USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 53 GLN : amide:sc= -1.66 K(o=-4.4,f=-1.7) USER MOD Set 2.2: A 72 ASN : amide:sc= -2.75 K(o=-4.4,f=-1.7!) USER MOD Set 3.1: A 38 SER OG : rot 180:sc= 0.0666 USER MOD Set 3.2: A 41 THR OG1 : rot 84:sc= 0.0714 USER MOD Set 4.1: A 13 MET CE :methyl -154:sc= -0.231 (180deg=-1.11) USER MOD Set 4.2: A 35 SER OG : rot 91:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0955 (180deg=-0.512) USER MOD Single : A 4 ASN : amide:sc= -1.21 K(o=-1.2,f=-10!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.4!) USER MOD Single : A 8 TYR OH : rot 15:sc= -0.0271 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= 1.26 (180deg=0.051) USER MOD Single : A 17 ASN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 CYS SG : rot -140:sc= 0.00587 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.85! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 28 TYR OH : rot 129:sc= 0.563 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 68:sc= 0.357 USER MOD Single : A 33 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 151:sc= 0 (180deg=-1.48) USER MOD Single : A 40 SER OG : rot 180:sc=0.000959 USER MOD Single : A 45 SER OG : rot -79:sc= 1.08 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -106:sc= 1.08 (180deg=-0.0249) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00182 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00661) USER MOD Single : A 66 THR OG1 : rot 33:sc= -1.17! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.517 35.317 31.004 1.00 0.00 N1+ ATOM 2 CA MET A 1 18.160 34.866 30.710 1.00 0.00 C ATOM 3 C MET A 1 18.097 33.357 30.460 1.00 0.00 C ATOM 4 O MET A 1 17.433 32.633 31.202 1.00 0.00 O ATOM 5 CB MET A 1 17.591 35.627 29.508 1.00 0.00 C ATOM 6 CG MET A 1 16.254 35.095 29.018 1.00 0.00 C ATOM 7 SD MET A 1 14.989 35.097 30.303 1.00 0.00 S ATOM 8 CE MET A 1 14.913 36.842 30.701 1.00 0.00 C ATOM 0 H1 MET A 1 19.514 36.344 31.167 1.00 0.00 H new ATOM 0 H2 MET A 1 19.867 34.833 31.855 1.00 0.00 H new ATOM 0 H3 MET A 1 20.138 35.096 30.200 1.00 0.00 H new ATOM 0 HA MET A 1 17.551 35.078 31.589 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.476 36.677 29.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.310 35.584 28.690 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.913 35.700 28.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.386 34.079 28.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.991 37.052 31.244 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.768 37.111 31.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.933 37.426 29.781 1.00 0.00 H new ATOM 20 N ALA A 2 18.782 32.880 29.422 1.00 0.00 N ATOM 21 CA ALA A 2 18.780 31.458 29.106 1.00 0.00 C ATOM 22 C ALA A 2 20.199 30.884 29.215 1.00 0.00 C ATOM 23 O ALA A 2 21.139 31.461 28.668 1.00 0.00 O ATOM 24 CB ALA A 2 18.231 31.236 27.705 1.00 0.00 C ATOM 0 H ALA A 2 19.341 33.455 28.791 1.00 0.00 H new ATOM 0 HA ALA A 2 18.141 30.942 29.822 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.234 30.170 27.478 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.211 31.616 27.649 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.854 31.762 26.982 1.00 0.00 H new ATOM 30 N VAL A 3 20.362 29.759 29.913 1.00 0.00 N ATOM 31 CA VAL A 3 21.673 29.142 30.067 1.00 0.00 C ATOM 32 C VAL A 3 21.539 27.626 29.982 1.00 0.00 C ATOM 33 O VAL A 3 21.272 26.961 30.982 1.00 0.00 O ATOM 34 CB VAL A 3 22.320 29.509 31.415 1.00 0.00 C ATOM 35 CG1 VAL A 3 22.776 30.960 31.412 1.00 0.00 C ATOM 36 CG2 VAL A 3 21.353 29.243 32.557 1.00 0.00 C ATOM 0 H VAL A 3 19.603 29.261 30.378 1.00 0.00 H new ATOM 0 HA VAL A 3 22.310 29.516 29.265 1.00 0.00 H new ATOM 0 HB VAL A 3 23.199 28.881 31.562 1.00 0.00 H new ATOM 0 HG11 VAL A 3 23.231 31.201 32.373 1.00 0.00 H new ATOM 0 HG12 VAL A 3 23.507 31.110 30.617 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.918 31.611 31.244 1.00 0.00 H new ATOM 0 HG21 VAL A 3 21.826 29.508 33.503 1.00 0.00 H new ATOM 0 HG22 VAL A 3 20.454 29.844 32.420 1.00 0.00 H new ATOM 0 HG23 VAL A 3 21.085 28.187 32.568 1.00 0.00 H new ATOM 46 N ASN A 4 21.727 27.085 28.783 1.00 0.00 N ATOM 47 CA ASN A 4 21.615 25.646 28.569 1.00 0.00 C ATOM 48 C ASN A 4 22.747 24.906 29.317 1.00 0.00 C ATOM 49 O ASN A 4 23.886 25.374 29.357 1.00 0.00 O ATOM 50 CB ASN A 4 21.777 25.316 27.085 1.00 0.00 C ATOM 51 CG ASN A 4 21.584 23.840 26.795 1.00 0.00 C ATOM 52 OD1 ASN A 4 21.329 23.047 27.701 1.00 0.00 O ATOM 53 ND2 ASN A 4 21.703 23.466 25.527 1.00 0.00 N ATOM 0 H ASN A 4 21.957 27.620 27.946 1.00 0.00 H new ATOM 0 HA ASN A 4 20.636 25.334 28.933 1.00 0.00 H new ATOM 0 HB2 ASN A 4 21.056 25.894 26.507 1.00 0.00 H new ATOM 0 HB3 ASN A 4 22.770 25.621 26.754 1.00 0.00 H new ATOM 0 HD21 ASN A 4 21.582 22.486 25.271 1.00 0.00 H new ATOM 0 HD22 ASN A 4 21.915 24.158 24.809 1.00 0.00 H new ATOM 60 N LYS A 5 22.428 23.755 29.906 1.00 0.00 N ATOM 61 CA LYS A 5 23.364 23.027 30.727 1.00 0.00 C ATOM 62 C LYS A 5 24.206 22.065 29.874 1.00 0.00 C ATOM 63 O LYS A 5 25.037 21.321 30.396 1.00 0.00 O ATOM 64 CB LYS A 5 22.681 22.252 31.847 1.00 0.00 C ATOM 65 CG LYS A 5 22.032 23.128 32.908 1.00 0.00 C ATOM 66 CD LYS A 5 21.346 22.303 33.985 1.00 0.00 C ATOM 67 CE LYS A 5 20.723 23.191 35.050 1.00 0.00 C ATOM 68 NZ LYS A 5 20.025 22.401 36.103 1.00 0.00 N1+ ATOM 0 H LYS A 5 21.514 23.311 29.821 1.00 0.00 H new ATOM 0 HA LYS A 5 24.014 23.772 31.187 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.920 21.603 31.413 1.00 0.00 H new ATOM 0 HB3 LYS A 5 23.416 21.605 32.326 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.789 23.764 33.366 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.303 23.788 32.437 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.575 21.679 33.532 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.069 21.631 34.447 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.499 23.802 35.511 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.015 23.875 34.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.616 23.047 36.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.267 21.837 35.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.705 21.767 36.569 1.00 0.00 H new ATOM 82 N ASN A 6 23.974 22.078 28.566 1.00 0.00 N ATOM 83 CA ASN A 6 24.727 21.185 27.678 1.00 0.00 C ATOM 84 C ASN A 6 26.016 21.862 27.166 1.00 0.00 C ATOM 85 O ASN A 6 27.113 21.387 27.437 1.00 0.00 O ATOM 86 CB ASN A 6 23.817 20.688 26.541 1.00 0.00 C ATOM 87 CG ASN A 6 24.474 19.548 25.788 1.00 0.00 C ATOM 88 OD1 ASN A 6 25.232 18.780 26.359 1.00 0.00 O ATOM 89 ND2 ASN A 6 24.221 19.399 24.513 1.00 0.00 N ATOM 0 H ASN A 6 23.291 22.677 28.102 1.00 0.00 H new ATOM 0 HA ASN A 6 25.052 20.310 28.240 1.00 0.00 H new ATOM 0 HB2 ASN A 6 22.862 20.357 26.951 1.00 0.00 H new ATOM 0 HB3 ASN A 6 23.603 21.508 25.855 1.00 0.00 H new ATOM 0 HD21 ASN A 6 24.658 18.639 23.992 1.00 0.00 H new ATOM 0 HD22 ASN A 6 23.587 20.043 24.040 1.00 0.00 H new ATOM 96 N GLU A 7 25.908 23.010 26.483 1.00 0.00 N ATOM 97 CA GLU A 7 27.077 23.759 25.985 1.00 0.00 C ATOM 98 C GLU A 7 27.708 24.652 27.064 1.00 0.00 C ATOM 99 O GLU A 7 28.912 24.593 27.314 1.00 0.00 O ATOM 100 CB GLU A 7 26.700 24.639 24.780 1.00 0.00 C ATOM 101 CG GLU A 7 26.427 23.847 23.499 1.00 0.00 C ATOM 102 CD GLU A 7 25.074 23.135 23.515 1.00 0.00 C ATOM 103 OE1 GLU A 7 24.032 23.826 23.469 1.00 0.00 O ATOM 104 OE2 GLU A 7 25.047 21.882 23.548 1.00 0.00 O ATOM 0 H GLU A 7 25.014 23.446 26.259 1.00 0.00 H new ATOM 0 HA GLU A 7 27.807 23.007 25.686 1.00 0.00 H new ATOM 0 HB2 GLU A 7 25.814 25.223 25.031 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.507 25.348 24.593 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.466 24.523 22.645 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.218 23.110 23.358 1.00 0.00 H new ATOM 111 N TYR A 8 26.887 25.474 27.725 1.00 0.00 N ATOM 112 CA TYR A 8 27.268 26.405 28.795 1.00 0.00 C ATOM 113 C TYR A 8 27.869 25.700 30.003 1.00 0.00 C ATOM 114 O TYR A 8 28.562 26.358 30.770 1.00 0.00 O ATOM 115 CB TYR A 8 26.076 27.300 29.185 1.00 0.00 C ATOM 116 CG TYR A 8 26.498 28.653 29.717 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.760 29.694 28.808 1.00 0.00 C ATOM 118 CD2 TYR A 8 26.703 28.853 31.097 1.00 0.00 C ATOM 119 CE1 TYR A 8 27.276 30.916 29.270 1.00 0.00 C ATOM 120 CE2 TYR A 8 27.234 30.075 31.562 1.00 0.00 C ATOM 121 CZ TYR A 8 27.544 31.098 30.637 1.00 0.00 C ATOM 122 OH TYR A 8 28.154 32.243 31.027 1.00 0.00 O ATOM 0 H TYR A 8 25.889 25.511 27.519 1.00 0.00 H new ATOM 0 HA TYR A 8 28.058 27.044 28.401 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.436 27.442 28.314 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.478 26.790 29.940 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.564 29.554 27.755 1.00 0.00 H new ATOM 0 HD2 TYR A 8 26.454 28.071 31.799 1.00 0.00 H new ATOM 0 HE1 TYR A 8 27.467 31.718 28.572 1.00 0.00 H new ATOM 0 HE2 TYR A 8 27.402 30.228 32.618 1.00 0.00 H new ATOM 0 HH TYR A 8 28.112 32.900 30.301 1.00 0.00 H new ATOM 132 N LYS A 9 27.733 24.369 30.116 1.00 0.00 N ATOM 133 CA LYS A 9 28.460 23.545 31.095 1.00 0.00 C ATOM 134 C LYS A 9 29.956 23.911 31.144 1.00 0.00 C ATOM 135 O LYS A 9 30.533 24.018 32.219 1.00 0.00 O ATOM 136 CB LYS A 9 28.301 22.053 30.733 1.00 0.00 C ATOM 137 CG LYS A 9 27.963 21.189 31.958 1.00 0.00 C ATOM 138 CD LYS A 9 27.713 19.728 31.544 1.00 0.00 C ATOM 139 CE LYS A 9 27.421 18.857 32.769 1.00 0.00 C ATOM 140 NZ LYS A 9 27.151 17.456 32.380 1.00 0.00 N1+ ATOM 0 H LYS A 9 27.106 23.827 29.521 1.00 0.00 H new ATOM 0 HA LYS A 9 28.036 23.737 32.080 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.514 21.944 29.986 1.00 0.00 H new ATOM 0 HB3 LYS A 9 29.224 21.691 30.279 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.781 21.233 32.677 1.00 0.00 H new ATOM 0 HG3 LYS A 9 27.079 21.587 32.457 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.874 19.681 30.850 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.585 19.341 31.016 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.270 18.890 33.452 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.563 19.259 33.