.612 -3.621 -6.877 1.00 0.96 N ATOM 162 CA GLY A 10 0.476 -2.519 -7.810 1.00 1.01 C ATOM 163 C GLY A 10 -0.650 -2.719 -8.805 1.00 0.98 C ATOM 164 O GLY A 10 -0.895 -1.859 -9.652 1.00 1.12 O ATOM 0 H GLY A 10 0.009 -3.567 -6.056 1.00 0.96 H new ATOM 0 HA2 GLY A 10 0.302 -1.598 -7.253 1.00 1.01 H new ATOM 0 HA3 GLY A 10 1.413 -2.391 -8.352 1.00 1.01 H new ATOM 168 N LYS A 11 -1.336 -3.852 -8.711 1.00 0.97 N ATOM 169 CA LYS A 11 -2.443 -4.145 -9.609 1.00 0.94 C ATOM 170 C LYS A 11 -3.671 -3.335 -9.206 1.00 0.88 C ATOM 171 O LYS A 11 -4.130 -3.420 -8.062 1.00 0.93 O ATOM 172 CB LYS A 11 -2.778 -5.639 -9.593 1.00 0.93 C ATOM 173 CG LYS A 11 -1.937 -6.475 -10.551 1.00 1.18 C ATOM 174 CD LYS A 11 -2.202 -7.967 -10.368 1.00 1.26 C ATOM 175 CE LYS A 11 -1.883 -8.765 -11.625 1.00 1.59 C ATOM 176 NZ LYS A 11 -0.429 -8.789 -11.926 1.00 2.04 N ATOM 0 H LYS A 11 -1.145 -4.580 -8.023 1.00 0.97 H new ATOM 0 HA LYS A 11 -2.145 -3.869 -10.620 1.00 0.94 H new ATOM 0 HB2 LYS A 11 -2.643 -6.020 -8.581 1.00 0.93 H new ATOM 0 HB3 LYS A 11 -3.831 -5.767 -9.844 1.00 0.93 H new ATOM 0 HG2 LYS A 11 -2.160 -6.188 -11.579 1.00 1.18 H new ATOM 0 HG3 LYS A 11 -0.880 -6.269 -10.384 1.00 1.18 H new ATOM 0 HD2 LYS A 11 -1.602 -8.342 -9.539 1.00 1.26 H new ATOM 0 HD3 LYS A 11 -3.247 -8.119 -10.099 1.00 1.26 H new ATOM 0 HE2 LYS A 11 -2.243 -9.787 -11.505 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -2.419 -8.335 -12.471 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -0.262 -9.344 -12.790 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -0.088 -7.817 -12.068 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 0.083 -9.223 -11.132 1.00 2.04 H new ATOM 190 N THR A 12 -4.188 -2.548 -10.136 1.00 0.85 N ATOM 191 CA THR A 12 -5.359 -1.720 -9.882 1.00 0.84 C ATOM 192 C THR A 12 -6.633 -2.419 -10.348 1.00 0.83 C ATOM 193 O THR A 12 -6.690 -2.937 -11.466 1.00 0.94 O ATOM 194 CB THR A 12 -5.230 -0.363 -10.598 1.00 0.94 C ATOM 195 OG1 THR A 12 -3.843 -0.052 -10.791 1.00 1.01 O ATOM 196 CG2 THR A 12 -5.894 0.744 -9.792 1.00 0.92 C ATOM 0 H THR A 12 -3.813 -2.464 -11.081 1.00 0.85 H new ATOM 0 HA THR A 12 -5.419 -1.555 -8.806 1.00 0.84 H new ATOM 0 HB THR A 12 -5.731 -0.434 -11.563 1.00 0.94 H new ATOM 0 HG1 THR A 12 -3.762 0.811 -11.248 1.00 1.01 H new ATOM 0 HG21 THR A 12 -5.789 1.692 -10.320 1.00 0.92 H new ATOM 0 HG22 THR A 12 -6.952 0.516 -9.664 1.00 0.92 H new ATOM 0 HG23 THR A 12 -5.418 0.818 -8.814 1.00 0.92 H new ATOM 204 N ILE A 13 -7.642 -2.441 -9.487 1.00 0.75 N ATOM 205 CA ILE A 13 -8.915 -3.072 -9.813 1.00 0.76 C ATOM 206 C ILE A 13 -10.014 -2.020 -9.924 1.00 0.76 C ATOM 207 O ILE A 13 -10.091 -1.100 -9.106 1.00 0.75 O ATOM 208 CB ILE A 13 -9.320 -4.122 -8.755 1.00 0.75 C ATOM 209 CG1 ILE A 13 -8.139 -5.036 -8.429 1.00 0.75 C ATOM 210 CG2 ILE A 13 -10.506 -4.944 -9.245 1.00 0.82 C ATOM 211 CD1 ILE A 13 -7.814 -5.095 -6.953 1.00 0.85 C ATOM 0 H ILE A 13 -7.604 -2.028 -8.555 1.00 0.75 H new ATOM 0 HA ILE A 13 -8.790 -3.579 -10.770 1.00 0.76 H new ATOM 0 HB ILE A 13 -9.614 -3.598 -7.846 1.00 0.75 H new ATOM 0 HG12 ILE A 13 -8.359 -6.042 -8.785 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -7.260 -4.690 -8.973 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -10.778 -5.679 -8.487 1.00 0.82 H new ATOM 0 HG22 ILE A 13 -11.354 -4.285 -9.431 1.00 0.82 H new ATOM 0 HG23 ILE A 13 -10.236 -5.458 -10.168 1.00 0.82 H new ATOM 0 HD11 ILE A 13 -6.966 -5.761 -6.793 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -7.563 -4.096 -6.596 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.678 -5.470 -6.405 1.00 0.85 H new ATOM 223 N THR A 14 -10.851 -2.152 -10.941 1.00 0.83 N ATOM 224 CA THR A 14 -11.942 -1.221 -11.166 1.00 0.86 C ATOM 225 C THR A 14 -13.200 -1.657 -10.424 1.00 0.83 C ATOM 226 O THR A 14 -13.880 -2.597 -10.833 1.00 0.89 O ATOM 227 CB THR A 14 -12.248 -1.115 -12.664 1.00 1.01 C ATOM 228 OG1 THR A 14 -11.766 -2.290 -13.334 1.00 1.16 O ATOM 229 CG2 THR A 14 -11.592 0.120 -13.259 1.00 1.39 C ATOM 0 H THR A 14 -10.793 -2.903 -11.629 1.00 0.83 H new ATOM 0 HA THR A 14 -11.632 -0.248 -10.785 1.00 0.86 H new ATOM 0 HB THR A 14 -13.327 -1.032 -12.797 1.00 1.01 H new ATOM 0 HG1 THR A 14 -11.963 -2.224 -14.292 1.00 1.16 H new ATOM 0 HG21 THR A 14 -11.821 0.177 -14.323 1.00 1.39 H new ATOM 0 HG22 THR A 14 -11.971 1.011 -12.758 1.00 1.39 H new ATOM 0 HG23 THR A 14 -10.512 0.060 -13.123 1.00 1.39 H new ATOM 237 N LEU A 15 -13.506 -0.980 -9.328 1.00 0.81 N ATOM 238 CA LEU A 15 -14.685 -1.317 -8.540 1.00 0.81 C ATOM 239 C LEU A 15 -15.843 -0.387 -8.868 1.00 0.88 C ATOM 240 O LEU A 15 -15.761 0.827 -8.659 1.00 0.89 O ATOM 241 CB LEU A 15 -14.370 -1.262 -7.043 1.00 0.76 C ATOM 242 CG LEU A 15 -14.245 -2.626 -6.350 1.00 0.80 C ATOM 243 CD1 LEU A 15 -15.556 -3.395 -6.430 1.00 0.99 C ATOM 244 CD2 LEU A 15 -13.114 -3.440 -6.962 1.00 0.85 C ATOM 0 H LEU A 15 -12.960 -0.199 -8.965 1.00 0.81 H new ATOM 0 HA LEU A 15 -14.978 -2.335 -8.797 1.00 0.81 H new ATOM 0 HB2 LEU A 15 -13.437 -0.715 -6.904 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -15.152 -0.690 -6.544 1.00 0.76 H new ATOM 0 HG LEU A 15 -14.014 -2.450 -5.299 1.00 0.80 H new ATOM 0 HD11 LEU A 15 -15.444 -4.358 -5.932 1.00 0.99 H new ATOM 0 HD12 LEU A 15 -16.344 -2.823 -5.940 1.00 0.99 H new ATOM 0 HD13 LEU A 15 -15.821 -3.555 -7.475 1.00 0.99 H new ATOM 0 HD21 LEU A 15 -13.043 -4.403 -6.456 1.00 0.85 H new ATOM 0 HD22 LEU A 15 -13.313 -3.601 -8.021 1.00 0.85 H new ATOM 0 HD23 LEU A 15 -12.174 -2.900 -6.848 1.00 0.85 H new ATOM 256 N GLU A 16 -16.910 -0.963 -9.399 1.00 0.98 N ATOM 257 CA GLU A 16 -18.097 -0.204 -9.761 1.00 1.07 C ATOM 258 C GLU A 16 -19.164 -0.338 -8.675 1.00 1.06 C ATOM 259 O GLU A 16 -19.677 -1.426 -8.413 1.00 1.07 O ATOM 260 CB GLU A 16 -18.643 -0.656 -11.127 1.00 1.19 C ATOM 261 CG GLU A 16 -19.001 -2.137 -11.218 1.00 1.26 C ATOM 262 CD GLU A 16 -17.787 -3.027 -11.390 1.00 1.29 C ATOM 263 OE1 GLU A 16 -17.210 -3.453 -10.368 1.00 1.32 O ATOM 264 OE2 GLU A 16 -17.399 -3.297 -12.546 1.00 1.35 O ATOM 0 H GLU A 16 -16.978 -1.963 -9.590 1.00 0.98 H new ATOM 0 HA GLU A 16 -17.821 0.847 -9.845 1.00 1.07 H new ATOM 0 HB2 GLU A 16 -19.531 -0.068 -11.360 1.00 1.19 H new ATOM 0 HB3 GLU A 16 -17.900 -0.429 -11.892 1.00 1.19 H new ATOM 0 HG2 GLU A 16 -19.537 -2.432 -10.316 1.00 1.26 H new ATOM 0 HG3 GLU A 16 -19.680 -2.291 -12.057 1.00 1.26 H new ATOM 271 N VAL A 17 -19.475 0.777 -8.036 1.00 1.05 N ATOM 272 CA VAL A 17 -20.472 0.822 -6.970 1.00 1.06 C ATOM 273 C VAL A 17 -21.148 2.185 -6.961 1.00 1.12 C ATOM 274 O VAL A 17 -20.704 3.102 -7.645 1.00 1.18 O ATOM 275 CB VAL A 17 -19.847 0.565 -5.578 1.00 0.99 C ATOM 276 CG1 VAL A 17 -19.718 -0.924 -5.296 1.00 1.05 C ATOM 277 CG2 VAL A 17 -18.494 1.254 -5.462 1.00 0.92 C ATOM 0 H VAL A 17 -19.045 1.680 -8.239 1.00 1.05 H new ATOM 0 HA VAL A 17 -21.197 0.033 -7.168 1.00 1.06 H new ATOM 0 HB VAL A 17 -20.516 0.988 -4.829 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -19.276 -1.071 -4.311 1.00 1.05 H new ATOM 0 HG12 VAL A 17 -20.705 -1.386 -5.323 1.00 1.05 H new ATOM 0 HG13 VAL A 17 -19.081 -1.384 -6.052 1.00 1.05 H new ATOM 0 HG21 VAL A 17 -18.071 1.061 -4.476 1.00 0.92 H new ATOM 0 HG22 VAL A 17 -17.822 0.867 -6.227 1.00 0.92 H new ATOM 0 HG23 VAL A 17 -18.620 2.328 -5.599 1.00 0.92 H new ATOM 287 N GLU A 18 -22.215 2.331 -6.197 1.00 1.15 N ATOM 288 CA GLU A 18 -22.911 3.607 -6.125 1.00 1.20 C ATOM 289 C GLU A 18 -22.672 4.262 -4.767 1.00 1.10 C ATOM 290 O GLU A 18 -22.339 3.581 -3.805 1.00 1.08 O ATOM 291 CB GLU A 18 -24.405 3.417 -6.386 1.00 1.39 C ATOM 292 CG GLU A 18 -24.757 3.408 -7.865 1.00 1.59 C ATOM 293 CD GLU A 18 -24.382 4.707 -8.555 1.00 1.73 C ATOM 294 OE1 GLU A 18 -25.156 5.677 -8.456 1.00 1.86 O ATOM 295 OE2 GLU A 18 -23.312 4.764 -9.200 1.00 1.92 O ATOM 0 H GLU A 18 -22.617 1.591 -5.622 1.00 1.15 H new ATOM 0 HA GLU A 18 -22.516 4.267 -6.897 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -24.730 2.479 -5.936 1.00 1.39 H new ATOM 0 HB3 GLU A 18 -24.958 4.216 -5.892 1.00 1.39 H new ATOM 0 HG2 GLU A 18 -24.244 2.579 -8.353 1.00 1.59 H new ATOM 0 HG3 GLU A 18 -25.827 3.234 -7.980 1.00 1.59 H new ATOM 302 N PRO A 19 -22.831 5.598 -4.667 1.00 1.10 N ATOM 303 CA PRO A 19 -22.622 6.330 -3.407 1.00 1.06 C ATOM 304 C PRO A 19 -23.483 5.798 -2.264 1.00 1.10 C ATOM 305 O PRO A 19 -23.112 5.900 -1.094 1.00 1.13 O ATOM 306 CB PRO A 19 -23.021 7.769 -3.754 1.00 1.13 C ATOM 307 CG PRO A 19 -22.853 7.864 -5.228 1.00 1.32 C ATOM 308 CD PRO A 19 -23.205 6.506 -5.769 1.00 1.21 C ATOM 0 HA PRO A 19 -21.596 6.231 -3.053 1.00 1.06 H new ATOM 0 HB2 PRO A 19 -24.050 7.977 -3.459 1.00 1.13 H new ATOM 0 HB3 PRO A 19 -22.389 8.491 -3.236 1.00 1.13 H new ATOM 0 HG2 PRO A 19 -23.503 8.632 -5.647 1.00 1.32 H new ATOM 0 HG3 PRO A 19 -21.830 8.135 -5.488 1.00 1.32 H new ATOM 0 HD2 PRO A 19 -24.265 6.431 -6.011 1.00 1.21 H new ATOM 0 HD3 PRO A 19 -22.653 6.281 -6.682 1.00 1.21 H new ATOM 316 N SER A 20 -24.622 5.215 -2.611 1.00 1.16 N ATOM 317 CA SER A 20 -25.534 4.669 -1.620 1.00 1.26 C ATOM 318 C SER A 20 -25.068 3.298 -1.136 1.00 1.22 C ATOM 319 O SER A 20 -25.618 2.746 -0.182 1.00 1.29 O ATOM 320 CB SER A 20 -26.937 4.578 -2.209 1.00 1.42 C ATOM 321 OG SER A 20 -27.299 5.804 -2.826 1.00 1.50 O ATOM 0 H SER A 20 -24.936 5.109 -3.576 1.00 1.16 H new ATOM 0 HA SER A 20 -25.548 5.336 -0.758 1.00 1.26 H new ATOM 0 HB2 SER A 20 -26.979 3.770 -2.940 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.652 4.335 -1.423 1.00 1.42 H new ATOM 0 HG SER A 20 -28.201 5.728 -3.200 1.00 1.50 H new ATOM 327 N ASP A 21 -24.056 2.753 -1.800 1.00 1.13 N ATOM 328 CA ASP A 21 -23.511 1.457 -1.424 1.00 1.09 C ATOM 329 C ASP A 21 -22.549 1.628 -0.256 1.00 1.02 C ATOM 330 O ASP A 21 -21.555 2.351 -0.359 1.00 1.03 O ATOM 331 CB ASP A 21 -22.787 0.792 -2.604 1.00 1.08 C ATOM 332 CG ASP A 21 -23.712 -0.041 -3.475 1.00 1.32 C ATOM 333 OD1 ASP A 21 -24.504 -0.832 -2.919 1.00 1.46 O ATOM 334 OD2 ASP A 21 -23.638 0.079 -4.721 1.00 1.65 O ATOM 0 H ASP A 21 -23.597 3.189 -2.600 1.00 1.13 H new ATOM 0 HA ASP A 21 -24.338 0.811 -1.129 1.00 1.09 H new ATOM 0 HB2 ASP A 21 -22.317 1.562 -3.216 1.00 1.08 H new ATOM 0 HB3 ASP A 21 -21.988 0.157 -2.222 1.00 1.08 H new ATOM 339 N THR A 22 -22.865 0.996 0.862 1.00 0.97 N ATOM 340 CA THR A 22 -22.025 1.074 2.044 1.00 0.92 C ATOM 341 C THR A 22 -20.657 0.449 1.773 1.00 0.81 C ATOM 342 O THR A 22 -20.538 -0.452 0.938 1.00 0.79 O ATOM 343 CB THR A 22 -22.700 0.368 3.230 1.00 0.96 C ATOM 344 OG1 THR A 22 -23.738 -0.495 2.749 1.00 1.12 O ATOM 345 CG2 THR A 22 -23.286 1.377 4.200 1.00 1.03 C ATOM 0 H THR A 22 -23.700 0.422 0.975 1.00 0.97 H new ATOM 0 HA THR A 22 -21.885 2.126 2.294 1.00 0.92 H new ATOM 0 HB THR A 22 -21.946 -0.218 3.756 1.00 0.96 H new ATOM 0 HG1 THR A 22 -23.704 -1.348 3.231 1.00 1.12 H new ATOM 0 HG21 THR A 22 -23.758 0.852 5.030 1.00 1.03 H new ATOM 0 HG22 THR A 22 -22.492 2.019 4.581 1.00 1.03 H new ATOM 0 HG23 THR A 22 -24.030 1.986 3.686 1.00 1.03 H new ATOM 353 N ILE A 23 -19.633 0.924 2.478 1.00 0.76 N ATOM 354 CA ILE A 23 -18.273 0.423 2.300 1.00 0.66 C ATOM 355 C ILE A 23 -18.206 -1.101 2.449 1.00 0.64 C ATOM 356 O ILE A 23 -17.462 -1.766 1.724 1.00 0.58 O ATOM 357 CB ILE A 23 -17.298 1.100 3.289 1.00 0.63 C ATOM 358 CG1 ILE A 23 -17.240 2.610 3.034 1.00 0.66 C ATOM 359 CG2 ILE A 23 -15.905 0.492 3.183 1.00 0.57 C ATOM 360 CD1 ILE A 23 -16.829 2.985 1.624 1.00 0.66 C ATOM 0 H ILE A 23 -19.720 1.658 3.181 1.00 0.76 H new ATOM 0 HA ILE A 23 -17.970 0.675 1.284 1.00 0.66 H new ATOM 0 HB ILE A 23 -17.668 0.929 4.300 1.00 0.63 H new ATOM 0 HG12 ILE A 23 -18.220 3.040 3.242 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -16.539 3.060 3.737 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -15.238 0.986 3.889 1.00 0.57 H new ATOM 0 HG22 ILE A 23 -15.954 -0.572 3.413 1.00 0.57 H new ATOM 0 HG23 ILE A 23 -15.525 0.627 2.170 1.00 0.57 H new ATOM 0 HD11 ILE A 23 -16.813 4.070 1.526 1.00 0.66 H new ATOM 0 HD12 ILE A 23 -15.836 2.587 1.417 1.00 0.66 H new ATOM 0 HD13 ILE A 23 -17.543 2.568 0.914 1.00 0.66 H new ATOM 372 N GLU A 24 -18.986 -1.656 3.372 1.00 0.72 N ATOM 373 CA GLU A 24 -19.005 -3.105 3.577 1.00 0.74 C ATOM 374 C GLU A 24 -19.474 -3.824 2.313 1.00 0.74 C ATOM 375 O GLU A 24 -18.912 -4.852 1.936 1.00 0.74 O ATOM 376 CB GLU A 24 -19.884 -3.498 4.770 1.00 0.85 C ATOM 377 CG GLU A 24 -21.137 -2.649 4.944 1.00 0.98 C ATOM 378 CD GLU A 24 -22.375 -3.302 4.365 1.00 1.04 C ATOM 379 OE1 GLU A 24 -22.905 -4.243 4.988 1.00 1.16 O ATOM 380 OE2 GLU A 24 -22.829 -2.875 3.286 1.00 1.71 O ATOM 0 H GLU A 24 -19.609 -1.132 3.986 1.00 0.72 H new ATOM 0 HA GLU A 24 -17.984 -3.415 3.800 1.00 0.74 H new ATOM 0 HB2 GLU A 24 -20.181 -4.541 4.657 1.00 0.85 H new ATOM 0 HB3 GLU A 24 -19.288 -3.433 5.680 1.00 0.85 H new ATOM 0 HG2 GLU A 24 -21.296 -2.457 6.005 1.00 0.98 H new ATOM 0 HG3 GLU A 24 -20.984 -1.682 4.465 1.00 0.98 H new ATOM 387 N ASN A 25 -20.489 -3.270 1.653 1.00 0.79 N ATOM 388 CA ASN A 25 -21.020 -3.853 0.423 1.00 0.82 C ATOM 389 C ASN A 25 -19.966 -3.786 -0.676 1.00 0.74 C ATOM 390 O ASN A 25 -19.831 -4.705 -1.484 1.00 0.75 O ATOM 391 CB ASN A 25 -22.293 -3.124 -0.025 1.00 0.92 C ATOM 392 CG ASN A 25 -23.162 -3.982 -0.928 1.00 1.03 C ATOM 393 OD1 ASN A 25 -23.216 -5.202 -0.774 1.00 1.08 O ATOM 394 ND2 ASN A 25 -23.850 -3.356 -1.875 1.00 1.11 N ATOM 0 H ASN A 25 -20.961 -2.416 1.950 1.00 0.79 H new ATOM 0 HA ASN A 25 -21.275 -4.895 0.617 1.00 0.82 H new ATOM 0 HB2 ASN A 25 -22.867 -2.828 0.853 1.00 0.92 H new ATOM 0 HB3 ASN A 25 -22.019 -2.209 -0.551 1.00 0.92 H new ATOM 0 HD21 ASN A 25 -24.449 -3.888 -2.506 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -23.779 -2.343 -1.972 1.00 1.11 H new ATOM 401 N VAL A 26 -19.215 -2.690 -0.689 1.00 0.69 N ATOM 402 CA VAL A 26 -18.151 -2.503 -1.663 1.00 0.63 C ATOM 403 C VAL A 26 -17.082 -3.573 -1.464 1.00 0.57 C ATOM 404 O VAL A 26 -16.651 -4.219 -2.419 1.00 0.57 O ATOM 405 CB VAL A 26 -17.507 -1.102 -1.543 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.454 -0.895 -2.620 1.00 0.58 C ATOM 407 CG2 VAL A 26 -18.571 -0.013 -1.620 1.00 0.69 C ATOM 0 H VAL A 26 -19.326 -1.917 -0.033 1.00 0.69 H new ATOM 0 HA VAL A 26 -18.588 -2.589 -2.658 1.00 0.63 H new ATOM 0 HB VAL A 26 -17.017 -1.038 -0.571 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -16.016 0.097 -2.514 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -15.674 -1.649 -2.516 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -16.916 -0.985 -3.603 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -18.098 0.965 -1.534 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -19.092 -0.081 -2.575 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -19.285 -0.144 -0.807 1.00 0.69 H new ATOM 417 N LYS A 27 -16.689 -3.774 -0.207 1.00 0.55 N ATOM 418 CA LYS A 27 -15.686 -4.778 0.135 1.00 0.53 C ATOM 419 C LYS A 27 -16.183 -6.170 -0.244 1.00 0.57 C ATOM 420 O LYS A 27 -15.407 -7.027 -0.672 1.00 0.57 O ATOM 421 CB LYS A 27 -15.365 -4.736 1.631 1.00 0.56 C ATOM 422 CG LYS A 27 -14.880 -3.381 2.118 1.00 0.57 C ATOM 423 CD LYS A 27 -14.744 -3.355 3.635 1.00 0.60 C ATOM 424 CE LYS A 27 -13.419 -3.945 4.089 1.00 0.89 C ATOM 425 NZ LYS A 27 -13.338 -4.091 5.570 1.00 1.00 N ATOM 0 H LYS A 27 -17.051 -3.253 0.592 1.00 0.55 H new ATOM 0 HA LYS A 27 -14.778 -4.555 -0.425 1.00 0.53 H new ATOM 0 HB2 LYS A 27 -16.257 -5.015 2.192 1.00 0.56 H new ATOM 0 HB3 LYS A 27 -14.603 -5.484 1.850 1.00 0.56 H new ATOM 0 HG2 LYS A 27 -13.918 -3.151 1.660 1.00 0.57 H new ATOM 0 HG3 LYS A 27 -15.578 -2.607 1.800 1.00 0.57 H new ATOM 0 HD2 LYS A 27 -14.826 -2.328 3.991 1.00 0.60 H new ATOM 0 HD3 LYS A 27 -15.565 -3.914 4.084 1.00 0.60 H new ATOM 0 HE2 LYS A 27 -13.280 -4.920 3.623 1.00 0.89 H new ATOM 0 HE3 LYS A 27 -12.604 -3.308 3.745 1.00 0.89 H new ATOM 0 HZ1 LYS A 27 -12.344 -4.030 5.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.885 -3.332 6.