USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=29 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 70 THR OG1 : rot -157:sc= 1.21 USER MOD Set 1.2: A 72 ASN : amide:sc= 0.587 K(o=1.8,f=1.1) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 27 THR OG1 : rot 124:sc= 0.16 USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.34 K(o=-1.3,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.2) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -170:sc= -0.468 (180deg=-0.799) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0613 (180deg=-0.378) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 19 CYS SG : rot 36:sc= 0.783 USER MOD Single : A 20 THR OG1 : rot -160:sc= -1.87 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -0.0122 (180deg=-0.141) USER MOD Single : A 25 SER OG : rot 160:sc= -0.502 USER MOD Single : A 28 TYR OH : rot 129:sc= 1.27 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 79:sc= -0.198 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -31:sc= 0.423 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= -0.0382 (180deg=-0.193) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 70:sc= 1.27 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.774) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.771 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0.14 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc=-0.00719 (180deg=-0.158) USER MOD Single : A 61 GLN : amide:sc= -1.25 K(o=-1.3,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 1.18 (180deg=0.994) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 140:sc= 0 USER MOD Single : A 81 MET CE :methyl -163:sc= 0 (180deg=-0.447) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.968 30.092 32.762 1.00 0.00 N1+ ATOM 2 CA MET A 1 16.725 29.975 31.502 1.00 0.00 C ATOM 3 C MET A 1 17.630 28.754 31.564 1.00 0.00 C ATOM 4 O MET A 1 18.619 28.779 32.289 1.00 0.00 O ATOM 5 CB MET A 1 17.505 31.258 31.172 1.00 0.00 C ATOM 6 CG MET A 1 18.110 31.175 29.766 1.00 0.00 C ATOM 7 SD MET A 1 16.855 31.056 28.462 1.00 0.00 S ATOM 8 CE MET A 1 17.882 30.492 27.079 1.00 0.00 C ATOM 0 H1 MET A 1 15.349 30.927 32.719 1.00 0.00 H new ATOM 0 H2 MET A 1 15.389 29.239 32.900 1.00 0.00 H new ATOM 0 H3 MET A 1 16.631 30.193 33.557 1.00 0.00 H new ATOM 0 HA MET A 1 16.017 29.841 30.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.842 32.120 31.238 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.297 31.408 31.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.728 32.056 29.589 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.768 30.308 29.710 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.261 30.368 26.192 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.659 31.230 26.878 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.345 29.539 27.334 1.00 0.00 H new ATOM 20 N ALA A 2 17.286 27.684 30.845 1.00 0.00 N ATOM 21 CA ALA A 2 18.115 26.484 30.715 1.00 0.00 C ATOM 22 C ALA A 2 19.334 26.700 29.793 1.00 0.00 C ATOM 23 O ALA A 2 19.367 27.629 28.983 1.00 0.00 O ATOM 24 CB ALA A 2 17.233 25.332 30.218 1.00 0.00 C ATOM 0 H ALA A 2 16.409 27.626 30.328 1.00 0.00 H new ATOM 0 HA ALA A 2 18.528 26.239 31.694 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.836 24.430 30.116 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.431 25.153 30.934 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.804 25.593 29.251 1.00 0.00 H new ATOM 30 N VAL A 3 20.325 25.807 29.886 1.00 0.00 N ATOM 31 CA VAL A 3 21.559 25.808 29.076 1.00 0.00 C ATOM 32 C VAL A 3 21.781 24.449 28.399 1.00 0.00 C ATOM 33 O VAL A 3 21.251 23.431 28.845 1.00 0.00 O ATOM 34 CB VAL A 3 22.794 26.219 29.914 1.00 0.00 C ATOM 35 CG1 VAL A 3 22.660 27.633 30.492 1.00 0.00 C ATOM 36 CG2 VAL A 3 23.107 25.248 31.061 1.00 0.00 C ATOM 0 H VAL A 3 20.294 25.033 30.550 1.00 0.00 H new ATOM 0 HA VAL A 3 21.431 26.556 28.294 1.00 0.00 H new ATOM 0 HB VAL A 3 23.622 26.190 29.206 1.00 0.00 H new ATOM 0 HG11 VAL A 3 23.551 27.875 31.072 1.00 0.00 H new ATOM 0 HG12 VAL A 3 22.551 28.350 29.678 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.783 27.681 31.138 1.00 0.00 H new ATOM 0 HG21 VAL A 3 23.984 25.598 31.605 1.00 0.00 H new ATOM 0 HG22 VAL A 3 22.255 25.199 31.739 1.00 0.00 H new ATOM 0 HG23 VAL A 3 23.305 24.256 30.654 1.00 0.00 H new ATOM 46 N ASN A 4 22.546 24.458 27.310 1.00 0.00 N ATOM 47 CA ASN A 4 22.847 23.237 26.575 1.00 0.00 C ATOM 48 C ASN A 4 24.023 22.551 27.273 1.00 0.00 C ATOM 49 O ASN A 4 25.058 23.179 27.494 1.00 0.00 O ATOM 50 CB ASN A 4 23.209 23.559 25.126 1.00 0.00 C ATOM 51 CG ASN A 4 22.086 24.258 24.384 1.00 0.00 C ATOM 52 OD1 ASN A 4 22.315 24.924 23.375 1.00 0.00 O ATOM 53 ND2 ASN A 4 20.863 24.109 24.881 1.00 0.00 N ATOM 0 H ASN A 4 22.968 25.300 26.918 1.00 0.00 H new ATOM 0 HA ASN A 4 21.976 22.582 26.561 1.00 0.00 H new ATOM 0 HB2 ASN A 4 24.098 24.190 25.109 1.00 0.00 H new ATOM 0 HB3 ASN A 4 23.464 22.636 24.606 1.00 0.00 H new ATOM 0 HD21 ASN A 4 20.069 24.556 24.423 1.00 0.00 H new ATOM 