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.957 16.891 33.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.326 17.424 31.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.980 17.067 31.888 1.00 0.00 H new ATOM 154 N ILE A 10 30.550 24.204 29.981 1.00 0.00 N ATOM 155 CA ILE A 10 31.930 24.694 29.830 1.00 0.00 C ATOM 156 C ILE A 10 32.155 26.035 30.551 1.00 0.00 C ATOM 157 O ILE A 10 33.099 26.166 31.326 1.00 0.00 O ATOM 158 CB ILE A 10 32.272 24.789 28.327 1.00 0.00 C ATOM 159 CG1 ILE A 10 32.487 23.369 27.763 1.00 0.00 C ATOM 160 CG2 ILE A 10 33.509 25.664 28.060 1.00 0.00 C ATOM 161 CD1 ILE A 10 32.311 23.286 26.247 1.00 0.00 C ATOM 0 H ILE A 10 30.069 24.104 29.087 1.00 0.00 H new ATOM 0 HA ILE A 10 32.605 23.983 30.307 1.00 0.00 H new ATOM 0 HB ILE A 10 31.433 25.269 27.823 1.00 0.00 H new ATOM 0 HG12 ILE A 10 33.489 23.030 28.024 1.00 0.00 H new ATOM 0 HG13 ILE A 10 31.785 22.686 28.241 1.00 0.00 H new ATOM 0 HG21 ILE A 10 33.706 25.698 26.989 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.327 26.674 28.427 1.00 0.00 H new ATOM 0 HG23 ILE A 10 34.372 25.241 28.575 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.476 22.260 25.917 1.00 0.00 H new ATOM 0 HD12 ILE A 10 31.300 23.594 25.981 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.031 23.944 25.761 1.00 0.00 H new ATOM 173 N LEU A 11 31.296 27.034 30.326 1.00 0.00 N ATOM 174 CA LEU A 11 31.382 28.336 30.996 1.00 0.00 C ATOM 175 C LEU A 11 31.113 28.241 32.508 1.00 0.00 C ATOM 176 O LEU A 11 31.581 29.082 33.276 1.00 0.00 O ATOM 177 CB LEU A 11 30.466 29.344 30.288 1.00 0.00 C ATOM 178 CG LEU A 11 31.140 30.125 29.141 1.00 0.00 C ATOM 179 CD1 LEU A 11 32.177 31.118 29.661 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.769 29.251 28.059 1.00 0.00 C ATOM 0 H LEU A 11 30.518 26.962 29.671 1.00 0.00 H new ATOM 0 HA LEU A 11 32.407 28.698 30.916 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.601 28.813 29.890 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.092 30.055 31.024 1.00 0.00 H new ATOM 0 HG LEU A 11 30.318 30.663 28.669 1.00 0.00 H new ATOM 0 HD11 LEU A 11 32.628 31.647 28.821 1.00 0.00 H new ATOM 0 HD12 LEU A 11 31.693 31.835 30.324 1.00 0.00 H new ATOM 0 HD13 LEU A 11 32.951 30.582 30.210 1.00 0.00 H new ATOM 0 HD21 LEU A 11 32.219 29.885 27.295 1.00 0.00 H new ATOM 0 HD22 LEU A 11 32.537 28.618 28.503 1.00 0.00 H new ATOM 0 HD23 LEU A 11 31.001 28.625 27.605 1.00 0.00 H new ATOM 192 N ILE A 12 30.436 27.180 32.957 1.00 0.00 N ATOM 193 CA ILE A 12 30.271 26.879 34.388 1.00 0.00 C ATOM 194 C ILE A 12 31.596 26.410 35.014 1.00 0.00 C ATOM 195 O ILE A 12 31.883 26.753 36.160 1.00 0.00 O ATOM 196 CB ILE A 12 29.111 25.888 34.638 1.00 0.00 C ATOM 197 CG1 ILE A 12 27.773 26.397 34.055 1.00 0.00 C ATOM 198 CG2 ILE A 12 28.946 25.570 36.136 1.00 0.00 C ATOM 199 CD1 ILE A 12 27.219 27.691 34.666 1.00 0.00 C ATOM 0 H ILE A 12 29.986 26.503 32.341 1.00 0.00 H new ATOM 0 HA ILE A 12 29.993 27.804 34.892 1.00 0.00 H new ATOM 0 HB ILE A 12 29.379 24.969 34.116 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.902 26.551 32.984 1.00 0.00 H new ATOM 0 HG13 ILE A 12 27.026 25.613 34.176 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.121 24.870 36.271 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.865 25.125 36.517 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.735 26.489 36.682 1.00 0.00 H new ATOM 0 HD11 ILE A 12 26.279 27.950 34.179 1.00 0.00 H new ATOM 0 HD12 ILE A 12 27.047 27.545 35.732 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.937 28.498 34.521 1.00 0.00 H new ATOM 211 N MET A 13 32.462 25.720 34.259 1.00 0.00 N ATOM 212 CA MET A 13 33.772 25.273 34.752 1.00 0.00 C ATOM 213 C MET A 13 34.645 26.443 35.214 1.00 0.00 C ATOM 214 O MET A 13 35.139 26.412 36.338 1.00 0.00 O ATOM 215 CB MET A 13 34.549 24.486 33.693 1.00 0.00 C ATOM 216 CG MET A 13 33.770 23.348 33.040 1.00 0.00 C ATOM 217 SD MET A 13 34.752 22.340 31.899 1.00 0.00 S ATOM 218 CE MET A 13 35.539 23.609 30.868 1.00 0.00 C ATOM 0 H MET A 13 32.275 25.457 33.292 1.00 0.00 H new ATOM 0 HA MET A 13 33.554 24.624 35.601 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.876 25.176 32.915 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.448 24.075 34.153 1.00 0.00 H new ATOM 0 HG2 MET A 13 33.365 22.704 33.821 1.00 0.00 H new ATOM 0 HG3 MET A 13 32.921 23.766 32.500 1.00 0.00 H new ATOM 0 HE1 MET A 13 35.777 23.188 29.891 1.00 0.00 H new ATOM 0 HE2 MET A 13 34.858 24.451 30.745 1.00 0.00 H new ATOM 0 HE3 MET A 13 36.456 23.951 31.348 1.00 0.00 H new ATOM 228 N LEU A 14 34.832 27.480 34.381 1.00 0.00 N ATOM 229 CA LEU A 14 35.613 28.669 34.739 1.00 0.00 C ATOM 230 C LEU A 14 34.861 29.616 35.689 1.00 0.00 C ATOM 231 O LEU A 14 35.510 30.408 36.362 1.00 0.00 O ATOM 232 CB LEU A 14 36.191 29.426 33.518 1.00 0.00 C ATOM 233 CG LEU A 14 36.098 28.762 32.130 1.00 0.00 C ATOM 234 CD1 LEU A 14 34.773 29.103 31.487 1.00 0.00 C ATOM 235 CD2 LEU A 14 37.257 29.193 31.239 1.00 0.00 C ATOM 0 H LEU A 14 34.444 27.515 33.439 1.00 0.00 H new ATOM 0 HA LEU A 14 36.471 28.280 35.288 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.688 30.391 33.458 1.00 0.00 H new ATOM 0 HB3 LEU A 14 37.243 29.626 33.720 1.00 0.00 H new ATOM 0 HG LEU A 14 36.162 27.681 32.256 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.712 28.631 30.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.960 28.740 32.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.690 30.184 31.375 1.00 0.00 H new ATOM 0 HD21 LEU A 14 37.167 28.710 30.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 37.234 30.275 31.111 1.00 0.00 H new ATOM 0 HD23 LEU A 14 38.200 28.902 31.702 1.00 0.00 H new ATOM 247 N LYS A 15 33.529 29.510 35.806 1.00 0.00 N ATOM 248 CA LYS A 15 32.760 30.179 36.869 1.00 0.00 C ATOM 249 C LYS A 15 33.115 29.605 38.242 1.00 0.00 C ATOM 250 O LYS A 15 33.489 30.355 39.137 1.00 0.00 O ATOM 251 CB LYS A 15 31.254 30.087 36.550 1.00 0.00 C ATOM 252 CG LYS A 15 30.290 30.781 37.532 1.00 0.00 C ATOM 253 CD LYS A 15 29.887 29.966 38.764 1.00 0.00 C ATOM 254 CE LYS A 15 28.531 30.458 39.294 1.00 0.00 C ATOM 255 NZ LYS A 15 28.159 29.798 40.562 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.954 28.959 35.168 1.00 0.00 H new ATOM 0 HA LYS A 15 33.024 31.236 36.906 1.00 0.00 H new ATOM 0 HB2 LYS A 15 31.091 30.510 35.559 1.00 0.00 H new ATOM 0 HB3 LYS A 15 30.982 29.033 36.496 1.00 0.00 H new ATOM 0 HG2 LYS A 15 30.752 31.709 37.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 29.385 31.055 36.990 1.00 0.00 H new ATOM 0 HD2 LYS A 15 29.825 28.908 38.507 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.647 30.062 39.539 1.00 0.00 H new ATOM 0 HE2 LYS A 15 28.571 31.537 39.445 1.00 0.00 H new ATOM 0 HE3 LYS A 15 27.760 30.269 38.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 27.125 29.704 40.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 28.594 28.854 40.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.496 30.370 41.363 1.00 0.00 H new ATOM 269 N GLU A 16 33.058 28.284 38.394 1.00 0.00 N ATOM 270 CA GLU A 16 33.384 27.590 39.651 1.00 0.00 C ATOM 271 C GLU A 16 34.901 27.548 39.929 1.00 0.00 C ATOM 272 O GLU A 16 35.316 27.761 41.062 1.00 0.00 O ATOM 273 CB GLU A 16 32.764 26.180 39.630 1.00 0.00 C ATOM 274 CG GLU A 16 31.221 26.179 39.582 1.00 0.00 C ATOM 275 CD GLU A 16 30.561 26.611 40.901 1.00 0.00 C ATOM 276 OE1 GLU A 16 29.752 27.572 40.910 1.00 0.00 O ATOM 277 OE2 GLU A 16 30.817 25.952 41.941 1.00 0.00 O ATOM 0 H GLU A 16 32.782 27.652 37.643 1.00 0.00 H new ATOM 0 HA GLU A 16 32.952 28.156 40.476 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.146 25.638 38.765 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.091 25.636 40.516 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.891 26.846 38.785 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.875 25.178 39.324 1.00 0.00 H new ATOM 284 N ASN A 17 35.752 27.398 38.900 1.00 0.00 N ATOM 285 CA ASN A 17 37.209 27.606 39.007 1.00 0.00 C ATOM 286 C ASN A 17 37.613 29.087 39.101 1.00 0.00 C ATOM 287 O ASN A 17 38.796 29.392 39.245 1.00 0.00 O ATOM 288 CB ASN A 17 37.968 26.957 37.834 1.00 0.00 C ATOM 289 CG ASN A 17 38.125 25.459 37.952 1.00 0.00 C ATOM 290 OD1 ASN A 17 39.196 24.965 38.261 1.00 0.00 O ATOM 291 ND2 ASN A 17 37.090 24.700 37.687 1.00 0.00 N ATOM 0 H ASN A 17 35.448 27.128 37.965 1.00 0.00 H new ATOM 0 HA ASN A 17 37.490 27.121 39.942 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.443 27.184 36.906 1.00 0.00 H new ATOM 0 HB3 ASN A 17 38.957 27.410 37.760 1.00 0.00 H new ATOM 0 HD21 ASN A 17 37.176 23.685 37.738 1.00 0.00 H new ATOM 0 HD22 ASN A 17 36.199 25.124 37.430 1.00 0.00 H new ATOM 298 N GLN A 18 36.657 30.020 39.021 1.00 0.00 N ATOM 299 CA GLN A 18 36.873 31.462 39.223 1.00 0.00 C ATOM 300 C GLN A 18 37.806 32.102 38.164 1.00 0.00 C ATOM 301 O GLN A 18 38.244 33.246 38.292 1.00 0.00 O ATOM 302 CB GLN A 18 37.276 31.727 40.697 1.00 0.00 C ATOM 303 CG GLN A 18 36.125 31.424 41.685 1.00 0.00 C ATOM 304 CD GLN A 18 36.489 31.599 43.149 1.00 0.00 C ATOM 305 OE1 GLN A 18 37.647 31.503 43.536 1.00 0.00 O ATOM 306 NE2 GLN A 18 35.522 31.805 44.014 1.00 0.00 N ATOM 0 H GLN A 18 35.686 29.790 38.809 1.00 0.00 H new ATOM 0 HA GLN A 18 35.931 31.983 39.052 1.00 0.00 H new ATOM 0 HB2 GLN A 18 38.140 31.113 40.951 1.00 0.00 H new ATOM 0 HB3 GLN A 18 37.581 32.768 40.806 1.00 0.00 H new ATOM 0 HG2 GLN A 18 35.283 32.076 41.453 1.00 0.00 H new ATOM 0 HG3 GLN A 18 35.788 30.399 41.527 1.00 0.00 H new ATOM 0 HE21 GLN A 18 34.558 31.885 43.691 1.00 0.00 H new ATOM 0 HE22 GLN A 18 35.736 31.885 45.008 1.00 0.00 H new ATOM 315 N CYS A 19 38.085 31.375 37.077 1.00 0.00 N ATOM 316 CA CYS A 19 38.968 31.740 35.972 1.00 0.00 C ATOM 317 C CYS A 19 38.202 32.478 34.856 1.00 0.00 C ATOM 318 O CYS A 19 38.135 32.045 33.708 1.00 0.00 O ATOM 319 CB CYS A 19 39.744 30.490 35.543 1.00 0.00 C ATOM 320 SG CYS A 19 41.190 30.995 34.575 1.00 0.00 S ATOM 0 H CYS A 19 37.670 30.454 36.940 1.00 0.00 H new ATOM 0 HA CYS A 19 39.712 32.474 36.281 1.00 0.00 H new ATOM 0 HB2 CYS A 19 40.057 29.922 36.419 1.00 0.00 H new ATOM 0 HB3 CYS A 19 