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.729 -5.013 5.850 1.00 1.00 H new ATOM 439 N ALA A 28 -17.487 -6.382 -0.089 1.00 0.64 N ATOM 440 CA ALA A 28 -18.105 -7.660 -0.416 1.00 0.71 C ATOM 441 C ALA A 28 -18.053 -7.915 -1.918 1.00 0.73 C ATOM 442 O ALA A 28 -17.866 -9.048 -2.362 1.00 0.78 O ATOM 443 CB ALA A 28 -19.544 -7.695 0.083 1.00 0.77 C ATOM 0 H ALA A 28 -18.138 -5.680 0.263 1.00 0.64 H new ATOM 0 HA ALA A 28 -17.545 -8.451 0.083 1.00 0.71 H new ATOM 0 HB1 ALA A 28 -19.993 -8.656 -0.168 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -19.557 -7.560 1.165 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -20.113 -6.894 -0.390 1.00 0.77 H new ATOM 449 N LYS A 29 -18.205 -6.853 -2.696 1.00 0.72 N ATOM 450 CA LYS A 29 -18.163 -6.959 -4.149 1.00 0.76 C ATOM 451 C LYS A 29 -16.763 -7.368 -4.605 1.00 0.72 C ATOM 452 O LYS A 29 -16.604 -8.075 -5.602 1.00 0.76 O ATOM 453 CB LYS A 29 -18.573 -5.634 -4.798 1.00 0.79 C ATOM 454 CG LYS A 29 -19.004 -5.777 -6.251 1.00 1.12 C ATOM 455 CD LYS A 29 -19.751 -4.545 -6.737 1.00 1.05 C ATOM 456 CE LYS A 29 -20.306 -4.748 -8.138 1.00 1.61 C ATOM 457 NZ LYS A 29 -21.188 -3.625 -8.558 1.00 1.56 N ATOM 0 H LYS A 29 -18.359 -5.907 -2.346 1.00 0.72 H new ATOM 0 HA LYS A 29 -18.871 -7.726 -4.463 1.00 0.76 H new ATOM 0 HB2 LYS A 29 -19.391 -5.196 -4.226 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -17.737 -4.937 -4.742 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -18.127 -5.942 -6.877 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -19.641 -6.655 -6.357 1.00 1.12 H new ATOM 0 HD2 LYS A 29 -20.567 -4.318 -6.050 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -19.081 -3.685 -6.731 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -19.481 -4.844 -8.844 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -20.867 -5.682 -8.174 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -21.366 -3.687 -9.581 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 -22.091 -3.682 -8.045 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 -20.724 -2.720 -8.342 1.00 1.56 H new ATOM 471 N ILE A 30 -15.751 -6.937 -3.859 1.00 0.67 N ATOM 472 CA ILE A 30 -14.371 -7.278 -4.183 1.00 0.63 C ATOM 473 C ILE A 30 -14.119 -8.753 -3.886 1.00 0.64 C ATOM 474 O ILE A 30 -13.266 -9.390 -4.503 1.00 0.66 O ATOM 475 CB ILE A 30 -13.357 -6.415 -3.401 1.00 0.59 C ATOM 476 CG1 ILE A 30 -13.776 -4.940 -3.427 1.00 0.65 C ATOM 477 CG2 ILE A 30 -11.958 -6.579 -3.988 1.00 0.56 C ATOM 478 CD1 ILE A 30 -12.910 -4.039 -2.571 1.00 0.68 C ATOM 0 H ILE A 30 -15.860 -6.353 -3.030 1.00 0.67 H new ATOM 0 HA ILE A 30 -14.228 -7.078 -5.245 1.00 0.63 H new ATOM 0 HB ILE A 30 -13.342 -6.752 -2.365 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -13.748 -4.583 -4.456 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -14.810 -4.860 -3.090 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -11.254 -5.965 -3.427 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -11.657 -7.625 -3.925 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -11.962 -6.265 -5.032 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -13.270 -3.013 -2.643 1.00 0.68 H new ATOM 0 HD12 ILE A 30 -12.957 -4.368 -1.533 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -11.879 -4.087 -2.921 1.00 0.68 H new ATOM 490 N GLN A 31 -14.882 -9.297 -2.942 1.00 0.64 N ATOM 491 CA GLN A 31 -14.762 -10.702 -2.576 1.00 0.67 C ATOM 492 C GLN A 31 -15.288 -11.581 -3.707 1.00 0.74 C ATOM 493 O GLN A 31 -14.876 -12.728 -3.863 1.00 0.83 O ATOM 494 CB GLN A 31 -15.528 -10.999 -1.284 1.00 0.69 C ATOM 495 CG GLN A 31 -15.212 -12.365 -0.699 1.00 0.77 C ATOM 496 CD GLN A 31 -16.245 -12.822 0.307 1.00 0.88 C ATOM 497 OE1 GLN A 31 -16.888 -12.014 0.970 1.00 0.90 O ATOM 498 NE2 GLN A 31 -16.411 -14.128 0.430 1.00 1.10 N ATOM 0 H GLN A 31 -15.590 -8.784 -2.417 1.00 0.64 H new ATOM 0 HA GLN A 31 -13.708 -10.923 -2.407 1.00 0.67 H new ATOM 0 HB2 GLN A 31 -15.293 -10.232 -0.546 1.00 0.69 H new ATOM 0 HB3 GLN A 31 -16.598 -10.934 -1.481 1.00 0.69 H new ATOM 0 HG2 GLN A 31 -15.148 -13.095 -1.506 1.00 0.77 H new ATOM 0 HG3 GLN A 31 -14.233 -12.333 -0.220 1.00 0.77 H new ATOM 0 HE21 GLN A 31 -15.857 -14.768 -0.139 1.00 1.10 H new ATOM 0 HE22 GLN A 31 -17.093 -14.495 1.094 1.00 1.10 H new ATOM 507 N ASP A 32 -16.200 -11.032 -4.497 1.00 0.76 N ATOM 508 CA ASP A 32 -16.760 -11.761 -5.626 1.00 0.87 C ATOM 509 C ASP A 32 -15.795 -11.703 -6.803 1.00 0.88 C ATOM 510 O ASP A 32 -15.585 -12.695 -7.499 1.00 0.97 O ATOM 511 CB ASP A 32 -18.119 -11.185 -6.036 1.00 0.95 C ATOM 512 CG ASP A 32 -18.734 -11.933 -7.206 1.00 1.15 C ATOM 513 OD1 ASP A 32 -19.285 -13.032 -6.992 1.00 1.45 O ATOM 514 OD2 ASP A 32 -18.668 -11.425 -8.349 1.00 1.37 O ATOM 0 H ASP A 32 -16.567 -10.088 -4.378 1.00 0.76 H new ATOM 0 HA ASP A 32 -16.909 -12.798 -5.326 1.00 0.87 H new ATOM 0 HB2 ASP A 32 -18.799 -11.224 -5.185 1.00 0.95 H new ATOM 0 HB3 ASP A 32 -18.001 -10.134 -6.301 1.00 0.95 H new ATOM 519 N LYS A 33 -15.191 -10.536 -6.997 1.00 0.82 N ATOM 520 CA LYS A 33 -14.248 -10.331 -8.090 1.00 0.87 C ATOM 521 C LYS A 33 -12.889 -10.965 -7.792 1.00 0.84 C ATOM 522 O LYS A 33 -12.498 -11.938 -8.435 1.00 0.92 O ATOM 523 CB LYS A 33 -14.075 -8.835 -8.370 1.00 0.85 C ATOM 524 CG LYS A 33 -15.148 -8.256 -9.280 1.00 1.06 C ATOM 525 CD LYS A 33 -14.873 -6.798 -9.614 1.00 1.25 C ATOM 526 CE LYS A 33 -15.556 -6.392 -10.907 1.00 1.51 C ATOM 527 NZ LYS A 33 -15.247 -4.991 -11.283 1.00 1.50 N ATOM 0 H LYS A 33 -15.338 -9.715 -6.410 1.00 0.82 H new ATOM 0 HA LYS A 33 -14.660 -10.820 -8.973 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -14.083 -8.294 -7.424 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -13.098 -8.670 -8.824 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -15.197 -8.837 -10.201 1.00 1.06 H new ATOM 0 HG3 LYS A 33 -16.121 -8.342 -8.796 1.00 1.06 H new ATOM 0 HD2 LYS A 33 -15.223 -6.164 -8.800 1.00 1.25 H new ATOM 0 HD3 LYS A 33 -13.798 -6.639 -9.702 1.00 1.25 H new ATOM 0 HE2 LYS A 33 -15.241 -7.060 -11.709 1.00 1.51 H new ATOM 0 HE3 LYS A 33 -16.634 -6.509 -10.800 1.00 1.51 H new ATOM 0 HZ1 LYS A 33 -15.481 -4.841 -12.285 1.00 1.50 H new ATOM 0 HZ2 LYS A 33 -15.808 -4.342 -10.695 1.00 1.50 H new ATOM 0 HZ3 LYS A 33 -14.235 -4.806 -11.132 1.00 1.50 H new ATOM 541 N GLU A 34 -12.183 -10.424 -6.808 1.00 0.80 N ATOM 542 CA GLU A 34 -10.860 -10.925 -6.446 1.00 0.81 C ATOM 543 C GLU A 34 -10.961 -12.165 -5.565 1.00 0.83 C ATOM 544 O GLU A 34 -10.259 -13.156 -5.786 1.00 1.03 O ATOM 545 CB GLU A 34 -10.059 -9.834 -5.728 1.00 0.76 C ATOM 546 CG GLU A 34 -9.917 -8.550 -6.530 1.00 0.83 C ATOM 547 CD GLU A 34 -9.346 -8.782 -7.915 1.00 0.95 C ATOM 548 OE1 GLU A 34 -8.112 -8.938 -8.037 1.00 1.33 O ATOM 549 OE2 GLU A 34 -10.128 -8.821 -8.887 1.00 1.47 O ATOM 0 H GLU A 34 -12.503 -9.637 -6.244 1.00 0.80 H new ATOM 0 HA GLU A 34 -10.343 -11.203 -7.364 1.00 0.81 H new ATOM 0 HB2 GLU A 34 -10.543 -9.607 -4.778 1.00 0.76 H new ATOM 0 HB3 GLU A 34 -9.066 -10.218 -5.496 1.00 0.76 H new ATOM 0 HG2 GLU A 34 -10.893 -8.073 -6.620 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -9.273 -7.858 -5.988 1.00 0.83 H new ATOM 556 N GLY A 35 -11.832 -12.109 -4.570 1.00 0.73 N ATOM 557 CA GLY A 35 -12.006 -13.240 -3.678 1.00 0.76 C ATOM 558 C GLY A 35 -11.541 -12.949 -2.268 1.00 0.75 C ATOM 559 O GLY A 35 -11.495 -13.844 -1.429 1.00 0.93 O ATOM 0 H GLY A 35 -12.422 -11.303 -4.363 1.00 0.73 H new ATOM 0 HA2 GLY A 35 -13.058 -13.523 -3.658 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -11.454 -14.094 -4.069 1.00 0.76 H new ATOM 563 N ILE A 36 -11.207 -11.696 -2.006 1.00 0.64 N ATOM 564 CA ILE A 36 -10.734 -11.293 -0.689 1.00 0.63 C ATOM 565 C ILE A 36 -11.908 -10.947 0.224 1.00 0.62 C ATOM 566 O ILE A 36 -12.708 -10.068 -0.100 1.00 0.62 O ATOM 567 CB ILE A 36 -9.776 -10.084 -0.784 1.00 0.63 C ATOM 568 CG1 ILE A 36 -8.706 -10.339 -1.850 1.00 0.70 C ATOM 569 CG2 ILE A 36 -9.125 -9.808 0.565 1.00 0.68 C ATOM 570 CD1 ILE A 36 -7.871 -9.121 -2.185 1.00 0.76 C ATOM 0 H ILE A 36 -11.254 -10.939 -2.688 1.00 0.64 H new ATOM 0 HA ILE A 36 -10.188 -12.136 -0.265 1.00 0.63 H new ATOM 0 HB ILE A 36 -10.355 -9.206 -1.071 1.00 0.63 H new ATOM 0 HG12 ILE A 36 -8.047 -11.136 -1.506 1.00 0.70 H new ATOM 0 HG13 ILE A 36 -9.190 -10.696 -2.759 1.00 0.70 H new ATOM 0 HG21 ILE A 36 -8.454 -8.953 0.477 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -9.896 -9.590 1.303 1.00 0.68 H new ATOM 0 HG23 ILE A 36 -8.558 -10.683 0.881 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -7.136 -9.382 -2.947 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -8.518 -8.328 -2.561 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -7.357 -8.775 -1.289 1.00 0.76 H new ATOM 582 N PRO A 37 -12.023 -11.634 1.376 1.00 0.68 N ATOM 583 CA PRO A 37 -13.106 -11.399 2.337 1.00 0.72 C ATOM 584 C PRO A 37 -13.077 -9.980 2.905 1.00 0.66 C ATOM 585 O PRO A 37 -12.009 -9.416 3.129 1.00 0.64 O ATOM 586 CB PRO A 37 -12.845 -12.427 3.448 1.00 0.86 C ATOM 587 CG PRO A 37 -11.412 -12.804 3.303 1.00 0.91 C ATOM 588 CD PRO A 37 -11.102 -12.693 1.837 1.00 0.75 C ATOM 0 HA PRO A 37 -14.086 -11.503 1.872 1.00 0.72 H new ATOM 0 HB2 PRO A 37 -13.043 -12.002 4.432 1.00 0.86 H new ATOM 0 HB3 PRO A 37 -13.494 -13.296 3.340 1.00 0.86 H new ATOM 0 HG2 PRO A 37 -10.773 -12.143 3.888 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -11.237 -13.818 3.663 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -10.060 -12.423 1.665 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -11.278 -13.634 1.316 1.00 0.75 H new ATOM 596 N PRO A 38 -14.256 -9.396 3.174 1.00 0.68 N ATOM 597 CA PRO A 38 -14.373 -8.029 3.705 1.00 0.65 C ATOM 598 C PRO A 38 -13.893 -7.896 5.152 1.00 0.65 C ATOM 599 O PRO A 38 -13.940 -6.808 5.732 1.00 0.70 O ATOM 600 CB PRO A 38 -15.874 -7.745 3.618 1.00 0.71 C ATOM 601 CG PRO A 38 -16.515 -9.086 3.684 1.00 0.79 C ATOM 602 CD PRO A 38 -15.577 -10.025 2.980 1.00 0.78 C ATOM 0 HA PRO A 38 -13.749 -7.332 3.145 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -16.205 -7.107 4.438 1.00 0.71 H new ATOM 0 HB3 PRO A 38 -16.127 -7.230 2.691 1.00 0.71 H new ATOM 0 HG2 PRO A 38 -16.673 -9.393 4.718 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -17.493 -9.076 3.202 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -15.613 -11.026 3.410 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -15.824 -10.123 1.923 1.00 0.78 H new ATOM 610 N ASP A 39 -13.432 -9.000 5.724 1.00 0.68 N ATOM 611 CA ASP A 39 -12.944 -9.008 7.097 1.00 0.74 C ATOM 612 C ASP A 39 -11.514 -8.479 7.174 1.00 0.82 C ATOM 613 O ASP A 39 -11.273 -7.385 7.676 1.00 0.99 O ATOM 614 CB ASP A 39 -13.005 -10.424 7.673 1.00 0.80 C ATOM 615 CG ASP A 39 -14.200 -10.643 8.579 1.00 1.51 C ATOM 616 OD1 ASP A 39 -15.300 -10.921 8.062 1.00 1.85 O ATOM 617 OD2 ASP A 39 -14.040 -10.552 9.814 1.00 2.52 O ATOM 0 H ASP A 39 -13.386 -9.905 5.256 1.00 0.68 H new ATOM 0 HA ASP A 39 -13.586 -8.353 7.686 1.00 0.74 H new ATOM 0 HB2 ASP A 39 -13.040 -11.142 6.854 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -12.091 -10.623 8.232 1.00 0.80 H new ATOM 622 N GLN A 40 -10.574 -9.261 6.651 1.00 0.87 N ATOM 623 CA GLN A 40 -9.160 -8.896 6.667 1.00 1.00 C ATOM 624 C GLN A 40 -8.851 -7.800 5.649 1.00 0.98 C ATOM 625 O GLN A 40 -7.823 -7.133 5.738 1.00 1.24 O ATOM 626 CB GLN A 40 -8.291 -10.127 6.378 1.00 1.14 C ATOM 627 CG GLN A 40 -8.311 -11.178 7.483 1.00 1.29 C ATOM 628 CD GLN A 40 -9.610 -11.958 7.540 1.00 1.35 C ATOM 629 OE1 GLN A 40 -10.292 -12.132 6.527 1.00 1.73 O ATOM 630 NE2 GLN A 40 -9.964 -12.433 8.722 1.00 1.64 N ATOM 0 H GLN A 40 -10.768 -10.159 6.207 1.00 0.87 H new ATOM 0 HA GLN A 40 -8.931 -8.512 7.661 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -8.628 -10.586 5.449 1.00 1.14 H new ATOM 0 HB3 GLN A 40 -7.263 -9.803 6.218 1.00 1.14 H new ATOM 0 HG2 GLN A 40 -7.484 -11.872 7.331 1.00 1.29 H new ATOM 0 HG3 GLN A 40 -8.145 -10.690 8.443 1.00 1.29 H new ATOM 0 HE21 GLN A 40 -9.372 -12.267 9.536 1.00 1.64 H new ATOM 0 HE22 GLN A 40 -10.829 -12.965 8.820 1.00 1.64 H new ATOM 639 N GLN A 41 -9.740 -7.626 4.684 1.00 0.78 N ATOM 640 CA GLN A 41 -9.564 -6.614 3.652 1.00 0.81 C ATOM 641 C GLN A 41 -9.645 -5.210 4.249 1.00 0.67 C ATOM 642 O GLN A 41 -10.669 -4.827 4.818 1.00 0.78 O ATOM 643 CB GLN A 41 -10.637 -6.790 2.580 1.00 0.89 C ATOM 644 CG GLN A 41 -10.426 -5.938 1.343 1.00 0.95 C ATOM 645 CD GLN A 41 -11.235 -6.426 0.155 1.00 0.83 C ATOM 646 OE1 GLN A 41 -10.853 -6.218 -0.990 1.00 1.44 O ATOM 647 NE2 GLN A 41 -12.352 -7.087 0.423 1.00 0.79 N ATOM 0 H GLN A 41 -10.595 -8.175 4.593 1.00 0.78 H new ATOM 0 HA GLN A 41 -8.578 -6.736 3.205 1.00 0.81 H new ATOM 0 HB2 GLN A 41 -10.670 -7.838 2.284 1.00 0.89 H new ATOM 0 HB3 GLN A 41 -11.609 -6.550 3.012 1.00 0.89 H new ATOM 0 HG2 GLN A 41 -10.700 -4.907 1.565 1.00 0.95 H new ATOM 0 HG3 GLN A 41 -9.368 -5.938 1.082 1.00 0.95 H new ATOM 0 HE21 GLN A 41 -12.635 -7.239 1.391 1.00 0.79 H new ATOM 0 HE22 GLN A 41 -12.929 -7.444 -0.339 1.00 0.79 H new ATOM 656 N ARG A 42 -8.564 -4.450 4.126 1.00 0.56 N ATOM 657 CA ARG A 42 -8.521 -3.096 4.657 1.00 0.56 C ATOM 658 C ARG A 42 -8.308 -2.084 3.535 1.00 0.50 C ATOM 659 O ARG A 42 -7.488 -2.297 2.640 1.00 0.52 O ATOM 660 CB ARG A 42 -7.408 -2.977 5.703 1.00 0.77 C ATOM 661 CG ARG A 42 -7.681 -1.928 6.769 1.00 0.95 C ATOM 662 CD ARG A 42 -6.839 -2.166 8.011 1.00 1.24 C ATOM 663 NE ARG A 42 -7.287 -1.347 9.138 1.00 1.62 N ATOM 664 CZ ARG A 42 -7.591 -1.830 10.344 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.463 -3.126 10.607 1.00 2.48 N ATOM 666 NH2 ARG A 42 -8.024 -1.010 11.291 1.00 2.87 N ATOM 0 H ARG A 42 -7.706 -4.749 3.663 1.00 0.56 H new ATOM 0 HA ARG A 42 -9.477 -2.879 5.134 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -7.270 -3.945 6.185 1.00 0.77 H new ATOM 0 HB3 ARG A 42 -6.472 -2.735 5.199 1.00 0.77 H new ATOM 0 HG2 ARG A 42 -7.469 -0.937 6.369 1.00 0.95 H new ATOM 0 HG3 ARG A 42 -8.738 -1.945 7.036 1.00 0.95 H new ATOM 0 HD2 ARG A 42 -6.887 -3.220 8.286 1.00 1.24 H new ATOM 0 HD3 ARG A 42 -5.795 -1.941 7.791 1.00 1.24 H new ATOM 0 HE ARG A 42 -7.372 -0.341 8.992 1.00 1.62 H new ATOM 0 HH11 ARG A 42 -7.129 -3.763 9.883 1.00 2.48 H new ATOM 0 HH12 ARG A 42 -7.698 -3.484 11.533 1.00 2.48 H new ATOM 0 HH21 ARG A 42 -8.124 -0.014 11.096 1.00 2.87 H new ATOM 0 HH22 ARG A 42 -8.257 -1.375 12.214 1.00 2.87 H new ATOM 680 N LEU A 43 -9.053 -0.987 3.583 1.00 0.50 N ATOM 681 CA LEU A 43 -8.954 0.058 2.570 1.00 0.46 C ATOM 682 C LEU A 43 -8.554 1.384 3.201 1.00 0.49 C ATOM 683 O LEU A 43 -9.207 1.860 4.133 1.00 0.51 O ATOM 684 CB LEU A 43 -10.288 0.215 1.836 1.00 0.43 C ATOM 685 CG LEU A 43 -10.638 -0.919 0.872 1.00 0.45 C ATOM 686 CD1 LEU A 43 -12.116 -0.881 0.518 1.00 0.46 C ATOM 687 CD2 LEU A 43 -9.792 -0.825 -0.390 1.00 0.50 C ATOM 0 H LEU A 43 -9.736 -0.797 4.316 1.00 0.50 H new ATOM 0 HA LEU A 43 -8.185 -0.235 1.855 1.00 0.46 H new ATOM 0 HB2 LEU A 43 -11.084 0.300 2.576 1.00 0.43 H new ATOM 0 HB3 LEU A 43 -10.270 1.152 1.279 1.00 0.43 H new ATOM 0 HG LEU A 43 -10.423 -1.867 1.366 1.00 0.45 H new ATOM 0 HD11 LEU A 43 -12.347 -1.695 -0.169 1.00 0.46 H new ATOM 0 HD12 LEU A 43 -12.710 -0.992 1.425 1.00 0.46 H new ATOM 0 HD13 LEU A 43 -12.352 0.072 0.044 1.00 0.46 H new ATOM 0 HD21 LEU A 43 -10.054 -1.640 -1.065 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -9.979 0.129 -0.883 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -8.737 -0.897 -0.127 1.00 0.50 H new ATOM 699 N ILE A 44 -7.478 1.970 2.697 1.00 0.52 N ATOM 700 CA ILE A 44 -6.994 3.244 3.206 1.00 0.57 C ATOM 701 C ILE A 44 -6.992 4.298 2.103 1.00 0.53 C ATOM 702 O ILE A 44 -6.553 4.040 0.979 1.00 0.52 O ATOM 703 CB ILE A 44 -5.573 3.120 3.807 1.00 0.65 C ATOM 704 CG1 ILE A 44 -5.571 2.129 4.974 1.00 0.78 C ATOM 705 CG2 ILE A 44 -5.066 4.481 4.266 1.00 0.73 C ATOM 706 CD1 ILE A 44 -4.228 1.998 5.661 1.00 0.92 C ATOM 0 H ILE A 44 -6.923 1.582 1.934 1.00 0.52 H new ATOM 0 HA ILE A 44 -7.675 3.551 4.000 1.00 0.57 H new ATOM 0 HB ILE A 44 -4.903 2.746 3.033 1.00 0.65 H new ATOM 0 HG12 ILE A 44 -6.314 2.443 5.707 1.00 0.78 H new ATOM 0 HG13 ILE A 44 -5.878 1.150 4.608 1.00 0.78 H new ATOM 0 HG21 ILE A 44 -4.066 4.374 4.686 1.00 0.73 H new ATOM 0 HG22 ILE A 44 -5.032 5.162 3.416 1.00 0.73 H new ATOM 0 HG23 ILE A 44 -5.737 4.882 5.026 1.00 0.73 H new ATOM 0 HD11 ILE A 44 -4.305 1.279 6.477 1.00 0.92 H new ATOM 0 HD12 ILE A 44 -3.484 1.654 4.943 1.00 0.92 H new ATOM 0 HD13 ILE A 44 -3.927 2.967 6.059 1.00 0.92 H new ATOM 718 N PHE A 45 -7.504 5.476 2.430 1.00 0.55 N ATOM 719 CA PHE A 45 -7.560 6.585 1.495 1.00 0.57 C ATOM 720 C PHE A 45 -6.786 7.770 2.065 1.00 0.61 C ATOM 721 O PHE A 45 -7.214 8.374 3.051 1.00 0.67 O ATOM 722 CB PHE A 45 -9.012 6.982 1.220 1.00 0.61 C ATOM 723 CG PHE A 45 -9.170 7.979 0.106 1.00 0.68 C ATOM 724 CD1 PHE A 45 -9.211 