0 HD22 ASN A 4 20.718 23.548 25.720 1.00 0.00 H new ATOM 60 N LYS A 5 23.878 21.275 27.621 1.00 0.00 N ATOM 61 CA LYS A 5 24.935 20.561 28.325 1.00 0.00 C ATOM 62 C LYS A 5 26.250 20.362 27.570 1.00 0.00 C ATOM 63 O LYS A 5 27.321 20.533 28.152 1.00 0.00 O ATOM 64 CB LYS A 5 24.414 19.193 28.775 1.00 0.00 C ATOM 65 CG LYS A 5 23.271 19.263 29.775 1.00 0.00 C ATOM 66 CD LYS A 5 22.845 17.875 30.225 1.00 0.00 C ATOM 67 CE LYS A 5 21.739 17.940 31.264 1.00 0.00 C ATOM 68 NZ LYS A 5 21.338 16.588 31.738 1.00 0.00 N1+ ATOM 0 H LYS A 5 23.045 20.719 27.428 1.00 0.00 H new ATOM 0 HA LYS A 5 25.187 21.214 29.161 1.00 0.00 H new ATOM 0 HB2 LYS A 5 24.082 18.636 27.899 1.00 0.00 H new ATOM 0 HB3 LYS A 5 25.236 18.631 29.218 1.00 0.00 H new ATOM 0 HG2 LYS A 5 23.578 19.850 30.641 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.422 19.778 29.325 1.00 0.00 H new ATOM 0 HD2 LYS A 5 22.503 17.302 29.364 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.704 17.346 30.639 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.074 18.537 32.112 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.872 18.447 30.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.581 16.679 32.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.994 16.026 30.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.158 16.113 32.167 1.00 0.00 H new ATOM 82 N ASN A 6 26.190 20.005 26.289 1.00 0.00 N ATOM 83 CA ASN A 6 27.429 19.731 25.563 1.00 0.00 C ATOM 84 C ASN A 6 28.395 20.903 25.380 1.00 0.00 C ATOM 85 O ASN A 6 29.583 20.759 25.672 1.00 0.00 O ATOM 86 CB ASN A 6 27.093 19.150 24.185 1.00 0.00 C ATOM 87 CG ASN A 6 26.548 17.738 24.265 1.00 0.00 C ATOM 88 OD1 ASN A 6 26.789 17.021 25.237 1.00 0.00 O ATOM 89 ND2 ASN A 6 25.808 17.330 23.240 1.00 0.00 N ATOM 0 H ASN A 6 25.332 19.901 25.748 1.00 0.00 H new ATOM 0 HA ASN A 6 27.962 19.027 26.202 1.00 0.00 H new ATOM 0 HB2 ASN A 6 26.361 19.791 23.693 1.00 0.00 H new ATOM 0 HB3 ASN A 6 27.989 19.155 23.564 1.00 0.00 H new ATOM 0 HD21 ASN A 6 25.414 16.389 23.238 1.00 0.00 H new ATOM 0 HD22 ASN A 6 25.634 17.958 22.455 1.00 0.00 H new ATOM 96 N GLU A 7 27.925 22.055 24.909 1.00 0.00 N ATOM 97 CA GLU A 7 28.857 23.185 24.779 1.00 0.00 C ATOM 98 C GLU A 7 29.015 23.964 26.098 1.00 0.00 C ATOM 99 O GLU A 7 30.126 24.275 26.532 1.00 0.00 O ATOM 100 CB GLU A 7 28.396 24.153 23.673 1.00 0.00 C ATOM 101 CG GLU A 7 28.235 23.523 22.282 1.00 0.00 C ATOM 102 CD GLU A 7 26.796 23.130 21.941 1.00 0.00 C ATOM 103 OE1 GLU A 7 26.072 22.616 22.827 1.00 0.00 O ATOM 104 OE2 GLU A 7 26.376 23.373 20.779 1.00 0.00 O ATOM 0 H GLU A 7 26.962 22.233 24.624 1.00 0.00 H new ATOM 0 HA GLU A 7 29.825 22.759 24.515 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.443 24.591 23.969 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.114 24.970 23.604 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.597 24.226 21.532 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.867 22.637 22.220 1.00 0.00 H new ATOM 111 N TYR A 8 27.906 24.282 26.774 1.00 0.00 N ATOM 112 CA TYR A 8 27.881 25.075 28.013 1.00 0.00 C ATOM 113 C TYR A 8 28.594 24.377 29.176 1.00 0.00 C ATOM 114 O TYR A 8 28.946 25.052 30.139 1.00 0.00 O ATOM 115 CB TYR A 8 26.440 25.511 28.347 1.00 0.00 C ATOM 116 CG TYR A 8 26.370 26.825 29.103 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.528 26.830 30.478 1.00 0.00 C ATOM 118 CD2 TYR A 8 26.236 28.020 28.404 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.573 28.023 31.171 1.00 0.00 C ATOM 120 CE2 TYR A 8 26.280 29.221 29.098 1.00 0.00 C ATOM 121 CZ TYR A 8 26.463 29.214 30.475 1.00 0.00 C ATOM 122 OH TYR A 8 26.575 30.366 31.165 1.00 0.00 O ATOM 0 H TYR A 8 26.978 23.989 26.470 1.00 0.00 H new ATOM 0 HA TYR A 8 28.458 25.984 27.843 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.872 25.602 27.421 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.961 24.732 28.940 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.617 25.895 31.012 1.00 0.00 H new ATOM 0 HD2 TYR A 8 26.099 28.013 27.333 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.693 28.027 32.244 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.172 30.157 28.570 1.00 0.00 H new ATOM 0 HH TYR A 8 26.479 31.125 30.552 1.00 0.00 H new ATOM 132 N LYS A 9 28.947 23.082 29.068 1.00 0.00 N ATOM 133 CA LYS A 9 29.835 22.418 30.040 1.00 0.00 C ATOM 134 C LYS A 9 31.122 23.227 30.276 1.00 0.00 C ATOM 135 O LYS A 9 31.591 23.352 31.405 1.00 0.00 O ATOM 136 CB LYS A 9 30.217 21.006 29.554 1.00 0.00 C ATOM 137 CG LYS A 9 30.533 20.050 30.716 1.00 0.00 C ATOM 138 CD LYS A 9 30.737 18.582 30.300 1.00 0.00 C ATOM 139 CE LYS A 9 30.657 17.591 31.473 1.00 0.00 C ATOM 140 NZ LYS A 9 30.859 16.195 31.023 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.629 22.473 28.314 1.00 0.00 H new ATOM 0 HA LYS A 9 29.284 22.349 30.978 1.00 0.00 H new ATOM 0 HB2 LYS A 9 29.399 20.595 28.962 1.00 0.00 H new ATOM 0 HB3 LYS A 9 31.084 21.073 28.897 1.00 0.00 H new ATOM 0 HG2 LYS A 9 31.433 20.399 31.222 1.00 0.00 H new ATOM 0 HG3 LYS A 9 29.720 20.099 31.441 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.984 18.316 29.559 1.00 0.00 H new ATOM 0 HD3 LYS A 9 31.709 18.482 29.817 1.00 0.00 H new ATOM 0 HE2 LYS A 9 31.411 17.846 32.218 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.686 17.680 31.