39.105 29.835 34.951 1.00 0.00 H new ATOM 0 HG CYS A 19 41.354 30.174 33.580 1.00 0.00 H new ATOM 326 N THR A 20 37.640 33.627 35.214 1.00 0.00 N ATOM 327 CA THR A 20 36.886 34.427 34.257 1.00 0.00 C ATOM 328 C THR A 20 37.355 35.876 34.273 1.00 0.00 C ATOM 329 O THR A 20 36.648 36.770 34.737 1.00 0.00 O ATOM 330 CB THR A 20 35.377 34.390 34.562 1.00 0.00 C ATOM 331 OG1 THR A 20 34.673 35.198 33.611 1.00 0.00 O ATOM 332 CG2 THR A 20 35.103 34.908 35.967 1.00 0.00 C ATOM 0 H THR A 20 37.692 34.023 36.153 1.00 0.00 H new ATOM 0 HA THR A 20 37.062 33.996 33.271 1.00 0.00 H new ATOM 0 HB THR A 20 35.034 33.358 34.494 1.00 0.00 H new ATOM 0 HG1 THR A 20 33.713 35.172 33.806 1.00 0.00 H new ATOM 0 HG21 THR A 20 34.032 34.874 36.165 1.00 0.00 H new ATOM 0 HG22 THR A 20 35.626 34.285 36.693 1.00 0.00 H new ATOM 0 HG23 THR A 20 35.455 35.936 36.051 1.00 0.00 H new ATOM 340 N THR A 21 38.561 36.093 33.759 1.00 0.00 N ATOM 341 CA THR A 21 39.147 37.424 33.676 1.00 0.00 C ATOM 342 C THR A 21 39.913 37.545 32.363 1.00 0.00 C ATOM 343 O THR A 21 40.357 36.545 31.801 1.00 0.00 O ATOM 344 CB THR A 21 40.074 37.719 34.871 1.00 0.00 C ATOM 345 OG1 THR A 21 40.456 39.101 34.856 1.00 0.00 O ATOM 346 CG2 THR A 21 41.315 36.853 34.812 1.00 0.00 C ATOM 0 H THR A 21 39.158 35.353 33.389 1.00 0.00 H new ATOM 0 HA THR A 21 38.344 38.160 33.709 1.00 0.00 H new ATOM 0 HB THR A 21 39.534 37.495 35.791 1.00 0.00 H new ATOM 0 HG1 THR A 21 41.044 39.286 35.618 1.00 0.00 H new ATOM 0 HG21 THR A 21 41.956 37.077 35.665 1.00 0.00 H new ATOM 0 HG22 THR A 21 41.027 35.802 34.841 1.00 0.00 H new ATOM 0 HG23 THR A 21 41.856 37.056 33.888 1.00 0.00 H new ATOM 354 N GLU A 22 40.065 38.772 31.878 1.00 0.00 N ATOM 355 CA GLU A 22 40.756 39.019 30.616 1.00 0.00 C ATOM 356 C GLU A 22 42.230 38.604 30.629 1.00 0.00 C ATOM 357 O GLU A 22 42.732 38.069 29.641 1.00 0.00 O ATOM 358 CB GLU A 22 40.614 40.492 30.212 1.00 0.00 C ATOM 359 CG GLU A 22 41.248 41.487 31.175 1.00 0.00 C ATOM 360 CD GLU A 22 40.975 42.928 30.793 1.00 0.00 C ATOM 361 OE1 GLU A 22 40.601 43.176 29.627 1.00 0.00 O ATOM 362 OE2 GLU A 22 41.138 43.815 31.657 1.00 0.00 O ATOM 0 H GLU A 22 39.719 39.613 32.340 1.00 0.00 H new ATOM 0 HA GLU A 22 40.272 38.385 29.873 1.00 0.00 H new ATOM 0 HB2 GLU A 22 41.060 40.628 29.227 1.00 0.00 H new ATOM 0 HB3 GLU A 22 39.554 40.727 30.117 1.00 0.00 H new ATOM 0 HG2 GLU A 22 40.869 41.304 32.181 1.00 0.00 H new ATOM 0 HG3 GLU A 22 42.325 41.321 31.205 1.00 0.00 H new ATOM 369 N LEU A 23 42.919 38.849 31.739 1.00 0.00 N ATOM 370 CA LEU A 23 44.339 38.520 31.833 1.00 0.00 C ATOM 371 C LEU A 23 44.630 37.025 31.703 1.00 0.00 C ATOM 372 O LEU A 23 45.571 36.633 31.014 1.00 0.00 O ATOM 373 CB LEU A 23 44.903 39.030 33.161 1.00 0.00 C ATOM 374 CG LEU A 23 45.358 40.491 33.175 1.00 0.00 C ATOM 375 CD1 LEU A 23 44.170 41.422 32.989 1.00 0.00 C ATOM 376 CD2 LEU A 23 46.099 40.811 34.465 1.00 0.00 C ATOM 0 H LEU A 23 42.523 39.270 32.579 1.00 0.00 H new ATOM 0 HA LEU A 23 44.824 39.012 30.990 1.00 0.00 H new ATOM 0 HB2 LEU A 23 44.143 38.899 33.931 1.00 0.00 H new ATOM 0 HB3 LEU A 23 45.750 38.403 33.439 1.00 0.00 H new ATOM 0 HG LEU A 23 46.045 40.645 32.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 44.513 42.457 33.002 1.00 0.00 H new ATOM 0 HD12 LEU A 23 43.688 41.211 32.034 1.00 0.00 H new ATOM 0 HD13 LEU A 23 43.456 41.267 33.798 1.00 0.00 H new ATOM 0 HD21 LEU A 23 46.414 41.854 34.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 45.439 40.639 35.316 1.00 0.00 H new ATOM 0 HD23 LEU A 23 46.975 40.169 34.550 1.00 0.00 H new ATOM 388 N LYS A 24 43.830 36.194 32.363 1.00 0.00 N ATOM 389 CA LYS A 24 44.029 34.748 32.306 1.00 0.00 C ATOM 390 C LYS A 24 43.581 34.156 30.964 1.00 0.00 C ATOM 391 O LYS A 24 42.565 34.575 30.412 1.00 0.00 O ATOM 392 CB LYS A 24 43.289 34.055 33.451 1.00 0.00 C ATOM 393 CG LYS A 24 43.763 34.474 34.833 1.00 0.00 C ATOM 394 CD LYS A 24 43.010 33.735 35.928 1.00 0.00 C ATOM 395 CE LYS A 24 43.475 34.168 37.309 1.00 0.00 C ATOM 396 NZ LYS A 24 42.798 33.403 38.393 1.00 0.00 N1+ ATOM 0 H LYS A 24 43.043 36.493 32.940 1.00 0.00 H new ATOM 0 HA LYS A 24 45.100 34.571 32.408 1.00 0.00 H new ATOM 0 HB2 LYS A 24 42.223 34.267 33.363 1.00 0.00 H new ATOM 0 HB3 LYS A 24 43.409 32.977 33.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 44.831 34.277 34.928 1.00 0.00 H new ATOM 0 HG3 LYS A 24 43.625 35.548 34.956 1.00 0.00 H new ATOM 0 HD2 LYS A 24 41.941 33.922 35.827 1.00 0.00 H new ATOM 0 HD3 LYS A 24 43.158 32.661 35.813 1.00 0.00 H new ATOM 0 HE2 LYS A 24 44.553 34.030 37.388 1.00 0.00 H new ATOM 0 HE3 LYS A 24 43.279 35.232 37.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 43.145 33.730 39.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 41.771 33.554 38.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 43.005 32.390 38.284 1.00 0.00 H new ATOM 410 N SER A 25 44.331 33.188 30.440 1.00 0.00 N ATOM 411 CA SER A 25 43.978 32.539 29.184 1.00 0.00 C ATOM 412 C SER A 25 44.005 31.027 29.374 1.00 0.00 C ATOM 413 O SER A 25 44.944 30.493 29.964 1.00 0.00 O ATOM 414 CB SER A 25 44.952 32.947 28.078 1.00 0.00 C ATOM 415 OG SER A 25 45.054 34.359 27.983 1.00 0.00 O ATOM 0 H SER A 25 45.188 32.837 30.868 1.00 0.00 H new ATOM 0 HA SER A 25 42.976 32.852 28.890 1.00 0.00 H new ATOM 0 HB2 SER A 25 45.935 32.521 28.279 1.00 0.00 H new ATOM 0 HB3 SER A 25 44.617 32.538 27.125 1.00 0.00 H new ATOM 0 HG SER A 25 45.684 34.594 27.270 1.00 0.00 H new ATOM 421 N PHE A 26 42.984 30.333 28.879 1.00 0.00 N ATOM 422 CA PHE A 26 42.954 28.878 29.016 1.00 0.00 C ATOM 423 C PHE A 26 43.570 28.182 27.779 1.00 0.00 C ATOM 424 O PHE A 26 43.539 28.711 26.659 1.00 0.00 O ATOM 425 CB PHE A 26 41.494 28.444 29.290 1.00 0.00 C ATOM 426 CG PHE A 26 41.284 27.717 30.606 1.00 0.00 C ATOM 427 CD1 PHE A 26 41.493 26.329 30.678 1.00 0.00 C ATOM 428 CD2 PHE A 26 40.829 28.409 31.747 1.00 0.00 C ATOM 429 CE1 PHE A 26 41.228 25.639 31.869 1.00 0.00 C ATOM 430 CE2 PHE A 26 40.612 27.718 32.954 1.00 0.00 C ATOM 431 CZ PHE A 26 40.815 26.331 33.024 1.00 0.00 C ATOM 0 H PHE A 26 42.186 30.740 28.392 1.00 0.00 H new ATOM 0 HA PHE A 26 43.571 28.566 29.858 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.857 29.329 29.274 1.00 0.00 H new ATOM 0 HB3 PHE A 26 41.163 27.798 28.477 1.00 0.00 H new ATOM 0 HD1 PHE A 26 41.858 25.793 29.814 1.00 0.00 H new ATOM 0 HD2 PHE A 26 40.646 29.472 31.695 1.00 0.00 H new ATOM 0 HE1 PHE A 26 41.342 24.565 31.901 1.00 0.00 H new ATOM 0 HE2 PHE A 26 40.287 28.258 33.831 1.00 0.00 H new ATOM 0 HZ PHE A 26 40.657 25.801 33.952 1.00 0.00 H new ATOM 441 N THR A 27 44.121 26.976 27.960 1.00 0.00 N ATOM 442 CA THR A 27 44.593 26.108 26.860 1.00 0.00 C ATOM 443 C THR A 27 43.612 24.966 26.608 1.00 0.00 C ATOM 444 O THR A 27 42.934 24.511 27.531 1.00 0.00 O ATOM 445 CB THR A 27 46.010 25.543 27.085 1.00 0.00 C ATOM 446 OG1 THR A 27 46.032 24.477 28.011 1.00 0.00 O ATOM 447 CG2 THR A 27 46.990 26.610 27.561 1.00 0.00 C ATOM 0 H THR A 27 44.256 26.565 28.884 1.00 0.00 H new ATOM 0 HA THR A 27 44.645 26.749 25.980 1.00 0.00 H new ATOM 0 HB THR A 27 46.320 25.173 26.108 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.951 24.154 28.116 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.973 26.163 27.705 1.00 0.00 H new ATOM 0 HG22 THR A 27 47.057 27.401 26.814 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.641 27.030 28.504 1.00 0.00 H new ATOM 455 N TYR A 28 43.548 24.464 25.370 1.00 0.00 N ATOM 456 CA TYR A 28 42.680 23.325 25.045 1.00 0.00 C ATOM 457 C TYR A 28 43.036 22.076 25.862 1.00 0.00 C ATOM 458 O TYR A 28 42.139 21.433 26.390 1.00 0.00 O ATOM 459 CB TYR A 28 42.713 23.028 23.540 1.00 0.00 C ATOM 460 CG TYR A 28 41.870 23.961 22.686 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.478 24.032 22.901 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.451 24.687 21.625 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.671 24.834 22.075 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.640 25.482 20.788 1.00 0.00 C ATOM 465 CZ TYR A 28 40.250 25.563 21.018 1.00 0.00 C ATOM 466 OH TYR A 28 39.461 26.329 20.222 1.00 0.00 O ATOM 0 H TYR A 28 44.083 24.825 24.580 1.00 0.00 H new ATOM 0 HA TYR A 28 41.663 23.604 25.319 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.746 23.079 23.197 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.374 22.005 23.379 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.029 23.467 23.705 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.516 24.634 21.454 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.607 24.891 22.251 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.084 26.030 19.970 1.00 0.00 H new ATOM 0 HH TYR A 28 39.833 27.234 20.166 1.00 0.00 H new ATOM 476 N THR A 29 44.323 21.779 26.064 1.00 0.00 N ATOM 477 CA THR A 29 44.771 20.633 26.879 1.00 0.00 C ATOM 478 C THR A 29 44.293 20.735 28.332 1.00 0.00 C ATOM 479 O THR A 29 43.773 19.759 28.878 1.00 0.00 O ATOM 480 CB THR A 29 46.302 20.524 26.823 1.00 0.00 C ATOM 481 OG1 THR A 29 46.697 20.515 25.472 1.00 0.00 O ATOM 482 CG2 THR A 29 46.850 19.256 27.477 1.00 0.00 C ATOM 0 H THR A 29 45.089 22.324 25.669 1.00 0.00 H new ATOM 0 HA THR A 29 44.325 19.731 26.459 1.00 0.00 H new ATOM 0 HB THR A 29 46.700 21.376 27.375 1.00 0.00 H new ATOM 0 HG1 THR A 29 47.673 20.448 25.417 1.00 0.00 H new ATOM 0 HG21 THR A 29 47.937 19.247 27.399 1.00 0.00 H new ATOM 0 HG22 THR A 29 46.561 19.234 28.528 1.00 0.00 H new ATOM 0 HG23 THR A 29 46.443 18.381 26.971 1.00 0.00 H new ATOM 490 N LYS A 30 44.382 21.928 28.945 1.00 0.00 N ATOM 491 CA LYS A 30 43.853 22.178 30.297 1.00 0.00 C ATOM 492 C LYS A 30 42.325 22.064 30.338 1.00 0.00 C ATOM 493 O LYS A 30 41.791 21.544 31.315 1.00 0.00 O ATOM 494 CB LYS A 30 44.345 23.551 30.795 1.00 0.00 C ATOM 495 CG LYS A 30 44.117 23.822 32.296 1.00 0.00 C ATOM 496 CD LYS A 30 44.956 22.924 33.205 1.00 0.00 C ATOM 497 CE LYS A 30 44.897 23.388 34.662 1.00 0.00 C ATOM 498 NZ LYS A 30 45.974 22.788 35.497 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.821 22.744 28.519 1.00 0.00 H new ATOM 0 HA LYS A 30 44.231 21.410 30.971 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.411 23.636 30.584 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.843 24.330 30.221 1.00 0.00 H new ATOM 0 HG2 LYS A 30 44.351 24.865 32.510 1.00 0.00 H new ATOM 0 HG3 LYS A 30 43.062 23.678 32.528 1.00 0.00 H new ATOM 0 HD2 LYS A 30 44.598 21.897 33.134 1.00 0.00 H new ATOM 0 HD3 LYS A 30 45.991 22.925 32.864 1.00 0.00 H new ATOM 0 HE2 LYS A 30 44.978 24.474 34.697 1.00 0.00 H new ATOM 0 HE3 LYS A 30 43.927 23.126 35.