7.557 -1.214 1.00 0.76 C ATOM 725 CD2 PHE A 45 -9.281 9.333 0.377 1.00 0.83 C ATOM 726 CE1 PHE A 45 -9.358 8.468 -2.243 1.00 0.87 C ATOM 727 CE2 PHE A 45 -9.428 10.250 -0.648 1.00 0.93 C ATOM 728 CZ PHE A 45 -9.470 9.816 -1.961 1.00 0.90 C ATOM 0 H PHE A 45 -7.891 5.687 3.350 1.00 0.55 H new ATOM 0 HA PHE A 45 -7.107 6.279 0.552 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -9.583 6.086 0.977 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -9.443 7.398 2.131 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -9.127 6.504 -1.441 1.00 0.76 H new ATOM 0 HD2 PHE A 45 -9.252 9.677 1.400 1.00 0.83 H new ATOM 0 HE1 PHE A 45 -9.385 8.126 -3.267 1.00 0.87 H new ATOM 0 HE2 PHE A 45 -9.510 11.303 -0.424 1.00 0.93 H new ATOM 0 HZ PHE A 45 -9.590 10.529 -2.763 1.00 0.90 H new ATOM 738 N ALA A 46 -5.640 8.071 1.447 1.00 0.68 N ATOM 739 CA ALA A 46 -4.766 9.179 1.862 1.00 0.81 C ATOM 740 C ALA A 46 -4.159 8.937 3.247 1.00 0.80 C ATOM 741 O ALA A 46 -2.973 8.646 3.374 1.00 1.25 O ATOM 742 CB ALA A 46 -5.508 10.509 1.821 1.00 0.91 C ATOM 0 H ALA A 46 -5.289 7.553 0.642 1.00 0.68 H new ATOM 0 HA ALA A 46 -3.944 9.225 1.148 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -4.837 11.310 2.133 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -5.855 10.701 0.806 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -6.363 10.469 2.495 1.00 0.91 H new ATOM 748 N GLY A 47 -4.976 9.071 4.278 1.00 0.91 N ATOM 749 CA GLY A 47 -4.509 8.860 5.633 1.00 0.94 C ATOM 750 C GLY A 47 -5.629 8.418 6.548 1.00 0.96 C ATOM 751 O GLY A 47 -5.491 8.436 7.771 1.00 1.23 O ATOM 0 H GLY A 47 -5.961 9.324 4.201 1.00 0.91 H new ATOM 0 HA2 GLY A 47 -3.720 8.107 5.633 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -4.070 9.782 6.014 1.00 0.94 H new ATOM 755 N LYS A 48 -6.737 8.003 5.954 1.00 0.77 N ATOM 756 CA LYS A 48 -7.893 7.568 6.716 1.00 0.83 C ATOM 757 C LYS A 48 -8.372 6.205 6.242 1.00 0.71 C ATOM 758 O LYS A 48 -8.315 5.900 5.049 1.00 0.65 O ATOM 759 CB LYS A 48 -9.023 8.590 6.573 1.00 0.96 C ATOM 760 CG LYS A 48 -9.461 9.207 7.889 1.00 1.43 C ATOM 761 CD LYS A 48 -8.365 10.067 8.505 1.00 1.89 C ATOM 762 CE LYS A 48 -8.151 9.722 9.970 1.00 2.45 C ATOM 763 NZ LYS A 48 -7.334 10.745 10.676 1.00 3.10 N ATOM 0 H LYS A 48 -6.858 7.959 4.942 1.00 0.77 H new ATOM 0 HA LYS A 48 -7.604 7.488 7.764 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -8.699 9.384 5.900 1.00 0.96 H new ATOM 0 HB3 LYS A 48 -9.881 8.106 6.106 1.00 0.96 H new ATOM 0 HG2 LYS A 48 -10.351 9.815 7.727 1.00 1.43 H new ATOM 0 HG3 LYS A 48 -9.737 8.416 8.587 1.00 1.43 H new ATOM 0 HD2 LYS A 48 -7.435 9.923 7.956 1.00 1.89 H new ATOM 0 HD3 LYS A 48 -8.630 11.120 8.412 1.00 1.89 H new ATOM 0 HE2 LYS A 48 -9.118 9.628 10.464 1.00 2.45 H new ATOM 0 HE3 LYS A 48 -7.659 8.752 10.045 1.00 2.45 H new ATOM 0 HZ1 LYS A 48 -7.215 10.468 11.671 1.00 3.10 H new ATOM 0 HZ2 LYS A 48 -6.401 10.818 10.222 1.00 3.10 H new ATOM 0 HZ3 LYS A 48 -7.815 11.666 10.629 1.00 3.10 H new ATOM 777 N GLN A 49 -8.826 5.380 7.175 1.00 0.76 N ATOM 778 CA GLN A 49 -9.332 4.061 6.835 1.00 0.69 C ATOM 779 C GLN A 49 -10.831 4.152 6.573 1.00 0.66 C ATOM 780 O GLN A 49 -11.538 4.916 7.239 1.00 0.79 O ATOM 781 CB GLN A 49 -9.036 3.053 7.953 1.00 0.81 C ATOM 782 CG GLN A 49 -9.522 3.489 9.325 1.00 1.02 C ATOM 783 CD GLN A 49 -9.452 2.375 10.352 1.00 1.26 C ATOM 784 OE1 GLN A 49 -8.636 1.456 10.240 1.00 1.53 O ATOM 785 NE2 GLN A 49 -10.308 2.448 11.360 1.00 1.76 N ATOM 0 H GLN A 49 -8.854 5.601 8.170 1.00 0.76 H new ATOM 0 HA GLN A 49 -8.829 3.708 5.935 1.00 0.69 H new ATOM 0 HB2 GLN A 49 -9.501 2.100 7.701 1.00 0.81 H new ATOM 0 HB3 GLN A 49 -7.961 2.881 7.998 1.00 0.81 H new ATOM 0 HG2 GLN A 49 -8.922 4.332 9.668 1.00 1.02 H new ATOM 0 HG3 GLN A 49 -10.551 3.841 9.247 1.00 1.02 H new ATOM 0 HE21 GLN A 49 -10.966 3.225 11.415 1.00 1.76 H new ATOM 0 HE22 GLN A 49 -10.309 1.727 12.082 1.00 1.76 H new ATOM 794 N LEU A 50 -11.308 3.397 5.595 1.00 0.54 N ATOM 795 CA LEU A 50 -12.722 3.415 5.244 1.00 0.55 C ATOM 796 C LEU A 50 -13.529 2.520 6.176 1.00 0.60 C ATOM 797 O LEU A 50 -13.362 1.298 6.180 1.00 0.60 O ATOM 798 CB LEU A 50 -12.925 2.975 3.792 1.00 0.50 C ATOM 799 CG LEU A 50 -12.137 3.774 2.751 1.00 0.47 C ATOM 800 CD1 LEU A 50 -12.453 3.271 1.355 1.00 0.46 C ATOM 801 CD2 LEU A 50 -12.441 5.263 2.859 1.00 0.51 C ATOM 0 H LEU A 50 -10.739 2.765 5.031 1.00 0.54 H new ATOM 0 HA LEU A 50 -13.078 4.439 5.355 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -12.648 1.924 3.706 1.00 0.50 H new ATOM 0 HB3 LEU A 50 -13.986 3.045 3.553 1.00 0.50 H new ATOM 0 HG LEU A 50 -11.074 3.631 2.946 1.00 0.47 H new ATOM 0 HD11 LEU A 50 -11.886 3.847 0.624 1.00 0.46 H new ATOM 0 HD12 LEU A 50 -12.181 2.218 1.277 1.00 0.46 H new ATOM 0 HD13 LEU A 50 -13.519 3.385 1.160 1.00 0.46 H new ATOM 0 HD21 LEU A 50 -11.868 5.807 2.108 1.00 0.51 H new ATOM 0 HD22 LEU A 50 -13.505 5.430 2.694 1.00 0.51 H new ATOM 0 HD23 LEU A 50 -12.167 5.619 3.852 1.00 0.51 H new ATOM 813 N GLU A 51 -14.383 3.142 6.975 1.00 0.70 N ATOM 814 CA GLU A 51 -15.233 2.417 7.906 1.00 0.78 C ATOM 815 C GLU A 51 -16.422 1.810 7.169 1.00 0.76 C ATOM 816 O GLU A 51 -16.981 2.428 6.261 1.00 0.77 O ATOM 817 CB GLU A 51 -15.736 3.348 9.008 1.00 0.91 C ATOM 818 CG GLU A 51 -14.630 4.047 9.781 1.00 0.97 C ATOM 819 CD GLU A 51 -15.148 4.733 11.023 1.00 1.13 C ATOM 820 OE1 GLU A 51 -15.812 5.785 10.894 1.00 1.41 O ATOM 821 OE2 GLU A 51 -14.912 4.216 12.131 1.00 1.68 O ATOM 0 H GLU A 51 -14.506 4.154 6.996 1.00 0.70 H new ATOM 0 HA GLU A 51 -14.644 1.619 8.358 1.00 0.78 H new ATOM 0 HB2 GLU A 51 -16.386 4.101 8.564 1.00 0.91 H new ATOM 0 HB3 GLU A 51 -16.345 2.773 9.706 1.00 0.91 H new ATOM 0 HG2 GLU A 51 -13.869 3.319 10.061 1.00 0.97 H new ATOM 0 HG3 GLU A 51 -14.147 4.782 9.137 1.00 0.97 H new ATOM 828 N ASP A 52 -16.824 0.613 7.576 1.00 0.79 N ATOM 829 CA ASP A 52 -17.942 -0.075 6.941 1.00 0.81 C ATOM 830 C ASP A 52 -19.272 0.608 7.257 1.00 0.89 C ATOM 831 O ASP A 52 -20.244 0.453 6.518 1.00 0.95 O ATOM 832 CB ASP A 52 -17.986 -1.549 7.363 1.00 0.90 C ATOM 833 CG ASP A 52 -18.290 -1.740 8.835 1.00 1.29 C ATOM 834 OD1 ASP A 52 -17.340 -1.736 9.645 1.00 1.69 O ATOM 835 OD2 ASP A 52 -19.474 -1.911 9.187 1.00 1.74 O ATOM 0 H ASP A 52 -16.393 0.098 8.343 1.00 0.79 H new ATOM 0 HA ASP A 52 -17.787 -0.025 5.863 1.00 0.81 H new ATOM 0 HB2 ASP A 52 -18.742 -2.067 6.772 1.00 0.90 H new ATOM 0 HB3 ASP A 52 -17.028 -2.015 7.133 1.00 0.90 H new ATOM 840 N GLY A 53 -19.297 1.388 8.332 1.00 0.95 N ATOM 841 CA GLY A 53 -20.512 2.082 8.721 1.00 1.05 C ATOM 842 C GLY A 53 -20.710 3.387 7.974 1.00 1.07 C ATOM 843 O GLY A 53 -21.586 4.184 8.319 1.00 1.28 O ATOM 0 H GLY A 53 -18.497 1.553 8.942 1.00 0.95 H new ATOM 0 HA2 GLY A 53 -21.369 1.433 8.542 1.00 1.05 H new ATOM 0 HA3 GLY A 53 -20.483 2.283 9.792 1.00 1.05 H new ATOM 847 N ARG A 54 -19.898 3.613 6.951 1.00 0.96 N ATOM 848 CA ARG A 54 -19.990 4.825 6.160 1.00 0.99 C ATOM 849 C ARG A 54 -20.201 4.488 4.689 1.00 0.95 C ATOM 850 O ARG A 54 -20.145 3.321 4.290 1.00 0.90 O ATOM 851 CB ARG A 54 -18.730 5.672 6.331 1.00 0.99 C ATOM 852 CG ARG A 54 -18.498 6.135 7.761 1.00 1.14 C ATOM 853 CD ARG A 54 -17.289 7.045 7.849 1.00 1.26 C ATOM 854 NE ARG A 54 -17.016 7.482 9.217 1.00 1.42 N ATOM 855 CZ ARG A 54 -17.280 8.703 9.678 1.00 1.73 C ATOM 856 NH1 ARG A 54 -17.859 9.609 8.895 1.00 1.94 N ATOM 857 NH2 ARG A 54 -16.965 9.018 10.931 1.00 1.92 N ATOM 0 H ARG A 54 -19.167 2.968 6.651 1.00 0.96 H new ATOM 0 HA ARG A 54 -20.847 5.399 6.512 1.00 0.99 H new ATOM 0 HB2 ARG A 54 -17.867 5.095 6.000 1.00 0.99 H new ATOM 0 HB3 ARG A 54 -18.798 6.545 5.682 1.00 0.99 H new ATOM 0 HG2 ARG A 54 -19.381 6.661 8.124 1.00 1.14 H new ATOM 0 HG3 ARG A 54 -18.354 5.270 8.408 1.00 1.14 H new ATOM 0 HD2 ARG A 54 -16.416 6.523 7.457 1.00 1.26 H new ATOM 0 HD3 ARG A 54 -17.449 7.919 7.217 1.00 1.26 H new ATOM 0 HE ARG A 54 -16.597 6.809 9.859 1.00 1.42 H new ATOM 0 HH11 ARG A 54 -18.104 9.371 7.934 1.00 1.94 H new ATOM 0 HH12 ARG A 54 -18.058 10.542 9.256 1.00 1.94 H new ATOM 0 HH21 ARG A 54 -16.523 8.325 11.535 1.00 1.92 H new ATOM 0 HH22 ARG A 54 -17.166 9.952 11.288 1.00 1.92 H new ATOM 871 N THR A 55 -20.450 5.508 3.888 1.00 0.99 N ATOM 872 CA THR A 55 -20.672 5.325 2.466 1.00 1.00 C ATOM 873 C THR A 55 -19.624 6.089 1.666 1.00 0.95 C ATOM 874 O THR A 55 -18.823 6.832 2.235 1.00 0.93 O ATOM 875 CB THR A 55 -22.074 5.818 2.064 1.00 1.11 C ATOM 876 OG1 THR A 55 -22.434 6.964 2.853 1.00 1.31 O ATOM 877 CG2 THR A 55 -23.113 4.725 2.253 1.00 1.07 C ATOM 0 H THR A 55 -20.504 6.477 4.201 1.00 0.99 H new ATOM 0 HA THR A 55 -20.593 4.260 2.248 1.00 1.00 H new ATOM 0 HB THR A 55 -22.048 6.091 1.009 1.00 1.11 H new ATOM 0 HG1 THR A 55 -23.326 7.274 2.591 1.00 1.31 H new ATOM 0 HG21 THR A 55 -24.094 5.101 1.961 1.00 1.07 H new ATOM 0 HG22 THR A 55 -22.855 3.866 1.633 1.00 1.07 H new ATOM 0 HG23 THR A 55 -23.137 4.423 3.300 1.00 1.07 H new ATOM 885 N LEU A 56 -19.627 5.907 0.353 1.00 0.98 N ATOM 886 CA LEU A 56 -18.680 6.599 -0.514 1.00 0.95 C ATOM 887 C LEU A 56 -18.940 8.103 -0.496 1.00 0.96 C ATOM 888 O LEU A 56 -18.014 8.912 -0.569 1.00 0.95 O ATOM 889 CB LEU A 56 -18.789 6.060 -1.941 1.00 1.02 C ATOM 890 CG LEU A 56 -18.581 4.550 -2.080 1.00 1.06 C ATOM 891 CD1 LEU A 56 -19.135 4.058 -3.406 1.00 1.39 C ATOM 892 CD2 LEU A 56 -17.103 4.198 -1.964 1.00 0.84 C ATOM 0 H LEU A 56 -20.273 5.287 -0.136 1.00 0.98 H new ATOM 0 HA LEU A 56 -17.671 6.420 -0.144 1.00 0.95 H new ATOM 0 HB2 LEU A 56 -19.773 6.314 -2.335 1.00 1.02 H new ATOM 0 HB3 LEU A 56 -18.055 6.571 -2.564 1.00 1.02 H new ATOM 0 HG LEU A 56 -19.119 4.055 -1.271 1.00 1.06 H new ATOM 0 HD11 LEU A 56 -18.979 2.982 -3.489 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -20.202 4.275 -3.458 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -18.622 4.563 -4.224 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -16.977 3.120 -2.065 1.00 0.84 H new ATOM 0 HD22 LEU A 56 -16.545 4.705 -2.752 1.00 0.84 H new ATOM 0 HD23 LEU A 56 -16.728 4.517 -0.992 1.00 0.84 H new ATOM 904 N SER A 57 -20.209 8.469 -0.379 1.00 1.01 N ATOM 905 CA SER A 57 -20.604 9.866 -0.345 1.00 1.06 C ATOM 906 C SER A 57 -20.274 10.487 1.009 1.00 1.03 C ATOM 907 O SER A 57 -20.070 11.691 1.116 1.00 1.06 O ATOM 908 CB SER A 57 -22.097 9.969 -0.637 1.00 1.15 C ATOM 909 OG SER A 57 -22.732 8.723 -0.394 1.00 1.11 O ATOM 0 H SER A 57 -20.985 7.811 -0.306 1.00 1.01 H new ATOM 0 HA SER A 57 -20.049 10.417 -1.105 1.00 1.06 H new ATOM 0 HB2 SER A 57 -22.545 10.741 -0.012 1.00 1.15 H new ATOM 0 HB3 SER A 57 -22.252 10.268 -1.674 1.00 1.15 H new ATOM 0 HG SER A 57 -23.690 8.802 -0.583 1.00 1.11 H new ATOM 915 N ASP A 58 -20.197 9.645 2.037 1.00 1.00 N ATOM 916 CA ASP A 58 -19.897 10.105 3.393 1.00 0.99 C ATOM 917 C ASP A 58 -18.501 10.707 3.453 1.00 0.96 C ATOM 918 O ASP A 58 -18.285 11.750 4.068 1.00 1.03 O ATOM 919 CB ASP A 58 -20.014 8.943 4.385 1.00 1.03 C ATOM 920 CG ASP A 58 -19.796 9.368 5.824 1.00 1.13 C ATOM 921 OD1 ASP A 58 -20.778 9.767 6.480 1.00 1.81 O ATOM 922 OD2 ASP A 58 -18.649 9.291 6.310 1.00 1.23 O ATOM 0 H ASP A 58 -20.338 8.638 1.957 1.00 1.00 H new ATOM 0 HA ASP A 58 -20.620 10.874 3.666 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -21.001 8.491 4.291 1.00 1.03 H new ATOM 0 HB3 ASP A 58 -19.285 8.175 4.124 1.00 1.03 H new ATOM 927 N TYR A 59 -17.560 10.052 2.782 1.00 0.88 N ATOM 928 CA TYR A 59 -16.179 10.514 2.743 1.00 0.87 C ATOM 929 C TYR A 59 -15.994 11.588 1.676 1.00 0.91 C ATOM 930 O TYR A 59 -14.910 12.158 1.546 1.00 0.95 O ATOM 931 CB TYR A 59 -15.232 9.345 2.460 1.00 0.83 C ATOM 932 CG TYR A 59 -15.008 8.434 3.641 1.00 0.82 C ATOM 933 CD1 TYR A 59 -14.137 8.793 4.660 1.00 0.94 C ATOM 934 CD2 TYR A 59 -15.668 7.216 3.737 1.00 0.90 C ATOM 935 CE1 TYR A 59 -13.929 7.962 5.742 1.00 1.07 C ATOM 936 CE2 TYR A 59 -15.465 6.381 4.816 1.00 1.03 C ATOM 937 CZ TYR A 59 -14.597 6.760 5.816 1.00 1.09 C ATOM 938 OH TYR A 59 -14.401 5.933 6.895 1.00 1.31 O ATOM 0 H TYR A 59 -17.731 9.195 2.255 1.00 0.88 H new ATOM 0 HA TYR A 59 -15.943 10.942 3.717 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -15.633 8.759 1.633 1.00 0.83 H new ATOM 0 HB3 TYR A 59 -14.271 9.741 2.133 1.00 0.83 H new ATOM 0 HD1 TYR A 59 -13.614 9.737 4.605 1.00 0.94 H new ATOM 0 HD2 TYR A 59 -16.351 6.918 2.955 1.00 0.90 H new ATOM 0 HE1 TYR A 59 -13.246 8.253 6.526 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -15.984 5.436 4.876 1.00 1.03 H new ATOM 0 HH TYR A 59 -13.442 5.771 7.013 1.00 1.31 H new ATOM 948 N ASN A 60 -17.059 11.843 0.911 1.00 0.95 N ATOM 949 CA ASN A 60 -17.037 12.839 -0.161 1.00 1.02 C ATOM 950 C ASN A 60 -15.927 12.515 -1.159 1.00 0.96 C ATOM 951 O ASN A 60 -15.151 13.383 -1.568 1.00 1.00 O ATOM 952 CB ASN A 60 -16.867 14.250 0.423 1.00 1.15 C ATOM 953 CG ASN A 60 -17.180 15.347 -0.579 1.00 1.19 C ATOM 954 OD1 ASN A 60 -16.276 15.959 -1.150 1.00 1.24 O ATOM 955 ND2 ASN A 60 -18.461 15.604 -0.808 1.00 1.44 N ATOM 0 H ASN A 60 -17.955 11.367 1.017 1.00 0.95 H new ATOM 0 HA ASN A 60 -17.988 12.809 -0.692 1.00 1.02 H new ATOM 0 HB2 ASN A 60 -17.519 14.360 1.290 1.00 1.15 H new ATOM 0 HB3 ASN A 60 -15.843 14.370 0.777 1.00 1.15 H new ATOM 0 HD21 ASN A 60 -18.724 16.329 -1.476 1.00 1.44 H new ATOM 0 HD22 ASN A 60 -19.183 15.077 -0.317 1.00 1.44 H new ATOM 962 N ILE A 61 -15.862 11.251 -1.546 1.00 0.88 N ATOM 963 CA ILE A 61 -14.854 10.784 -2.484 1.00 0.85 C ATOM 964 C ILE A 61 -15.173 11.252 -3.899 1.00 0.99 C ATOM 965 O ILE A 61 -16.321 11.190 -4.339 1.00 1.14 O ATOM 966 CB ILE A 61 -14.744 9.244 -2.468 1.00 0.77 C ATOM 967 CG1 ILE A 61 -14.672 8.732 -1.029 1.00 0.75 C ATOM 968 CG2 ILE A 61 -13.527 8.782 -3.257 1.00 0.81 C ATOM 969 CD1 ILE A 61 -14.752 7.224 -0.910 1.00 0.75 C ATOM 0 H ILE A 61 -16.501 10.525 -1.222 1.00 0.88 H new ATOM 0 HA ILE A 61 -13.900 11.208 -2.171 1.00 0.85 H new ATOM 0 HB ILE A 61 -15.635 8.832 -2.942 1.00 0.77 H new ATOM 0 HG12 ILE A 61 -13.740 9.073 -0.578 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -15.485 9.176 -0.455 1.00 0.75 H new ATOM 0 HG21 ILE A 61 -13.469 7.694 -3.232 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -13.615 9.117 -4.290 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -12.625 9.203 -2.814 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -14.694 6.938 0.140 1.00 0.75 H new ATOM 0 HD12 ILE A 61 -15.696 6.875 -1.330 1.00 0.75 H new ATOM 0 HD13 ILE A 61 -13.924 6.772 -1.455 1.00 0.75 H new ATOM 981 N GLN A 62 -14.154 11.732 -4.598 1.00 1.02 N ATOM 982 CA GLN A 62 -14.315 12.208 -5.965 1.00 1.19 C ATOM 983 C GLN A 62 -14.137 11.059 -6.954 1.00 0.99 C ATOM 984 O GLN A 62 -13.737 9.956 -6.576 1.00 0.93 O ATOM 985 CB GLN A 62 -13.305 13.323 -6.267 1.00 1.46 C ATOM 986 CG GLN A 62 -13.950 14.661 -6.607 1.00 1.94 C ATOM 987 CD GLN A 62 -14.777 14.603 -7.875 1.00 1.99 C ATOM 988 OE1 GLN A 62 -15.965 14.269 -7.846 1.00 2.30 O ATOM 989 NE2 GLN A 62 -14.159 14.932 -8.996 1.00 2.35 N ATOM 0 H GLN A 62 -13.202 11.802 -4.239 1.00 1.02 H new ATOM 0 HA GLN A 62 -15.323 12.610 -6.072 1.00 1.19 H new ATOM 0 HB2 GLN A 62 -12.653 13.454 -5.403 1.00 1.46 H new ATOM 0 HB3 GLN A 62 -12.673 13.013 -7.099 1.00 1.46 H new ATOM 0 HG2 GLN A 62 -14.584 14.976 -5.778 1.00 1.94 H new ATOM 0 HG3 GLN A 62 -13.173 15.417 -6.719 1.00 1.94 H new ATOM 0 HE21 GLN A 62 -13.176 15.202 -8.976 1.00 2.35 H new ATOM 0 HE22 GLN A 62 -14.665 14.916 -9.881 1.00 2.35 H new ATOM 998 N LYS A 63 -14.441 11.319 -8.220 1.00 1.00 N ATOM 999 CA LYS A 63 -14.312 10.309 -9.262 1.00 0.98 C ATOM 1000 C LYS A 63 -12.837 10.017 -9.551 1.00 0.88 C ATOM 1001 O LYS A 63 -11.967 10.846 -9.255 1.00 0.95 O ATOM 1002 CB LYS A 63 -15.028 10.762 -10.538 1.00 1.20 C ATOM 1003 CG LYS A 63 -14.419 12.001 -11.176 1.00 1.20 C ATOM 1004 CD LYS A 63 -15.159 12.393 -12.447 1.00 1.48 C ATOM 1005 CE LYS A 63 -14.344 13.365 -13.289 1.00 1.48 C ATOM 1006 NZ LYS A 63 -15.091 13.831 -14.487 1.00 2.15 N ATOM 0 H LYS A 63 -14.779 12.223 -8.550 1.00 1.00 H new ATOM 0 HA LYS A 63 -14.781 9.390 -8.909 1.00 0.98 H new ATOM 0 HB2 LYS A 63 -15.012 9.947 -11.261 1.00 1.20 H new ATOM 0 HB3 LYS A 63 -16.074 10.961 -10.305 1.00 1.20 H new ATOM 0 HG2 LYS A 63 -14.447 12.828 -10.467 1.00 1.20 H new ATOM 0 HG3 LYS A 63 -13.370 11.815 -11.407 1.00 1.20 H new ATOM 0 HD2 LYS A 63 -15.379 11.500 -13.031 1.00 1.48 H new ATOM 0 HD3 LYS A 63 -16.115 