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.798 15.555 31.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.125 15.944 30.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 31.796 16.105 30.581 1.00 0.00 H new ATOM 154 N ILE A 10 31.668 23.807 29.205 1.00 0.00 N ATOM 155 CA ILE A 10 32.880 24.641 29.202 1.00 0.00 C ATOM 156 C ILE A 10 32.691 25.893 30.064 1.00 0.00 C ATOM 157 O ILE A 10 33.513 26.189 30.929 1.00 0.00 O ATOM 158 CB ILE A 10 33.215 25.018 27.746 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.651 23.758 26.970 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.294 26.112 27.654 1.00 0.00 C ATOM 161 CD1 ILE A 10 33.416 23.879 25.468 1.00 0.00 C ATOM 0 H ILE A 10 31.263 23.706 28.274 1.00 0.00 H new ATOM 0 HA ILE A 10 33.708 24.079 29.633 1.00 0.00 H new ATOM 0 HB ILE A 10 32.312 25.431 27.296 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.709 23.571 27.154 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.104 22.895 27.350 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.492 26.340 26.607 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.945 27.011 28.161 1.00 0.00 H new ATOM 0 HG23 ILE A 10 35.210 25.760 28.129 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.741 22.964 24.974 1.00 0.00 H new ATOM 0 HD12 ILE A 10 32.354 24.037 25.277 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.984 24.723 25.078 1.00 0.00 H new ATOM 173 N LEU A 11 31.568 26.590 29.867 1.00 0.00 N ATOM 174 CA LEU A 11 31.172 27.791 30.610 1.00 0.00 C ATOM 175 C LEU A 11 30.786 27.505 32.075 1.00 0.00 C ATOM 176 O LEU A 11 30.539 28.430 32.842 1.00 0.00 O ATOM 177 CB LEU A 11 30.041 28.497 29.834 1.00 0.00 C ATOM 178 CG LEU A 11 30.512 29.132 28.502 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.336 29.624 27.679 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.455 30.321 28.716 1.00 0.00 C ATOM 0 H LEU A 11 30.884 26.324 29.159 1.00 0.00 H new ATOM 0 HA LEU A 11 32.035 28.452 30.682 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.250 27.777 29.625 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.607 29.273 30.465 1.00 0.00 H new ATOM 0 HG LEU A 11 31.045 28.339 27.977 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.700 30.064 26.751 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.677 28.787 27.449 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.785 30.375 28.245 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.754 30.727 27.750 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.943 31.092 29.291 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.340 29.990 29.260 1.00 0.00 H new ATOM 192 N ILE A 12 30.783 26.233 32.478 1.00 0.00 N ATOM 193 CA ILE A 12 30.558 25.783 33.858 1.00 0.00 C ATOM 194 C ILE A 12 31.881 25.362 34.516 1.00 0.00 C ATOM 195 O ILE A 12 32.090 25.615 35.700 1.00 0.00 O ATOM 196 CB ILE A 12 29.482 24.674 33.869 1.00 0.00 C ATOM 197 CG1 ILE A 12 28.149 25.217 33.294 1.00 0.00 C ATOM 198 CG2 ILE A 12 29.269 24.125 35.294 1.00 0.00 C ATOM 199 CD1 ILE A 12 27.180 24.117 32.850 1.00 0.00 C ATOM 0 H ILE A 12 30.942 25.459 31.833 1.00 0.00 H new ATOM 0 HA ILE A 12 30.176 26.605 34.463 1.00 0.00 H new ATOM 0 HB ILE A 12 29.830 23.854 33.240 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.663 25.835 34.048 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.366 25.863 32.444 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.507 23.346 35.274 1.00 0.00 H new ATOM 0 HG22 ILE A 12 30.204 23.708 35.667 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.945 24.933 35.950 1.00 0.00 H new ATOM 0 HD11 ILE A 12 26.269 24.571 32.459 1.00 0.00 H new ATOM 0 HD12 ILE A 12 27.647 23.512 32.073 1.00 0.00 H new ATOM 0 HD13 ILE A 12 26.933 23.484 33.702 1.00 0.00 H new ATOM 211 N MET A 13 32.831 24.809 33.755 1.00 0.00 N ATOM 212 CA MET A 13 34.151 24.407 34.269 1.00 0.00 C ATOM 213 C MET A 13 34.916 25.571 34.918 1.00 0.00 C ATOM 214 O MET A 13 35.468 25.425 36.003 1.00 0.00 O ATOM 215 CB MET A 13 34.983 23.794 33.133 1.00 0.00 C ATOM 216 CG MET A 13 34.466 22.412 32.711 1.00 0.00 C ATOM 217 SD MET A 13 34.465 21.157 34.012 1.00 0.00 S ATOM 218 CE MET A 13 36.224 20.727 34.095 1.00 0.00 C ATOM 0 H MET A 13 32.708 24.625 32.759 1.00 0.00 H new ATOM 0 HA MET A 13 33.983 23.666 35.051 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.968 24.463 32.273 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.022 23.709 33.452 1.00 0.00 H new ATOM 0 HG2 MET A 13 33.449 22.522 32.335 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.075 22.052 31.882 1.00 0.00 H new ATOM 0 HE1 MET A 13 36.354 19.845 34.722 1.00 0.00 H new ATOM 0 HE2 MET A 13 36.595 20.516 33.092 1.00 0.00 H new ATOM 0 HE3 MET A 13 36.783 