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 45.889 23.134 36.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 45.884 21.752 35.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 46.902 23.058 35.113 1.00 0.00 H new ATOM 512 N LEU A 31 41.622 22.497 29.282 1.00 0.00 N ATOM 513 CA LEU A 31 40.176 22.285 29.157 1.00 0.00 C ATOM 514 C LEU A 31 39.818 20.795 29.047 1.00 0.00 C ATOM 515 O LEU A 31 38.920 20.374 29.769 1.00 0.00 O ATOM 516 CB LEU A 31 39.570 23.056 27.964 1.00 0.00 C ATOM 517 CG LEU A 31 39.537 24.589 28.072 1.00 0.00 C ATOM 518 CD1 LEU A 31 39.061 25.195 26.750 1.00 0.00 C ATOM 519 CD2 LEU A 31 38.593 25.077 29.174 1.00 0.00 C ATOM 0 H LEU A 31 42.037 23.000 28.497 1.00 0.00 H new ATOM 0 HA LEU A 31 39.740 22.679 30.075 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.132 22.791 27.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.549 22.704 27.816 1.00 0.00 H new ATOM 0 HG LEU A 31 40.552 24.905 28.312 1.00 0.00 H new ATOM 0 HD11 LEU A 31 39.040 26.282 26.834 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.743 24.906 25.951 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.060 24.830 26.522 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.606 26.166 29.209 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.580 24.733 28.964 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.919 24.679 30.135 1.00 0.00 H new ATOM 531 N CYS A 32 40.485 19.990 28.213 1.00 0.00 N ATOM 532 CA CYS A 32 40.174 18.559 28.050 1.00 0.00 C ATOM 533 C CYS A 32 40.160 17.820 29.398 1.00 0.00 C ATOM 534 O CYS A 32 39.183 17.136 29.716 1.00 0.00 O ATOM 535 CB CYS A 32 41.186 17.902 27.098 1.00 0.00 C ATOM 536 SG CYS A 32 41.026 18.541 25.405 1.00 0.00 S ATOM 0 H CYS A 32 41.258 20.310 27.629 1.00 0.00 H new ATOM 0 HA CYS A 32 39.174 18.486 27.622 1.00 0.00 H new ATOM 0 HB2 CYS A 32 42.198 18.082 27.461 1.00 0.00 H new ATOM 0 HB3 CYS A 32 41.036 16.822 27.096 1.00 0.00 H new ATOM 0 HG CYS A 32 41.405 19.784 25.373 1.00 0.00 H new ATOM 542 N ASN A 33 41.190 18.041 30.228 1.00 0.00 N ATOM 543 CA ASN A 33 41.303 17.421 31.549 1.00 0.00 C ATOM 544 C ASN A 33 40.088 17.736 32.437 1.00 0.00 C ATOM 545 O ASN A 33 39.435 16.823 32.948 1.00 0.00 O ATOM 546 CB ASN A 33 42.629 17.863 32.196 1.00 0.00 C ATOM 547 CG ASN A 33 42.855 17.220 33.558 1.00 0.00 C ATOM 548 OD1 ASN A 33 42.137 17.457 34.518 1.00 0.00 O ATOM 549 ND2 ASN A 33 43.854 16.386 33.697 1.00 0.00 N ATOM 0 H ASN A 33 41.969 18.658 29.998 1.00 0.00 H new ATOM 0 HA ASN A 33 41.311 16.337 31.436 1.00 0.00 H new ATOM 0 HB2 ASN A 33 43.456 17.606 31.534 1.00 0.00 H new ATOM 0 HB3 ASN A 33 42.633 18.948 32.304 1.00 0.00 H new ATOM 0 HD21 ASN A 33 44.026 15.942 34.599 1.00 0.00 H new ATOM 0 HD22 ASN A 33 44.461 16.180 32.903 1.00 0.00 H new ATOM 556 N ILE A 34 39.759 19.019 32.602 1.00 0.00 N ATOM 557 CA ILE A 34 38.696 19.444 33.524 1.00 0.00 C ATOM 558 C ILE A 34 37.286 19.235 32.950 1.00 0.00 C ATOM 559 O ILE A 34 36.353 19.036 33.725 1.00 0.00 O ATOM 560 CB ILE A 34 38.944 20.886 34.024 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.674 21.940 32.932 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.371 21.002 34.597 1.00 0.00 C ATOM 563 CD1 ILE A 34 39.144 23.349 33.304 1.00 0.00 C ATOM 0 H ILE A 34 40.214 19.787 32.108 1.00 0.00 H new ATOM 0 HA ILE A 34 38.740 18.791 34.396 1.00 0.00 H new ATOM 0 HB ILE A 34 38.231 21.096 34.822 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.171 21.632 32.012 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.605 21.967 32.723 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.541 22.020 34.948 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.487 20.307 35.429 1.00 0.00 H new ATOM 0 HG23 ILE A 34 41.096 20.761 33.820 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.920 24.035 32.487 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.628 23.678 34.206 1.00 0.00 H new ATOM 0 HD13 ILE A 34 40.219 23.338 33.484 1.00 0.00 H new ATOM 575 N SER A 35 37.122 19.213 31.620 1.00 0.00 N ATOM 576 CA SER A 35 35.814 19.059 30.955 1.00 0.00 C ATOM 577 C SER A 35 35.280 17.626 30.947 1.00 0.00 C ATOM 578 O SER A 35 34.081 17.436 30.754 1.00 0.00 O ATOM 579 CB SER A 35 35.855 19.523 29.491 1.00 0.00 C ATOM 580 OG SER A 35 36.416 20.803 29.324 1.00 0.00 O ATOM 0 H SER A 35 37.900 19.302 30.966 1.00 0.00 H new ATOM 0 HA SER A 35 35.150 19.684 31.552 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.429 18.804 28.906 1.00 0.00 H new ATOM 0 HB3 SER A 35 34.842 19.524 29.090 1.00 0.00 H new ATOM 0 HG SER A 35 37.381 20.720 29.172 1.00 0.00 H new ATOM 586 N LYS A 36 36.144 16.609 31.113 1.00 0.00 N ATOM 587 CA LYS A 36 35.786 15.181 31.000 1.00 0.00 C ATOM 588 C LYS A 36 35.228 14.747 29.626 1.00 0.00 C ATOM 589 O LYS A 36 34.561 13.717 29.523 1.00 0.00 O ATOM 590 CB LYS A 36 34.884 14.794 32.194 1.00 0.00 C ATOM 591 CG LYS A 36 35.642 14.825 33.524 1.00 0.00 C ATOM 592 CD LYS A 36 34.809 14.230 34.666 1.00 0.00 C ATOM 593 CE LYS A 36 33.611 15.128 34.985 1.00 0.00 C ATOM 594 NZ LYS A 36 32.851 14.647 36.160 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.129 16.758 31.333 1.00 0.00 H new ATOM 0 HA LYS A 36 36.711 14.607 31.053 1.00 0.00 H new ATOM 0 HB2 LYS A 36 34.037 15.478 32.244 1.00 0.00 H new ATOM 0 HB3 LYS A 36 34.478 13.795 32.032 1.00 0.00 H new ATOM 0 HG2 LYS A 36 36.574 14.268 33.425 1.00 0.00 H new ATOM 0 HG3 LYS A 36 35.910 15.853 33.766 1.00 0.00 H new ATOM 0 HD2 LYS A 36 34.461 13.235 34.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 35.430 14.114 35.554 1.00 0.00 H new ATOM 0 HE2 LYS A 36 33.960 16.144 35.171 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.950 15.171 34.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 32.049 15.285 36.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.495 13.687 35.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 33.473 14.630 36.993 1.00 0.00 H new ATOM 608 N LEU A 37 35.522 15.506 28.569 1.00 0.00 N ATOM 609 CA LEU A 37 35.094 15.277 27.192 1.00 0.00 C ATOM 610 C LEU A 37 36.221 15.590 26.190 1.00 0.00 C ATOM 611 O LEU A 37 37.239 16.178 26.555 1.00 0.00 O ATOM 612 CB LEU A 37 33.785 16.047 26.941 1.00 0.00 C ATOM 613 CG LEU A 37 33.737 17.537 27.327 1.00 0.00 C ATOM 614 CD1 LEU A 37 34.382 18.475 26.313 1.00 0.00 C ATOM 615 CD2 LEU A 37 32.294 18.000 27.494 1.00 0.00 C ATOM 0 H LEU A 37 36.098 16.343 28.658 1.00 0.00 H new ATOM 0 HA LEU A 37 34.880 14.220 27.033 1.00 0.00 H new ATOM 0 HB2 LEU A 37 33.550 15.969 25.879 1.00 0.00 H new ATOM 0 HB3 LEU A 37 32.988 15.536 27.482 1.00 0.00 H new ATOM 0 HG LEU A 37 34.304 17.593 28.256 1.00 0.00 H new ATOM 0 HD11 LEU A 37 34.302 19.503 26.666 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.433 18.213 26.193 1.00 0.00 H new ATOM 0 HD13 LEU A 37 33.872 18.380 25.354 1.00 0.00 H new ATOM 0 HD21 LEU A 37 32.280 19.055 27.767 1.00 0.00 H new ATOM 0 HD22 LEU A 37 31.756 17.860 26.556 1.00 0.00 H new ATOM 0 HD23 LEU A 37 31.813 17.416 28.279 1.00 0.00 H new ATOM 627 N SER A 38 36.056 15.163 24.935 1.00 0.00 N ATOM 628 CA SER A 38 37.129 15.181 23.934 1.00 0.00 C ATOM 629 C SER A 38 37.436 16.577 23.387 1.00 0.00 C ATOM 630 O SER A 38 36.593 17.482 23.396 1.00 0.00 O ATOM 631 CB SER A 38 36.817 14.210 22.785 1.00 0.00 C ATOM 632 OG SER A 38 35.755 14.668 21.970 1.00 0.00 O ATOM 0 H SER A 38 35.173 14.794 24.583 1.00 0.00 H new ATOM 0 HA SER A 38 38.029 14.852 24.453 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.709 14.075 22.174 1.00 0.00 H new ATOM 0 HB3 SER A 38 36.562 13.233 23.196 1.00 0.00 H new ATOM 0 HG SER A 38 35.591 14.021 21.252 1.00 0.00 H new ATOM 638 N MET A 39 38.642 16.722 22.823 1.00 0.00 N ATOM 639 CA MET A 39 39.082 17.937 22.130 1.00 0.00 C ATOM 640 C MET A 39 38.094 18.363 21.029 1.00 0.00 C ATOM 641 O MET A 39 37.728 19.535 20.949 1.00 0.00 O ATOM 642 CB MET A 39 40.499 17.716 21.573 1.00 0.00 C ATOM 643 CG MET A 39 40.990 18.864 20.681 1.00 0.00 C ATOM 644 SD MET A 39 40.947 20.506 21.447 1.00 0.00 S ATOM 645 CE MET A 39 41.659 21.472 20.094 1.00 0.00 C ATOM 0 H MET A 39 39.349 15.987 22.836 1.00 0.00 H new ATOM 0 HA MET A 39 39.107 18.759 22.845 1.00 0.00 H new ATOM 0 HB2 MET A 39 41.192 17.590 22.404 1.00 0.00 H new ATOM 0 HB3 MET A 39 40.516 16.789 21.001 1.00 0.00 H new ATOM 0 HG2 MET A 39 42.013 18.651 20.372 1.00 0.00 H new ATOM 0 HG3 MET A 39 40.382 18.886 19.777 1.00 0.00 H new ATOM 0 HE1 MET A 39 41.268 22.489 20.128 1.00 0.00 H new ATOM 0 HE2 MET A 39 42.744 21.497 20.196 1.00 0.00 H new ATOM 0 HE3 MET A 39 41.395 21.013 19.141 1.00 0.00 H new ATOM 655 N SER A 40 37.597 17.412 20.232 1.00 0.00 N ATOM 656 CA SER A 40 36.582 17.660 19.199 1.00 0.00 C ATOM 657 C SER A 40 35.324 18.302 19.796 1.00 0.00 C ATOM 658 O SER A 40 34.880 19.353 19.327 1.00 0.00 O ATOM 659 CB SER A 40 36.217 16.348 18.484 1.00 0.00 C ATOM 660 OG SER A 40 37.389 15.655 18.089 1.00 0.00 O ATOM 0 H SER A 40 37.890 16.437 20.285 1.00 0.00 H new ATOM 0 HA SER A 40 37.005 18.356 18.475 1.00 0.00 H new ATOM 0 HB2 SER A 40 35.622 15.720 19.146 1.00 0.00 H new ATOM 0 HB3 SER A 40 35.602 16.562 17.610 1.00 0.00 H new ATOM 0 HG SER A 40 37.140 14.822 17.637 1.00 0.00 H new ATOM 666 N THR A 41 34.802 17.728 20.888 1.00 0.00 N ATOM 667 CA THR A 41 33.605 18.224 21.580 1.00 0.00 C ATOM 668 C THR A 41 33.817 19.627 22.171 1.00 0.00 C ATOM 669 O THR A 41 32.977 20.506 21.971 1.00 0.00 O ATOM 670 CB THR A 41 33.152 17.229 22.672 1.00 0.00 C ATOM 671 OG1 THR A 41 32.821 15.977 22.109 1.00 0.00 O ATOM 672 CG2 THR A 41 31.899 17.707 23.400 1.00 0.00 C ATOM 0 H THR A 41 35.204 16.896 21.321 1.00 0.00 H new ATOM 0 HA THR A 41 32.813 18.307 20.836 1.00 0.00 H new ATOM 0 HB THR A 41 33.991 17.151 23.363 1.00 0.00 H new ATOM 0 HG1 THR A 41 33.635 15.443 21.998 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.618 16.976 24.158 1.00 0.00 H new ATOM 0 HG22 THR A 41 32.099 18.666 23.877 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.084 17.820 22.685 1.00 0.00 H new ATOM 680 N VAL A 42 34.940 19.884 22.861 1.00 0.00 N ATOM 681 CA VAL A 42 35.185 21.195 23.498 1.00 0.00 C ATOM 682 C VAL A 42 35.474 22.301 22.476 1.00 0.00 C ATOM 683 O VAL A 42 34.929 23.402 22.593 1.00 0.00 O ATOM 684 CB VAL A 42 36.255 21.109 24.605 1.00 0.00 C ATOM 685 CG1 VAL A 42 37.648 20.696 24.128 1.00 0.00 C ATOM 686 CG2 VAL A 42 36.387 22.452 25.335 1.00 0.00 C ATOM 0 H VAL A 42 35.691 19.207 22.994 1.00 0.00 H new ATOM 0 HA VAL A 42 34.256 21.482 23.990 1.00 0.00 H new ATOM 0 HB VAL A 42 35.894 20.321 25.266 1.00 0.00 H new ATOM 0 HG11 VAL A 42 38.329 20.664 24.978 1.00 0.00 H new ATOM 0 HG12 VAL A 42 37.597 19.710 23.667 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.012 21.419 23.398 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.147 22.371 26.112 1.00 0.00 H new ATOM 0 HG22 VAL A 42 36.677 23.226 24.