12.848 -12.187 1.00 1.48 H new ATOM 0 HE2 LYS A 63 -14.064 14.225 -12.680 1.00 1.48 H new ATOM 0 HE3 LYS A 63 -13.419 12.883 -13.604 1.00 1.48 H new ATOM 0 HZ1 LYS A 63 -14.499 14.491 -15.031 1.00 2.15 H new ATOM 0 HZ2 LYS A 63 -15.336 13.014 -15.083 1.00 2.15 H new ATOM 0 HZ3 LYS A 63 -15.961 14.315 -14.187 1.00 2.15 H new ATOM 1020 N GLU A 64 -12.572 8.839 -10.119 1.00 0.94 N ATOM 1021 CA GLU A 64 -11.209 8.410 -10.447 1.00 1.00 C ATOM 1022 C GLU A 64 -10.303 8.497 -9.218 1.00 0.85 C ATOM 1023 O GLU A 64 -9.174 8.987 -9.295 1.00 0.96 O ATOM 1024 CB GLU A 64 -10.630 9.257 -11.586 1.00 1.26 C ATOM 1025 CG GLU A 64 -11.199 8.921 -12.955 1.00 1.51 C ATOM 1026 CD GLU A 64 -12.384 9.787 -13.328 1.00 1.67 C ATOM 1027 OE1 GLU A 64 -12.197 11.005 -13.538 1.00 2.05 O ATOM 1028 OE2 GLU A 64 -13.505 9.251 -13.432 1.00 1.88 O ATOM 0 H GLU A 64 -13.291 8.158 -10.364 1.00 0.94 H new ATOM 0 HA GLU A 64 -11.256 7.371 -10.774 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -10.817 10.310 -11.374 1.00 1.26 H new ATOM 0 HB3 GLU A 64 -9.548 9.124 -11.611 1.00 1.26 H new ATOM 0 HG2 GLU A 64 -10.418 9.039 -13.706 1.00 1.51 H new ATOM 0 HG3 GLU A 64 -11.501 7.874 -12.971 1.00 1.51 H new ATOM 1035 N SER A 65 -10.807 8.015 -8.091 1.00 0.78 N ATOM 1036 CA SER A 65 -10.074 8.049 -6.836 1.00 0.83 C ATOM 1037 C SER A 65 -9.082 6.891 -6.730 1.00 0.73 C ATOM 1038 O SER A 65 -9.331 5.796 -7.240 1.00 0.73 O ATOM 1039 CB SER A 65 -11.068 7.998 -5.681 1.00 1.02 C ATOM 1040 OG SER A 65 -12.369 7.706 -6.164 1.00 1.05 O ATOM 0 H SER A 65 -11.732 7.591 -8.022 1.00 0.78 H new ATOM 0 HA SER A 65 -9.498 8.974 -6.795 1.00 0.83 H new ATOM 0 HB2 SER A 65 -10.761 7.239 -4.961 1.00 1.02 H new ATOM 0 HB3 SER A 65 -11.074 8.953 -5.155 1.00 1.02 H new ATOM 0 HG SER A 65 -12.759 8.512 -6.562 1.00 1.05 H new ATOM 1046 N THR A 66 -7.958 7.150 -6.076 1.00 0.74 N ATOM 1047 CA THR A 66 -6.929 6.141 -5.884 1.00 0.70 C ATOM 1048 C THR A 66 -6.993 5.572 -4.468 1.00 0.61 C ATOM 1049 O THR A 66 -6.772 6.289 -3.490 1.00 0.65 O ATOM 1050 CB THR A 66 -5.529 6.735 -6.126 1.00 0.82 C ATOM 1051 OG1 THR A 66 -5.631 7.892 -6.975 1.00 1.03 O ATOM 1052 CG2 THR A 66 -4.609 5.704 -6.770 1.00 1.01 C ATOM 0 H THR A 66 -7.736 8.058 -5.667 1.00 0.74 H new ATOM 0 HA THR A 66 -7.109 5.343 -6.604 1.00 0.70 H new ATOM 0 HB THR A 66 -5.106 7.025 -5.164 1.00 0.82 H new ATOM 0 HG1 THR A 66 -4.738 8.268 -7.125 1.00 1.03 H new ATOM 0 HG21 THR A 66 -3.625 6.145 -6.932 1.00 1.01 H new ATOM 0 HG22 THR A 66 -4.515 4.839 -6.113 1.00 1.01 H new ATOM 0 HG23 THR A 66 -5.028 5.390 -7.726 1.00 1.01 H new ATOM 1060 N LEU A 67 -7.304 4.289 -4.359 1.00 0.56 N ATOM 1061 CA LEU A 67 -7.401 3.634 -3.061 1.00 0.52 C ATOM 1062 C LEU A 67 -6.253 2.650 -2.872 1.00 0.51 C ATOM 1063 O LEU A 67 -5.692 2.147 -3.846 1.00 0.58 O ATOM 1064 CB LEU A 67 -8.739 2.898 -2.923 1.00 0.51 C ATOM 1065 CG LEU A 67 -9.910 3.741 -2.408 1.00 0.61 C ATOM 1066 CD1 LEU A 67 -10.366 4.741 -3.460 1.00 0.64 C ATOM 1067 CD2 LEU A 67 -11.065 2.842 -1.998 1.00 0.69 C ATOM 0 H LEU A 67 -7.494 3.679 -5.154 1.00 0.56 H new ATOM 0 HA LEU A 67 -7.341 4.403 -2.291 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -9.010 2.489 -3.896 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -8.600 2.052 -2.249 1.00 0.51 H new ATOM 0 HG LEU A 67 -9.570 4.299 -1.535 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -11.198 5.327 -3.069 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -9.540 5.407 -3.711 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -10.687 4.207 -4.355 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -11.891 3.454 -1.634 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -11.396 2.260 -2.858 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -10.738 2.167 -1.207 1.00 0.69 H new ATOM 1079 N HIS A 68 -5.898 2.383 -1.623 1.00 0.51 N ATOM 1080 CA HIS A 68 -4.823 1.447 -1.323 1.00 0.57 C ATOM 1081 C HIS A 68 -5.354 0.260 -0.536 1.00 0.49 C ATOM 1082 O HIS A 68 -5.941 0.428 0.536 1.00 0.44 O ATOM 1083 CB HIS A 68 -3.698 2.136 -0.543 1.00 0.68 C ATOM 1084 CG HIS A 68 -2.522 2.498 -1.398 1.00 0.93 C ATOM 1085 ND1 HIS A 68 -1.229 2.108 -1.114 1.00 1.16 N ATOM 1086 CD2 HIS A 68 -2.456 3.212 -2.544 1.00 1.50 C ATOM 1087 CE1 HIS A 68 -0.422 2.572 -2.051 1.00 1.40 C ATOM 1088 NE2 HIS A 68 -1.143 3.242 -2.931 1.00 1.66 N ATOM 0 H HIS A 68 -6.337 2.800 -0.802 1.00 0.51 H new ATOM 0 HA HIS A 68 -4.416 1.088 -2.268 1.00 0.57 H new ATOM 0 HB2 HIS A 68 -4.090 3.039 -0.074 1.00 0.68 H new ATOM 0 HB3 HIS A 68 -3.366 1.478 0.260 1.00 0.68 H new ATOM 0 HD1 HIS A 68 -0.942 1.551 -0.309 1.00 1.16 H new ATOM 0 HD2 HIS A 68 -3.286 3.673 -3.059 1.00 1.50 H new ATOM 0 HE1 HIS A 68 0.648 2.428 -2.091 1.00 1.40 H new ATOM 0 HE2 HIS A 68 -0.781 3.706 -3.764 1.00 1.66 H new ATOM 1097 N LEU A 69 -5.162 -0.932 -1.079 1.00 0.54 N ATOM 1098 CA LEU A 69 -5.618 -2.153 -0.427 1.00 0.52 C ATOM 1099 C LEU A 69 -4.549 -2.689 0.518 1.00 0.61 C ATOM 1100 O LEU A 69 -3.462 -3.077 0.087 1.00 0.72 O ATOM 1101 CB LEU A 69 -5.969 -3.219 -1.466 1.00 0.59 C ATOM 1102 CG LEU A 69 -6.777 -4.402 -0.931 1.00 0.61 C ATOM 1103 CD1 LEU A 69 -8.230 -4.004 -0.732 1.00 0.55 C ATOM 1104 CD2 LEU A 69 -6.671 -5.590 -1.869 1.00 0.84 C ATOM 0 H LEU A 69 -4.692 -1.082 -1.972 1.00 0.54 H new ATOM 0 HA LEU A 69 -6.511 -1.913 0.150 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -6.533 -2.748 -2.271 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -5.045 -3.597 -1.903 1.00 0.59 H new ATOM 0 HG LEU A 69 -6.364 -4.693 0.035 1.00 0.61 H new ATOM 0 HD11 LEU A 69 -8.792 -4.857 -0.351 1.00 0.55 H new ATOM 0 HD12 LEU A 69 -8.288 -3.183 -0.018 1.00 0.55 H new ATOM 0 HD13 LEU A 69 -8.654 -3.687 -1.685 1.00 0.55 H new ATOM 0 HD21 LEU A 69 -7.253 -6.421 -1.471 1.00 0.84 H new ATOM 0 HD22 LEU A 69 -7.057 -5.314 -2.850 1.00 0.84 H new ATOM 0 HD23 LEU A 69 -5.627 -5.889 -1.961 1.00 0.84 H new ATOM 1116 N VAL A 70 -4.860 -2.696 1.800 1.00 0.64 N ATOM 1117 CA VAL A 70 -3.939 -3.180 2.819 1.00 0.79 C ATOM 1118 C VAL A 70 -4.475 -4.478 3.411 1.00 0.76 C ATOM 1119 O VAL A 70 -5.665 -4.777 3.277 1.00 0.70 O ATOM 1120 CB VAL A 70 -3.739 -2.136 3.943 1.00 0.92 C ATOM 1121 CG1 VAL A 70 -2.430 -2.368 4.679 1.00 1.24 C ATOM 1122 CG2 VAL A 70 -3.790 -0.723 3.382 1.00 1.10 C ATOM 0 H VAL A 70 -5.754 -2.368 2.167 1.00 0.64 H new ATOM 0 HA VAL A 70 -2.971 -3.356 2.349 1.00 0.79 H new ATOM 0 HB VAL A 70 -4.555 -2.254 4.656 1.00 0.92 H new ATOM 0 HG11 VAL A 70 -2.316 -1.620 5.463 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -2.434 -3.363 5.125 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -1.599 -2.288 3.978 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -3.647 -0.005 4.190 1.00 1.10 H new ATOM 0 HG22 VAL A 70 -3.001 -0.597 2.641 1.00 1.10 H new ATOM 0 HG23 VAL A 70 -4.759 -0.553 2.913 1.00 1.10 H new ATOM 1132 N LEU A 71 -3.614 -5.251 4.053 1.00 0.84 N ATOM 1133 CA LEU A 71 -4.035 -6.510 4.639 1.00 0.85 C ATOM 1134 C LEU A 71 -4.207 -6.382 6.150 1.00 0.87 C ATOM 1135 O LEU A 71 -5.198 -5.833 6.628 1.00 1.21 O ATOM 1136 CB LEU A 71 -3.033 -7.625 4.312 1.00 0.95 C ATOM 1137 CG LEU A 71 -2.995 -8.073 2.848 1.00 1.24 C ATOM 1138 CD1 LEU A 71 -1.941 -7.294 2.074 1.00 1.62 C ATOM 1139 CD2 LEU A 71 -2.728 -9.570 2.760 1.00 1.37 C ATOM 0 H LEU A 71 -2.626 -5.030 4.180 1.00 0.84 H new ATOM 0 HA LEU A 71 -5.000 -6.771 4.205 1.00 0.85 H new ATOM 0 HB2 LEU A 71 -2.036 -7.288 4.596 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -3.265 -8.491 4.932 1.00 0.95 H new ATOM 0 HG LEU A 71 -3.967 -7.867 2.399 1.00 1.24 H new ATOM 0 HD11 LEU A 71 -1.931 -7.628 1.036 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.175 -6.230 2.111 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -0.961 -7.465 2.520 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -2.704 -9.874 1.714 1.00 1.37 H new ATOM 0 HD22 LEU A 71 -1.769 -9.797 3.226 1.00 1.37 H new ATOM 0 HD23 LEU A 71 -3.520 -10.112 3.277 1.00 1.37 H new ATOM 1151 N ARG A 72 -3.227 -6.870 6.897 1.00 1.17 N ATOM 1152 CA ARG A 72 -3.282 -6.835 8.349 1.00 1.21 C ATOM 1153 C ARG A 72 -1.890 -7.005 8.938 1.00 1.35 C ATOM 1154 O ARG A 72 -1.174 -7.941 8.589 1.00 1.52 O ATOM 1155 CB ARG A 72 -4.204 -7.944 8.872 1.00 1.30 C ATOM 1156 CG ARG A 72 -4.013 -9.272 8.159 1.00 1.46 C ATOM 1157 CD ARG A 72 -4.889 -10.360 8.754 1.00 1.36 C ATOM 1158 NE ARG A 72 -4.202 -11.108 9.810 1.00 1.51 N ATOM 1159 CZ ARG A 72 -4.407 -12.398 10.054 1.00 1.68 C ATOM 1160 NH1 ARG A 72 -5.232 -13.102 9.291 1.00 1.84 N ATOM 1161 NH2 ARG A 72 -3.766 -12.996 11.047 1.00 1.99 N ATOM 0 H ARG A 72 -2.381 -7.296 6.518 1.00 1.17 H new ATOM 0 HA ARG A 72 -3.679 -5.867 8.654 1.00 1.21 H new ATOM 0 HB2 ARG A 72 -4.025 -8.083 9.938 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -5.241 -7.627 8.762 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -4.247 -9.154 7.101 1.00 1.46 H new ATOM 0 HG3 ARG A 72 -2.967 -9.572 8.222 1.00 1.46 H new ATOM 0 HD2 ARG A 72 -5.796 -9.912 9.160 1.00 1.36 H new ATOM 0 HD3 ARG A 72 -5.197 -11.047 7.966 1.00 1.36 H new ATOM 0 HE ARG A 72 -3.528 -10.610 10.391 1.00 1.51 H new ATOM 0 HH11 ARG A 72 -5.713 -12.654 8.512 1.00 1.84 H new ATOM 0 HH12 ARG A 72 -5.385 -14.092 9.484 1.00 1.84 H new ATOM 0 HH21 ARG A 72 -3.114 -12.466 11.626 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -3.924 -13.986 11.233 1.00 1.99 H new ATOM 1175 N LEU A 73 -1.518 -6.094 9.829 1.00 1.36 N ATOM 1176 CA LEU A 73 -0.214 -6.139 10.473 1.00 1.55 C ATOM 1177 C LEU A 73 -0.055 -7.437 11.261 1.00 1.62 C ATOM 1178 O LEU A 73 0.912 -8.179 11.077 1.00 1.83 O ATOM 1179 CB LEU A 73 -0.041 -4.929 11.398 1.00 1.60 C ATOM 1180 CG LEU A 73 1.337 -4.798 12.050 1.00 1.89 C ATOM 1181 CD1 LEU A 73 2.408 -4.574 10.993 1.00 2.09 C ATOM 1182 CD2 LEU A 73 1.341 -3.667 13.065 1.00 1.97 C ATOM 0 H LEU A 73 -2.105 -5.313 10.122 1.00 1.36 H new ATOM 0 HA LEU A 73 0.558 -6.105 9.704 1.00 1.55 H new ATOM 0 HB2 LEU A 73 -0.242 -4.023 10.826 1.00 1.60 H new ATOM 0 HB3 LEU A 73 -0.794 -4.983 12.185 1.00 1.60 H new ATOM 0 HG LEU A 73 1.561 -5.728 12.573 1.00 1.89 H new ATOM 0 HD11 LEU A 73 3.381 -4.483 11.475 1.00 2.09 H new ATOM 0 HD12 LEU A 73 2.422 -5.419 10.304 1.00 2.09 H new ATOM 0 HD13 LEU A 73 2.189 -3.660 10.442 1.00 2.09 H new ATOM 0 HD21 LEU A 73 2.329 -3.589 13.519 1.00 1.97 H new ATOM 0 HD22 LEU A 73 1.095 -2.730 12.566 1.00 1.97 H new ATOM 0 HD23 LEU A 73 0.601 -3.870 13.839 1.00 1.97 H new ATOM 1194 N ARG A 74 -1.020 -7.715 12.126 1.00 1.51 N ATOM 1195 CA ARG A 74 -0.998 -8.929 12.929 1.00 1.62 C ATOM 1196 C ARG A 74 -2.285 -9.724 12.724 1.00 1.56 C ATOM 1197 O ARG A 74 -2.338 -10.632 11.895 1.00 1.63 O ATOM 1198 CB ARG A 74 -0.796 -8.594 14.412 1.00 1.72 C ATOM 1199 CG ARG A 74 0.601 -8.083 14.727 1.00 1.87 C ATOM 1200 CD ARG A 74 0.777 -7.809 16.210 1.00 2.28 C ATOM 1201 NE ARG A 74 2.090 -7.236 16.501 1.00 2.26 N ATOM 1202 CZ ARG A 74 2.284 -5.985 16.929 1.00 2.65 C ATOM 1203 NH1 ARG A 74 1.253 -5.162 17.109 1.00 3.32 N ATOM 1204 NH2 ARG A 74 3.515 -5.557 17.168 1.00 2.70 N ATOM 0 H ARG A 74 -1.829 -7.115 12.290 1.00 1.51 H new ATOM 0 HA ARG A 74 -0.158 -9.543 12.604 1.00 1.62 H new ATOM 0 HB2 ARG A 74 -1.527 -7.842 14.711 1.00 1.72 H new ATOM 0 HB3 ARG A 74 -0.993 -9.485 15.009 1.00 1.72 H new ATOM 0 HG2 ARG A 74 1.339 -8.817 14.402 1.00 1.87 H new ATOM 0 HG3 ARG A 74 0.790 -7.170 14.163 1.00 1.87 H new ATOM 0 HD2 ARG A 74 -0.002 -7.126 16.549 1.00 2.28 H new ATOM 0 HD3 ARG A 74 0.653 -8.736 16.769 1.00 2.28 H new ATOM 0 HE ARG A 74 2.910 -7.828 16.369 1.00 2.26 H new ATOM 0 HH11 ARG A 74 0.304 -5.484 16.920 1.00 3.32 H new ATOM 0 HH12 ARG A 74 1.412 -4.209 17.436 1.00 3.32 H new ATOM 0 HH21 ARG A 74 4.309 -6.181 17.025 1.00 2.70 H new ATOM 0 HH22 ARG A 74 3.669 -4.603 17.495 1.00 2.70 H new ATOM 1218 N GLY A 75 -3.327 -9.361 13.453 1.00 1.69 N ATOM 1219 CA GLY A 75 -4.589 -10.056 13.325 1.00 1.67 C ATOM 1220 C GLY A 75 -5.521 -9.761 14.476 1.00 1.77 C ATOM 1221 O GLY A 75 -6.251 -8.771 14.448 1.00 2.16 O ATOM 0 H GLY A 75 -3.322 -8.598 14.130 1.00 1.69 H new ATOM 0 HA2 GLY A 75 -5.067 -9.768 12.389 1.00 1.67 H new ATOM 0 HA3 GLY A 75 -4.407 -11.129 13.273 1.00 1.67 H new ATOM 1225 N GLY A 76 -5.485 -10.608 15.490 1.00 1.73 N ATOM 1226 CA GLY A 76 -6.339 -10.423 16.641 1.00 1.91 C ATOM 1227 C GLY A 76 -5.612 -10.713 17.932 1.00 2.25 C ATOM 1228 O GLY A 76 -4.598 -11.444 17.894 1.00 2.51 O ATOM 1229 OXT GLY A 76 -6.053 -10.225 18.991 1.00 2.58 O ATOM 0 H GLY A 76 -4.876 -11.425 15.536 1.00 1.73 H new ATOM 0 HA2 GLY A 76 -6.712 -9.399 16.656 1.00 1.91 H new ATOM 0 HA3 GLY A 76 -7.207 -11.077 16.558 1.00 1.91 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 31.656 -2.691 2.514 1.00 7.89 N ATOM 1235 CA ALA B 49 30.363 -3.178 1.985 1.00 7.38 C ATOM 1236 C ALA B 49 30.194 -2.757 0.532 1.00 6.19 C ATOM 1237 O ALA B 49 31.082 -2.122 -0.038 1.00 6.01 O ATOM 1238 CB ALA B 49 29.211 -2.649 2.824 1.00 8.29 C ATOM 0 HA ALA B 49 30.357 -4.267 2.036 1.00 7.38 H new ATOM 0 HB1 ALA B 49 28.268 -3.017 2.420 1.00 8.29 H new ATOM 0 HB2 ALA B 49 29.323 -2.991 3.853 1.00 8.29 H new ATOM 0 HB3 ALA B 49 29.215 -1.559 2.801 1.00 8.29 H new ATOM 1246 N ASN B 50 29.048 -3.116 -0.055 1.00 5.55 N ATOM 1247 CA ASN B 50 28.736 -2.783 -1.447 1.00 4.48 C ATOM 1248 C ASN B 50 29.725 -3.458 -2.389 1.00 4.51 C ATOM 1249 O ASN B 50 30.585 -2.801 -2.985 1.00 3.94 O ATOM 1250 CB ASN B 50 28.744 -1.266 -1.674 1.00 3.80 C ATOM 1251 CG ASN B 50 27.437 -0.747 -2.248 1.00 3.32 C ATOM 1252 OD1 ASN B 50 26.672 -1.489 -2.868 1.00 3.27 O ATOM 1253 ND2 ASN B 50 27.182 0.536 -2.053 1.00 3.32 N ATOM 0 H ASN B 50 28.314 -3.643 0.419 1.00 5.55 H new ATOM 0 HA ASN B 50 27.733 -3.152 -1.660 1.00 4.48 H new ATOM 0 HB2 ASN B 50 28.944 -0.763 -0.728 1.00 3.80 H new ATOM 0 HB3 ASN B 50 29.559 -1.009 -2.350 1.00 3.80 H new ATOM 0 HD21 ASN B 50 26.325 0.947 -2.422 1.00 3.32 H new ATOM 0 HD22 ASN B 50 27.843 1.114 -1.534 1.00 3.32 H new ATOM 1260 N GLN B 51 29.609 -4.774 -2.505 1.00 5.34 N ATOM 1261 CA GLN B 51 30.495 -5.551 -3.365 1.00 5.73 C ATOM 1262 C GLN B 51 30.109 -5.382 -4.827 1.00 5.61 C ATOM 1263 O GLN B 51 30.962 -5.399 -5.713 1.00 5.77 O ATOM 1264 CB GLN B 51 30.458 -7.033 -2.978 1.00 6.81 C ATOM 1265 CG GLN B 51 31.045 -7.322 -1.604 1.00 7.14 C ATOM 1266 CD GLN B 51 32.555 -7.154 -1.552 1.00 7.49 C ATOM 1267 OE1 GLN B 51 33.129 -6.326 -2.258 1.00 7.06 O ATOM 1268 NE2 GLN B 51 33.207 -7.942 -0.713 1.00 8.42 N ATOM 0 H GLN B 51 28.908 -5.328 -2.013 1.00 5.34 H new ATOM 0 HA GLN B 51 31.511 -5.180 -3.229 1.00 5.73 H new ATOM 0 HB2 GLN B 51 29.425 -7.380 -3.002 1.00 6.81 H new ATOM 0 HB3 GLN B 51 31.005 -7.608 -3.725 1.00 6.81 H new ATOM 0 HG2 GLN B 51 30.586 -6.657 -0.873 1.00 7.14 H new ATOM 0 HG3 GLN B 51 30.789 -8.341 -1.313 1.00 7.14 H new ATOM 0 HE21 GLN B 51 32.695 -8.616 -0.144 1.00 8.42 H new ATOM 0 HE22 GLN B 51 34.222 -7.875 -0.635 1.00 8.42 H new ATOM 1277 N GLN B 52 28.819 -5.206 -5.069 1.00 5.47 N ATOM 1278 CA GLN B 52 28.309 -5.029 -6.415 1.00 5.44 C ATOM 1279 C GLN B 52 27.480 -3.753 -6.492 1.00 4.52 C ATOM 1280 O GLN B 52 26.278 -3.754 -6.215 1.00 4.10 O ATOM 1281 CB GLN B 52 27.469 -6.242 -6.833 1.00 6.26 C ATOM 1282 CG GLN B 52 27.011 -6.191 -8.283 1.00 6.28 C ATOM 1283 CD GLN B 52 25.982 -7.254 -8.622 1.00 6.34 C ATOM 1284 OE1 GLN B 52 25.068 -7.018 -9.412 1.00 5.83 O ATOM 1285 NE2 GLN B 52 26.125 -8.434 -8.044 1.00 7.08 N ATOM 0 H GLN B 52 28.103 -5.182 -4.343 1.00 5.47 H new ATOM 0 HA GLN B 52 29.150 -4.943 -7.103 1.00 5.44 H new ATOM 0 HB2 GLN B 52 28.052 -7.149 -6.676 1.00 6.26 H new ATOM 0 HB3 GLN B 52 26.594 -6.309 -6.186 1.00 6.26 H new ATOM 0 HG2 GLN B 52 26.590 -5.207 -8.490 1.00 6.28 H new ATOM 0 HG3 GLN B 52 27.876 -6.311 -8.935 1.00 6.28 H new ATOM 0 HE21 GLN B 52 26.895 -8.594 -7.394 1.00 7.08 H new ATOM 0 HE22 GLN B 52 25.466 -9.185 -8.248 1.00 7.08 H new ATOM 1294 N THR B 53 28.133 -2.660 -6.850 1.00 4.33 N ATOM 1295 CA THR B 53 27.471 -1.370 -6.958 1.00 3.53 C ATOM 1296 C THR B 53 26.777 -1.223 -8.312 1.00 3.27 C ATOM 1297 O THR B 53 27.088 -0.323 -9.095 1.00 3.29 O ATOM 1298 CB THR B 53 28.482 -0.224 -6.767 1.00 3.67 C ATOM 1299 OG1 THR B 53 29.663 -0.725 -6.114 1.00 4.47 O ATOM 1300 CG2 THR B 53 27.880 0.905 -5.938 1.00 3.04 C ATOM 0 H THR B 53 29.128 -2.641 -7.072 1.00 4.33 H new ATOM 0 HA THR B 53 26.718 -1.316 -6.171 1.00 3.53 H new ATOM 0 HB THR B 53 28.742 0.171 -7.749 