21.561 34.521 1.00 0.00 H new ATOM 228 N LEU A 14 34.903 26.759 34.303 1.00 0.00 N ATOM 229 CA LEU A 14 35.532 27.955 34.887 1.00 0.00 C ATOM 230 C LEU A 14 34.818 28.485 36.138 1.00 0.00 C ATOM 231 O LEU A 14 35.499 29.001 37.022 1.00 0.00 O ATOM 232 CB LEU A 14 35.735 29.086 33.860 1.00 0.00 C ATOM 233 CG LEU A 14 34.676 29.244 32.757 1.00 0.00 C ATOM 234 CD1 LEU A 14 33.436 29.956 33.295 1.00 0.00 C ATOM 235 CD2 LEU A 14 35.235 30.061 31.613 1.00 0.00 C ATOM 0 H LEU A 14 34.463 26.921 33.397 1.00 0.00 H new ATOM 0 HA LEU A 14 36.515 27.610 35.208 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.795 30.028 34.405 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.701 28.934 33.379 1.00 0.00 H new ATOM 0 HG LEU A 14 34.404 28.247 32.411 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.700 30.057 32.498 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.009 29.375 34.112 1.00 0.00 H new ATOM 0 HD13 LEU A 14 33.714 30.945 33.660 1.00 0.00 H new ATOM 0 HD21 LEU A 14 34.477 30.167 30.837 1.00 0.00 H new ATOM 0 HD22 LEU A 14 35.522 31.048 31.977 1.00 0.00 H new ATOM 0 HD23 LEU A 14 36.109 29.558 31.200 1.00 0.00 H new ATOM 247 N LYS A 15 33.493 28.316 36.249 1.00 0.00 N ATOM 248 CA LYS A 15 32.703 28.639 37.453 1.00 0.00 C ATOM 249 C LYS A 15 33.265 27.885 38.657 1.00 0.00 C ATOM 250 O LYS A 15 33.416 28.454 39.734 1.00 0.00 O ATOM 251 CB LYS A 15 31.219 28.290 37.187 1.00 0.00 C ATOM 252 CG LYS A 15 30.301 28.087 38.402 1.00 0.00 C ATOM 253 CD LYS A 15 30.421 29.137 39.518 1.00 0.00 C ATOM 254 CE LYS A 15 29.222 29.122 40.481 1.00 0.00 C ATOM 255 NZ LYS A 15 27.966 29.515 39.798 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.925 27.943 35.489 1.00 0.00 H new ATOM 0 HA LYS A 15 32.766 29.703 37.680 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.793 29.085 36.575 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.191 27.378 36.590 1.00 0.00 H new ATOM 0 HG2 LYS A 15 29.268 28.072 38.054 1.00 0.00 H new ATOM 0 HG3 LYS A 15 30.508 27.106 38.829 1.00 0.00 H new ATOM 0 HD2 LYS A 15 31.336 28.958 40.082 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.510 30.127 39.071 1.00 0.00 H new ATOM 0 HE2 LYS A 15 29.109 28.125 40.906 1.00 0.00 H new ATOM 0 HE3 LYS A 15 29.413 29.802 41.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 27.262 29.805 40.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 28.155 30.308 39.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 27.599 28.707 39.255 1.00 0.00 H new ATOM 269 N GLU A 16 33.635 26.620 38.456 1.00 0.00 N ATOM 270 CA GLU A 16 34.189 25.752 39.499 1.00 0.00 C ATOM 271 C GLU A 16 35.713 25.837 39.700 1.00 0.00 C ATOM 272 O GLU A 16 36.242 25.140 40.567 1.00 0.00 O ATOM 273 CB GLU A 16 33.721 24.301 39.281 1.00 0.00 C ATOM 274 CG GLU A 16 32.199 24.114 39.398 1.00 0.00 C ATOM 275 CD GLU A 16 31.609 24.610 40.728 1.00 0.00 C ATOM 276 OE1 GLU A 16 32.346 24.814 41.722 1.00 0.00 O ATOM 277 OE2 GLU A 16 30.377 24.826 40.783 1.00 0.00 O ATOM 0 H GLU A 16 33.557 26.161 37.549 1.00 0.00 H new ATOM 0 HA GLU A 16 33.789 26.135 40.438 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.043 23.970 38.294 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.214 23.657 40.010 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.714 24.643 38.577 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.963 23.057 39.279 1.00 0.00 H new ATOM 284 N ASN A 17 36.412 26.713 38.969 1.00 0.00 N ATOM 285 CA ASN A 17 37.860 26.928 39.035 1.00 0.00 C ATOM 286 C ASN A 17 38.200 28.433 39.140 1.00 0.00 C ATOM 287 O ASN A 17 39.365 28.802 39.001 1.00 0.00 O ATOM 288 CB ASN A 17 38.530 26.256 37.812 1.00 0.00 C ATOM 289 CG ASN A 17 38.699 24.753 37.961 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.764 23.974 37.880 1.00 0.00 O ATOM 291 ND2 ASN A 17 39.911 24.292 38.152 1.00 0.00 N ATOM 0 H ASN A 17 35.961 27.319 38.284 1.00 0.00 H new ATOM 0 HA ASN A 17 38.255 26.466 39.939 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.933 26.460 36.923 1.00 0.00 H new ATOM 0 HB3 ASN A 17 39.508 26.709 37.649 1.00 0.00 H new ATOM 0 HD21 ASN A 17 40.068 23.287 38.232 1.00 0.00 H new ATOM 0 HD22 ASN A 17 40.697 24.938 38.221 1.00 0.00 H new ATOM 298 N GLN A 18 37.177 29.282 39.209 1.00 0.00 N ATOM 299 CA GLN A 18 37.376 30.729 39.320 1.00 0.00 C ATOM 300 C GLN A 18 38.282 31.270 38.208 1.00 0.00 C ATOM 301 O GLN A 18 39.133 32.122 38.462 1.00 0.00 O ATOM 302 CB GLN A 18 37.970 31.078 40.685 1.00 0.00 C ATOM 303 CG GLN A 18 37.077 30.708 41.858 1.00 0.00 C ATOM 304 CD GLN A 18 37.691 31.075 43.196 1.00 0.00 C ATOM 305 OE1 GLN A 18 38.810 31.585 43.259 1.00 0.00 O ATOM 306 NE2 GLN A 18 36.960 30.815 44.273 1.00 0.00 N ATOM 0 H GLN A 18 36.199 28.994 39.190 1.00 0.00 H new ATOM 0 HA GLN A 18 36.399 31.200 39.214 1.00 0.00 H new ATOM 0 HB2 GLN A 18 38.927 30.568 40.795 1.00 0.00 H new ATOM 0 HB3 GLN A 18 38.173 32.148 40.719 1.00 0.00 H new ATOM 0 HG2 GLN A 18 36.117 31.213 41.752 1.00 0.00 H new ATOM 0 HG3 GLN A 18 36.878 29.637 41.835 1.00 0.00 H new