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 35.431 22.715 25.788 1.00 0.00 H new ATOM 696 N ARG A 43 36.260 22.020 21.426 1.00 0.00 N ATOM 697 CA ARG A 43 36.584 22.958 20.354 1.00 0.00 C ATOM 698 C ARG A 43 35.333 23.366 19.567 1.00 0.00 C ATOM 699 O ARG A 43 35.125 24.560 19.344 1.00 0.00 O ATOM 700 CB ARG A 43 37.673 22.295 19.494 1.00 0.00 C ATOM 701 CG ARG A 43 38.072 23.196 18.335 1.00 0.00 C ATOM 702 CD ARG A 43 39.221 22.628 17.489 1.00 0.00 C ATOM 703 NE ARG A 43 39.102 23.130 16.113 1.00 0.00 N ATOM 704 CZ ARG A 43 39.514 24.288 15.650 1.00 0.00 C ATOM 705 NH1 ARG A 43 40.102 25.136 16.434 1.00 0.00 N ATOM 706 NH2 ARG A 43 39.325 24.599 14.410 1.00 0.00 N ATOM 0 H ARG A 43 36.697 21.107 21.301 1.00 0.00 H new ATOM 0 HA ARG A 43 36.968 23.899 20.749 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.546 22.079 20.109 1.00 0.00 H new ATOM 0 HB3 ARG A 43 37.309 21.342 19.110 1.00 0.00 H new ATOM 0 HG2 ARG A 43 37.205 23.358 17.695 1.00 0.00 H new ATOM 0 HG3 ARG A 43 38.366 24.170 18.726 1.00 0.00 H new ATOM 0 HD2 ARG A 43 40.181 22.921 17.914 1.00 0.00 H new ATOM 0 HD3 ARG A 43 39.189 21.538 17.495 1.00 0.00 H new ATOM 0 HE ARG A 43 38.649 22.510 15.442 1.00 0.00 H new ATOM 0 HH11 ARG A 43 40.247 24.906 17.417 1.00 0.00 H new ATOM 0 HH12 ARG A 43 40.420 26.034 16.068 1.00 0.00 H new ATOM 0 HH21 ARG A 43 38.854 23.944 13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.647 25.500 14.055 1.00 0.00 H new ATOM 720 N ARG A 44 34.444 22.418 19.243 1.00 0.00 N ATOM 721 CA ARG A 44 33.135 22.691 18.607 1.00 0.00 C ATOM 722 C ARG A 44 32.175 23.532 19.462 1.00 0.00 C ATOM 723 O ARG A 44 31.153 23.984 18.937 1.00 0.00 O ATOM 724 CB ARG A 44 32.481 21.359 18.181 1.00 0.00 C ATOM 725 CG ARG A 44 33.079 20.767 16.892 1.00 0.00 C ATOM 726 CD ARG A 44 32.678 21.593 15.660 1.00 0.00 C ATOM 727 NE ARG A 44 33.139 20.981 14.404 1.00 0.00 N ATOM 728 CZ ARG A 44 32.713 21.269 13.191 1.00 0.00 C ATOM 729 NH1 ARG A 44 31.799 22.171 13.016 1.00 0.00 N ATOM 730 NH2 ARG A 44 33.195 20.646 12.165 1.00 0.00 N ATOM 0 H ARG A 44 34.609 21.426 19.414 1.00 0.00 H new ATOM 0 HA ARG A 44 33.338 23.307 17.731 1.00 0.00 H new ATOM 0 HB2 ARG A 44 32.590 20.635 18.989 1.00 0.00 H new ATOM 0 HB3 ARG A 44 31.412 21.518 18.037 1.00 0.00 H new ATOM 0 HG2 ARG A 44 34.165 20.736 16.974 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.739 19.739 16.770 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.593 21.699 15.633 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.094 22.597 15.747 1.00 0.00 H new ATOM 0 HE ARG A 44 33.859 20.263 14.480 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.406 22.662 13.819 1.00 0.00 H new ATOM 0 HH12 ARG A 44 31.473 22.390 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.908 19.928 12.293 1.00 0.00 H new ATOM 0 HH22 ARG A 44 32.862 20.873 11.228 1.00 0.00 H new ATOM 744 N SER A 45 32.504 23.787 20.731 1.00 0.00 N ATOM 745 CA SER A 45 31.787 24.714 21.617 1.00 0.00 C ATOM 746 C SER A 45 32.533 26.047 21.822 1.00 0.00 C ATOM 747 O SER A 45 31.949 27.107 21.603 1.00 0.00 O ATOM 748 CB SER A 45 31.481 23.991 22.928 1.00 0.00 C ATOM 749 OG SER A 45 30.546 24.737 23.670 1.00 0.00 O ATOM 0 H SER A 45 33.301 23.342 21.186 1.00 0.00 H new ATOM 0 HA SER A 45 30.848 25.005 21.145 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.087 22.996 22.723 1.00 0.00 H new ATOM 0 HB3 SER A 45 32.396 23.859 23.505 1.00 0.00 H new ATOM 0 HG SER A 45 31.001 25.482 24.116 1.00 0.00 H new ATOM 755 N ILE A 46 33.849 26.043 22.096 1.00 0.00 N ATOM 756 CA ILE A 46 34.670 27.275 22.170 1.00 0.00 C ATOM 757 C ILE A 46 34.562 28.122 20.890 1.00 0.00 C ATOM 758 O ILE A 46 34.425 29.340 20.987 1.00 0.00 O ATOM 759 CB ILE A 46 36.145 26.942 22.537 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.261 26.163 23.872 1.00 0.00 C ATOM 761 CG2 ILE A 46 37.083 28.162 22.595 1.00 0.00 C ATOM 762 CD1 ILE A 46 35.700 26.840 25.124 1.00 0.00 C ATOM 0 H ILE A 46 34.378 25.189 22.273 1.00 0.00 H new ATOM 0 HA ILE A 46 34.267 27.891 22.974 1.00 0.00 H new ATOM 0 HB ILE A 46 36.474 26.314 21.710 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.755 25.205 23.750 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.315 25.947 24.047 1.00 0.00 H new ATOM 0 HG21 ILE A 46 38.089 27.835 22.858 1.00 0.00 H new ATOM 0 HG22 ILE A 46 37.103 28.652 21.622 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.722 28.863 23.347 1.00 0.00 H new ATOM 0 HD11 ILE A 46 35.845 26.189 25.986 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.219 27.784 25.291 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.635 27.030 24.989 1.00 0.00 H new ATOM 774 N LYS A 47 34.532 27.500 19.703 1.00 0.00 N ATOM 775 CA LYS A 47 34.465 28.210 18.407 1.00 0.00 C ATOM 776 C LYS A 47 33.136 28.967 18.253 1.00 0.00 C ATOM 777 O LYS A 47 33.110 30.064 17.707 1.00 0.00 O ATOM 778 CB LYS A 47 34.741 27.193 17.278 1.00 0.00 C ATOM 779 CG LYS A 47 35.260 27.763 15.943 1.00 0.00 C ATOM 780 CD LYS A 47 34.179 28.333 15.007 1.00 0.00 C ATOM 781 CE LYS A 47 34.746 28.718 13.633 1.00 0.00 C ATOM 782 NZ LYS A 47 33.719 29.302 12.735 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.553 26.485 19.609 1.00 0.00 H new ATOM 0 HA LYS A 47 35.232 28.983 18.353 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.468 26.468 17.644 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.819 26.647 17.079 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.982 28.550 16.159 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.796 26.975 15.414 1.00 0.00 H new ATOM 0 HD2 LYS A 47 33.387 27.595 14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 47 33.726 29.210 15.470 1.00 0.00 H new ATOM 0 HE2 LYS A 47 35.556 29.435 13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 47 35.176 27.835 13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 34.154 29.544 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.957 28.611 12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 33.326 30.161 13.170 1.00 0.00 H new ATOM 796 N LYS A 48 32.049 28.414 18.803 1.00 0.00 N ATOM 797 CA LYS A 48 30.721 29.044 18.886 1.00 0.00 C ATOM 798 C LYS A 48 30.666 30.165 19.928 1.00 0.00 C ATOM 799 O LYS A 48 30.124 31.230 19.646 1.00 0.00 O ATOM 800 CB LYS A 48 29.685 27.969 19.232 1.00 0.00 C ATOM 801 CG LYS A 48 29.331 27.064 18.048 1.00 0.00 C ATOM 802 CD LYS A 48 28.222 26.094 18.480 1.00 0.00 C ATOM 803 CE LYS A 48 27.862 25.077 17.396 1.00 0.00 C ATOM 804 NZ LYS A 48 28.979 24.143 17.130 1.00 0.00 N1+ ATOM 0 H LYS A 48 32.068 27.482 19.218 1.00 0.00 H new ATOM 0 HA LYS A 48 30.504 29.497 17.918 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.067 27.355 20.048 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.778 28.452 19.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.999 27.664 17.201 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.211 26.510 17.721 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.540 25.563 19.377 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.332 26.664 18.746 1.00 0.00 H new ATOM 0 HE2 LYS A 48 26.981 24.513 17.704 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.599 25.602 16.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.424 24.384 16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.684 24.219 17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.615 23.169 17.090 1.00 0.00 H new ATOM 818 N PHE A 49 31.248 29.962 21.115 1.00 0.00 N ATOM 819 CA PHE A 49 31.229 30.961 22.193 1.00 0.00 C ATOM 820 C PHE A 49 31.881 32.308 21.831 1.00 0.00 C ATOM 821 O PHE A 49 31.540 33.317 22.456 1.00 0.00 O ATOM 822 CB PHE A 49 31.877 30.395 23.463 1.00 0.00 C ATOM 823 CG PHE A 49 31.063 29.388 24.248 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.753 29.714 24.644 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.629 28.167 24.660 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.988 28.802 25.389 1.00 0.00 C ATOM 827 CE2 PHE A 49 30.874 27.259 25.419 1.00 0.00 C ATOM 828 CZ PHE A 49 29.549 27.572 25.763 1.00 0.00 C ATOM 0 H PHE A 49 31.744 29.104 21.357 1.00 0.00 H new ATOM 0 HA PHE A 49 30.174 31.174 22.366 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.821 29.927 23.184 1.00 0.00 H new ATOM 0 HB3 PHE A 49 32.117 31.228 24.123 1.00 0.00 H new ATOM 0 HD1 PHE A 49 29.333 30.672 24.373 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.647 27.928 24.391 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.975 29.046 25.672 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.310 26.324 25.737 1.00 0.00 H new ATOM 0 HZ PHE A 49 28.957 26.860 26.320 1.00 0.00 H new ATOM 838 N LEU A 50 32.735 32.348 20.799 1.00 0.00 N ATOM 839 CA LEU A 50 33.250 33.583 20.190 1.00 0.00 C ATOM 840 C LEU A 50 32.133 34.532 19.736 1.00 0.00 C ATOM 841 O LEU A 50 32.256 35.749 19.877 1.00 0.00 O ATOM 842 CB LEU A 50 34.124 33.241 18.974 1.00 0.00 C ATOM 843 CG LEU A 50 35.339 32.348 19.276 1.00 0.00 C ATOM 844 CD1 LEU A 50 36.143 32.145 18.000 1.00 0.00 C ATOM 845 CD2 LEU A 50 36.271 32.959 20.320 1.00 0.00 C ATOM 0 H LEU A 50 33.095 31.504 20.354 1.00 0.00 H new ATOM 0 HA LEU A 50 33.832 34.091 20.959 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.504 32.744 18.228 1.00 0.00 H new ATOM 0 HB3 LEU A 50 34.477 34.170 18.527 1.00 0.00 H new ATOM 0 HG LEU A 50 34.952 31.407 19.666 1.00 0.00 H new ATOM 0 HD11 LEU A 50 37.005 31.512 18.210 1.00 0.00 H new ATOM 0 HD12 LEU A 50 35.516 31.666 17.247 1.00 0.00 H new ATOM 0 HD13 LEU A 50 36.484 33.111 17.627 1.00 0.00 H new ATOM 0 HD21 LEU A 50 37.111 32.287 20.495 1.00 0.00 H new ATOM 0 HD22 LEU A 50 36.642 33.918 19.