1.00 3.67 H new ATOM 0 HG1 THR B 53 30.306 0.005 -5.995 1.00 4.47 H new ATOM 0 HG21 THR B 53 28.615 1.701 -5.819 1.00 3.04 H new ATOM 0 HG22 THR B 53 26.999 1.298 -6.445 1.00 3.04 H new ATOM 0 HG23 THR B 53 27.595 0.524 -4.957 1.00 3.04 H new ATOM 1308 N SER B 54 25.835 -2.113 -8.584 1.00 3.19 N ATOM 1309 CA SER B 54 25.104 -2.089 -9.837 1.00 2.94 C ATOM 1310 C SER B 54 23.766 -1.364 -9.680 1.00 1.98 C ATOM 1311 O SER B 54 23.667 -0.162 -9.935 1.00 1.51 O ATOM 1312 CB SER B 54 24.875 -3.518 -10.324 1.00 3.63 C ATOM 1313 OG SER B 54 24.487 -4.353 -9.246 1.00 4.57 O ATOM 0 H SER B 54 25.560 -2.863 -7.950 1.00 3.19 H new ATOM 0 HA SER B 54 25.696 -1.545 -10.573 1.00 2.94 H new ATOM 0 HB2 SER B 54 24.104 -3.527 -11.095 1.00 3.63 H new ATOM 0 HB3 SER B 54 25.787 -3.903 -10.781 1.00 3.63 H new ATOM 0 HG SER B 54 24.651 -5.290 -9.482 1.00 4.57 H new ATOM 1319 N GLY B 55 22.752 -2.099 -9.236 1.00 2.06 N ATOM 1320 CA GLY B 55 21.435 -1.524 -9.060 1.00 1.62 C ATOM 1321 C GLY B 55 21.264 -0.860 -7.710 1.00 1.24 C ATOM 1322 O GLY B 55 20.789 -1.481 -6.761 1.00 1.38 O ATOM 0 H GLY B 55 22.822 -3.088 -8.994 1.00 2.06 H new ATOM 0 HA2 GLY B 55 21.255 -0.791 -9.846 1.00 1.62 H new ATOM 0 HA3 GLY B 55 20.684 -2.305 -9.174 1.00 1.62 H new ATOM 1326 N LYS B 56 21.679 0.393 -7.620 1.00 0.94 N ATOM 1327 CA LYS B 56 21.554 1.163 -6.391 1.00 0.68 C ATOM 1328 C LYS B 56 20.644 2.355 -6.650 1.00 0.61 C ATOM 1329 O LYS B 56 20.861 3.114 -7.599 1.00 0.68 O ATOM 1330 CB LYS B 56 22.927 1.631 -5.897 1.00 0.81 C ATOM 1331 CG LYS B 56 23.924 0.497 -5.696 1.00 1.31 C ATOM 1332 CD LYS B 56 23.574 -0.366 -4.492 1.00 0.93 C ATOM 1333 CE LYS B 56 23.878 -1.835 -4.748 1.00 1.34 C ATOM 1334 NZ LYS B 56 24.192 -2.570 -3.493 1.00 1.52 N ATOM 0 H LYS B 56 22.110 0.903 -8.391 1.00 0.94 H new ATOM 0 HA LYS B 56 21.122 0.534 -5.613 1.00 0.68 H new ATOM 0 HB2 LYS B 56 23.338 2.342 -6.614 1.00 0.81 H new ATOM 0 HB3 LYS B 56 22.802 2.164 -4.955 1.00 0.81 H new ATOM 0 HG2 LYS B 56 23.951 -0.124 -6.591 1.00 1.31 H new ATOM 0 HG3 LYS B 56 24.923 0.912 -5.566 1.00 1.31 H new ATOM 0 HD2 LYS B 56 24.136 -0.024 -3.623 1.00 0.93 H new ATOM 0 HD3 LYS B 56 22.517 -0.249 -4.255 1.00 0.93 H new ATOM 0 HE2 LYS B 56 23.023 -2.302 -5.236 1.00 1.34 H new ATOM 0 HE3 LYS B 56 24.720 -1.916 -5.435 1.00 1.34 H new ATOM 0 HZ1 LYS B 56 23.979 -3.580 -3.620 1.00 1.52 H new ATOM 0 HZ2 LYS B 56 25.200 -2.454 -3.266 1.00 1.52 H new ATOM 0 HZ3 LYS B 56 23.616 -2.190 -2.715 1.00 1.52 H new ATOM 1348 N VAL B 57 19.624 2.517 -5.824 1.00 0.56 N ATOM 1349 CA VAL B 57 18.676 3.607 -6.005 1.00 0.53 C ATOM 1350 C VAL B 57 18.960 4.764 -5.051 1.00 0.53 C ATOM 1351 O VAL B 57 19.391 4.562 -3.914 1.00 0.57 O ATOM 1352 CB VAL B 57 17.218 3.134 -5.822 1.00 0.49 C ATOM 1353 CG1 VAL B 57 16.254 4.077 -6.527 1.00 0.57 C ATOM 1354 CG2 VAL B 57 17.040 1.712 -6.336 1.00 0.54 C ATOM 0 H VAL B 57 19.430 1.912 -5.026 1.00 0.56 H new ATOM 0 HA VAL B 57 18.803 3.958 -7.029 1.00 0.53 H new ATOM 0 HB VAL B 57 16.993 3.143 -4.756 1.00 0.49 H new ATOM 0 HG11 VAL B 57 15.232 3.725 -6.385 1.00 0.57 H new ATOM 0 HG12 VAL B 57 16.354 5.079 -6.109 1.00 0.57 H new ATOM 0 HG13 VAL B 57 16.484 4.103 -7.592 1.00 0.57 H new ATOM 0 HG21 VAL B 57 16.005 1.401 -6.196 1.00 0.54 H new ATOM 0 HG22 VAL B 57 17.290 1.674 -7.396 1.00 0.54 H new ATOM 0 HG23 VAL B 57 17.698 1.041 -5.784 1.00 0.54 H new ATOM 1364 N LEU B 58 18.717 5.975 -5.536 1.00 0.64 N ATOM 1365 CA LEU B 58 18.940 7.189 -4.763 1.00 0.67 C ATOM 1366 C LEU B 58 17.614 7.782 -4.289 1.00 0.67 C ATOM 1367 O LEU B 58 16.608 7.733 -4.999 1.00 0.97 O ATOM 1368 CB LEU B 58 19.703 8.211 -5.616 1.00 0.85 C ATOM 1369 CG LEU B 58 19.956 9.568 -4.955 1.00 0.87 C ATOM 1370 CD1 LEU B 58 21.448 9.833 -4.842 1.00 1.04 C ATOM 1371 CD2 LEU B 58 19.271 10.676 -5.740 1.00 1.26 C ATOM 0 H LEU B 58 18.360 6.143 -6.477 1.00 0.64 H new ATOM 0 HA LEU B 58 19.533 6.939 -3.883 1.00 0.67 H new ATOM 0 HB2 LEU B 58 20.664 7.779 -5.896 1.00 0.85 H new ATOM 0 HB3 LEU B 58 19.146 8.375 -6.539 1.00 0.85 H new ATOM 0 HG LEU B 58 19.535 9.549 -3.950 1.00 0.87 H new ATOM 0 HD11 LEU B 58 21.611 10.802 -4.370 1.00 1.04 H new ATOM 0 HD12 LEU B 58 21.911 9.053 -4.238 1.00 1.04 H new ATOM 0 HD13 LEU B 58 21.894 9.835 -5.837 1.00 1.04 H new ATOM 0 HD21 LEU B 58 19.460 11.635 -5.257 1.00 1.26 H new ATOM 0 HD22 LEU B 58 19.664 10.698 -6.757 1.00 1.26 H new ATOM 0 HD23 LEU B 58 18.197 10.491 -5.770 1.00 1.26 H new ATOM 1383 N TYR B 59 17.617 8.329 -3.084 1.00 0.54 N ATOM 1384 CA TYR B 59 16.431 8.945 -2.514 1.00 0.57 C ATOM 1385 C TYR B 59 16.831 10.107 -1.611 1.00 0.58 C ATOM 1386 O TYR B 59 17.725 9.971 -0.776 1.00 0.62 O ATOM 1387 CB TYR B 59 15.597 7.912 -1.737 1.00 0.63 C ATOM 1388 CG TYR B 59 16.121 7.599 -0.348 1.00 0.72 C ATOM 1389 CD1 TYR B 59 17.305 6.893 -0.165 1.00 0.75 C ATOM 1390 CD2 TYR B 59 15.429 8.017 0.783 1.00 0.88 C ATOM 1391 CE1 TYR B 59 17.782 6.616 1.102 1.00 0.97 C ATOM 1392 CE2 TYR B 59 15.899 7.742 2.051 1.00 1.05 C ATOM 1393 CZ TYR B 59 17.076 7.042 2.205 1.00 1.10 C ATOM 1394 OH TYR B 59 17.548 6.766 3.469 1.00 1.35 O ATOM 0 H TYR B 59 18.436 8.358 -2.477 1.00 0.54 H new ATOM 0 HA TYR B 59 15.813 9.329 -3.326 1.00 0.57 H new ATOM 0 HB2 TYR B 59 14.574 8.279 -1.652 1.00 0.63 H new ATOM 0 HB3 TYR B 59 15.557 6.988 -2.314 1.00 0.63 H new ATOM 0 HD1 TYR B 59 17.861 6.556 -1.027 1.00 0.75 H new ATOM 0 HD2 TYR B 59 14.507 8.567 0.667 1.00 0.88 H new ATOM 0 HE1 TYR B 59 18.704 6.068 1.227 1.00 0.97 H new ATOM 0 HE2 TYR B 59 15.347 8.074 2.918 1.00 1.05 H new ATOM 0 HH TYR B 59 18.240 6.074 3.416 1.00 1.35 H new ATOM 1404 N GLU B 60 16.204 11.258 -1.822 1.00 0.64 N ATOM 1405 CA GLU B 60 16.471 12.464 -1.033 1.00 0.68 C ATOM 1406 C GLU B 60 17.938 12.893 -1.126 1.00 0.74 C ATOM 1407 O GLU B 60 18.425 13.639 -0.278 1.00 0.82 O ATOM 1408 CB GLU B 60 16.089 12.243 0.437 1.00 0.75 C ATOM 1409 CG GLU B 60 14.619 11.929 0.648 1.00 0.88 C ATOM 1410 CD GLU B 60 14.211 12.025 2.103 1.00 1.88 C ATOM 1411 OE1 GLU B 60 14.362 11.029 2.840 1.00 2.64 O ATOM 1412 OE2 GLU B 60 13.743 13.104 2.524 1.00 2.51 O ATOM 0 H GLU B 60 15.495 11.386 -2.544 1.00 0.64 H new ATOM 0 HA GLU B 60 15.858 13.263 -1.450 1.00 0.68 H new ATOM 0 HB2 GLU B 60 16.687 11.425 0.839 1.00 0.75 H new ATOM 0 HB3 GLU B 60 16.346 13.136 1.007 1.00 0.75 H new ATOM 0 HG2 GLU B 60 14.015 12.618 0.058 1.00 0.88 H new ATOM 0 HG3 GLU B 60 14.408 10.925 0.280 1.00 0.88 H new ATOM 1419 N GLY B 61 18.629 12.433 -2.159 1.00 0.81 N ATOM 1420 CA GLY B 61 20.028 12.781 -2.324 1.00 0.99 C ATOM 1421 C GLY B 61 20.951 11.753 -1.700 1.00 1.03 C ATOM 1422 O GLY B 61 22.174 11.869 -1.785 1.00 1.27 O ATOM 0 H GLY B 61 18.248 11.826 -2.885 1.00 0.81 H new ATOM 0 HA2 GLY B 61 20.255 12.873 -3.386 1.00 0.99 H new ATOM 0 HA3 GLY B 61 20.214 13.755 -1.872 1.00 0.99 H new ATOM 1426 N LYS B 62 20.364 10.746 -1.071 1.00 0.90 N ATOM 1427 CA LYS B 62 21.124 9.685 -0.425 1.00 1.00 C ATOM 1428 C LYS B 62 21.043 8.410 -1.257 1.00 0.88 C ATOM 1429 O LYS B 62 20.020 8.138 -1.885 1.00 0.78 O ATOM 1430 CB LYS B 62 20.565 9.432 0.975 1.00 1.08 C ATOM 1431 CG LYS B 62 21.486 8.623 1.877 1.00 1.44 C ATOM 1432 CD LYS B 62 20.733 8.043 3.066 1.00 1.44 C ATOM 1433 CE LYS B 62 20.010 9.121 3.864 1.00 1.32 C ATOM 1434 NZ LYS B 62 19.090 8.533 4.875 1.00 1.45 N ATOM 0 H LYS B 62 19.352 10.641 -0.994 1.00 0.90 H new ATOM 0 HA LYS B 62 22.168 9.988 -0.344 1.00 1.00 H new ATOM 0 HB2 LYS B 62 20.359 10.391 1.451 1.00 1.08 H new ATOM 0 HB3 LYS B 62 19.612 8.910 0.885 1.00 1.08 H new ATOM 0 HG2 LYS B 62 21.941 7.815 1.304 1.00 1.44 H new ATOM 0 HG3 LYS B 62 22.298 9.257 2.233 1.00 1.44 H new ATOM 0 HD2 LYS B 62 20.011 7.307 2.714 1.00 1.44 H new ATOM 0 HD3 LYS B 62 21.432 7.518 3.717 1.00 1.44 H new ATOM 0 HE2 LYS B 62 20.741 9.756 4.363 1.00 1.32 H new ATOM 0 HE3 LYS B 62 19.445 9.759 3.185 1.00 1.32 H new ATOM 0 HZ1 LYS B 62 18.373 9.237 5.143 1.00 1.45 H new ATOM 0 HZ2 LYS B 62 18.621 7.697 4.472 1.00 1.45 H new ATOM 0 HZ3 LYS B 62 19.633 8.254 5.717 1.00 1.45 H new ATOM 1448 N GLU B 63 22.114 7.629 -1.260 1.00 0.95 N ATOM 1449 CA GLU B 63 22.151 6.386 -2.020 1.00 0.88 C ATOM 1450 C GLU B 63 21.888 5.196 -1.113 1.00 0.89 C ATOM 1451 O GLU B 63 22.360 5.151 0.023 1.00 1.05 O ATOM 1452 CB GLU B 63 23.507 6.222 -2.703 1.00 1.03 C ATOM 1453 CG GLU B 63 23.887 7.394 -3.589 1.00 1.17 C ATOM 1454 CD GLU B 63 25.375 7.454 -3.855 1.00 1.35 C ATOM 1455 OE1 GLU B 63 26.145 7.610 -2.884 1.00 1.35 O ATOM 1456 OE2 GLU B 63 25.782 7.339 -5.032 1.00 1.91 O ATOM 0 H GLU B 63 22.970 7.834 -0.744 1.00 0.95 H new ATOM 0 HA GLU B 63 21.371 6.429 -2.780 1.00 0.88 H new ATOM 0 HB2 GLU B 63 24.275 6.090 -1.941 1.00 1.03 H new ATOM 0 HB3 GLU B 63 23.494 5.312 -3.304 1.00 1.03 H new ATOM 0 HG2 GLU B 63 23.354 7.318 -4.537 1.00 1.17 H new ATOM 0 HG3 GLU B 63 23.567 8.323 -3.116 1.00 1.17 H new ATOM 1463 N PHE B 64 21.130 4.237 -1.617 1.00 0.78 N ATOM 1464 CA PHE B 64 20.802 3.038 -0.869 1.00 0.84 C ATOM 1465 C PHE B 64 20.749 1.846 -1.812 1.00 0.86 C ATOM 1466 O PHE B 64 21.023 1.986 -3.005 1.00 0.97 O ATOM 1467 CB PHE B 64 19.454 3.207 -0.162 1.00 0.78 C ATOM 1468 CG PHE B 64 19.506 2.950 1.315 1.00 0.85 C ATOM 1469 CD1 PHE B 64 20.011 3.908 2.179 1.00 0.98 C ATOM 1470 CD2 PHE B 64 19.045 1.754 1.840 1.00 0.89 C ATOM 1471 CE1 PHE B 64 20.049 3.681 3.540 1.00 1.07 C ATOM 1472 CE2 PHE B 64 19.078 1.519 3.201 1.00 1.01 C ATOM 1473 CZ PHE B 64 19.582 2.483 4.052 1.00 1.06 C ATOM 0 H PHE B 64 20.726 4.268 -2.553 1.00 0.78 H new ATOM 0 HA PHE B 64 21.572 2.867 -0.116 1.00 0.84 H new ATOM 0 HB2 PHE B 64 19.090 4.220 -0.332 1.00 0.78 H new ATOM 0 HB3 PHE B 64 18.730 2.529 -0.614 1.00 0.78 H new ATOM 0 HD1 PHE B 64 20.379 4.843 1.783 1.00 0.98 H new ATOM 0 HD2 PHE B 64 18.655 0.996 1.177 1.00 0.89 H new ATOM 0 HE1 PHE B 64 20.442 4.437 4.204 1.00 1.07 H new ATOM 0 HE2 PHE B 64 18.711 0.584 3.598 1.00 1.01 H new ATOM 0 HZ PHE B 64 19.612 2.302 5.116 1.00 1.06 H new ATOM 1483 N ASP B 65 20.411 0.678 -1.283 1.00 0.82 N ATOM 1484 CA ASP B 65 20.313 -0.525 -2.102 1.00 0.85 C ATOM 1485 C ASP B 65 19.118 -0.410 -3.038 1.00 0.82 C ATOM 1486 O ASP B 65 19.254 -0.044 -4.204 1.00 0.92 O ATOM 1487 CB ASP B 65 20.160 -1.776 -1.231 1.00 0.87 C ATOM 1488 CG ASP B 65 21.482 -2.376 -0.799 1.00 1.21 C ATOM 1489 OD1 ASP B 65 22.475 -2.238 -1.539 1.00 1.57 O ATOM 1490 OD2 ASP B 65 21.518 -3.003 0.287 1.00 1.81 O ATOM 0 H ASP B 65 20.201 0.537 -0.295 1.00 0.82 H new ATOM 0 HA ASP B 65 21.232 -0.619 -2.681 1.00 0.85 H new ATOM 0 HB2 ASP B 65 19.578 -1.523 -0.345 1.00 0.87 H new ATOM 0 HB3 ASP B 65 19.592 -2.526 -1.782 1.00 0.87 H new ATOM 1495 N TYR B 66 17.943 -0.696 -2.502 1.00 0.72 N ATOM 1496 CA TYR B 66 16.713 -0.624 -3.271 1.00 0.72 C ATOM 1497 C TYR B 66 15.670 0.172 -2.507 1.00 0.59 C ATOM 1498 O TYR B 66 15.288 -0.191 -1.393 1.00 0.54 O ATOM 1499 CB TYR B 66 16.187 -2.030 -3.581 1.00 0.83 C ATOM 1500 CG TYR B 66 17.147 -2.865 -4.399 1.00 1.06 C ATOM 1501 CD1 TYR B 66 17.243 -2.700 -5.777 1.00 1.21 C ATOM 1502 CD2 TYR B 66 17.956 -3.816 -3.794 1.00 1.26 C ATOM 1503 CE1 TYR B 66 18.119 -3.462 -6.523 1.00 1.48 C ATOM 1504 CE2 TYR B 66 18.833 -4.582 -4.534 1.00 1.52 C ATOM 1505 CZ TYR B 66 18.912 -4.400 -5.897 1.00 1.62 C ATOM 1506 OH TYR B 66 19.785 -5.161 -6.638 1.00 1.92 O ATOM 0 H TYR B 66 17.816 -0.982 -1.531 1.00 0.72 H new ATOM 0 HA TYR B 66 16.921 -0.121 -4.215 1.00 0.72 H new ATOM 0 HB2 TYR B 66 15.976 -2.546 -2.644 1.00 0.83 H new ATOM 0 HB3 TYR B 66 15.242 -1.946 -4.118 1.00 0.83 H new ATOM 0 HD1 TYR B 66 16.623 -1.965 -6.270 1.00 1.21 H new ATOM 0 HD2 TYR B 66 17.898 -3.959 -2.725 1.00 1.26 H new ATOM 0 HE1 TYR B 66 18.183 -3.324 -7.592 1.00 1.48 H new ATOM 0 HE2 TYR B 66 19.454 -5.320 -4.048 1.00 1.52 H new ATOM 0 HH TYR B 66 20.270 -5.773 -6.045 1.00 1.92 H new ATOM 1516 N VAL B 67 15.240 1.280 -3.084 1.00 0.71 N ATOM 1517 CA VAL B 67 14.233 2.110 -2.449 1.00 0.61 C ATOM 1518 C VAL B 67 12.948 2.065 -3.269 1.00 0.64 C ATOM 1519 O VAL B 67 12.991 1.973 -4.499 1.00 0.73 O ATOM 1520 CB VAL B 67 14.703 3.577 -2.258 1.00 0.65 C ATOM 1521 CG1 VAL B 67 16.167 3.632 -1.852 1.00 0.70 C ATOM 1522 CG2 VAL B 67 14.467 4.412 -3.506 1.00 0.73 C ATOM 0 H VAL B 67 15.570 1.624 -3.986 1.00 0.71 H new ATOM 0 HA VAL B 67 14.053 1.708 -1.452 1.00 0.61 H new ATOM 0 HB VAL B 67 14.103 4.004 -1.454 1.00 0.65 H new ATOM 0 HG11 VAL B 67 16.471 4.671 -1.725 1.00 0.70 H new ATOM 0 HG12 VAL B 67 16.304 3.096 -0.913 1.00 0.70 H new ATOM 0 HG13 VAL B 67 16.777 3.168 -2.627 1.00 0.70 H new ATOM 0 HG21 VAL B 67 14.809 5.432 -3.331 1.00 0.73 H new ATOM 0 HG22 VAL B 67 15.019 3.982 -4.341 1.00 0.73 H new ATOM 0 HG23 VAL B 67 13.403 4.422 -3.741 1.00 0.73 H new ATOM 1532 N PHE B 68 11.813 2.107 -2.595 1.00 0.64 N ATOM 1533 CA PHE B 68 10.531 2.060 -3.279 1.00 0.73 C ATOM 1534 C PHE B 68 9.746 3.344 -3.063 1.00 0.72 C ATOM 1535 O PHE B 68 9.643 3.843 -1.942 1.00 0.65 O ATOM 1536 CB PHE B 68 9.715 0.853 -2.797 1.00 0.81 C ATOM 1537 CG PHE B 68 8.340 0.769 -3.402 1.00 0.96 C ATOM 1538 CD1 PHE B 68 8.174 0.601 -4.767 1.00 0.98 C ATOM 1539 CD2 PHE B 68 7.214 0.867 -2.601 1.00 1.19 C ATOM 1540 CE1 PHE B 68 6.911 0.533 -5.323 1.00 1.18 C ATOM 1541 CE2 PHE B 68 5.947 0.802 -3.151 1.00 1.37 C ATOM 1542 CZ PHE B 68 5.796 0.632 -4.513 1.00 1.36 C ATOM 0 H PHE B 68 11.751 2.173 -1.579 1.00 0.64 H new ATOM 0 HA PHE B 68 10.723 1.956 -4.347 1.00 0.73 H new ATOM 0 HB2 PHE B 68 10.262 -0.060 -3.032 1.00 0.81 H new ATOM 0 HB3 PHE B 68 9.622 0.899 -1.712 1.00 0.81 H new ATOM 0 HD1 PHE B 68 9.042 0.522 -5.404 1.00 0.98 H new ATOM 0 HD2 PHE B 68 7.327 0.996 -1.535 1.00 1.19 H new ATOM 0 HE1 PHE B 68 6.795 0.403 -6.389 1.00 1.18 H new ATOM 0 HE2 PHE B 68 5.077 0.884 -2.516 1.00 1.37 H new ATOM 0 HZ PHE B 68 4.808 0.576 -4.945 1.00 1.36 H new ATOM 1552 N SER B 69 9.226 3.884 -4.157 1.00 0.84 N ATOM 1553 CA SER B 69 8.425 5.094 -4.122 1.00 0.90 C ATOM 1554 C SER B 69 6.980 4.735 -3.777 1.00 0.94 C ATOM 1555 O SER B 69 6.242 4.206 -4.609 1.00 1.09 O ATOM 1556 CB SER B 69 8.503 5.800 -5.477 1.00 1.10 C ATOM 1557 OG SER B 69 9.144 4.972 -6.438 1.00 1.04 O ATOM 0 H SER B 69 9.349 3.494 -5.091 1.00 0.84 H new ATOM 0 HA SER B 69 8.807 5.771 -3.359 1.00 0.90 H new ATOM 0 HB2 SER B 69 7.500 6.053 -5.819 1.00 1.10 H new ATOM 0 HB3 SER B 69 9.050 6.737 -5.374 1.00 1.10 H new ATOM 0 HG SER B 69 9.183 5.439 -7.298 1.00 1.04 H new ATOM 1563 N ILE B 70 6.595 5.008 -2.544 1.00 0.84 N ATOM 1564 CA ILE B 70 5.258 4.695 -2.068 1.00 0.91 C ATOM 1565 C ILE B 70 4.282 5.827 -2.351 1.00 1.06 C ATOM 1566 O ILE B 70 4.525 6.980 -1.984 1.00 1.32 O ATOM 1567 CB ILE B 70 5.263 4.413 -0.550 1.00 0.88 C ATOM 1568 CG1 ILE B 70 6.425 3.487 -0.181 1.00 0.74 C ATOM 1569 CG2 ILE B 70 3.936 3.801 -0.115 1.00 1.05 C ATOM 1570 CD1 ILE B 70 6.793 3.533 1.285 1.00 1.25 C ATOM 0 H ILE B 70 7.195 5.450 -1.847 1.00 0.84 H new ATOM 0 HA ILE B 70 4.935 3.804 -2.607 1.00 0.91 H new ATOM 0 HB ILE B 70 5.395 5.359 -0.025 1.00 0.88 H new ATOM 0 HG12 ILE B 70 6.163 2.464 -0.449 1.00 0.74 H new ATOM 0 HG13 ILE B 70 7.298 3.758 -0.775 1.00 0.74 H new ATOM 0 HG21 ILE B 70 3.958 3.609 0.958 1.00 1.05 H new ATOM 0 HG22 ILE B 70 3.124 4.492 -0.343 1.00 1.05 H new ATOM 0 HG23 ILE B 70 3.775 2.864 -0.648 1.00 1.05 H new ATOM 0 HD11 ILE B 70 7.623 2.852 1.473 1.00 1.25 H new ATOM 0 HD12 ILE B 70 7.087 4.547 1.555 1.00 1.25 H new ATOM 0 HD13 ILE B 70 5.934 3.232 1.885 1.00 1.25 H new ATOM 1582 N ASP B 71 3.191 5.493 -3.023 1.00 0.97 N ATOM 1583 CA ASP B 71 2.146 6.459 -3.332 1.00 1.14 C ATOM 1584 C ASP B 71 1.031 6.318 -2.306 1.00 1.17 C ATOM 1585 O ASP B 71 0.890 5.262 -1.687 1.00 1.23 O ATOM 1586 CB ASP B 71 1.590 6.227 -4.741 1.00 1.26 C ATOM 1587 CG ASP B 71 0.768 4.954 -4.843 1.00 1.04 C ATOM 1588 OD1 ASP B 71 1.357 3.870 -5.016 1.00 1.52 O ATOM 1589 OD2 ASP B 71 -0.475 5.026 -4.749 1.00 1.48 O ATOM 0 H ASP B 71 3.005 4.551 -3.368 1.00 0.97 H new ATOM 0 HA ASP B 71 2.565 7.465 -3.295 1.00 1.14 H new ATOM 0 HB2 ASP B 71 0.972 7.078 -5.028 1.00 1.26 H new ATOM 0 HB3 ASP B 71 2.416 6.179 -5.450 1.00 1.26 H new ATOM 1594 N VAL B 72 0.243 7.366 -2.117 1.00 1.48 N ATOM 1595 CA VAL B 72 -0.847 7.310 -1.150 1.00 1.59 C ATOM 1596 C VAL B 72 -1.822 8.476 -1.327 1.00 1.63 C ATOM 1597 O VAL B 72 -3.033 8.300 -1.196 1.00 1.86 O ATOM 1598 CB VAL B 72 -0.310 7.262 0.306 1.00 1.61 C ATOM 1599 CG1 VAL B 72 0.403 8.552 0.689 1.00 1.82 C ATOM 