ATOM 0 HE21 GLN A 18 36.037 30.391 44.173 1.00 0.00 H new ATOM 0 HE22 GLN A 18 37.321 31.039 45.200 1.00 0.00 H new ATOM 315 N CYS A 19 38.104 30.779 36.985 1.00 0.00 N ATOM 316 CA CYS A 19 38.952 31.193 35.864 1.00 0.00 C ATOM 317 C CYS A 19 38.357 32.144 34.811 1.00 0.00 C ATOM 318 O CYS A 19 38.987 32.363 33.777 1.00 0.00 O ATOM 319 CB CYS A 19 39.485 29.948 35.147 1.00 0.00 C ATOM 320 SG CYS A 19 40.467 28.851 36.196 1.00 0.00 S ATOM 0 H CYS A 19 37.385 30.097 36.742 1.00 0.00 H new ATOM 0 HA CYS A 19 39.725 31.790 36.349 1.00 0.00 H new ATOM 0 HB2 CYS A 19 38.643 29.387 34.742 1.00 0.00 H new ATOM 0 HB3 CYS A 19 40.094 30.263 34.300 1.00 0.00 H new ATOM 0 HG CYS A 19 39.976 28.847 37.400 1.00 0.00 H new ATOM 326 N THR A 20 37.174 32.708 35.040 1.00 0.00 N ATOM 327 CA THR A 20 36.584 33.581 34.021 1.00 0.00 C ATOM 328 C THR A 20 36.779 35.097 34.243 1.00 0.00 C ATOM 329 O THR A 20 36.114 35.687 35.094 1.00 0.00 O ATOM 330 CB THR A 20 35.067 33.331 33.915 1.00 0.00 C ATOM 331 OG1 THR A 20 34.506 34.179 32.906 1.00 0.00 O ATOM 332 CG2 THR A 20 34.385 33.609 35.247 1.00 0.00 C ATOM 0 H THR A 20 36.620 32.586 35.888 1.00 0.00 H new ATOM 0 HA THR A 20 37.122 33.317 33.111 1.00 0.00 H new ATOM 0 HB THR A 20 34.906 32.287 33.648 1.00 0.00 H new ATOM 0 HG1 THR A 20 33.540 34.261 33.048 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.314 33.427 35.153 1.00 0.00 H new ATOM 0 HG22 THR A 20 34.799 32.952 36.012 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.553 34.648 35.532 1.00 0.00 H new ATOM 340 N THR A 21 37.710 35.710 33.522 1.00 0.00 N ATOM 341 CA THR A 21 37.954 37.141 33.682 1.00 0.00 C ATOM 342 C THR A 21 38.605 37.745 32.443 1.00 0.00 C ATOM 343 O THR A 21 39.122 37.027 31.600 1.00 0.00 O ATOM 344 CB THR A 21 38.843 37.408 34.911 1.00 0.00 C ATOM 345 OG1 THR A 21 39.022 38.819 35.084 1.00 0.00 O ATOM 346 CG2 THR A 21 40.195 36.738 34.738 1.00 0.00 C ATOM 0 H THR A 21 38.301 35.249 32.831 1.00 0.00 H new ATOM 0 HA THR A 21 36.984 37.616 33.826 1.00 0.00 H new ATOM 0 HB THR A 21 38.355 36.995 35.794 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.587 38.983 35.868 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.813 36.935 35.614 1.00 0.00 H new ATOM 0 HG22 THR A 21 40.056 35.663 34.626 1.00 0.00 H new ATOM 0 HG23 THR A 21 40.687 37.135 33.850 1.00 0.00 H new ATOM 354 N GLU A 22 38.531 39.064 32.307 1.00 0.00 N ATOM 355 CA GLU A 22 39.155 39.737 31.173 1.00 0.00 C ATOM 356 C GLU A 22 40.681 39.598 31.209 1.00 0.00 C ATOM 357 O GLU A 22 41.321 39.381 30.180 1.00 0.00 O ATOM 358 CB GLU A 22 38.751 41.214 31.139 1.00 0.00 C ATOM 359 CG GLU A 22 38.858 41.926 32.478 1.00 0.00 C ATOM 360 CD GLU A 22 38.216 43.300 32.460 1.00 0.00 C ATOM 361 OE1 GLU A 22 37.697 43.700 31.397 1.00 0.00 O ATOM 362 OE2 GLU A 22 38.230 43.978 33.508 1.00 0.00 O ATOM 0 H GLU A 22 38.051 39.683 32.960 1.00 0.00 H new ATOM 0 HA GLU A 22 38.799 39.255 30.262 1.00 0.00 H new ATOM 0 HB2 GLU A 22 39.378 41.733 30.414 1.00 0.00 H new ATOM 0 HB3 GLU A 22 37.724 41.289 30.783 1.00 0.00 H new ATOM 0 HG2 GLU A 22 38.384 41.317 33.248 1.00 0.00 H new ATOM 0 HG3 GLU A 22 39.909 42.023 32.751 1.00 0.00 H new ATOM 369 N LEU A 23 41.248 39.726 32.404 1.00 0.00 N ATOM 370 CA LEU A 23 42.695 39.651 32.615 1.00 0.00 C ATOM 371 C LEU A 23 43.334 38.298 32.296 1.00 0.00 C ATOM 372 O LEU A 23 44.427 38.242 31.730 1.00 0.00 O ATOM 373 CB LEU A 23 43.025 40.035 34.061 1.00 0.00 C ATOM 374 CG LEU A 23 44.510 40.166 34.410 1.00 0.00 C ATOM 375 CD1 LEU A 23 44.682 40.908 35.727 1.00 0.00 C ATOM 376 CD2 LEU A 23 45.187 38.805 34.466 1.00 0.00 C ATOM 0 H LEU A 23 40.717 39.886 33.260 1.00 0.00 H new ATOM 0 HA LEU A 23 43.124 40.354 31.901 1.00 0.00 H new ATOM 0 HB2 LEU A 23 42.537 40.985 34.282 1.00 0.00 H new ATOM 0 HB3 LEU A 23 42.584 39.289 34.722 1.00 0.00 H new ATOM 0 HG LEU A 23 44.992 40.743 33.620 1.00 0.00 H new ATOM 0 HD11 LEU A 23 45.743 40.993 35.961 1.00 0.00 H new ATOM 0 HD12 LEU A 23 44.248 41.904 35.643 1.00 0.00 H new ATOM 0 HD13 LEU A 23 44.178 40.359 36.522 1.00 0.00 H new ATOM 0 HD21 LEU A 23 46.240 38.933 34.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 44.705 38.190 35.226 1.00 0.00 H new ATOM 0 HD23 LEU A 23 45.101 38.316 33.496 1.00 0.00 H new ATOM 388 N LYS A 24 42.662 37.218 32.644 1.00 0.00 N ATOM 389 CA LYS A 24 43.198 35.875 32.428 1.00 0.00 C ATOM 390 C LYS A 24 42.492 35.152 31.290 1.00 0.00 C ATOM 391 O LYS A 24 41.262 35.140 31.220 1.00 0.00 O ATOM 392 CB LYS A 24 43.076 35.052 33.712 1.00 0.00 C ATOM 393 CG LYS A 24 43.736 35.691 34.923 1.00 0.00 C ATOM 394 CD LYS A 24 43.772 34.733 36.103 1.00 0.00 C ATOM 395 CE LYS A 24 44.388 35.386 37.329 1.00 0.00 C ATOM 396 NZ LYS A 24 45.810 35.766 37.106 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.740 37.238 33.080 1.00 0.00 H new ATOM 0 HA LYS A 24 44.247 35.984 32.152 1.00 0.00 H new ATOM 0 HB2 LYS A 24 42.020 34.892 33.929 1.00 0.00 H new ATOM 0 HB3 LYS A 24 43.520 34.070 33.545 1.00 0.00 H new ATOM 0 HG2 LYS A 24 44.751 35.995 34.668 1.00 0.00 H new ATOM 0 HG3 LYS A 24 43.193 36.594 35.202 1.00 0.00 H new ATOM 0 HD2 LYS A 24 42.760 34.401 36.335 1.00 0.00 H new ATOM 0 HD3 LYS A 24 44.345 33.845 35.835 1.00 0.00 H new ATOM 0 HE2 LYS A 24 43.813 36.273 37.594 1.00 0.00 H new ATOM 0 HE3 LYS A 24 44.325 34.701 38.