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 35.726 33.108 21.252 1.00 0.00 H new ATOM 857 N GLU A 51 31.043 33.985 19.192 1.00 0.00 N ATOM 858 CA GLU A 51 29.879 34.766 18.765 1.00 0.00 C ATOM 859 C GLU A 51 28.979 35.176 19.934 1.00 0.00 C ATOM 860 O GLU A 51 28.261 36.172 19.839 1.00 0.00 O ATOM 861 CB GLU A 51 29.022 33.973 17.770 1.00 0.00 C ATOM 862 CG GLU A 51 29.794 33.461 16.548 1.00 0.00 C ATOM 863 CD GLU A 51 28.862 32.932 15.450 1.00 0.00 C ATOM 864 OE1 GLU A 51 27.626 33.121 15.519 1.00 0.00 O ATOM 865 OE2 GLU A 51 29.359 32.320 14.477 1.00 0.00 O ATOM 0 H GLU A 51 30.943 32.982 19.034 1.00 0.00 H new ATOM 0 HA GLU A 51 30.283 35.664 18.298 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.577 33.123 18.287 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.202 34.605 17.430 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.407 34.267 16.144 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.475 32.668 16.857 1.00 0.00 H new ATOM 872 N LEU A 52 29.003 34.410 21.029 1.00 0.00 N ATOM 873 CA LEU A 52 28.176 34.670 22.209 1.00 0.00 C ATOM 874 C LEU A 52 28.768 35.742 23.138 1.00 0.00 C ATOM 875 O LEU A 52 28.106 36.155 24.080 1.00 0.00 O ATOM 876 CB LEU A 52 27.861 33.364 22.965 1.00 0.00 C ATOM 877 CG LEU A 52 27.250 32.220 22.126 1.00 0.00 C ATOM 878 CD1 LEU A 52 26.557 31.217 23.051 1.00 0.00 C ATOM 879 CD2 LEU A 52 26.183 32.663 21.119 1.00 0.00 C ATOM 0 H LEU A 52 29.600 33.588 21.121 1.00 0.00 H new ATOM 0 HA LEU A 52 27.235 35.083 21.845 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.783 33.001 23.420 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.174 33.596 23.779 1.00 0.00 H new ATOM 0 HG LEU A 52 28.093 31.801 21.577 1.00 0.00 H new ATOM 0 HD11 LEU A 52 26.127 30.411 22.457 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.284 30.804 23.750 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.766 31.721 23.606 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.812 31.794 20.576 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.358 33.140 21.649 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.619 33.371 20.415 1.00 0.00 H new ATOM 891 N GLN A 53 29.988 36.224 22.870 1.00 0.00 N ATOM 892 CA GLN A 53 30.725 37.191 23.706 1.00 0.00 C ATOM 893 C GLN A 53 31.179 36.628 25.074 1.00 0.00 C ATOM 894 O GLN A 53 31.570 37.392 25.959 1.00 0.00 O ATOM 895 CB GLN A 53 29.959 38.531 23.855 1.00 0.00 C ATOM 896 CG GLN A 53 29.251 39.035 22.583 1.00 0.00 C ATOM 897 CD GLN A 53 28.511 40.347 22.828 1.00 0.00 C ATOM 898 OE1 GLN A 53 29.005 41.428 22.530 1.00 0.00 O ATOM 899 NE2 GLN A 53 27.317 40.309 23.370 1.00 0.00 N ATOM 0 H GLN A 53 30.510 35.945 22.039 1.00 0.00 H new ATOM 0 HA GLN A 53 31.647 37.395 23.161 1.00 0.00 H new ATOM 0 HB2 GLN A 53 29.215 38.418 24.644 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.661 39.296 24.186 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.985 39.175 21.790 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.546 38.280 22.236 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.899 39.413 23.621 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.807 41.175 23.541 1.00 0.00 H new ATOM 908 N TYR A 54 31.131 35.302 25.268 1.00 0.00 N ATOM 909 CA TYR A 54 31.485 34.650 26.542 1.00 0.00 C ATOM 910 C TYR A 54 32.928 34.142 26.580 1.00 0.00 C ATOM 911 O TYR A 54 33.533 34.109 27.647 1.00 0.00 O ATOM 912 CB TYR A 54 30.519 33.495 26.838 1.00 0.00 C ATOM 913 CG TYR A 54 29.045 33.839 26.756 1.00 0.00 C ATOM 914 CD1 TYR A 54 28.594 35.129 27.014 1.00 0.00 C ATOM 915 CD2 TYR A 54 28.147 32.860 26.360 1.00 0.00 C ATOM 916 CE1 TYR A 54 27.270 35.473 26.840 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.804 33.195 26.198 1.00 0.00 C ATOM 918 CZ TYR A 54 26.373 34.508 26.413 1.00 0.00 C ATOM 919 OH TYR A 54 25.045 34.880 26.190 1.00 0.00 O ATOM 0 H TYR A 54 30.844 34.646 24.542 1.00 0.00 H new ATOM 0 HA TYR A 54 31.398 35.416 27.313 1.00 0.00 H new ATOM 0 HB2 TYR A 54 30.724 32.685 26.139 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.730 33.115 27.837 1.00 0.00 H new ATOM 0 HD1 TYR A 54 29.294 35.876 27.357 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.484 31.850 26.179 1.00 0.00 H new ATOM 0 HE1 TYR A 54 26.937 36.482 27.034 1.00 0.00 H new ATOM 0 HE2 TYR A 54 26.093 32.437 25.905 1.00 0.00 H new ATOM 0 HH TYR A 54 24.532 34.100 25.893 1.00 0.00 H new ATOM 929 N VAL A 55 33.488 33.769 25.425 1.00 0.00 N ATOM 930 CA VAL A 55 34.919 33.478 25.263 1.00 0.00 C ATOM 931 C VAL A 55 35.453 34.263 24.068 1.00 0.00 C ATOM 932 O VAL A 55 34.688 34.645 23.180 1.00 0.00 O ATOM 933 CB VAL A 55 35.253 31.965 25.173 1.00 0.00 C ATOM 934 CG1 VAL A 55 34.547 31.133 26.247 1.00 0.00 C ATOM 935 CG2 VAL A 55 35.001 31.386 23.775 1.00 0.00 C ATOM 0 H VAL A 55 32.954 33.659 24.563 1.00 0.00 H new ATOM 0 HA VAL A 55 35.427 33.804 26.171 1.00 0.00 H new ATOM 0 HB VAL A 55 36.323 31.896 25.366 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.820 30.084 26.132 1.00 0.00 H new ATOM 0 HG12 VAL A 55 34.850 31.481 27.234 1.00 0.00 H new ATOM 0 HG13 VAL A 55 33.468 31.241 26.140 1.00 0.00 H new ATOM 0 HG21 VAL A 55 35.251 30.325 23.770 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.951 31.512 23.513 1.00 0.00 H new ATOM 0 HG23 VAL A 55 35.622 31.909 23.047 1.00 0.00 H new ATOM 945 N LYS A 56 36.766 34.481 24.021 1.00 0.00 N ATOM 946 CA LYS A 56 37.423 35.270 22.978 1.00 0.00 C ATOM 947 C LYS A 56 38.725 34.617 22.526 1.00 0.00 C ATOM 948 O LYS A 56 39.426 34.017 23.337 1.00 0.00 O ATOM 949 CB LYS A 56 37.635 36.684 23.533 1.00 0.00 C ATOM 950 CG LYS A 56 37.636 37.783 22.469 1.00 0.00 C ATOM 951 CD LYS A 56 36.235 38.030 21.876 1.00 0.00 C ATOM 952 CE LYS A 56 36.219 39.306 21.029 1.00 0.00 C ATOM 953 NZ LYS A 56 36.893 39.128 19.723 1.00 0.00 N1+ ATOM 0 H LYS A 56 37.414 34.110 24.716 1.00 0.00 H new ATOM 0 HA LYS A 56 36.800 35.322 22.085 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.851 36.898 24.259 1.00 0.00 H new ATOM 0 HB3 LYS A 56 38.583 36.713 24.070 1.00 0.00 H new ATOM 0 HG2 LYS A 56 38.010 38.708 22.907 1.00 0.00 H new ATOM 0 HG3 LYS A 56 38.323 37.509 21.668 1.00 0.00 H new ATOM 0 HD2 LYS A 56 35.939 37.178 21.264 1.00 0.00 H new ATOM 0 HD3 LYS A 56 35.504 38.113 22.681 1.00 0.00 H new ATOM 0 HE2 LYS A 56 35.187 39.615 20.863 1.00 0.00 H new ATOM 0 HE3 LYS A 56 36.707 40.110 21.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 36.855 40.019 19.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 37.886 38.860 19.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 36.412 38.380 19.183 1.00 0.00 H new ATOM 967 N GLU A 57 38.957 34.697 21.217 1.00 0.00 N ATOM 968 CA GLU A 57 40.110 34.121 20.521 1.00 0.00 C ATOM 969 C GLU A 57 41.409 34.938 20.596 1.00 0.00 C ATOM 970 O GLU A 57 41.397 36.128 20.909 1.00 0.00 O ATOM 971 CB GLU A 57 39.730 33.904 19.050 1.00 0.00 C ATOM 972 CG GLU A 57 40.801 33.241 18.196 1.00 0.00 C ATOM 973 CD GLU A 57 40.345 33.012 16.768 1.00 0.00 C ATOM 974 OE1 GLU A 57 39.207 33.405 16.435 1.00 0.00 O ATOM 975 OE2 GLU A 57 41.124 32.438 15.979 1.00 0.00 O ATOM 0 H GLU A 57 38.322 35.184 20.585 1.00 0.00 H new ATOM 0 HA GLU A 57 40.335 33.188 21.038 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.827 33.294 19.011 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.482 34.869 18.609 1.00 0.00 H new ATOM 0 HG2 GLU A 57 41.696 33.864 18.193 1.00 0.00 H new ATOM 0 HG3 GLU A 57 41.078 32.286 18.643 1.00 0.00 H new ATOM 982 N GLY A 58 42.522 34.268 20.300 1.00 0.00 N ATOM 983 CA GLY A 58 43.851 34.858 20.283 1.00 0.00 C ATOM 984 C GLY A 58 44.130 35.715 19.056 1.00 0.00 C ATOM 985 O GLY A 58 43.346 35.741 18.107 1.00 0.00 O ATOM 0 H GLY A 58 42.520 33.277 20.060 1.00 0.00 H new ATOM 0 HA2 GLY A 58 43.978 35.469 21.177 1.00 0.00 H new ATOM 0 HA3 GLY A 58 44.592 34.061 20.333 1.00 0.00 H new ATOM 989 N CYS A 59 45.260 36.419 19.085 1.00 0.00 N ATOM 990 CA CYS A 59 45.677 37.318 18.005 1.00 0.00 C ATOM 991 C CYS A 59 45.957 36.586 16.689 1.00 0.00 C ATOM 992 O CYS A 59 46.278 35.397 16.680 1.00 0.00 O ATOM 993 CB CYS A 59 46.918 38.106 18.426 1.00 0.00 C ATOM 994 SG CYS A 59 46.669 39.162 19.874 1.00 0.00 S ATOM 0 H CYS A 59 45.918 36.383 19.863 1.00 0.00 H new ATOM 0 HA CYS A 59 44.842 37.995 17.825 1.00 0.00 H new ATOM 0 HB2 CYS A 59 47.726 37.405 18.636 1.00 0.00 H new ATOM 0 HB3 CYS A 59 47.242 38.725 17.590 1.00 0.00 H new ATOM 0 HG CYS A 59 47.776 39.785 20.152 1.00 0.00 H new ATOM 1000 N LYS A 60 46.192 37.381 15.654 1.00 0.00 N ATOM 1001 CA LYS A 60 46.426 36.881 14.307 1.00 0.00 C ATOM 1002 C LYS A 60 47.635 35.946 14.323 1.00 0.00 C ATOM 1003 O LYS A 60 48.474 36.013 15.221 1.00 0.00 O ATOM 1004 CB LYS A 60 46.667 38.061 13.357 1.00 0.00 C ATOM 1005 CG LYS A 60 45.462 38.962 13.129 1.00 0.00 C ATOM 1006 CD LYS A 60 45.788 40.120 12.197 1.00 0.00 C ATOM 1007 CE LYS A 60 44.577 41.007 11.949 1.00 0.00 C ATOM 1008 NZ LYS A 60 44.878 42.161 11.058 1.00 0.00 N1+ ATOM 0 H LYS A 60 46.226 38.398 15.726 1.00 0.00 H new ATOM 0 HA LYS A 60 45.555 36.327 13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 60 47.483 38.665 13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 60 46.997 37.671 12.394 1.00 0.00 H new ATOM 0 HG2 LYS A 60 44.645 38.376 12.708 1.00 0.00 H new ATOM 0 HG3 LYS A 60 45.114 39.352 14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 60 46.593 40.716 12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 60 46.153 39.730 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 60 43.780 40.410 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 60 44.203 41.379 12.