1600 CG2 VAL B 72 -1.430 6.951 1.285 1.00 1.87 C ATOM 0 H VAL B 72 0.334 8.254 -2.611 1.00 1.48 H new ATOM 0 HA VAL B 72 -1.394 6.387 -1.341 1.00 1.59 H new ATOM 0 HB VAL B 72 0.424 6.458 0.356 1.00 1.61 H new ATOM 0 HG11 VAL B 72 0.764 8.478 1.715 1.00 1.82 H new ATOM 0 HG12 VAL B 72 1.247 8.714 0.019 1.00 1.82 H new ATOM 0 HG13 VAL B 72 -0.291 9.389 0.608 1.00 1.82 H new ATOM 0 HG21 VAL B 72 -1.030 6.923 2.299 1.00 1.87 H new ATOM 0 HG22 VAL B 72 -2.196 7.724 1.219 1.00 1.87 H new ATOM 0 HG23 VAL B 72 -1.869 5.983 1.041 1.00 1.87 H new ATOM 1610 N ASN B 73 -1.304 9.654 -1.638 1.00 1.47 N ATOM 1611 CA ASN B 73 -2.147 10.826 -1.835 1.00 1.57 C ATOM 1612 C ASN B 73 -1.667 11.620 -3.037 1.00 1.59 C ATOM 1613 O ASN B 73 -0.504 11.516 -3.435 1.00 1.71 O ATOM 1614 CB ASN B 73 -2.157 11.717 -0.579 1.00 1.67 C ATOM 1615 CG ASN B 73 -0.924 12.598 -0.457 1.00 1.70 C ATOM 1616 OD1 ASN B 73 0.121 12.153 0.010 1.00 1.96 O ATOM 1617 ND2 ASN B 73 -1.038 13.855 -0.860 1.00 1.91 N ATOM 0 H ASN B 73 -0.306 9.825 -1.760 1.00 1.47 H new ATOM 0 HA ASN B 73 -3.166 10.485 -2.018 1.00 1.57 H new ATOM 0 HB2 ASN B 73 -3.046 12.348 -0.597 1.00 1.67 H new ATOM 0 HB3 ASN B 73 -2.232 11.085 0.306 1.00 1.67 H new ATOM 0 HD21 ASN B 73 -0.242 14.488 -0.787 1.00 1.91 H new ATOM 0 HD22 ASN B 73 -1.922 14.190 -1.243 1.00 1.91 H new ATOM 1624 N GLU B 74 -2.564 12.399 -3.621 1.00 1.59 N ATOM 1625 CA GLU B 74 -2.220 13.207 -4.774 1.00 1.64 C ATOM 1626 C GLU B 74 -1.682 14.560 -4.327 1.00 1.66 C ATOM 1627 O GLU B 74 -2.180 15.146 -3.361 1.00 1.76 O ATOM 1628 CB GLU B 74 -3.433 13.394 -5.683 1.00 1.78 C ATOM 1629 CG GLU B 74 -3.075 13.937 -7.056 1.00 2.27 C ATOM 1630 CD GLU B 74 -1.983 13.130 -7.726 1.00 2.16 C ATOM 1631 OE1 GLU B 74 -0.787 13.411 -7.476 1.00 2.62 O ATOM 1632 OE2 GLU B 74 -2.314 12.202 -8.495 1.00 2.14 O ATOM 0 H GLU B 74 -3.533 12.487 -3.314 1.00 1.59 H new ATOM 0 HA GLU B 74 -1.445 12.689 -5.338 1.00 1.64 H new ATOM 0 HB2 GLU B 74 -3.942 12.437 -5.799 1.00 1.78 H new ATOM 0 HB3 GLU B 74 -4.137 14.074 -5.203 1.00 1.78 H new ATOM 0 HG2 GLU B 74 -3.963 13.937 -7.687 1.00 2.27 H new ATOM 0 HG3 GLU B 74 -2.752 14.974 -6.961 1.00 2.27 H new ATOM 1639 N GLY B 75 -0.656 15.037 -5.022 1.00 1.63 N ATOM 1640 CA GLY B 75 -0.054 16.313 -4.694 1.00 1.68 C ATOM 1641 C GLY B 75 0.641 16.292 -3.349 1.00 1.56 C ATOM 1642 O GLY B 75 0.422 17.171 -2.517 1.00 1.71 O ATOM 0 H GLY B 75 -0.228 14.557 -5.814 1.00 1.63 H new ATOM 0 HA2 GLY B 75 0.665 16.583 -5.468 1.00 1.68 H new ATOM 0 HA3 GLY B 75 -0.823 17.085 -4.691 1.00 1.68 H new ATOM 1646 N GLY B 76 1.483 15.294 -3.126 1.00 1.59 N ATOM 1647 CA GLY B 76 2.189 15.197 -1.866 1.00 1.48 C ATOM 1648 C GLY B 76 3.623 14.740 -2.037 1.00 1.42 C ATOM 1649 O GLY B 76 4.083 14.537 -3.164 1.00 1.49 O ATOM 0 H GLY B 76 1.690 14.551 -3.794 1.00 1.59 H new ATOM 0 HA2 GLY B 76 2.177 16.168 -1.371 1.00 1.48 H new ATOM 0 HA3 GLY B 76 1.665 14.500 -1.212 1.00 1.48 H new ATOM 1653 N PRO B 77 4.357 14.568 -0.930 1.00 1.37 N ATOM 1654 CA PRO B 77 5.752 14.132 -0.969 1.00 1.36 C ATOM 1655 C PRO B 77 5.886 12.639 -1.270 1.00 1.22 C ATOM 1656 O PRO B 77 5.218 11.809 -0.653 1.00 1.17 O ATOM 1657 CB PRO B 77 6.253 14.440 0.443 1.00 1.41 C ATOM 1658 CG PRO B 77 5.039 14.342 1.306 1.00 1.47 C ATOM 1659 CD PRO B 77 3.880 14.783 0.451 1.00 1.43 C ATOM 0 HA PRO B 77 6.316 14.631 -1.757 1.00 1.36 H new ATOM 0 HB2 PRO B 77 7.019 13.730 0.755 1.00 1.41 H new ATOM 0 HB3 PRO B 77 6.698 15.433 0.497 1.00 1.41 H new ATOM 0 HG2 PRO B 77 4.895 13.322 1.661 1.00 1.47 H new ATOM 0 HG3 PRO B 77 5.136 14.976 2.188 1.00 1.47 H new ATOM 0 HD2 PRO B 77 2.984 14.199 0.660 1.00 1.43 H new ATOM 0 HD3 PRO B 77 3.627 15.828 0.628 1.00 1.43 H new ATOM 1667 N SER B 78 6.736 12.307 -2.230 1.00 1.24 N ATOM 1668 CA SER B 78 6.959 10.919 -2.602 1.00 1.16 C ATOM 1669 C SER B 78 7.755 10.202 -1.518 1.00 0.96 C ATOM 1670 O SER B 78 8.934 10.490 -1.302 1.00 0.91 O ATOM 1671 CB SER B 78 7.693 10.850 -3.940 1.00 1.33 C ATOM 1672 OG SER B 78 7.091 11.715 -4.887 1.00 1.66 O ATOM 0 H SER B 78 7.283 12.981 -2.766 1.00 1.24 H new ATOM 0 HA SER B 78 5.995 10.421 -2.706 1.00 1.16 H new ATOM 0 HB2 SER B 78 8.738 11.126 -3.801 1.00 1.33 H new ATOM 0 HB3 SER B 78 7.680 9.827 -4.315 1.00 1.33 H new ATOM 0 HG SER B 78 7.576 11.658 -5.737 1.00 1.66 H new ATOM 1678 N TYR B 79 7.097 9.287 -0.826 1.00 0.93 N ATOM 1679 CA TYR B 79 7.734 8.527 0.235 1.00 0.77 C ATOM 1680 C TYR B 79 8.635 7.446 -0.348 1.00 0.70 C ATOM 1681 O TYR B 79 8.170 6.540 -1.030 1.00 0.70 O ATOM 1682 CB TYR B 79 6.670 7.909 1.144 1.00 0.82 C ATOM 1683 CG TYR B 79 5.893 8.930 1.944 1.00 0.98 C ATOM 1684 CD1 TYR B 79 6.484 9.600 3.006 1.00 1.03 C ATOM 1685 CD2 TYR B 79 4.571 9.226 1.633 1.00 1.22 C ATOM 1686 CE1 TYR B 79 5.782 10.538 3.737 1.00 1.25 C ATOM 1687 CE2 TYR B 79 3.861 10.165 2.360 1.00 1.40 C ATOM 1688 CZ TYR B 79 4.474 10.818 3.412 1.00 1.40 C ATOM 1689 OH TYR B 79 3.778 11.756 4.143 1.00 1.64 O ATOM 0 H TYR B 79 6.117 9.052 -0.982 1.00 0.93 H new ATOM 0 HA TYR B 79 8.353 9.201 0.827 1.00 0.77 H new ATOM 0 HB2 TYR B 79 5.975 7.331 0.535 1.00 0.82 H new ATOM 0 HB3 TYR B 79 7.150 7.211 1.830 1.00 0.82 H new ATOM 0 HD1 TYR B 79 7.510 9.384 3.265 1.00 1.03 H new ATOM 0 HD2 TYR B 79 4.091 8.715 0.811 1.00 1.22 H new ATOM 0 HE1 TYR B 79 6.257 11.050 4.561 1.00 1.25 H new ATOM 0 HE2 TYR B 79 2.835 10.386 2.107 1.00 1.40 H new ATOM 0 HH TYR B 79 2.869 11.839 3.787 1.00 1.64 H new ATOM 1699 N LYS B 80 9.927 7.559 -0.089 1.00 0.71 N ATOM 1700 CA LYS B 80 10.889 6.595 -0.598 1.00 0.68 C ATOM 1701 C LYS B 80 11.427 5.726 0.531 1.00 0.61 C ATOM 1702 O LYS B 80 12.218 6.188 1.350 1.00 0.62 O ATOM 1703 CB LYS B 80 12.044 7.319 -1.293 1.00 0.72 C ATOM 1704 CG LYS B 80 11.608 8.158 -2.482 1.00 0.93 C ATOM 1705 CD LYS B 80 11.614 7.354 -3.772 1.00 1.14 C ATOM 1706 CE LYS B 80 12.872 7.621 -4.591 1.00 1.42 C ATOM 1707 NZ LYS B 80 12.976 9.045 -5.009 1.00 2.09 N ATOM 0 H LYS B 80 10.334 8.308 0.471 1.00 0.71 H new ATOM 0 HA LYS B 80 10.383 5.954 -1.320 1.00 0.68 H new ATOM 0 HB2 LYS B 80 12.546 7.962 -0.570 1.00 0.72 H new ATOM 0 HB3 LYS B 80 12.775 6.583 -1.627 1.00 0.72 H new ATOM 0 HG2 LYS B 80 10.607 8.550 -2.303 1.00 0.93 H new ATOM 0 HG3 LYS B 80 12.273 9.016 -2.585 1.00 0.93 H new ATOM 0 HD2 LYS B 80 11.549 6.291 -3.540 1.00 1.14 H new ATOM 0 HD3 LYS B 80 10.733 7.606 -4.363 1.00 1.14 H new ATOM 0 HE2 LYS B 80 13.750 7.351 -4.004 1.00 1.42 H new ATOM 0 HE3 LYS B 80 12.871 6.983 -5.475 1.00 1.42 H new ATOM 0 HZ1 LYS B 80 13.501 9.106 -5.905 1.00 2.09 H new ATOM 0 HZ2 LYS B 80 12.022 9.439 -5.139 1.00 2.09 H new ATOM 0 HZ3 LYS B 80 13.478 9.586 -4.276 1.00 2.09 H new ATOM 1721 N LEU B 81 10.988 4.478 0.574 1.00 0.59 N ATOM 1722 CA LEU B 81 11.434 3.548 1.602 1.00 0.58 C ATOM 1723 C LEU B 81 12.751 2.901 1.188 1.00 0.52 C ATOM 1724 O LEU B 81 12.815 2.208 0.172 1.00 0.50 O ATOM 1725 CB LEU B 81 10.370 2.476 1.859 1.00 0.65 C ATOM 1726 CG LEU B 81 10.653 1.549 3.042 1.00 0.73 C ATOM 1727 CD1 LEU B 81 9.375 1.277 3.821 1.00 0.81 C ATOM 1728 CD2 LEU B 81 11.271 0.245 2.561 1.00 0.96 C ATOM 0 H LEU B 81 10.323 4.084 -0.091 1.00 0.59 H new ATOM 0 HA LEU B 81 11.590 4.103 2.527 1.00 0.58 H new ATOM 0 HB2 LEU B 81 9.413 2.970 2.026 1.00 0.65 H new ATOM 0 HB3 LEU B 81 10.264 1.869 0.960 1.00 0.65 H new ATOM 0 HG LEU B 81 11.363 2.043 3.705 1.00 0.73 H new ATOM 0 HD11 LEU B 81 9.594 0.616 4.659 1.00 0.81 H new ATOM 0 HD12 LEU B 81 8.971 2.217 4.196 1.00 0.81 H new ATOM 0 HD13 LEU B 81 8.644 0.803 3.166 1.00 0.81 H new ATOM 0 HD21 LEU B 81 11.466 -0.402 3.416 1.00 0.96 H new ATOM 0 HD22 LEU B 81 10.583 -0.253 1.878 1.00 0.96 H new ATOM 0 HD23 LEU B 81 12.207 0.455 2.044 1.00 0.96 H new ATOM 1740 N PRO B 82 13.819 3.135 1.959 1.00 0.57 N ATOM 1741 CA PRO B 82 15.137 2.585 1.676 1.00 0.58 C ATOM 1742 C PRO B 82 15.368 1.226 2.332 1.00 0.59 C ATOM 1743 O PRO B 82 15.483 1.127 3.552 1.00 0.67 O ATOM 1744 CB PRO B 82 16.056 3.638 2.282 1.00 0.67 C ATOM 1745 CG PRO B 82 15.302 4.177 3.458 1.00 0.72 C ATOM 1746 CD PRO B 82 13.833 3.970 3.174 1.00 0.67 C ATOM 0 HA PRO B 82 15.294 2.399 0.613 1.00 0.58 H new ATOM 0 HB2 PRO B 82 17.007 3.203 2.588 1.00 0.67 H new ATOM 0 HB3 PRO B 82 16.282 4.426 1.563 1.00 0.67 H new ATOM 0 HG2 PRO B 82 15.594 3.661 4.373 1.00 0.72 H new ATOM 0 HG3 PRO B 82 15.521 5.235 3.605 1.00 0.72 H new ATOM 0 HD2 PRO B 82 13.332 3.474 4.005 1.00 0.67 H new ATOM 0 HD3 PRO B 82 13.320 4.918 3.013 1.00 0.67 H new ATOM 1754 N TYR B 83 15.445 0.182 1.521 1.00 0.60 N ATOM 1755 CA TYR B 83 15.663 -1.163 2.034 1.00 0.63 C ATOM 1756 C TYR B 83 17.092 -1.626 1.766 1.00 0.67 C ATOM 1757 O TYR B 83 17.600 -1.487 0.651 1.00 0.66 O ATOM 1758 CB TYR B 83 14.661 -2.142 1.405 1.00 0.63 C ATOM 1759 CG TYR B 83 14.953 -3.598 1.702 1.00 0.69 C ATOM 1760 CD1 TYR B 83 14.897 -4.091 3.000 1.00 0.72 C ATOM 1761 CD2 TYR B 83 15.288 -4.480 0.682 1.00 0.73 C ATOM 1762 CE1 TYR B 83 15.164 -5.419 3.274 1.00 0.79 C ATOM 1763 CE2 TYR B 83 15.556 -5.810 0.949 1.00 0.80 C ATOM 1764 CZ TYR B 83 15.493 -6.275 2.245 1.00 0.83 C ATOM 1765 OH TYR B 83 15.759 -7.602 2.509 1.00 0.91 O ATOM 0 H TYR B 83 15.360 0.239 0.506 1.00 0.60 H new ATOM 0 HA TYR B 83 15.508 -1.143 3.113 1.00 0.63 H new ATOM 0 HB2 TYR B 83 13.660 -1.902 1.764 1.00 0.63 H new ATOM 0 HB3 TYR B 83 14.655 -1.996 0.325 1.00 0.63 H new ATOM 0 HD1 TYR B 83 14.640 -3.424 3.810 1.00 0.72 H new ATOM 0 HD2 TYR B 83 15.340 -4.121 -0.335 1.00 0.73 H new ATOM 0 HE1 TYR B 83 15.115 -5.784 4.289 1.00 0.79 H new ATOM 0 HE2 TYR B 83 15.814 -6.483 0.144 1.00 0.80 H new ATOM 0 HH TYR B 83 15.245 -7.889 3.292 1.00 0.91 H new ATOM 1775 N ASN B 84 17.738 -2.155 2.798 1.00 0.77 N ATOM 1776 CA ASN B 84 19.099 -2.661 2.679 1.00 0.84 C ATOM 1777 C ASN B 84 19.055 -4.170 2.494 1.00 0.81 C ATOM 1778 O ASN B 84 18.220 -4.845 3.090 1.00 0.80 O ATOM 1779 CB ASN B 84 19.926 -2.314 3.920 1.00 0.93 C ATOM 1780 CG ASN B 84 21.027 -1.302 3.647 1.00 1.33 C ATOM 1781 OD1 ASN B 84 21.340 -0.473 4.500 1.00 2.02 O ATOM 1782 ND2 ASN B 84 21.640 -1.363 2.471 1.00 1.93 N ATOM 0 H ASN B 84 17.338 -2.245 3.732 1.00 0.77 H new ATOM 0 HA ASN B 84 19.573 -2.193 1.816 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.263 -1.920 4.691 1.00 0.93 H new ATOM 0 HB3 ASN B 84 20.371 -3.226 4.318 1.00 0.93 H new ATOM 0 HD21 ASN B 84 22.394 -0.711 2.254 1.00 1.93 H new ATOM 0 HD22 ASN B 84 21.357 -2.062 1.784 1.00 1.93 H new ATOM 1789 N THR B 85 19.957 -4.690 1.681 1.00 0.83 N ATOM 1790 CA THR B 85 20.018 -6.120 1.401 1.00 0.83 C ATOM 1791 C THR B 85 20.137 -6.968 2.673 1.00 0.83 C ATOM 1792 O THR B 85 19.566 -8.060 2.757 1.00 0.96 O ATOM 1793 CB THR B 85 21.201 -6.425 0.463 1.00 0.94 C ATOM 1794 OG1 THR B 85 22.286 -5.520 0.734 1.00 1.11 O ATOM 1795 CG2 THR B 85 20.782 -6.297 -0.995 1.00 1.17 C ATOM 0 H THR B 85 20.666 -4.139 1.197 1.00 0.83 H new ATOM 0 HA THR B 85 19.078 -6.388 0.919 1.00 0.83 H new ATOM 0 HB THR B 85 21.526 -7.450 0.643 1.00 0.94 H new ATOM 0 HG1 THR B 85 22.146 -4.685 0.241 1.00 1.11 H new ATOM 0 HG21 THR B 85 21.634 -6.517 -1.639 1.00 1.17 H new ATOM 0 HG22 THR B 85 19.977 -7.001 -1.205 1.00 1.17 H new ATOM 0 HG23 THR B 85 20.435 -5.281 -1.186 1.00 1.17 H new ATOM 1803 N SER B 86 20.852 -6.461 3.667 1.00 0.84 N ATOM 1804 CA SER B 86 21.045 -7.192 4.912 1.00 0.88 C ATOM 1805 C SER B 86 20.106 -6.706 6.019 1.00 0.91 C ATOM 1806 O SER B 86 20.271 -7.076 7.182 1.00 1.14 O ATOM 1807 CB SER B 86 22.501 -7.052 5.358 1.00 0.93 C ATOM 1808 OG SER B 86 22.984 -5.749 5.075 1.00 1.23 O ATOM 0 H SER B 86 21.307 -5.549 3.636 1.00 0.84 H new ATOM 0 HA SER B 86 20.808 -8.240 4.728 1.00 0.88 H new ATOM 0 HB2 SER B 86 22.581 -7.252 6.427 1.00 0.93 H new ATOM 0 HB3 SER B 86 23.117 -7.793 4.848 1.00 0.93 H new ATOM 0 HG SER B 86 22.295 -5.089 5.300 1.00 1.23 H new ATOM 1814 N ASP B 87 19.119 -5.895 5.666 1.00 0.85 N ATOM 1815 CA ASP B 87 18.183 -5.385 6.661 1.00 0.88 C ATOM 1816 C ASP B 87 16.931 -6.252 6.701 1.00 0.90 C ATOM 1817 O ASP B 87 16.637 -6.980 5.749 1.00 0.94 O ATOM 1818 CB ASP B 87 17.814 -3.927 6.374 1.00 0.89 C ATOM 1819 CG ASP B 87 17.247 -3.228 7.596 1.00 0.82 C ATOM 1820 OD1 ASP B 87 17.441 -3.739 8.720 1.00 1.09 O ATOM 1821 OD2 ASP B 87 16.605 -2.168 7.437 1.00 1.13 O ATOM 0 H ASP B 87 18.945 -5.579 4.712 1.00 0.85 H new ATOM 0 HA ASP B 87 18.669 -5.424 7.636 1.00 0.88 H new ATOM 0 HB2 ASP B 87 18.698 -3.391 6.029 1.00 0.89 H new ATOM 0 HB3 ASP B 87 17.084 -3.891 5.566 1.00 0.89 H new ATOM 1826 N ASP B 88 16.205 -6.188 7.805 1.00 0.94 N ATOM 1827 CA ASP B 88 14.995 -6.981 7.966 1.00 0.97 C ATOM 1828 C ASP B 88 13.765 -6.125 7.699 1.00 0.93 C ATOM 1829 O ASP B 88 13.695 -4.984 8.148 1.00 0.91 O ATOM 1830 CB ASP B 88 14.933 -7.584 9.369 1.00 1.06 C ATOM 1831 CG ASP B 88 15.346 -9.043 9.396 1.00 1.42 C ATOM 1832 OD1 ASP B 88 16.471 -9.359 8.950 1.00 1.90 O ATOM 1833 OD2 ASP B 88 14.548 -9.885 9.864 1.00 1.60 O ATOM 0 H ASP B 88 16.432 -5.595 8.604 1.00 0.94 H new ATOM 0 HA ASP B 88 15.015 -7.796 7.243 1.00 0.97 H new ATOM 0 HB2 ASP B 88 15.582 -7.014 10.034 1.00 1.06 H new ATOM 0 HB3 ASP B 88 13.918 -7.490 9.756 1.00 1.06 H new ATOM 1838 N PRO B 89 12.773 -6.679 6.973 1.00 0.94 N ATOM 1839 CA PRO B 89 11.532 -5.978 6.609 1.00 0.93 C ATOM 1840 C PRO B 89 10.906 -5.187 7.756 1.00 0.88 C ATOM 1841 O PRO B 89 10.559 -4.020 7.593 1.00 0.82 O ATOM 1842 CB PRO B 89 10.584 -7.110 6.168 1.00 0.99 C ATOM 1843 CG PRO B 89 11.329 -8.392 6.394 1.00 1.06 C ATOM 1844 CD PRO B 89 12.785 -8.042 6.437 1.00 0.99 C ATOM 0 HA PRO B 89 11.728 -5.230 5.841 1.00 0.93 H new ATOM 0 HB2 PRO B 89 9.659 -7.090 6.745 1.00 0.99 H new ATOM 0 HB3 PRO B 89 10.308 -7.000 5.119 1.00 0.99 H new ATOM 0 HG2 PRO B 89 11.016 -8.862 7.326 1.00 1.06 H new ATOM 0 HG3 PRO B 89 11.126 -9.104 5.594 1.00 1.06 H new ATOM 0 HD2 PRO B 89 13.347 -8.723 7.076 1.00 0.99 H new ATOM 0 HD3 PRO B 89 13.241 -8.084 5.448 1.00 0.99 H new ATOM 1852 N TRP B 90 10.766 -5.830 8.909 1.00 0.93 N ATOM 1853 CA TRP B 90 10.171 -5.186 10.081 1.00 0.92 C ATOM 1854 C TRP B 90 10.992 -3.977 10.518 1.00 0.91 C ATOM 1855 O TRP B 90 10.440 -2.926 10.851 1.00 0.92 O ATOM 1856 CB TRP B 90 10.052 -6.184 11.242 1.00 1.02 C ATOM 1857 CG TRP B 90 10.580 -7.546 10.915 1.00 1.06 C ATOM 1858 CD1 TRP B 90 11.870 -7.969 11.032 1.00 1.19 C ATOM 1859 CD2 TRP B 90 9.836 -8.662 10.414 1.00 1.27 C ATOM 1860 NE1 TRP B 90 11.978 -9.275 10.626 1.00 1.42 N ATOM 1861 CE2 TRP B 90 10.740 -9.723 10.241 1.00 1.46 C ATOM 1862 CE3 TRP B 90 8.491 -8.860 10.089 1.00 1.50 C ATOM 1863 CZ2 TRP B 90 10.344 -10.969 9.762 1.00 1.81 C ATOM 1864 CZ3 TRP B 90 8.098 -10.100 9.615 1.00 1.84 C ATOM 1865 CH2 TRP B 90 9.020 -11.139 9.453 1.00 1.97 C ATOM 0 H TRP B 90 11.055 -6.796 9.061 1.00 0.93 H new ATOM 0 HA TRP B 90 9.174 -4.844 9.803 1.00 0.92 H new ATOM 0 HB2 TRP B 90 10.591 -5.792 12.105 1.00 1.02 H new ATOM 0 HB3 TRP B 90 9.005 -6.269 11.532 1.00 1.02 H new ATOM 0 HD1 TRP B 90 12.689 -7.364 11.392 1.00 1.19 H new ATOM 0 HE1 TRP B 90 12.838 -9.823 10.613 1.00 1.42 H new ATOM 0 HE3 TRP B 90 7.773 -8.062 10.205 1.00 1.50 H new ATOM 0 HZ2 TRP B 90 11.055 -11.773 9.638 1.00 1.81 H new ATOM 0 HZ3 TRP B 90 7.061 -10.268 9.366 1.00 1.84 H new ATOM 0 HH2 TRP B 90 8.682 -12.093 9.077 1.00 1.97 H new ATOM 1876 N LEU B 91 12.311 -4.125 10.490 1.00 0.95 N ATOM 1877 CA LEU B 91 13.209 -3.051 10.885 1.00 0.97 C ATOM 1878 C LEU B 91 13.177 -1.933 9.859 1.00 0.88 C ATOM 1879 O LEU B 91 13.000 -0.769 10.210 1.00 0.88 O ATOM 1880 CB LEU B 91 14.634 -3.576 11.052 1.00 1.07 C ATOM 1881 CG LEU B 91 14.824 -4.576 12.193 1.00 1.11 C ATOM 1882 CD1 LEU B 91 16.245 -5.109 12.205 1.00 1.24 C ATOM 1883 CD2 LEU B 91 14.479 -3.933 13.529 1.00 1.17 C ATOM 0 H LEU B 91 12.782 -4.981 10.197 1.00 0.95 H new ATOM 0 HA LEU B 91 12.872 -2.656 11.844 1.00 0.97 H new ATOM 0 HB2 LEU B 91 14.943 -4.048 10.120 1.00 1.07 H new ATOM 0 HB3 LEU B 91 15.300 -2.729 11.216 1.00 1.07 H new ATOM 0 HG LEU B 91 14.147 -5.415 12.032 1.00 1.11 H new ATOM 0 HD11 LEU B 91 16.360 -5.819 13.024 1.00 1.24 H new ATOM 0 HD12 LEU B 91 16.454 -5.609 11.259 1.00 1.24 H new ATOM 0 HD13 LEU B 91 16.943 -4.282 12.340 1.00 1.24 H new ATOM 0 HD21 LEU B 91 14.620 -4.659 14.330 1.00 1.17 H new ATOM 0 HD22 LEU B 91 15.130 -3.075 13.699 1.00 1.17 H new ATOM 0 HD23 LEU B 91 13.440 -3.604 13.517 1.00 1.17 H new ATOM 1895 N THR B 92 13.336 -2.296 8.590 1.00 0.81 N ATOM 1896 CA THR B 92 13.314 -1.330 7.501 1.00 0.74 C ATOM 1897 C THR B 92 12.024 -0.514 7.515 1.00 0.69 C ATOM 1898 O THR B 92 12.041 0.706 7.332 1.00 0.68 O ATOM 1899 CB THR B 92 13.434 -2.033 6.141 1.00 0.73 C ATOM 1900 OG1 THR B 92 14.457 -3.035 6.193 1.00 0.79 O ATOM 1901 CG2 THR B 92 13.751 -1.032 5.044 1.00 0.84 C ATOM 0 H THR B 92 13.482 -3.260 8.291 1.00 0.81 H new ATOM 0 HA THR B 92 14.166 -0.665 7.646 1.00 0.74 H new ATOM 0 HB THR B 92 12.478 -2.506 5.915 1.00 0.73 H new ATOM 0 HG1 THR B 92 15.326 -2.608 6.343 1.00 0.79 H new ATOM 0 HG21 THR B 92 13.832 -1.552 4.089 1.00 0.84 H new ATOM 0 HG22 THR B 92 12.954 -0.290 4.987 1.00 0.84 H new ATOM 0 HG23 THR B 92 14.695 -0.535 5.267 1.00 0.84 H new ATOM 1909 N ALA B 93 10.908 -1.200 7.740 1.00 0.72 N ATOM 1910 CA ALA B 93 9.607 -0.553 7.785 1.00 0.74 C ATOM 1911 C ALA B 93 9.559 0.474 8.906 1.00 0.78 C ATOM 1912 O ALA B 93 9.190 1.627 8.683 1.00 0.78 O ATOM 1913 CB ALA B 93 8.512 -1.591 7.960 1.00 0.82 C ATOM 0 H ALA B 93 10.882 -2.208 7.894 1.00 0.72 H new ATOM 0 HA ALA B 93 9.443 -0.032 6.842 1.00 0.74 H new ATOM 0 HB1 ALA B 93 7.542 -1.095 7.992 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.535 -2.289 7.123 1.00 0.82 H new ATOM 0 HB3 ALA B 93 8.672 -2.135 8.891 1.00 0.82 H new ATOM 1919 N TYR B 94 9.959 0.060 10.105 1.00 0.82 N ATOM 1920 CA TYR B 94 9.967 0.951 11.260 1.00 0.90 C ATOM 1921 C TYR B 94 10.964 2.089 11.044 1.00 0.88 C ATOM 1922 O TYR B 94 10.722 3.224 11.453 1.00 0.90 O ATOM 1923 CB TYR B 94 10.316 0.175 12.536 1.00 0.98 C ATOM 1924 CG TYR B 94 10.240 1.008 13.794 1.00 1.23 C ATOM 1925 CD1 TYR B 94 9.049 1.607 14.181 1.00 1.31 C ATOM 1926 CD2 TYR B 94 11.361 1.202 14.591 1.00 1.54 C ATOM 1927 CE1 TYR B 94 8.977 2.377 15.325 1.00 1.60 C ATOM 1928 CE2 TYR B 94 11.298 1.971 15.736 1.00 1.80 C ATOM 1929 CZ TYR B 94 10.103 2.556 16.098 1.00 1.79 C ATOM 1930 OH TYR B 94 10.036 3.323 17.238 1.00 2.10 O ATOM 0 H TYR B 94 10.282 -0.887 10.302 1.00 0.82 H new ATOM 0 HA TYR B 94 8.970 1.375 11.375 1.00 0.90 H new ATOM 0 HB2 TYR B 94 9.638 -0.673 12.631 1.00 0.98 H new ATOM 0 HB3 TYR B 94 11.323 -0.231 12.440 1.00 0.98 H new ATOM 0 HD1 TYR B 94 8.164 1.469 13.577 1.00 1.31 H new ATOM 0 HD2 TYR B 94 12.298 0.744 14.310 1.00 1.54 H new ATOM 0 HE1 TYR B 94 8.043 2.836 15.612 1.00 1.60 H new ATOM 0 HE2 TYR B 94 12.179 2.113 16.344 1.00 1.80 H new ATOM 0 HH TYR B 94 10.916 3.347 17.668 1.00 2.10 H new ATOM 1940 N ASN B 95 12.075 1.767 10.387 1.00 0.85 N ATOM 1941 CA ASN B 95 13.121 2.744 10.094 1.00 0.85 C ATOM 1942 C ASN B 95 12.559 3.934 9.327 1.00 0.81 C ATOM 1943 O ASN B 95 12.799 5.087 9.686 1.00 0.83 O ATOM 1944 CB ASN B 95 14.246 2.093 9.280 1.00 0.86 C ATOM 1945 CG ASN B 95 15.307 1.451 10.152 1.00 1.08 C ATOM 1946 OD1 ASN B 95 15.584 1.915 11.258 1.00 1.53 O ATOM 1947 ND2 ASN B 95 15.917 0.382 9.660 1.00 1.29 N ATOM 0 H ASN B 95 12.276 0.827 10.044 1.00 0.85 H new ATOM 0 HA ASN B 95 13.521 3.099 11.044 1.00 0.85 H new ATOM 0 HB2 ASN B 95 13.820 1.338 8.619 1.00 0.86 H new ATOM 0 HB3 ASN B 95 14.712 2.847 8.645 1.00 0.86 H new ATOM 0 HD21 ASN B 95 16.644 -0.085 10.202 1.00 1.29 H new ATOM 0 HD22 ASN B 95 15.660 0.027 8.739 1.00 1.29 H new ATOM 1954 N PHE B 96 11.800 3.650 8.278 1.00 0.78 N ATOM 1955 CA PHE B 96 11.207 4.700 7.464 1.00 0.76 C ATOM 1956 C PHE B 96 9.963 5.277 8.133 1.00 0.79 C ATOM 1957 O PHE B 96 9.684 6.475 8.018 1.00 0.79 O ATOM 1958 CB PHE B 96 10.859 4.164 6.074 1.00 0.75 C ATOM 1959 CG PHE B 96 10.330 5.217 5.142 1.00 0.75 C ATOM 1960 CD1 PHE B 96 11.112 6.305 4.789 1.00 0.74 C ATOM 1961 CD2 PHE B 96 9.048 5.123 4.624 1.00 0.79 C ATOM 1962 CE1 PHE B 96 10.626 7.279 3.936 1.00 0.75 C ATOM 1963 CE2 PHE B 96 8.558 6.091 3.772 1.00 0.79 C ATOM 1964 CZ PHE B 96 9.348 7.171 3.428 1.00 0.77 C ATOM 0 H PHE B 96 11.581 2.702 7.971 1.00 0.78 H new ATOM 0 HA PHE B 96 11.940 5.500 7.361 1.00 0.76 H new ATOM 0 HB2 PHE B 96 11.749 3.714 5.634 1.00 0.75 H new ATOM 0 HB3 PHE B 96 10.117 3.372 6.174 1.00 0.75 H new ATOM 0 HD1 PHE B 96 12.113 6.393 5.185 1.00 0.74 H new ATOM 0 HD2 PHE B 96 8.425 4.282 4.891 1.00 0.79 H new ATOM 0 HE1 PHE B 96 11.245 8.122 3.668 1.00 0.75 H new ATOM 0 HE2 PHE B 96 7.558 6.005 3.374 1.00 0.79 H new ATOM 0 HZ PHE B 96 8.965 7.930 2.762 1.00 0.77 H new ATOM 1974 N LEU B 97 9.229 4.425 8.844 1.00 0.82 N ATOM 1975 CA LEU B 97 8.010 4.835 9.533 1.00 0.87 C ATOM 1976 C LEU B 97 8.291 5.957 10.525 1.00 0.88 C ATOM 1977 O LEU B 97 7.553 6.936 10.588 1.00 0.91 O ATOM 1978 CB LEU B 97 7.384 3.646 10.268 1.00 0.93 C ATOM 1979 CG LEU B 97 5.933 3.849 10.708 1.00 1.18 C ATOM 1980 CD1 LEU B 97 4.976 3.281 9.669 1.00 1.34 C ATOM 1981 CD2 LEU B 97 5.692 3.208 12.067 1.00 1.44 C ATOM 0 H LEU B 97 9.461 3.438 8.958 1.00 0.82 H new ATOM 0 HA LEU B 97 7.312 5.202 8.781 1.00 0.87 H new ATOM 0 HB2 LEU B 97 7.432 2.771 9.620 1.00 0.93 H new ATOM 0 HB3 LEU B 97 7.987 3.424 11.148 1.00 0.93 H new ATOM 0 HG LEU B 97 5.746 4.919 10.797 1.00 1.18 H new ATOM 0 HD11 LEU B 97 3.948 3.434 9.999 1.00 1.34 H new ATOM 0 HD12 LEU B 97 5.131 3.787 8.716 1.00 1.34 H new ATOM 0 HD13 LEU B 97 5.163 2.214 9.547 1.00 1.34 H new ATOM 0 HD21 LEU B 97 4.655 3.363 12.363 1.00 1.44 H new ATOM 0 HD22 LEU B 97 5.897 2.139 12.007 1.00 1.44 H new ATOM 0 HD23 LEU B 97 6.352 3.662 12.806 1.00 1.44 H new ATOM 1993 N GLN B 98 9.367 5.816 11.288 1.00 0.88 N ATOM 1994 CA GLN B 98 9.733 6.818 12.278 1.00 0.90 C ATOM 1995 C GLN B 98 10.456 7.995 11.626 1.00 0.89 C ATOM 1996 O GLN B 98 10.501 9.090 12.182 1.00 0.99 O ATOM 1997 CB GLN B 98 10.620 6.196 13.359 1.00 0.93 C ATOM 1998 CG GLN B 98 12.015 5.840 12.868 1.00 1.00 C ATOM 1999 CD GLN B 98 12.846 5.133 13.915 1.00 1.16 C ATOM 2000 OE1 GLN B 98 13.765 4.295 13.471 1.00 1.39 O flip ATOM 2001 NE2 GLN B 98 12.673 5.346 15.116 1.00 1.27 N flip ATOM 0 H GLN B 98 10.000 5.018 11.240 1.00 0.88 H new ATOM 0 HA GLN B 98 8.816 7.189 12.736 1.00 0.90 H new ATOM 0 HB2 GLN B 98 10.704 6.892 14.194 1.00 0.93 H new ATOM 0 HB3 GLN B 98 10.137 5.296 13.741 1.00 0.93 H new ATOM 0 HG2 GLN B 98 11.933 5.204 11.987 1.00 1.00 H new ATOM 0 HG3 GLN B 98 12.529 6.750 12.558 1.00 1.00 H new ATOM 0 HE21 GLN B 98 11.952 6.001 15.419 1.00 1.27 H new ATOM 0 HE22 GLN B 98 13.251 4.867 15.807 1.00 1.27 H new ATOM 2010 N LYS B 99 11.011 7.763 10.441 1.00 0.82 N ATOM 2011 CA LYS B 99 11.744 8.798 9.721 1.00 0.81 C ATOM 2012 C LYS B 99 10.813 9.909 9.239 1.00 0.84 C ATOM 2013 O LYS B 99 11.162 11.085 9.294 1.00 0.90 O ATOM 2014 CB LYS B 99 12.497 8.185 8.533 1.00 0.75 C ATOM 2015 CG LYS B 99 13.387 9.169 7.781 1.00 0.87 C ATOM 2016 CD LYS B 99 12.705 9.696 6.528 1.00 1.04 C ATOM 2017 CE LYS B 99 13.354 10.981 6.036 1.00 1.21 C ATOM 2018 NZ LYS B 99 12.670 11.520 4.830 1.00 1.69 N ATOM 0 H LYS B 99 10.967 6.866 9.958 1.00 0.82 H new ATOM 0 HA LYS B 99 12.463 9.240 10.411 1.00 0.81 H new ATOM 0 HB2 LYS B 99 13.111 7.360 8.893 1.00 0.75 H new ATOM 0 HB3 LYS B 99 11.772 7.763 7.837 1.00 0.75 H new ATOM 0 HG2 LYS B 99 13.642 10.003 8.435 1.00 0.87 H new ATOM 0 HG3 LYS B 99 14.322 8.680 7.509 1.00 0.87 H new ATOM 0 HD2 LYS B 99 12.751 8.941 5.743 1.00 1.04 H new ATOM 0 HD3 LYS B 99 11.650 9.877 6.736 1.00 1.04 H new ATOM 0 HE2 LYS B 99 13.331 11.727 6.830 1.00 1.21 H new ATOM 0 HE3 LYS B 99 14.403 10.793 5.805 1.00 1.21 H new ATOM 0 HZ1 LYS B 99 12.871 12.537 4.742 1.00 1.69 H new ATOM 0 HZ2 LYS B 99 13.016 11.024 3.984 1.00 1.69 H new ATOM 0 HZ3 LYS B 99 11.644 11.377 4.920 1.00 1.69 H new ATOM 2032 N ASN B 100 9.636 9.535 8.760 1.00 0.85 N ATOM 2033 CA ASN B 100 8.675 10.523 8.273 1.00 0.94 C ATOM 2034 C ASN B 100 7.436 10.566 9.158 1.00 0.99 C ATOM 2035 O ASN B 100 6.482 11.285 8.862 1.00 1.09 O ATOM 2036 CB ASN B 100 8.274 10.222 6.829 1.00 0.97 C ATOM 2037 CG ASN B 100 8.835 11.232 5.847 1.00 1.10 C ATOM 2038 OD1 ASN B 100 9.940 11.066 5.325 1.00 1.14 O ATOM 2039 ND2 ASN B 100 8.080 12.285 5.587 1.00 1.50 N ATOM 0 H ASN B 100 9.322 8.567 8.697 1.00 0.85 H new ATOM 0 HA ASN B 100 9.159 11.499 8.308 1.00 0.94 H new ATOM 0 HB2 ASN B 100 8.623 9.225 6.559 1.00 0.97 H new ATOM 0 HB3 ASN B 100 7.187 10.211 6.752 1.00 0.97 H new ATOM 0 HD21 ASN B 100 8.406 12.997 4.934 1.00 1.50 H new ATOM 0 HD22 ASN B 100 7.172 12.385 6.040 1.00 1.50 H new ATOM 2046 N ASP B 101 7.476 9.796 10.247 1.00 0.96 N ATOM 2047 CA ASP B 101 6.368 9.700 11.206 1.00 1.05 C ATOM 2048 C ASP B 101 5.079 9.289 10.504 1.00 1.06 C ATOM 2049 O ASP B 101 4.184 10.105 10.269 1.00 1.14 O ATOM 2050 CB ASP B 101 6.167 11.013 11.973 1.00 1.15 C ATOM 2051 CG ASP B 101 5.392 10.814 13.266 1.00 1.24 C ATOM 2052 OD1 ASP B 101 6.019 10.475 14.293 1.00 1.97 O ATOM 2053 OD2 ASP B 101 4.155 10.997 13.264 1.00 1.37 O ATOM 0 H ASP B 101 8.280 9.218 10.492 1.00 0.96 H new ATOM 0 HA ASP B 101 6.631 8.930 11.931 1.00 1.05 H new ATOM 0 HB2 ASP B 101 7.139 11.452 12.199 1.00 1.15 H new ATOM 0 HB3 ASP B 101 5.636 11.723 11.340 1.00 1.15 H new ATOM 2058 N LEU B 102 5.003 8.019 10.147 1.00 1.03 N ATOM 2059 CA LEU B 102 3.836 7.479 9.467 1.00 1.06 C ATOM 2060 C LEU B 102 3.025 6.597 10.407 1.00 1.13 C ATOM 2061 O LEU B 102 3.527 6.155 11.441 1.00 1.21 O ATOM 2062 CB LEU B 102 4.261 6.670 8.234 1.00 0.99 C ATOM 2063 CG LEU B 102 4.100 7.375 6.881 1.00 1.12 C ATOM 2064 CD1 LEU B 102 2.646 7.744 6.628 1.00 1.66 C ATOM 2065 CD2 LEU B 102 4.984 8.606 6.804 1.00 1.51 C ATOM 0 H LEU B 102 5.742 7.337 10.318 1.00 1.03 H new ATOM 0 HA LEU B 102 3.214 8.315 9.147 1.00 1.06 H new ATOM 0 HB2 LEU B 102 5.307 6.387 8.352 1.00 0.99 H new ATOM 0 HB3 LEU B 102 3.682 5.747 8.212 1.00 0.99 H new ATOM 0 HG LEU B 102 4.414 6.679 6.103 1.00 1.12 H new ATOM 0 HD11 LEU B 102 2.560 8.242 5.662 1.00 1.66 H new ATOM 0 HD12 LEU B 102 2.036 6.840 6.626 1.00 1.66 H new ATOM 0 HD13 LEU B 102 2.299 8.414 7.414 1.00 1.66 H new ATOM 0 HD21 LEU B 102 4.852 9.089 5.836 1.00 1.51 H new ATOM 0 HD22 LEU B 102 4.709 9.302 7.597 1.00 1.51 H new ATOM 0 HD23 LEU B 102 6.027 8.313 6.924 1.00 1.51 H new ATOM 2077 N ASN B 103 1.772 6.348 10.045 1.00 1.17 N ATOM 2078 CA ASN B 103 0.886 5.508 10.846 1.00 1.23 C ATOM 2079 C ASN B 103 1.373 4.062 10.820 1.00 1.14 C ATOM 2080 O ASN B 103 1.589 3.504 9.742 1.00 1.05 O ATOM 2081 CB ASN B 103 -0.545 5.594 10.300 1.00 1.31 C ATOM 2082 CG ASN B 103 -1.586 4.995 11.235 1.00 1.41 C ATOM 2083 OD1 ASN B 103 -1.392 3.922 11.809 1.00 1.27 O ATOM 2084 ND2 ASN B 103 -2.702 5.687 11.395 1.00 1.75 N ATOM 0 H ASN B 103 1.343 6.718 9.197 1.00 1.17 H new ATOM 0 HA ASN B 103 0.894 5.862 11.877 1.00 1.23 H new ATOM 0 HB2 ASN B 103 -0.793 6.639 10.114 1.00 1.31 H new ATOM 0 HB3 ASN B 103 -0.591 5.080 9.340 1.00 1.31 H new ATOM 0 HD21 ASN B 103 -3.436 5.336 12.010 1.00 1.75 H new ATOM 0 HD22 ASN B 103 -2.828 6.572 10.904 1.00 1.75 H new ATOM 2091 N PRO B 104 1.561 3.445 12.002 1.00 1.18 N ATOM 2092 CA PRO B 104 2.022 2.049 12.128 1.00 1.12 C ATOM 2093 C PRO B 104 1.198 1.052 11.306 1.00 1.04 C ATOM 2094 O PRO B 104 1.655 -0.051 11.020 1.00 1.02 O ATOM 2095 CB PRO B 104 1.868 1.760 13.623 1.00 1.22 C ATOM 2096 CG PRO B 104 1.984 3.089 14.278 1.00 1.34 C ATOM 2097 CD PRO B 104 1.373 4.076 13.324 1.00 1.30 C ATOM 0 HA PRO B 104 3.038 1.935 11.749 1.00 1.12 H new ATOM 0 HB2 PRO B 104 0.906 1.294 13.839 1.00 1.22 H new ATOM 0 HB3 PRO B 104 2.640 1.076 13.976 1.00 1.22 H new ATOM 0 HG2 PRO B 104 1.464 3.099 15.236 1.00 1.34 H new ATOM 0 HG3 PRO B 104 3.027 3.335 14.479 1.00 1.34 H new ATOM 0 HD2 PRO B 104 0.318 4.243 13.542 1.00 1.30 H new ATOM 0 HD3 PRO B 104 1.868 5.046 13.379 1.00 1.30 H new ATOM 2105 N MET B 105 -0.016 1.440 10.923 1.00 1.03 N ATOM 2106 CA MET B 105 -0.877 0.574 10.123 1.00 1.01 C ATOM 2107 C MET B 105 -0.271 0.345 8.738 1.00 1.00 C ATOM 2108 O MET B 105 -0.499 -0.686 8.107 1.00 1.03 O ATOM 2109 CB MET B 105 -2.278 1.180 9.986 1.00 1.05 C ATOM 2110 CG MET B 105 -3.293 0.227 9.372 1.00 1.03 C ATOM 2111 SD MET B 105 -4.833 1.044 8.905 1.00 1.43 S ATOM 2112 CE MET B 105 -5.287 1.819 10.451 1.00 1.60 C ATOM 0 H MET B 105 -0.425 2.346 11.153 1.00 1.03 H new ATOM 0 HA MET B 105 -0.959 -0.385 10.634 1.00 1.01 H new ATOM 0 HB2 MET B 105 -2.630 1.488 10.970 1.00 1.05 H new ATOM 0 HB3 MET B 105 -2.218 2.079 9.373 1.00 1.05 H new ATOM 0 HG2 MET B 105 -2.856 -0.243 8.491 1.00 1.03 H new ATOM 0 HG3 MET B 105 -3.512 -0.570 10.083 1.00 1.03 H new ATOM 0 HE1 MET B 105 -6.273 2.275 10.354 1.00 1.60 H new ATOM 0 HE2 MET B 105 -5.310 1.069 11.241 1.00 1.60 H new ATOM 0 HE3 MET B 105 -4.555 2.587 10.702 1.00 1.60 H new ATOM 2122 N PHE B 106 0.530 1.303 8.285 1.00 1.00 N ATOM 2123 CA PHE B 106 1.169 1.216 6.977 1.00 1.03 C ATOM 2124 C PHE B 106 2.360 0.264 7.003 1.00 0.99 C ATOM 2125 O PHE B 106 2.908 -0.076 5.955 1.00 0.98 O ATOM 2126 CB PHE B 106 1.630 2.599 6.516 1.00 1.06 C ATOM 2127 CG PHE B 106 0.589 3.352 5.739 1.00 1.38 C ATOM 2128 CD1 PHE B 106 0.336 3.039 4.411 1.00 1.92 C ATOM 2129 CD2 PHE B 106 -0.133 4.374 6.332 1.00 1.72 C ATOM 2130 CE1 PHE B 106 -0.620 3.731 3.693 1.00 2.44 C ATOM 2131 CE2 PHE B 106 -1.090 5.070 5.616 1.00 2.20 C ATOM 2132 CZ PHE B 106 -1.334 4.746 4.296 1.00 2.46 C ATOM 0 H PHE B 106 0.753 2.151 8.806 1.00 1.00 H new ATOM 0 HA PHE B 106 0.431 0.827 6.276 1.00 1.03 H new ATOM 0 HB2 PHE B 106 1.916 3.187 7.388 1.00 1.06 H new ATOM 0 HB3 PHE B 106 2.522 2.489 5.900 1.00 1.06 H new ATOM 0 HD1 PHE B 106 0.892 2.246 3.934 1.00 1.92 H new ATOM 0 HD2 PHE B 106 0.053 4.630 7.364 1.00 1.72 H new ATOM 0 HE1 PHE B 106 -0.808 3.478 2.660 1.00 2.44 H new ATOM 0 HE2 PHE B 106 -1.646 5.866 6.089 1.00 2.20 H new ATOM 0 HZ PHE B 106 -2.083 5.287 3.736 1.00 2.46 H new ATOM 2142 N LEU B 107 2.742 -0.171 8.200 1.00 1.00 N ATOM 2143 CA LEU B 107 3.874 -1.076 8.364 1.00 0.97 C ATOM 2144 C LEU B 107 3.622 -2.399 7.642 1.00 0.99 C ATOM 2145 O LEU B 107 4.559 -3.062 7.207 1.00 0.90 O ATOM 2146 CB LEU B 107 4.136 -1.340 9.849 1.00 1.00 C ATOM 2147 CG LEU B 107 5.591 -1.641 10.220 1.00 0.99 C ATOM 2148 CD1 LEU B 107 6.301 -0.372 10.660 1.00 0.98 C ATOM 2149 CD2 LEU B 107 5.655 -2.698 11.314 1.00 1.10 C ATOM 0 H LEU B 107 2.283 0.090 9.073 1.00 1.00 H new ATOM 0 HA LEU B 107 4.751 -0.600 7.925 1.00 0.97 H new ATOM 0 HB2 LEU B 107 3.807 -0.470 10.418 1.00 1.00 H new ATOM 0 HB3 LEU B 107 3.518 -2.180 10.165 1.00 1.00 H new ATOM 0 HG LEU B 107 6.099 -2.030 9.337 1.00 0.99 H new ATOM 0 HD11 LEU B 107 7.334 -0.604 10.920 1.00 0.98 H new ATOM 0 HD12 LEU B 107 6.286 0.354 9.847 1.00 0.98 H new ATOM 0 HD13 LEU B 107 5.793 0.046 11.529 1.00 0.98 H new ATOM 0 HD21 LEU B 107 6.696 -2.899 11.565 1.00 1.10 H new ATOM 0 HD22 LEU B 107 5.132 -2.337 12.199 1.00 1.10 H new ATOM 0 HD23 LEU B 107 5.183 -3.615 10.962 1.00 1.10 H new ATOM 2161 N ASP B 108 2.354 -2.767 7.502 1.00 1.16 N ATOM 2162 CA ASP B 108 1.987 -4.013 6.834 1.00 1.22 C ATOM 2163 C ASP B 108 2.312 -3.961 5.344 1.00 1.10 C ATOM 2164 O ASP B 108 3.089 -4.776 4.841 1.00 1.08 O ATOM 2165 CB ASP B 108 0.496 -4.309 7.025 1.00 1.48 C ATOM 2166 CG ASP B 108 0.007 -5.437 6.133 1.00 1.75 C ATOM 2167 OD1 ASP B 108 0.528 -6.566 6.261 1.00 2.08 O ATOM 2168 OD2 ASP B 108 -0.901 -5.201 5.309 1.00 2.33 O ATOM 0 H ASP B 108 1.562 -2.222 7.842 1.00 1.16 H new ATOM 0 HA ASP B 108 2.573 -4.812 7.288 1.00 1.22 H new ATOM 0 HB2 ASP B 108 0.311 -4.569 8.067 1.00 1.48 H new ATOM 0 HB3 ASP B 108 -0.080 -3.408 6.814 1.00 1.48 H new ATOM 2173 N GLN B 109 1.736 -2.979 4.655 1.00 1.14 N ATOM 2174 CA GLN B 109 1.929 -2.821 3.216 1.00 1.10 C ATOM 2175 C GLN B 109 3.404 -2.685 2.845 1.00 0.94 C ATOM 2176 O GLN B 109 3.869 -3.320 1.898 1.00 0.94 O ATOM 2177 CB GLN B 109 1.142 -1.612 2.698 1.00 1.23 C ATOM 2178 CG GLN B 109 0.263 -1.933 1.499 1.00 1.27 C ATOM 2179 CD GLN B 109 -0.548 -0.741 1.022 1.00 1.45 C ATOM 2180 OE1 GLN B 109 -0.103 0.405 1.073 1.00 1.58 O ATOM 2181 NE2 GLN B 109 -1.756 -1.003 0.553 1.00 1.98 N ATOM 0 H GLN B 109 1.127 -2.276 5.074 1.00 1.14 H new ATOM 0 HA GLN B 109 1.552 -3.726 2.740 1.00 1.10 H new ATOM 0 HB2 GLN B 109 0.518 -1.222 3.502 1.00 1.23 H new ATOM 0 HB3 GLN B 109 1.842 -0.822 2.425 1.00 1.23 H new ATOM 0 HG2 GLN B 109 0.889 -2.290 0.681 1.00 1.27 H new ATOM 0 HG3 GLN B 109 -0.415 -2.746 1.760 1.00 1.27 H new ATOM 0 HE21 GLN B 109 -2.095 -1.965 0.525 1.00 1.98 H new ATOM 0 HE22 GLN B 109 -2.349 -0.243 0.220 1.00 1.98 H new ATOM 2190 N VAL B 110 4.144 -1.879 3.593 1.00 0.88 N ATOM 2191 CA VAL B 110 5.554 -1.675 3.292 1.00 0.78 C ATOM 2192 C VAL B 110 6.386 -2.928 3.571 1.00 0.76 C ATOM 2193 O VAL B 