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 46.239 36.050 38.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 46.329 34.954 36.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 45.856 36.561 36.437 1.00 0.00 H new ATOM 410 N SER A 25 43.269 34.542 30.410 1.00 0.00 N ATOM 411 CA SER A 25 42.706 33.830 29.272 1.00 0.00 C ATOM 412 C SER A 25 42.878 32.327 29.461 1.00 0.00 C ATOM 413 O SER A 25 43.982 31.840 29.703 1.00 0.00 O ATOM 414 CB SER A 25 43.381 34.277 27.975 1.00 0.00 C ATOM 415 OG SER A 25 43.192 35.663 27.754 1.00 0.00 O ATOM 0 H SER A 25 44.288 34.525 30.460 1.00 0.00 H new ATOM 0 HA SER A 25 41.643 34.061 29.207 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.447 34.055 28.021 1.00 0.00 H new ATOM 0 HB3 SER A 25 42.974 33.713 27.136 1.00 0.00 H new ATOM 0 HG SER A 25 43.870 35.990 27.127 1.00 0.00 H new ATOM 421 N PHE A 26 41.771 31.602 29.351 1.00 0.00 N ATOM 422 CA PHE A 26 41.794 30.146 29.531 1.00 0.00 C ATOM 423 C PHE A 26 42.325 29.452 28.268 1.00 0.00 C ATOM 424 O PHE A 26 41.617 29.267 27.276 1.00 0.00 O ATOM 425 CB PHE A 26 40.400 29.628 29.953 1.00 0.00 C ATOM 426 CG PHE A 26 40.381 28.511 30.987 1.00 0.00 C ATOM 427 CD1 PHE A 26 41.391 27.530 31.037 1.00 0.00 C ATOM 428 CD2 PHE A 26 39.320 28.453 31.915 1.00 0.00 C ATOM 429 CE1 PHE A 26 41.345 26.526 32.023 1.00 0.00 C ATOM 430 CE2 PHE A 26 39.290 27.454 32.907 1.00 0.00 C ATOM 431 CZ PHE A 26 40.318 26.505 32.978 1.00 0.00 C ATOM 0 H PHE A 26 40.851 31.989 29.140 1.00 0.00 H new ATOM 0 HA PHE A 26 42.482 29.899 30.340 1.00 0.00 H new ATOM 0 HB2 PHE A 26 39.827 30.468 30.346 1.00 0.00 H new ATOM 0 HB3 PHE A 26 39.881 29.278 29.061 1.00 0.00 H new ATOM 0 HD1 PHE A 26 42.199 27.548 30.320 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.524 29.181 31.864 1.00 0.00 H new ATOM 0 HE1 PHE A 26 42.109 25.763 32.044 1.00 0.00 H new ATOM 0 HE2 PHE A 26 38.474 27.419 33.614 1.00 0.00 H new ATOM 0 HZ PHE A 26 40.320 25.763 33.762 1.00 0.00 H new ATOM 441 N THR A 27 43.589 29.043 28.308 1.00 0.00 N ATOM 442 CA THR A 27 44.271 28.355 27.207 1.00 0.00 C ATOM 443 C THR A 27 43.634 26.999 26.887 1.00 0.00 C ATOM 444 O THR A 27 43.278 26.228 27.784 1.00 0.00 O ATOM 445 CB THR A 27 45.749 28.134 27.555 1.00 0.00 C ATOM 446 OG1 THR A 27 45.831 27.419 28.766 1.00 0.00 O ATOM 447 CG2 THR A 27 46.517 29.447 27.708 1.00 0.00 C ATOM 0 H THR A 27 44.185 29.182 29.124 1.00 0.00 H new ATOM 0 HA THR A 27 44.177 28.994 26.329 1.00 0.00 H new ATOM 0 HB THR A 27 46.201 27.579 26.733 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.362 26.607 28.631 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.557 29.234 27.954 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.473 30.006 26.773 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.070 30.039 28.506 1.00 0.00 H new ATOM 455 N TYR A 28 43.564 26.647 25.597 1.00 0.00 N ATOM 456 CA TYR A 28 43.109 25.318 25.164 1.00 0.00 C ATOM 457 C TYR A 28 43.954 24.183 25.777 1.00 0.00 C ATOM 458 O TYR A 28 43.412 23.134 26.104 1.00 0.00 O ATOM 459 CB TYR A 28 43.142 25.211 23.633 1.00 0.00 C ATOM 460 CG TYR A 28 42.279 26.189 22.847 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.875 26.185 22.994 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.876 27.032 21.887 1.00 0.00 C ATOM 463 CE1 TYR A 28 40.070 26.986 22.160 1.00 0.00 C ATOM 464 CE2 TYR A 28 42.073 27.833 21.052 1.00 0.00 C ATOM 465 CZ TYR A 28 40.668 27.793 21.171 1.00 0.00 C ATOM 466 OH TYR A 28 39.904 28.501 20.303 1.00 0.00 O ATOM 0 H TYR A 28 43.819 27.269 24.829 1.00 0.00 H new ATOM 0 HA TYR A 28 42.085 25.203 25.520 1.00 0.00 H new ATOM 0 HB2 TYR A 28 44.175 25.336 23.308 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.842 24.200 23.359 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.416 25.565 23.750 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.951 27.063 21.792 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.997 26.982 22.278 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.534 28.479 20.319 1.00 0.00 H new ATOM 0 HH TYR A 28 40.204 29.434 20.289 1.00 0.00 H new ATOM 476 N THR A 29 45.254 24.402 26.008 1.00 0.00 N ATOM 477 CA THR A 29 46.164 23.439 26.657 1.00 0.00 C ATOM 478 C THR A 29 45.682 22.999 28.042 1.00 0.00 C ATOM 479 O THR A 29 45.796 21.816 28.364 1.00 0.00 O ATOM 480 CB THR A 29 47.589 24.019 26.755 1.00 0.00 C ATOM 481 OG1 THR A 29 47.601 25.224 27.492 1.00 0.00 O ATOM 482 CG2 THR A 29 48.141 24.357 25.371 1.00 0.00 C ATOM 0 H THR A 29 45.717 25.272 25.745 1.00 0.00 H new ATOM 0 HA THR A 29 46.173 22.551 26.025 1.00 0.00 H new ATOM 0 HB THR A 29 48.195 23.256 27.244 1.00 0.00 H new ATOM 0 HG1 THR A 29 48.517 25.569 27.540 1.00 0.00 H new ATOM 0 HG21 THR A 29 49.147 