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 44.018 42.730 10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 45.619 42.749 11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 45.208 41.811 10.136 1.00 0.00 H new ATOM 1022 N GLN A 61 47.711 35.073 13.320 1.00 0.00 N ATOM 1023 CA GLN A 61 48.727 34.025 13.241 1.00 0.00 C ATOM 1024 C GLN A 61 50.177 34.521 13.324 1.00 0.00 C ATOM 1025 O GLN A 61 50.504 35.632 12.904 1.00 0.00 O ATOM 1026 CB GLN A 61 48.544 33.222 11.951 1.00 0.00 C ATOM 1027 CG GLN A 61 47.213 32.494 11.860 1.00 0.00 C ATOM 1028 CD GLN A 61 47.093 31.650 10.606 1.00 0.00 C ATOM 1029 OE1 GLN A 61 46.308 30.702 10.555 1.00 0.00 O ATOM 1030 NE2 GLN A 61 47.871 31.989 9.585 1.00 0.00 N ATOM 0 H GLN A 61 47.063 35.073 12.532 1.00 0.00 H new ATOM 0 HA GLN A 61 48.571 33.405 14.124 1.00 0.00 H new ATOM 0 HB2 GLN A 61 48.637 33.896 11.099 1.00 0.00 H new ATOM 0 HB3 GLN A 61 49.351 32.494 11.871 1.00 0.00 H new ATOM 0 HG2 GLN A 61 47.092 31.856 12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 61 46.403 33.223 11.882 1.00 0.00 H new ATOM 0 HE21 GLN A 61 48.507 32.782 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 61 47.832 31.457 8.716 1.00 0.00 H new ATOM 1039 N GLY A 62 51.042 33.659 13.860 1.00 0.00 N ATOM 1040 CA GLY A 62 52.427 33.982 14.142 1.00 0.00 C ATOM 1041 C GLY A 62 52.680 34.108 15.645 1.00 0.00 C ATOM 1042 O GLY A 62 53.817 34.327 16.062 1.00 0.00 O ATOM 0 H GLY A 62 50.789 32.704 14.112 1.00 0.00 H new ATOM 0 HA2 GLY A 62 53.073 33.209 13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 62 52.691 34.917 13.648 1.00 0.00 H new ATOM 1046 N ILE A 63 51.629 33.970 16.459 1.00 0.00 N ATOM 1047 CA ILE A 63 51.737 34.007 17.911 1.00 0.00 C ATOM 1048 C ILE A 63 50.901 32.835 18.425 1.00 0.00 C ATOM 1049 O ILE A 63 49.929 32.443 17.779 1.00 0.00 O ATOM 1050 CB ILE A 63 51.198 35.324 18.492 1.00 0.00 C ATOM 1051 CG1 ILE A 63 49.711 35.476 18.169 1.00 0.00 C ATOM 1052 CG2 ILE A 63 51.983 36.505 17.943 1.00 0.00 C ATOM 1053 CD1 ILE A 63 48.799 35.105 19.319 1.00 0.00 C ATOM 0 H ILE A 63 50.677 33.829 16.122 1.00 0.00 H new ATOM 0 HA ILE A 63 52.781 33.937 18.215 1.00 0.00 H new ATOM 0 HB ILE A 63 51.318 35.302 19.575 1.00 0.00 H new ATOM 0 HG12 ILE A 63 49.515 36.508 17.879 1.00 0.00 H new ATOM 0 HG13 ILE A 63 49.469 34.852 17.309 1.00 0.00 H new ATOM 0 HG21 ILE A 63 51.590 37.430 18.364 1.00 0.00 H new ATOM 0 HG22 ILE A 63 53.034 36.401 18.214 1.00 0.00 H new ATOM 0 HG23 ILE A 63 51.889 36.531 16.857 1.00 0.00 H new ATOM 0 HD11 ILE A 63 47.760 35.238 19.017 1.00 0.00 H new ATOM 0 HD12 ILE A 63 48.967 34.064 19.595 1.00 0.00 H new ATOM 0 HD13 ILE A 63 49.013 35.746 20.174 1.00 0.00 H new ATOM 1065 N SER A 64 51.263 32.271 19.574 1.00 0.00 N ATOM 1066 CA SER A 64 50.516 31.131 20.103 1.00 0.00 C ATOM 1067 C SER A 64 49.076 31.519 20.427 1.00 0.00 C ATOM 1068 O SER A 64 48.827 32.550 21.052 1.00 0.00 O ATOM 1069 CB SER A 64 51.202 30.585 21.357 1.00 0.00 C ATOM 1070 OG SER A 64 50.491 29.483 21.890 1.00 0.00 O ATOM 0 H SER A 64 52.051 32.575 20.147 1.00 0.00 H new ATOM 0 HA SER A 64 50.498 30.356 19.336 1.00 0.00 H new ATOM 0 HB2 SER A 64 52.220 30.281 21.115 1.00 0.00 H new ATOM 0 HB3 SER A 64 51.274 31.372 22.107 1.00 0.00 H new ATOM 0 HG SER A 64 50.951 29.152 22.689 1.00 0.00 H new ATOM 1076 N LYS A 65 48.132 30.685 19.997 1.00 0.00 N ATOM 1077 CA LYS A 65 46.712 30.971 20.251 1.00 0.00 C ATOM 1078 C LYS A 65 46.254 30.448 21.614 1.00 0.00 C ATOM 1079 O LYS A 65 46.721 29.426 22.109 1.00 0.00 O ATOM 1080 CB LYS A 65 45.815 30.475 19.100 1.00 0.00 C ATOM 1081 CG LYS A 65 45.762 28.948 19.019 1.00 0.00 C ATOM 1082 CD LYS A 65 44.844 28.465 17.891 1.00 0.00 C ATOM 1083 CE LYS A 65 44.627 26.951 17.997 1.00 0.00 C ATOM 1084 NZ LYS A 65 45.872 26.183 17.771 1.00 0.00 N1+ ATOM 0 H LYS A 65 48.312 29.823 19.482 1.00 0.00 H new ATOM 0 HA LYS A 65 46.606 32.055 20.287 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.806 30.864 19.236 1.00 0.00 H new ATOM 0 HB3 LYS A 65 46.186 30.874 18.156 1.00 0.00 H new ATOM 0 HG2 LYS A 65 46.767 28.558 18.860 1.00 0.00 H new ATOM 0 HG3 LYS A 65 45.411 28.546 19.969 1.00 0.00 H new ATOM 0 HD2 LYS A 65 43.886 28.982 17.945 1.00 0.00 H new ATOM 0 HD3 LYS A 65 45.284 28.710 16.924 1.00 0.00 H new ATOM 0 HE2 LYS A 65 44.231 26.712 18.984 1.00 0.00 H new ATOM 0 HE3 LYS A 65 43.877 26.643 17.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 45.666 25.165 17.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 46.257 26.414 16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 46.570 26.430 18.502 1.00 0.00 H new ATOM 1098 N THR A 66 45.284 31.145 22.192 1.00 0.00 N ATOM 1099 CA THR A 66 44.693 30.863 23.504 1.00 0.00 C ATOM 1100 C THR A 66 43.330 31.552 23.602 1.00 0.00 C ATOM 1101 O THR A 66 43.038 32.439 22.793 1.00 0.00 O ATOM 1102 CB THR A 66 45.670 31.277 24.611 1.00 0.00 C ATOM 1103 OG1 THR A 66 45.160 30.927 25.875 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.978 32.775 24.647 1.00 0.00 C ATOM 0 H THR A 66 44.866 31.960 21.743 1.00 0.00 H new ATOM 0 HA THR A 66 44.518 29.795 23.631 1.00 0.00 H new ATOM 0 HB THR A 66 46.593 30.745 24.380 1.00 0.00 H new ATOM 0 HG1 THR A 66 44.636 30.102 25.799 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.676 32.984 25.458 1.00 0.00 H new ATOM 0 HG22 THR A 66 46.422 33.078 23.699 1.00 0.00 H new ATOM 0 HG23 THR A 66 45.056 33.332 24.810 1.00 0.00 H new ATOM 1112 N PHE A 67 42.487 31.120 24.545 1.00 0.00 N ATOM 1113 CA PHE A 67 41.095 31.570 24.662 1.00 0.00 C ATOM 1114 C PHE A 67 40.800 32.039 26.089 1.00 0.00 C ATOM 1115 O PHE A 67 41.128 31.340 27.045 1.00 0.00 O ATOM 1116 CB PHE A 67 40.119 30.476 24.170 1.00 0.00 C ATOM 1117 CG PHE A 67 40.328 30.059 22.721 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.362 29.163 22.384 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.514 30.591 21.703 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.625 28.856 21.038 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.745 30.242 20.359 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.815 29.396 20.023 1.00 0.00 C ATOM 0 H PHE A 67 42.754 30.440 25.257 1.00 0.00 H new ATOM 0 HA PHE A 67 40.943 32.431 24.012 1.00 0.00 H new ATOM 0 HB2 PHE A 67 40.224 29.598 24.808 1.00 0.00 H new ATOM 0 HB3 PHE A 67 39.097 30.836 24.289 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.956 28.710 23.164 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.711 31.268 21.954 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.449 28.206 20.783 1.00 0.00 H new ATOM 0 HE2 PHE A 67 39.098 30.626 19.584 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.015 29.161 18.988 1.00 0.00 H new ATOM 1132 N TYR A 68 40.197 33.219 26.250 1.00 0.00 N ATOM 1133 CA TYR A 68 39.911 33.827 27.560 1.00 0.00 C ATOM 1134 C TYR A 68 38.444 34.236 27.696 1.00 0.00 C ATOM 1135 O TYR A 68 37.721 34.326 26.705 1.00 0.00 O ATOM 1136 CB TYR A 68 40.836 35.025 27.817 1.00 0.00 C ATOM 1137 CG TYR A 68 40.627 36.207 26.889 1.00 0.00 C ATOM 1138 CD1 TYR A 68 39.702 37.223 27.212 1.00 0.00 C ATOM 1139 CD2 TYR A 68 41.394 36.300 25.712 1.00 0.00 C ATOM 1140 CE1 TYR A 68 39.576 38.350 26.373 1.00 0.00 C ATOM 1141 CE2 TYR A 68 41.251 37.411 24.862 1.00 0.00 C ATOM 1142 CZ TYR A 68 40.346 38.438 25.194 1.00 0.00 C ATOM 1143 OH TYR A 68 40.246 39.509 24.365 1.00 0.00 O ATOM 0 H TYR A 68 39.887 33.791 25.464 1.00 0.00 H new ATOM 0 HA TYR A 68 40.106 33.068 28.318 1.00 0.00 H new ATOM 0 HB2 TYR A 68 40.695 35.360 28.845 1.00 0.00 H new ATOM 0 HB3 TYR A 68 41.870 34.692 27.729 1.00 0.00 H new ATOM 0 HD1 TYR A 68 39.092 37.138 28.099 1.00 0.00 H new ATOM 0 HD2 TYR A 68 42.094 35.516 25.461 1.00 0.00 H new ATOM 0 HE1 TYR A 68 38.891 39.144 26.633 1.00 0.00 H new ATOM 0 HE2 TYR A 68 41.834 37.477 23.956 1.00 0.00 H new ATOM 0 HH TYR A 68 40.854 39.392 23.605 1.00 0.00 H new ATOM 1153 N ILE A 69 38.008 34.476 28.935 1.00 0.00 N ATOM 1154 CA ILE A 69 36.635 34.877 29.253 1.00 0.00 C ATOM 1155 C ILE A 69 36.507 36.395 29.262 1.00 0.00 C ATOM 1156 O ILE A 69 37.065 37.083 30.119 1.00 0.00 O ATOM 1157 CB ILE A 69 36.182 34.258 30.589 1.00 0.00 C ATOM 1158 CG1 ILE A 69 36.394 32.729 30.624 1.00 0.00 C ATOM 1159 CG2 ILE A 69 34.723 34.613 30.924 1.00 0.00 C ATOM 1160 CD1 ILE A 69 35.825 31.991 29.406 1.00 0.00 C ATOM 0 H ILE A 69 38.607 34.396 29.757 1.00 0.00 H new ATOM 0 HA ILE A 69 35.973 34.497 28.475 1.00 0.00 H new ATOM 0 HB ILE A 69 36.817 34.697 31.359 1.00 0.00 H new ATOM 0 HG12 ILE A 69 37.462 32.522 30.695 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.932 32.329 31.527 1.00 0.00 H new ATOM 0 HG21 ILE A 69 34.446 34.156 31.874 1.00 0.00 H new ATOM 0 HG22 ILE A 69 34.620 35.696 30.999 1.00 0.00 H new ATOM 0 HG23 ILE A 69 34.068 34.240 30.137 1.00 0.00 H new ATOM 0 HD11 ILE A 69 36.015 30.922 29.507 1.00 0.00 H new ATOM 0 HD12 ILE A 69 34.751 32.165 29.345 1.00 0.00 H new ATOM 0 HD13 ILE A 69 36.305 32.361 28.500 1.00 0.00 H new ATOM 1172 N THR A 70 35.749 36.918 28.307 1.00 0.00 N ATOM 1173 CA THR A 70 35.297 38.306 28.286 1.00 0.00 C ATOM 1174 C THR A 70 34.142 38.496 29.284 1.00 0.00 C ATOM 1175 O THR A 70 33.286 37.616 29.418 1.00 0.00 O ATOM 1176 CB THR A 70 34.856 38.688 26.862 1.00 0.00 C ATOM 1177 OG1 THR A 70 34.045 37.694 26.267 1.00 0.00 O ATOM 1178 CG2 THR A 70 36.073 38.847 25.961 1.00 0.00 C ATOM 0 H THR A 70 35.423 36.377 27.506 1.00 0.00 H new ATOM 0 HA THR A 70 36.118 38.959 28.582 1.00 0.00 H new ATOM 0 HB THR A 70 34.294 39.617 26.958 1.00 0.00 H new ATOM 0 HG1 THR A 70 33.105 37.969 26.312 1.00 0.00 H new ATOM 0 HG21 THR A 70 35.749 39.117 24.956 1.00 0.00 H new ATOM 0 HG22 THR A 70 36.719 39.631 26.357 1.00 0.00 H new ATOM 0 HG23 THR A 70 36.624 37.907 25.924 1.00 0.00 H new ATOM 1186 N PRO A 71 34.060 39.637 29.997 1.00 0.00 N ATOM 1187 CA PRO A 71 33.179 39.791 31.159 1.00 0.00 C ATOM 1188 C PRO A 71 31.683 39.812 30.815 1.00 0.00 C ATOM 1189 O PRO A 71 30.866 39.683 31.721 1.00 0.00 O ATOM 1190 CB PRO A 71 33.614 41.098 31.827 1.00 0.00 C ATOM 1191 CG PRO A 71 34.048 41.910 30.617 1.00 0.00 C ATOM 1192 CD PRO A 71 34.795 40.871 29.779 1.00 0.00 C ATOM 