110 7.240 -3.294 2.768 1.00 0.76 O ATOM 2194 CB VAL B 110 6.146 -0.464 4.051 1.00 0.70 C ATOM 2195 CG1 VAL B 110 5.505 0.825 3.567 1.00 0.74 C ATOM 2196 CG2 VAL B 110 5.977 -0.608 5.555 1.00 0.79 C ATOM 0 H VAL B 110 3.798 -1.362 4.402 1.00 0.88 H new ATOM 0 HA VAL B 110 5.605 -1.461 2.224 1.00 0.78 H new ATOM 0 HB VAL B 110 7.215 -0.430 3.841 1.00 0.70 H new ATOM 0 HG11 VAL B 110 5.931 1.669 4.109 1.00 0.74 H new ATOM 0 HG12 VAL B 110 5.693 0.947 2.500 1.00 0.74 H new ATOM 0 HG13 VAL B 110 4.430 0.785 3.743 1.00 0.74 H new ATOM 0 HG21 VAL B 110 6.405 0.261 6.054 1.00 0.79 H new ATOM 0 HG22 VAL B 110 4.917 -0.680 5.797 1.00 0.79 H new ATOM 0 HG23 VAL B 110 6.488 -1.509 5.894 1.00 0.79 H new ATOM 2206 N ALA B 111 6.117 -3.600 4.688 1.00 0.77 N ATOM 2207 CA ALA B 111 6.865 -4.801 5.050 1.00 0.77 C ATOM 2208 C ALA B 111 6.610 -5.931 4.060 1.00 0.82 C ATOM 2209 O ALA B 111 7.541 -6.626 3.654 1.00 0.80 O ATOM 2210 CB ALA B 111 6.523 -5.249 6.463 1.00 0.81 C ATOM 0 H ALA B 111 5.391 -3.335 5.354 1.00 0.77 H new ATOM 0 HA ALA B 111 7.925 -4.550 5.013 1.00 0.77 H new ATOM 0 HB1 ALA B 111 7.093 -6.145 6.709 1.00 0.81 H new ATOM 0 HB2 ALA B 111 6.773 -4.455 7.167 1.00 0.81 H new ATOM 0 HB3 ALA B 111 5.457 -5.468 6.527 1.00 0.81 H new ATOM 2216 N LYS B 112 5.350 -6.107 3.668 1.00 0.89 N ATOM 2217 CA LYS B 112 4.982 -7.160 2.728 1.00 0.96 C ATOM 2218 C LYS B 112 5.717 -6.981 1.402 1.00 0.96 C ATOM 2219 O LYS B 112 6.201 -7.953 0.815 1.00 1.00 O ATOM 2220 CB LYS B 112 3.468 -7.178 2.488 1.00 1.05 C ATOM 2221 CG LYS B 112 2.651 -7.612 3.699 1.00 1.15 C ATOM 2222 CD LYS B 112 3.039 -9.006 4.171 1.00 1.13 C ATOM 2223 CE LYS B 112 2.044 -9.557 5.182 1.00 1.18 C ATOM 2224 NZ LYS B 112 1.948 -8.712 6.400 1.00 1.69 N ATOM 0 H LYS B 112 4.569 -5.534 3.987 1.00 0.89 H new ATOM 0 HA LYS B 112 5.275 -8.114 3.167 1.00 0.96 H new ATOM 0 HB2 LYS B 112 3.147 -6.181 2.185 1.00 1.05 H new ATOM 0 HB3 LYS B 112 3.251 -7.849 1.657 1.00 1.05 H new ATOM 0 HG2 LYS B 112 2.797 -6.899 4.511 1.00 1.15 H new ATOM 0 HG3 LYS B 112 1.591 -7.595 3.447 1.00 1.15 H new ATOM 0 HD2 LYS B 112 3.096 -9.677 3.314 1.00 1.13 H new ATOM 0 HD3 LYS B 112 4.032 -8.975 4.618 1.00 1.13 H new ATOM 0 HE2 LYS B 112 1.061 -9.632 4.717 1.00 1.18 H new ATOM 0 HE3 LYS B 112 2.340 -10.567 5.466 1.00 1.18 H new ATOM 0 HZ1 LYS B 112 1.393 -9.210 7.125 1.00 1.69 H new ATOM 0 HZ2 LYS B 112 2.903 -8.520 6.766 1.00 1.69 H new ATOM 0 HZ3 LYS B 112 1.481 -7.813 6.163 1.00 1.69 H new ATOM 2238 N PHE B 113 5.807 -5.736 0.945 1.00 0.94 N ATOM 2239 CA PHE B 113 6.493 -5.427 -0.304 1.00 0.96 C ATOM 2240 C PHE B 113 7.978 -5.748 -0.176 1.00 0.90 C ATOM 2241 O PHE B 113 8.584 -6.327 -1.081 1.00 0.96 O ATOM 2242 CB PHE B 113 6.299 -3.951 -0.659 1.00 0.96 C ATOM 2243 CG PHE B 113 6.582 -3.630 -2.100 1.00 1.20 C ATOM 2244 CD1 PHE B 113 7.882 -3.428 -2.542 1.00 1.55 C ATOM 2245 CD2 PHE B 113 5.546 -3.528 -3.013 1.00 1.58 C ATOM 2246 CE1 PHE B 113 8.140 -3.136 -3.866 1.00 2.03 C ATOM 2247 CE2 PHE B 113 5.799 -3.234 -4.340 1.00 2.05 C ATOM 2248 CZ PHE B 113 7.098 -3.035 -4.766 1.00 2.21 C ATOM 0 H PHE B 113 5.413 -4.925 1.421 1.00 0.94 H new ATOM 0 HA PHE B 113 6.069 -6.037 -1.102 1.00 0.96 H new ATOM 0 HB2 PHE B 113 5.274 -3.663 -0.427 1.00 0.96 H new ATOM 0 HB3 PHE B 113 6.950 -3.347 -0.027 1.00 0.96 H new ATOM 0 HD1 PHE B 113 8.701 -3.500 -1.842 1.00 1.55 H new ATOM 0 HD2 PHE B 113 4.528 -3.680 -2.685 1.00 1.58 H new ATOM 0 HE1 PHE B 113 9.157 -2.987 -4.198 1.00 2.03 H new ATOM 0 HE2 PHE B 113 4.982 -3.160 -5.043 1.00 2.05 H new ATOM 0 HZ PHE B 113 7.298 -2.801 -5.801 1.00 2.21 H new ATOM 2258 N ILE B 114 8.553 -5.378 0.966 1.00 0.80 N ATOM 2259 CA ILE B 114 9.961 -5.625 1.239 1.00 0.77 C ATOM 2260 C ILE B 114 10.270 -7.120 1.186 1.00 0.82 C ATOM 2261 O ILE B 114 11.286 -7.536 0.626 1.00 0.84 O ATOM 2262 CB ILE B 114 10.366 -5.073 2.623 1.00 0.69 C ATOM 2263 CG1 ILE B 114 10.281 -3.548 2.640 1.00 0.69 C ATOM 2264 CG2 ILE B 114 11.769 -5.530 2.999 1.00 0.68 C ATOM 2265 CD1 ILE B 114 10.440 -2.949 4.023 1.00 0.63 C ATOM 0 H ILE B 114 8.058 -4.903 1.721 1.00 0.80 H new ATOM 0 HA ILE B 114 10.535 -5.109 0.469 1.00 0.77 H new ATOM 0 HB ILE B 114 9.668 -5.467 3.361 1.00 0.69 H new ATOM 0 HG12 ILE B 114 11.052 -3.142 1.986 1.00 0.69 H new ATOM 0 HG13 ILE B 114 9.320 -3.241 2.228 1.00 0.69 H new ATOM 0 HG21 ILE B 114 12.032 -5.129 3.978 1.00 0.68 H new ATOM 0 HG22 ILE B 114 11.800 -6.619 3.033 1.00 0.68 H new ATOM 0 HG23 ILE B 114 12.480 -5.170 2.256 1.00 0.68 H new ATOM 0 HD11 ILE B 114 10.369 -1.863 3.960 1.00 0.63 H new ATOM 0 HD12 ILE B 114 9.653 -3.327 4.676 1.00 0.63 H new ATOM 0 HD13 ILE B 114 11.413 -3.226 4.430 1.00 0.63 H new ATOM 2277 N ILE B 115 9.376 -7.916 1.759 1.00 0.86 N ATOM 2278 CA ILE B 115 9.544 -9.363 1.786 1.00 0.94 C ATOM 2279 C ILE B 115 9.593 -9.938 0.373 1.00 0.95 C ATOM 2280 O ILE B 115 10.421 -10.799 0.083 1.00 1.00 O ATOM 2281 CB ILE B 115 8.417 -10.058 2.585 1.00 1.00 C ATOM 2282 CG1 ILE B 115 8.394 -9.539 4.025 1.00 1.03 C ATOM 2283 CG2 ILE B 115 8.605 -11.570 2.574 1.00 1.07 C ATOM 2284 CD1 ILE B 115 7.240 -10.069 4.851 1.00 1.10 C ATOM 0 H ILE B 115 8.525 -7.583 2.212 1.00 0.86 H new ATOM 0 HA ILE B 115 10.493 -9.558 2.286 1.00 0.94 H new ATOM 0 HB ILE B 115 7.464 -9.826 2.110 1.00 1.00 H new ATOM 0 HG12 ILE B 115 9.331 -9.808 4.513 1.00 1.03 H new ATOM 0 HG13 ILE B 115 8.345 -8.450 4.008 1.00 1.03 H new ATOM 0 HG21 ILE B 115 7.802 -12.041 3.141 1.00 1.07 H new ATOM 0 HG22 ILE B 115 8.583 -11.932 1.546 1.00 1.07 H new ATOM 0 HG23 ILE B 115 9.564 -11.821 3.027 1.00 1.07 H new ATOM 0 HD11 ILE B 115 7.293 -9.656 5.858 1.00 1.10 H new ATOM 0 HD12 ILE B 115 6.297 -9.777 4.388 1.00 1.10 H new ATOM 0 HD13 ILE B 115 7.298 -11.156 4.902 1.00 1.10 H new ATOM 2296 N ASP B 116 8.730 -9.443 -0.514 1.00 0.93 N ATOM 2297 CA ASP B 116 8.700 -9.952 -1.886 1.00 0.97 C ATOM 2298 C ASP B 116 9.937 -9.541 -2.666 1.00 0.95 C ATOM 2299 O ASP B 116 10.378 -10.273 -3.550 1.00 0.96 O ATOM 2300 CB ASP B 116 7.452 -9.508 -2.648 1.00 1.05 C ATOM 2301 CG ASP B 116 7.216 -10.397 -3.857 1.00 1.19 C ATOM 2302 OD1 ASP B 116 7.035 -11.617 -3.661 1.00 1.25 O ATOM 2303 OD2 ASP B 116 7.227 -9.900 -5.002 1.00 1.38 O ATOM 0 H ASP B 116 8.055 -8.705 -0.314 1.00 0.93 H new ATOM 0 HA ASP B 116 8.678 -11.038 -1.797 1.00 0.97 H new ATOM 0 HB2 ASP B 116 6.585 -9.545 -1.989 1.00 1.05 H new ATOM 0 HB3 ASP B 116 7.565 -8.472 -2.968 1.00 1.05 H new ATOM 2308 N ASN B 117 10.496 -8.381 -2.344 1.00 0.93 N ATOM 2309 CA ASN B 117 11.696 -7.895 -3.022 1.00 0.92 C ATOM 2310 C ASN B 117 12.814 -8.928 -2.929 1.00 0.91 C ATOM 2311 O ASN B 117 13.542 -9.164 -3.893 1.00 0.93 O ATOM 2312 CB ASN B 117 12.161 -6.567 -2.409 1.00 0.90 C ATOM 2313 CG ASN B 117 13.544 -6.153 -2.889 1.00 0.96 C ATOM 2314 OD1 ASN B 117 13.688 -5.537 -3.943 1.00 1.13 O ATOM 2315 ND2 ASN B 117 14.571 -6.488 -2.120 1.00 0.90 N ATOM 0 H ASN B 117 10.140 -7.758 -1.619 1.00 0.93 H new ATOM 0 HA ASN B 117 11.452 -7.731 -4.072 1.00 0.92 H new ATOM 0 HB2 ASN B 117 11.444 -5.785 -2.660 1.00 0.90 H new ATOM 0 HB3 ASN B 117 12.169 -6.656 -1.323 1.00 0.90 H new ATOM 0 HD21 ASN B 117 15.519 -6.234 -2.397 1.00 0.90 H new ATOM 0 HD22 ASN B 117 14.413 -6.999 -1.252 1.00 0.90 H new ATOM 2322 N THR B 118 12.920 -9.562 -1.770 1.00 0.91 N ATOM 2323 CA THR B 118 13.944 -10.566 -1.535 1.00 0.93 C ATOM 2324 C THR B 118 13.352 -11.980 -1.564 1.00 0.95 C ATOM 2325 O THR B 118 13.944 -12.925 -1.043 1.00 0.99 O ATOM 2326 CB THR B 118 14.630 -10.306 -0.179 1.00 0.89 C ATOM 2327 OG1 THR B 118 14.510 -8.912 0.159 1.00 0.98 O ATOM 2328 CG2 THR B 118 16.101 -10.689 -0.228 1.00 1.04 C ATOM 0 H THR B 118 12.304 -9.396 -0.974 1.00 0.91 H new ATOM 0 HA THR B 118 14.682 -10.494 -2.334 1.00 0.93 H new ATOM 0 HB THR B 118 14.139 -10.918 0.578 1.00 0.89 H new ATOM 0 HG1 THR B 118 15.000 -8.733 0.989 1.00 0.98 H new ATOM 0 HG21 THR B 118 16.560 -10.495 0.742 1.00 1.04 H new ATOM 0 HG22 THR B 118 16.193 -11.748 -0.468 1.00 1.04 H new ATOM 0 HG23 THR B 118 16.605 -10.098 -0.993 1.00 1.04 H new ATOM 2336 N LYS B 119 12.189 -12.121 -2.192 1.00 1.14 N ATOM 2337 CA LYS B 119 11.518 -13.416 -2.292 1.00 1.18 C ATOM 2338 C LYS B 119 11.180 -13.735 -3.749 1.00 1.25 C ATOM 2339 O LYS B 119 11.490 -14.817 -4.245 1.00 1.18 O ATOM 2340 CB LYS B 119 10.252 -13.427 -1.423 1.00 1.16 C ATOM 2341 CG LYS B 119 9.142 -14.346 -1.919 1.00 1.26 C ATOM 2342 CD LYS B 119 8.074 -14.559 -0.857 1.00 1.11 C ATOM 2343 CE LYS B 119 7.338 -13.269 -0.516 1.00 1.63 C ATOM 2344 NZ LYS B 119 6.236 -12.976 -1.474 1.00 2.10 N ATOM 0 H LYS B 119 11.689 -11.353 -2.641 1.00 1.14 H new ATOM 0 HA LYS B 119 12.194 -14.188 -1.925 1.00 1.18 H new ATOM 0 HB2 LYS B 119 10.526 -13.725 -0.411 1.00 1.16 H new ATOM 0 HB3 LYS B 119 9.862 -12.411 -1.361 1.00 1.16 H new ATOM 0 HG2 LYS B 119 8.687 -13.918 -2.812 1.00 1.26 H new ATOM 0 HG3 LYS B 119 9.567 -15.308 -2.207 1.00 1.26 H new ATOM 0 HD2 LYS B 119 7.358 -15.302 -1.208 1.00 1.11 H new ATOM 0 HD3 LYS B 119 8.535 -14.962 0.045 1.00 1.11 H new ATOM 0 HE2 LYS B 119 6.930 -13.342 0.492 1.00 1.63 H new ATOM 0 HE3 LYS B 119 8.045 -12.440 -0.515 1.00 1.63 H new ATOM 0 HZ1 LYS B 119 5.611 -12.248 -1.072 1.00 2.10 H new ATOM 0 HZ2 LYS B 119 6.637 -12.632 -2.370 1.00 2.10 H new ATOM 0 HZ3 LYS B 119 5.689 -13.843 -1.650 1.00 2.10 H new ATOM 2358 N GLY B 120 10.551 -12.781 -4.425 1.00 1.50 N ATOM 2359 CA GLY B 120 10.186 -12.961 -5.816 1.00 1.61 C ATOM 2360 C GLY B 120 8.982 -13.859 -6.002 1.00 1.60 C ATOM 2361 O GLY B 120 9.074 -14.904 -6.641 1.00 1.81 O ATOM 0 H GLY B 120 10.286 -11.879 -4.030 1.00 1.50 H new ATOM 0 HA2 GLY B 120 9.978 -11.987 -6.260 1.00 1.61 H new ATOM 0 HA3 GLY B 120 11.033 -13.383 -6.356 1.00 1.61 H new ATOM 2365 N GLN B 121 7.843 -13.443 -5.468 1.00 1.41 N ATOM 2366 CA GLN B 121 6.622 -14.225 -5.583 1.00 1.44 C ATOM 2367 C GLN B 121 5.527 -13.418 -6.272 1.00 1.31 C ATOM 2368 O GLN B 121 4.757 -13.951 -7.069 1.00 1.43 O ATOM 2369 CB GLN B 121 6.157 -14.670 -4.197 1.00 1.40 C ATOM 2370 CG GLN B 121 5.065 -15.723 -4.210 1.00 1.46 C ATOM 2371 CD GLN B 121 4.673 -16.143 -2.810 1.00 1.55 C ATOM 2372 OE1 GLN B 121 4.746 -15.345 -1.871 1.00 1.64 O ATOM 2373 NE2 GLN B 121 4.279 -17.395 -2.652 1.00 2.11 N ATOM 0 H GLN B 121 7.739 -12.570 -4.952 1.00 1.41 H new ATOM 0 HA GLN B 121 6.830 -15.106 -6.190 1.00 1.44 H new ATOM 0 HB2 GLN B 121 7.014 -15.060 -3.647 1.00 1.40 H new ATOM 0 HB3 GLN B 121 5.798 -13.798 -3.651 1.00 1.40 H new ATOM 0 HG2 GLN B 121 4.190 -15.333 -4.731 1.00 1.46 H new ATOM 0 HG3 GLN B 121 5.407 -16.594 -4.769 1.00 1.46 H new ATOM 0 HE21 GLN B 121 4.233 -18.021 -3.456 1.00 2.11 H new ATOM 0 HE22 GLN B 121 4.021 -17.735 -1.726 1.00 2.11 H new ATOM 2382 N MET B 122 5.465 -12.130 -5.956 1.00 1.11 N ATOM 2383 CA MET B 122 4.467 -11.248 -6.541 1.00 1.05 C ATOM 2384 C MET B 122 5.038 -10.506 -7.744 1.00 1.07 C ATOM 2385 O MET B 122 4.486 -10.567 -8.843 1.00 1.09 O ATOM 2386 CB MET B 122 3.956 -10.240 -5.502 1.00 1.10 C ATOM 2387 CG MET B 122 2.979 -10.830 -4.496 1.00 0.99 C ATOM 2388 SD MET B 122 3.773 -11.915 -3.289 1.00 1.81 S ATOM 2389 CE MET B 122 2.345 -12.543 -2.407 1.00 1.92 C ATOM 0 H MET B 122 6.096 -11.674 -5.297 1.00 1.11 H new ATOM 0 HA MET B 122 3.632 -11.864 -6.874 1.00 1.05 H new ATOM 0 HB2 MET B 122 4.808 -9.824 -4.965 1.00 1.10 H new ATOM 0 HB3 MET B 122 3.472 -9.413 -6.021 1.00 1.10 H new ATOM 0 HG2 MET B 122 2.474 -10.019 -3.970 1.00 0.99 H new ATOM 0 HG3 MET B 122 2.211 -11.390 -5.030 1.00 0.99 H new ATOM 0 HE1 MET B 122 2.673 -13.230 -1.626 1.00 1.92 H new ATOM 0 HE2 MET B 122 1.802 -11.713 -1.956 1.00 1.92 H new ATOM 0 HE3 MET B 122 1.691 -13.069 -3.102 1.00 1.92 H new ATOM 2399 N LEU B 123 6.147 -9.808 -7.538 1.00 1.19 N ATOM 2400 CA LEU B 123 6.772 -9.049 -8.615 1.00 1.33 C ATOM 2401 C LEU B 123 7.956 -9.790 -9.222 1.00 1.36 C ATOM 2402 O LEU B 123 8.192 -9.713 -10.428 1.00 1.48 O ATOM 2403 CB LEU B 123 7.215 -7.672 -8.114 1.00 1.57 C ATOM 2404 CG LEU B 123 6.093 -6.643 -7.961 1.00 1.57 C ATOM 2405 CD1 LEU B 123 6.633 -5.359 -7.359 1.00 1.82 C ATOM 2406 CD2 LEU B 123 5.437 -6.362 -9.305 1.00 1.59 C ATOM 0 H LEU B 123 6.630 -9.751 -6.642 1.00 1.19 H new ATOM 0 HA LEU B 123 6.024 -8.923 -9.397 1.00 1.33 H new ATOM 0 HB2 LEU B 123 7.707 -7.795 -7.149 1.00 1.57 H new ATOM 0 HB3 LEU B 123 7.960 -7.274 -8.804 1.00 1.57 H new ATOM 0 HG LEU B 123 5.339 -7.053 -7.289 1.00 1.57 H new ATOM 0 HD11 LEU B 123 5.823 -4.637 -7.256 1.00 1.82 H new ATOM 0 HD12 LEU B 123 7.059 -5.568 -6.378 1.00 1.82 H new ATOM 0 HD13 LEU B 123 7.405 -4.949 -8.010 1.00 1.82 H new ATOM 0 HD21 LEU B 123 4.642 -5.628 -9.175 1.00 1.59 H new ATOM 0 HD22 LEU B 123 6.182 -5.972 -9.999 1.00 1.59 H new ATOM 0 HD23 LEU B 123 5.017 -7.285 -9.705 1.00 1.59 H new ATOM 2418 N GLY B 124 8.696 -10.508 -8.390 1.00 1.44 N ATOM 2419 CA GLY B 124 9.853 -11.245 -8.872 1.00 1.48 C ATOM 2420 C GLY B 124 9.479 -12.389 -9.793 1.00 1.77 C ATOM 2421 O GLY B 124 9.940 -12.445 -10.934 1.00 2.49 O ATOM 0 H GLY B 124 8.519 -10.595 -7.389 1.00 1.44 H new ATOM 0 HA2 GLY B 124 10.519 -10.562 -9.400 1.00 1.48 H new ATOM 0 HA3 GLY B 124 10.409 -11.637 -8.020 1.00 1.48 H new ATOM 2425 N LEU B 125 8.649 -13.302 -9.288 1.00 1.39 N ATOM 2426 CA LEU B 125 8.186 -14.464 -10.049 1.00 1.59 C ATOM 2427 C LEU B 125 9.352 -15.365 -10.465 1.00 1.56 C ATOM 2428 O LEU B 125 9.740 -16.265 -9.723 1.00 1.53 O ATOM 2429 CB LEU B 125 7.376 -14.025 -11.277 1.00 1.94 C ATOM 2430 CG LEU B 125 6.096 -13.243 -10.966 1.00 1.48 C ATOM 2431 CD1 LEU B 125 5.500 -12.667 -12.238 1.00 1.69 C ATOM 2432 CD2 LEU B 125 5.084 -14.133 -10.261 1.00 1.63 C ATOM 0 H LEU B 125 8.278 -13.257 -8.339 1.00 1.39 H new ATOM 0 HA LEU B 125 7.535 -15.045 -9.396 1.00 1.59 H new ATOM 0 HB2 LEU B 125 8.013 -13.410 -11.912 1.00 1.94 H new ATOM 0 HB3 LEU B 125 7.111 -14.911 -11.854 1.00 1.94 H new ATOM 0 HG LEU B 125 6.352 -12.418 -10.301 1.00 1.48 H new ATOM 0 HD11 LEU B 125 4.592 -12.115 -11.997 1.00 1.69 H new ATOM 0 HD12 LEU B 125 6.220 -11.995 -12.705 1.00 1.69 H new ATOM 0 HD13 LEU B 125 5.260 -13.477 -12.927 1.00 1.69 H new ATOM 0 HD21 LEU B 125 4.181 -13.560 -10.048 1.00 1.63 H new ATOM 0 HD22 LEU B 125 4.834 -14.979 -10.902 1.00 1.63 H new ATOM 0 HD23 LEU B 125 5.510 -14.499 -9.327 1.00 1.63 H new ATOM 2444 N GLY B 126 9.916 -15.107 -11.645 1.00 2.19 N ATOM 2445 CA GLY B 126 11.029 -15.901 -12.138 1.00 2.27 C ATOM 2446 C GLY B 126 10.624 -17.322 -12.476 1.00 2.45 C ATOM 2447 O GLY B 126 11.417 -18.252 -12.332 1.00 2.74 O ATOM 0 H GLY B 126 9.619 -14.358 -12.270 1.00 2.19 H new ATOM 0 HA2 GLY B 126 11.446 -15.425 -13.025 1.00 2.27 H new ATOM 0 HA3 GLY B 126 11.818 -15.921 -11.386 1.00 2.27 H new ATOM 2451 N ASN B 127 9.389 -17.486 -12.929 1.00 2.74 N ATOM 2452 CA ASN B 127 8.874 -18.800 -13.285 1.00 3.06 C ATOM 2453 C ASN B 127 9.369 -19.219 -14.668 1.00 4.10 C ATOM 2454 O ASN B 127 9.132 -18.525 -15.659 1.00 4.81 O ATOM 2455 CB ASN B 127 7.337 -18.810 -13.231 1.00 3.42 C ATOM 2456 CG ASN B 127 6.695 -17.757 -14.117 1.00 4.44 C ATOM 2457 OD1 ASN B 127 6.720 -16.561 -13.804 1.00 4.51 O ATOM 2458 ND2 ASN B 127 6.098 -18.188 -15.219 1.00 5.34 N ATOM 0 H ASN B 127 8.724 -16.723 -13.059 1.00 2.74 H new ATOM 0 HA ASN B 127 9.247 -19.522 -12.559 1.00 3.06 H new ATOM 0 HB2 ASN B 127 6.977 -19.794 -13.530 1.00 3.42 H new ATOM 0 HB3 ASN B 127 7.016 -18.652 -12.201 1.00 3.42 H new ATOM 0 HD21 ASN B 127 5.638 -17.525 -15.843 1.00 5.34 H new ATOM 0 HD22 ASN B 127 6.099 -19.183 -15.444 1.00 5.34 H new ATOM 2465 N PRO B 128 10.107 -20.340 -14.741 1.00 4.39 N ATOM 2466 CA PRO B 128 10.630 -20.862 -16.003 1.00 5.57 C ATOM 2467 C PRO B 128 9.515 -21.246 -16.968 1.00 6.29 C ATOM 2468 O PRO B 128 8.408 -21.577 -16.499 1.00 6.27 O ATOM 2469 CB PRO B 128 11.421 -22.110 -15.596 1.00 5.65 C ATOM 2470 CG PRO B 128 11.654 -21.976 -14.131 1.00 4.63 C ATOM 2471 CD PRO B 128 10.506 -21.173 -13.595 1.00 3.74 C ATOM 2472 OXT PRO B 128 9.758 -21.230 -18.192 1.00 7.06 O ATOM 0 HA PRO B 128 11.232 -20.117 -16.523 1.00 5.57 H new ATOM 0 HB2 PRO B 128 10.863 -23.019 -15.823 1.00 5.65 H new ATOM 0 HB3 PRO B 128 12.364 -22.171 -16.139 1.00 5.65 H new ATOM 0 HG2 PRO B 128 11.701 -22.955 -13.653 1.00 4.63 H new ATOM 0 HG3 PRO B 128 12.603 -21.479 -13.932 1.00 4.63 H new ATOM 0 HD2 PRO B 128 9.690 -21.813 -13.260 1.00 3.74 H new ATOM 0 HD3 PRO B 128 10.805 -20.565 -12.741 1.00 3.74 H new TER 2480 PRO B 128