24.764 25.470 1.00 0.00 H new ATOM 0 HG22 THR A 29 48.173 23.454 24.762 1.00 0.00 H new ATOM 0 HG23 THR A 29 47.497 25.095 24.892 1.00 0.00 H new ATOM 490 N LYS A 30 45.078 23.899 28.831 1.00 0.00 N ATOM 491 CA LYS A 30 44.400 23.548 30.089 1.00 0.00 C ATOM 492 C LYS A 30 42.946 23.105 29.864 1.00 0.00 C ATOM 493 O LYS A 30 42.507 22.130 30.475 1.00 0.00 O ATOM 494 CB LYS A 30 44.524 24.727 31.059 1.00 0.00 C ATOM 495 CG LYS A 30 44.287 24.303 32.523 1.00 0.00 C ATOM 496 CD LYS A 30 44.602 25.486 33.439 1.00 0.00 C ATOM 497 CE LYS A 30 44.492 25.163 34.934 1.00 0.00 C ATOM 498 NZ LYS A 30 43.198 25.553 35.544 1.00 0.00 N1+ ATOM 0 H LYS A 30 45.045 24.895 28.614 1.00 0.00 H new ATOM 0 HA LYS A 30 44.888 22.680 30.533 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.516 25.169 30.966 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.804 25.498 30.785 1.00 0.00 H new ATOM 0 HG2 LYS A 30 43.254 23.985 32.661 1.00 0.00 H new ATOM 0 HG3 LYS A 30 44.919 23.452 32.776 1.00 0.00 H new ATOM 0 HD2 LYS A 30 45.612 25.838 33.227 1.00 0.00 H new ATOM 0 HD3 LYS A 30 43.923 26.306 33.204 1.00 0.00 H new ATOM 0 HE2 LYS A 30 44.640 24.092 35.075 1.00 0.00 H new ATOM 0 HE3 LYS A 30 45.299 25.669 35.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 43.201 25.303 36.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 43.061 26.579 35.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 42.423 25.051 35.065 1.00 0.00 H new ATOM 512 N LEU A 31 42.193 23.801 29.003 1.00 0.00 N ATOM 513 CA LEU A 31 40.753 23.566 28.803 1.00 0.00 C ATOM 514 C LEU A 31 40.447 22.174 28.212 1.00 0.00 C ATOM 515 O LEU A 31 39.520 21.521 28.682 1.00 0.00 O ATOM 516 CB LEU A 31 40.127 24.692 27.941 1.00 0.00 C ATOM 517 CG LEU A 31 39.187 25.650 28.709 1.00 0.00 C ATOM 518 CD1 LEU A 31 38.667 26.729 27.758 1.00 0.00 C ATOM 519 CD2 LEU A 31 37.978 24.933 29.316 1.00 0.00 C ATOM 0 H LEU A 31 42.567 24.550 28.420 1.00 0.00 H new ATOM 0 HA LEU A 31 40.291 23.586 29.790 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.930 25.276 27.492 1.00 0.00 H new ATOM 0 HB3 LEU A 31 39.569 24.236 27.123 1.00 0.00 H new ATOM 0 HG LEU A 31 39.774 26.080 29.521 1.00 0.00 H new ATOM 0 HD11 LEU A 31 38.005 27.404 28.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.507 27.293 27.353 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.118 26.260 26.941 1.00 0.00 H new ATOM 0 HD21 LEU A 31 37.354 25.655 29.843 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.398 24.462 28.522 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.321 24.171 30.016 1.00 0.00 H new ATOM 531 N CYS A 32 41.219 21.681 27.234 1.00 0.00 N ATOM 532 CA CYS A 32 41.007 20.351 26.641 1.00 0.00 C ATOM 533 C CYS A 32 41.086 19.234 27.698 1.00 0.00 C ATOM 534 O CYS A 32 40.185 18.405 27.791 1.00 0.00 O ATOM 535 CB CYS A 32 42.042 20.097 25.531 1.00 0.00 C ATOM 536 SG CYS A 32 41.787 21.201 24.110 1.00 0.00 S ATOM 0 H CYS A 32 42.006 22.190 26.832 1.00 0.00 H new ATOM 0 HA CYS A 32 40.004 20.336 26.216 1.00 0.00 H new ATOM 0 HB2 CYS A 32 43.046 20.242 25.929 1.00 0.00 H new ATOM 0 HB3 CYS A 32 41.976 19.060 25.203 1.00 0.00 H new ATOM 0 HG CYS A 32 42.284 22.372 24.376 1.00 0.00 H new ATOM 542 N ASN A 33 42.136 19.251 28.528 1.00 0.00 N ATOM 543 CA ASN A 33 42.407 18.221 29.532 1.00 0.00 C ATOM 544 C ASN A 33 41.283 18.091 30.581 1.00 0.00 C ATOM 545 O ASN A 33 40.933 16.975 30.967 1.00 0.00 O ATOM 546 CB ASN A 33 43.766 18.550 30.176 1.00 0.00 C ATOM 547 CG ASN A 33 44.136 17.576 31.280 1.00 0.00 C ATOM 548 OD1 ASN A 33 44.315 16.386 31.063 1.00 0.00 O ATOM 549 ND2 ASN A 33 44.232 18.044 32.501 1.00 0.00 N ATOM 0 H ASN A 33 42.833 19.996 28.519 1.00 0.00 H new ATOM 0 HA ASN A 33 42.443 17.245 29.049 1.00 0.00 H new ATOM 0 HB2 ASN A 33 44.541 18.537 29.409 1.00 0.00 H new ATOM 0 HB3 ASN A 33 43.737 19.561 30.582 1.00 0.00 H new ATOM 0 HD21 ASN A 33 44.456 17.415 33.272 1.00 0.00 H new ATOM 0 HD22 ASN A 33 44.082 19.037 32.680 1.00 0.00 H new ATOM 556 N ILE A 34 40.695 19.211 31.021 1.00 0.00 N ATOM 557 CA ILE A 34 39.582 19.207 31.986 1.00 0.00 C ATOM 558 C ILE A 34 38.214 18.952 31.330 1.00 0.00 C ATOM 559 O ILE A 34 37.333 18.382 31.966 1.00 0.00 O ATOM 560 CB ILE A 34 39.576 20.503 32.835 1.00 0.00 C ATOM 561 CG1 ILE A 34 39.172 21.748 32.015 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.935 20.709 33.539 1.00 0.00 C ATOM 563 CD1 ILE A 34 39.147 23.049 32.819 1.00 0.00 C ATOM 0 H ILE A 34 40.975 20.145 30.720 1.00 0.00 H new ATOM 0 HA ILE A 34 39.754 18.363 32.654 1.00 0.00 H new ATOM 0 HB ILE A 34 38.811 20.376 33.601 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.867 21.862 31.183 1.00 0.00 H new ATOM 0 HG13 ILE A 34 38.184 21.581 31.585 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.904 21.625 34.128 1.00 0.00 H new ATOM 0 HG22 ILE A 34 41.137 19.862 34.195 1.00 0.00 H new ATOM 0 HG23 ILE A 34 41.724 20.785 32.791 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.854 23.873 32.169 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.430 