0 HA PRO A 71 33.280 38.927 31.816 1.00 0.00 H new ATOM 0 HB2 PRO A 71 32.799 41.574 32.372 1.00 0.00 H new ATOM 0 HB3 PRO A 71 34.428 40.948 32.537 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.196 42.329 30.081 1.00 0.00 H new ATOM 0 HG3 PRO A 71 34.690 42.745 30.897 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.807 41.145 28.724 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.834 40.777 30.096 1.00 0.00 H new ATOM 1200 N ASN A 72 31.280 39.901 29.540 1.00 0.00 N ATOM 1201 CA ASN A 72 29.877 39.682 29.166 1.00 0.00 C ATOM 1202 C ASN A 72 29.402 38.266 29.576 1.00 0.00 C ATOM 1203 O ASN A 72 28.222 38.077 29.866 1.00 0.00 O ATOM 1204 CB ASN A 72 29.679 39.936 27.656 1.00 0.00 C ATOM 1205 CG ASN A 72 28.226 39.875 27.185 1.00 0.00 C ATOM 1206 OD1 ASN A 72 27.381 39.303 27.851 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.882 40.404 26.033 1.00 0.00 N ATOM 0 H ASN A 72 31.898 40.121 28.759 1.00 0.00 H new ATOM 0 HA ASN A 72 29.259 40.395 29.711 1.00 0.00 H new ATOM 0 HB2 ASN A 72 30.086 40.917 27.410 1.00 0.00 H new ATOM 0 HB3 ASN A 72 30.259 39.201 27.098 1.00 0.00 H new ATOM 0 HD21 ASN A 72 26.918 40.333 25.707 1.00 0.00 H new ATOM 0 HD22 ASN A 72 28.579 40.886 25.465 1.00 0.00 H new ATOM 1214 N GLY A 73 30.305 37.279 29.670 1.00 0.00 N ATOM 1215 CA GLY A 73 29.982 35.969 30.241 1.00 0.00 C ATOM 1216 C GLY A 73 29.553 36.036 31.713 1.00 0.00 C ATOM 1217 O GLY A 73 28.667 35.286 32.110 1.00 0.00 O ATOM 0 H GLY A 73 31.271 37.367 29.355 1.00 0.00 H new ATOM 0 HA2 GLY A 73 29.182 35.513 29.657 1.00 0.00 H new ATOM 0 HA3 GLY A 73 30.852 35.318 30.153 1.00 0.00 H new ATOM 1221 N ILE A 74 30.100 36.965 32.510 1.00 0.00 N ATOM 1222 CA ILE A 74 29.791 37.124 33.943 1.00 0.00 C ATOM 1223 C ILE A 74 28.324 37.507 34.172 1.00 0.00 C ATOM 1224 O ILE A 74 27.703 36.976 35.093 1.00 0.00 O ATOM 1225 CB ILE A 74 30.752 38.130 34.617 1.00 0.00 C ATOM 1226 CG1 ILE A 74 32.175 37.533 34.601 1.00 0.00 C ATOM 1227 CG2 ILE A 74 30.336 38.466 36.060 1.00 0.00 C ATOM 1228 CD1 ILE A 74 33.248 38.511 35.072 1.00 0.00 C ATOM 0 H ILE A 74 30.784 37.642 32.172 1.00 0.00 H new ATOM 0 HA ILE A 74 29.945 36.154 34.416 1.00 0.00 H new ATOM 0 HB ILE A 74 30.718 39.064 34.057 1.00 0.00 H new ATOM 0 HG12 ILE A 74 32.197 36.648 35.236 1.00 0.00 H new ATOM 0 HG13 ILE A 74 32.412 37.205 33.589 1.00 0.00 H new ATOM 0 HG21 ILE A 74 31.044 39.176 36.487 1.00 0.00 H new ATOM 0 HG22 ILE A 74 29.338 38.905 36.058 1.00 0.00 H new ATOM 0 HG23 ILE A 74 30.330 37.555 36.659 1.00 0.00 H new ATOM 0 HD11 ILE A 74 34.224 38.026 35.035 1.00 0.00 H new ATOM 0 HD12 ILE A 74 33.253 39.386 34.422 1.00 0.00 H new ATOM 0 HD13 ILE A 74 33.035 38.820 36.095 1.00 0.00 H new ATOM 1240 N GLU A 75 27.749 38.352 33.309 1.00 0.00 N ATOM 1241 CA GLU A 75 26.335 38.770 33.359 1.00 0.00 C ATOM 1242 C GLU A 75 25.371 37.576 33.324 1.00 0.00 C ATOM 1243 O GLU A 75 24.336 37.563 33.992 1.00 0.00 O ATOM 1244 CB GLU A 75 26.026 39.696 32.170 1.00 0.00 C ATOM 1245 CG GLU A 75 26.758 41.043 32.237 1.00 0.00 C ATOM 1246 CD GLU A 75 26.341 41.809 33.495 1.00 0.00 C ATOM 1247 OE1 GLU A 75 25.228 42.384 33.500 1.00 0.00 O ATOM 1248 OE2 GLU A 75 27.086 41.762 34.498 1.00 0.00 O ATOM 0 H GLU A 75 28.262 38.777 32.537 1.00 0.00 H new ATOM 0 HA GLU A 75 26.187 39.293 34.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 26.299 39.189 31.244 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.952 39.877 32.130 1.00 0.00 H new ATOM 0 HG2 GLU A 75 27.836 40.880 32.242 1.00 0.00 H new ATOM 0 HG3 GLU A 75 26.529 41.634 31.350 1.00 0.00 H new ATOM 1255 N LYS A 76 25.748 36.523 32.591 1.00 0.00 N ATOM 1256 CA LYS A 76 24.998 35.265 32.510 1.00 0.00 C ATOM 1257 C LYS A 76 25.015 34.500 33.832 1.00 0.00 C ATOM 1258 O LYS A 76 24.062 33.781 34.106 1.00 0.00 O ATOM 1259 CB LYS A 76 25.604 34.373 31.410 1.00 0.00 C ATOM 1260 CG LYS A 76 25.637 34.947 29.983 1.00 0.00 C ATOM 1261 CD LYS A 76 24.291 35.338 29.361 1.00 0.00 C ATOM 1262 CE LYS A 76 23.323 34.221 28.982 1.00 0.00 C ATOM 1263 NZ LYS A 76 22.147 34.741 28.248 1.00 0.00 N1+ ATOM 0 H LYS A 76 26.598 36.521 32.027 1.00 0.00 H new ATOM 0 HA LYS A 76 23.963 35.516 32.277 1.00 0.00 H new ATOM 0 HB2 LYS A 76 26.625 34.126 31.699 1.00 0.00 H new ATOM 0 HB3 LYS A 76 25.044 33.438 31.386 1.00 0.00 H new ATOM 0 HG2 LYS A 76 26.278 35.829 29.987 1.00 0.00 H new ATOM 0 HG3 LYS A 76 26.110 34.212 29.332 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.780 35.999 30.061 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.495 35.921 28.463 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.840 33.485 28.366 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.991 33.706 29.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.512 33.953 28.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.640 35.425 28.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.462 35.211 27.375 1.00 0.00 H new ATOM 1277 N LEU A 77 26.088 34.638 34.619 1.00 0.00 N ATOM 1278 CA LEU A 77 26.330 33.909 35.870 1.00 0.00 C ATOM 1279 C LEU A 77 25.534 34.499 37.043 1.00 0.00 C ATOM 1280 O LEU A 77 25.101 33.763 37.922 1.00 0.00 O ATOM 1281 CB LEU A 77 27.838 33.873 36.212 1.00 0.00 C ATOM 1282 CG LEU A 77 28.798 33.667 35.028 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.259 33.756 35.463 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.580 32.371 34.244 1.00 0.00 C ATOM 0 H LEU A 77 26.842 35.287 34.393 1.00 0.00 H new ATOM 0 HA LEU A 77 25.983 32.888 35.712 1.00 0.00 H new ATOM 0 HB2 LEU A 77 28.100 34.809 36.706 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.007 33.073 36.933 1.00 0.00 H new ATOM 0 HG LEU A 77 28.560 34.486 34.349 1.00 0.00 H new ATOM 0 HD11 LEU A 77 30.906 33.605 34.599 1.00 0.00 H new ATOM 0 HD12 LEU A 77 30.451 34.739 35.893 1.00 0.00 H new ATOM 0 HD13 LEU A 77 30.464 32.987 36.208 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.302 32.313 33.429 1.00 0.00 H new ATOM 0 HD22 LEU A 77 28.713 31.517 34.908 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.570 32.359 33.835 1.00 0.00 H new ATOM 1296 N LYS A 78 25.343 35.805 37.028 1.00 0.00 N ATOM 1297 CA LYS A 78 24.606 36.482 38.091 1.00 0.00 C ATOM 1298 C LYS A 78 23.154 36.013 38.171 1.00 0.00 C ATOM 1299 O LYS A 78 22.489 36.212 39.187 1.00 0.00 O ATOM 1300 CB LYS A 78 24.656 37.997 37.887 1.00 0.00 C ATOM 1301 CG LYS A 78 26.062 38.546 37.714 1.00 0.00 C ATOM 1302 CD LYS A 78 26.890 38.357 38.975 1.00 0.00 C ATOM 1303 CE LYS A 78 28.327 38.805 38.772 1.00 0.00 C ATOM 1304 NZ LYS A 78 29.166 38.559 39.978 1.00 0.00 N1+ ATOM 0 H LYS A 78 25.686 36.423 36.293 1.00 0.00 H new ATOM 0 HA LYS A 78 25.087 36.226 39.035 1.00 0.00 H new ATOM 0 HB2 LYS A 78 24.064 38.256 37.009 1.00 0.00 H new ATOM 0 HB3 LYS A 78 24.188 38.485 38.742 1.00 0.00 H new ATOM 0 HG2 LYS A 78 26.550 38.045 36.878 1.00 0.00 H new ATOM 0 HG3 LYS A 78 26.012 39.606 37.465 1.00 0.00 H new ATOM 0 HD2 LYS A 78 26.444 38.923 39.792 1.00 0.00 H new ATOM 0 HD3 LYS A 78 26.873 37.307 39.268 1.00 0.00 H new ATOM 0 HE2 LYS A 78 28.754 38.276 37.920 1.00 0.00 H new ATOM 0 HE3 LYS A 78 28.344 39.868 38.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 30.138 38.879 39.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 28.774 39.084 40.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 29.172 37.542 40.195 1.00 0.00 H new ATOM 1318 N SER A 79 22.678 35.405 37.113 1.00 0.00 N ATOM 1319 CA SER A 79 21.307 34.912 37.078 1.00 0.00 C ATOM 1320 C SER A 79 21.093 33.835 38.136 1.00 0.00 C ATOM 1321 O SER A 79 20.053 33.795 38.793 1.00 0.00 O ATOM 1322 CB SER A 79 20.977 34.353 35.693 1.00 0.00 C ATOM 1323 OG SER A 79 21.050 35.364 34.703 1.00 0.00 O ATOM 0 H SER A 79 23.212 35.235 36.261 1.00 0.00 H new ATOM 0 HA SER A 79 20.641 35.748 37.292 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.671 33.549 35.448 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.977 33.920 35.701 1.00 0.00 H new ATOM 0 HG SER A 79 20.836 34.980 33.827 1.00 0.00 H new ATOM 1329 N ILE A 80 22.083 32.963 38.296 1.00 0.00 N ATOM 1330 CA ILE A 80 22.008 31.885 39.272 1.00 0.00 C ATOM 1331 C ILE A 80 23.108 32.058 40.327 1.00 0.00 C ATOM 1332 O ILE A 80 24.267 32.271 39.967 1.00 0.00 O ATOM 1333 CB ILE A 80 22.182 30.513 38.599 1.00 0.00 C ATOM 1334 CG1 ILE A 80 23.591 30.384 38.017 1.00 0.00 C ATOM 1335 CG2 ILE A 80 21.137 30.319 37.512 1.00 0.00 C ATOM 1336 CD1 ILE A 80 23.840 29.066 37.315 1.00 0.00 C ATOM 0 H ILE A 80 22.950 32.983 37.759 1.00 0.00 H new ATOM 0 HA ILE A 80 21.025 31.928 39.740 1.00 0.00 H new ATOM 0 HB ILE A 80 22.044 29.736 39.351 1.00 0.00 H new ATOM 0 HG12 ILE A 80 23.760 31.199 37.313 1.00 0.00 H new ATOM 0 HG13 ILE A 80 24.319 30.501 38.820 1.00 0.00 H new ATOM 0 HG21 ILE A 80 21.274 29.343 37.046 1.00 0.00 H new ATOM 0 HG22 ILE A 80 20.141 30.375 37.951 1.00 0.00 H new ATOM 0 HG23 ILE A 80 21.246 31.100 36.759 1.00 0.00 H new ATOM 0 HD11 ILE A 80 24.859 29.047 36.928 1.00 0.00 H new ATOM 0 HD12 ILE A 80 23.704 28.247 38.021 1.00 0.00 H new ATOM 0 HD13 ILE A 80 23.137 28.955 36.490 1.00 0.00 H new ATOM 1348 N MET A 81 22.758 31.959 41.614 1.00 0.00 N ATOM 1349 CA MET A 81 23.715 32.113 42.714 1.00 0.00 C ATOM 1350 C MET A 81 24.572 33.369 42.562 1.00 0.00 C ATOM 1351 O MET A 81 25.698 33.430 43.053 1.00 0.00 O ATOM 1352 CB MET A 81 24.613 30.875 42.845 1.00 0.00 C ATOM 1353 CG MET A 81 23.879 29.618 43.287 1.00 0.00 C ATOM 1354 SD MET A 81 24.937 28.160 43.352 1.00 0.00 S ATOM 1355 CE MET A 81 23.754 26.905 43.834 1.00 0.00 C ATOM 1356 OXT MET A 81 24.155 34.349 41.946 1.00 0.00 O ATOM 0 H MET A 81 21.804 31.770 41.922 1.00 0.00 H new ATOM 0 HA MET A 81 23.127 32.220 43.626 1.00 0.00 H new ATOM 0 HB2 MET A 81 25.092 30.684 41.885 1.00 0.00 H new ATOM 0 HB3 MET A 81 25.407 31.090 43.560 1.00 0.00 H new ATOM 0 HG2 MET A 81 23.444 29.787 44.272 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.053 29.428 42.602 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.258 25.942 43.916 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.316 27.169 44.797 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.967 26.839 43.083 1.00 0.00 H new TER 1366 MET A 81