22.958 33.635 1.00 0.00 H new ATOM 0 HD13 ILE A 34 40.139 23.244 33.227 1.00 0.00 H new ATOM 575 N SER A 35 37.996 19.364 30.072 1.00 0.00 N ATOM 576 CA SER A 35 36.637 19.494 29.520 1.00 0.00 C ATOM 577 C SER A 35 35.949 18.179 29.120 1.00 0.00 C ATOM 578 O SER A 35 34.740 18.204 28.875 1.00 0.00 O ATOM 579 CB SER A 35 36.608 20.519 28.380 1.00 0.00 C ATOM 580 OG SER A 35 35.275 20.841 28.034 1.00 0.00 O ATOM 0 H SER A 35 38.739 19.612 29.419 1.00 0.00 H new ATOM 0 HA SER A 35 36.034 19.858 30.352 1.00 0.00 H new ATOM 0 HB2 SER A 35 37.139 21.422 28.682 1.00 0.00 H new ATOM 0 HB3 SER A 35 37.129 20.118 27.510 1.00 0.00 H new ATOM 0 HG SER A 35 34.699 20.063 28.190 1.00 0.00 H new ATOM 586 N LYS A 36 36.651 17.037 29.084 1.00 0.00 N ATOM 587 CA LYS A 36 36.090 15.697 28.777 1.00 0.00 C ATOM 588 C LYS A 36 35.425 15.567 27.395 1.00 0.00 C ATOM 589 O LYS A 36 34.345 14.984 27.272 1.00 0.00 O ATOM 590 CB LYS A 36 35.137 15.223 29.893 1.00 0.00 C ATOM 591 CG LYS A 36 35.838 15.096 31.255 1.00 0.00 C ATOM 592 CD LYS A 36 34.987 14.385 32.322 1.00 0.00 C ATOM 593 CE LYS A 36 34.745 12.889 32.068 1.00 0.00 C ATOM 594 NZ LYS A 36 36.011 12.162 31.816 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.653 17.011 29.272 1.00 0.00 H new ATOM 0 HA LYS A 36 36.957 15.038 28.735 1.00 0.00 H new ATOM 0 HB2 LYS A 36 34.307 15.925 29.980 1.00 0.00 H new ATOM 0 HB3 LYS A 36 34.711 14.259 29.617 1.00 0.00 H new ATOM 0 HG2 LYS A 36 36.772 14.550 31.124 1.00 0.00 H new ATOM 0 HG3 LYS A 36 36.099 16.092 31.614 1.00 0.00 H new ATOM 0 HD2 LYS A 36 35.475 14.500 33.290 1.00 0.00 H new ATOM 0 HD3 LYS A 36 34.022 14.887 32.390 1.00 0.00 H new ATOM 0 HE2 LYS A 36 34.240 12.451 32.929 1.00 0.00 H new ATOM 0 HE3 LYS A 36 34.080 12.768 31.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 35.833 11.138 31.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 36.387 12.431 30.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 36.704 12.406 32.552 1.00 0.00 H new ATOM 608 N LEU A 37 36.017 16.167 26.366 1.00 0.00 N ATOM 609 CA LEU A 37 35.499 16.202 25.004 1.00 0.00 C ATOM 610 C LEU A 37 36.609 16.586 24.012 1.00 0.00 C ATOM 611 O LEU A 37 37.594 17.210 24.410 1.00 0.00 O ATOM 612 CB LEU A 37 34.288 17.150 24.992 1.00 0.00 C ATOM 613 CG LEU A 37 34.471 18.579 25.553 1.00 0.00 C ATOM 614 CD1 LEU A 37 34.966 19.595 24.538 1.00 0.00 C ATOM 615 CD2 LEU A 37 33.136 19.133 26.058 1.00 0.00 C ATOM 0 H LEU A 37 36.904 16.661 26.463 1.00 0.00 H new ATOM 0 HA LEU A 37 35.161 15.219 24.676 1.00 0.00 H new ATOM 0 HB2 LEU A 37 33.945 17.239 23.961 1.00 0.00 H new ATOM 0 HB3 LEU A 37 33.486 16.672 25.554 1.00 0.00 H new ATOM 0 HG LEU A 37 35.216 18.460 26.339 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.066 20.569 25.017 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.935 19.280 24.151 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.253 19.666 23.717 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.284 20.140 26.449 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.421 19.165 25.236 1.00 0.00 H new ATOM 0 HD23 LEU A 37 32.751 18.489 26.849 1.00 0.00 H new ATOM 627 N SER A 38 36.459 16.209 22.737 1.00 0.00 N ATOM 628 CA SER A 38 37.472 16.421 21.688 1.00 0.00 C ATOM 629 C SER A 38 37.914 17.884 21.551 1.00 0.00 C ATOM 630 O SER A 38 37.129 18.815 21.755 1.00 0.00 O ATOM 631 CB SER A 38 36.959 15.929 20.327 1.00 0.00 C ATOM 632 OG SER A 38 36.680 14.539 20.349 1.00 0.00 O ATOM 0 H SER A 38 35.619 15.741 22.396 1.00 0.00 H new ATOM 0 HA SER A 38 38.341 15.842 22.000 1.00 0.00 H new ATOM 0 HB2 SER A 38 36.057 16.478 20.057 1.00 0.00 H new ATOM 0 HB3 SER A 38 37.703 16.140 19.559 1.00 0.00 H new ATOM 0 HG SER A 38 36.354 14.257 19.469 1.00 0.00 H new ATOM 638 N MET A 39 39.165 18.101 21.131 1.00 0.00 N ATOM 639 CA MET A 39 39.734 19.443 20.959 1.00 0.00 C ATOM 640 C MET A 39 38.948 20.273 19.931 1.00 0.00 C ATOM 641 O MET A 39 38.737 21.467 20.133 1.00 0.00 O ATOM 642 CB MET A 39 41.222 19.335 20.590 1.00 0.00 C ATOM 643 CG MET A 39 41.818 20.695 20.211 1.00 0.00 C ATOM 644 SD MET A 39 43.626 20.725 20.147 1.00 0.00 S ATOM 645 CE MET A 39 43.882 22.275 19.242 1.00 0.00 C ATOM 0 H MET A 39 39.814 17.349 20.900 1.00 0.00 H new ATOM 0 HA MET A 39 39.651 19.975 21.907 1.00 0.00 H new ATOM 0 HB2 MET A 39 41.775 18.918 21.432 1.00 0.00 H new ATOM 0 HB3 MET A 39 41.340 18.642 19.757 1.00 0.00 H new ATOM 0 HG2 MET A 39 41.427 20.991 19.238 1.00 0.00 H new ATOM 0 HG3 MET A 39 41.479 21.440 20.931 1.00 0.00 H new ATOM 0 HE1 MET A 39 44.950 22.449 19.114 1.00 0.00 H new ATOM 0 HE2 MET A 39 43.405 22.208 18.264 1.00 0.00 H new ATOM 0 HE3 MET A 39 43.445 23.101 19.803 1.00 0.00 H new ATOM 655 N SER A 40 38.448 19.643 18.866 1.00 0.00 N ATOM 656 CA SER A 40 37.522 20.271 17.917 1.00 0.00 C ATOM 657 C SER A 40 36.269 20.823 18.611 1.00 0.00 C ATOM 658 O SER A 40 35.905 21.978 18.392 1.00 0.00 O ATOM 659 CB SER A 40 37.115 19.257 16.845 1.00 0.00 C ATOM 660 OG SER A 40 36.511 18.110 17.416 1.00 0.00 O ATOM 0 H SER A 40 38.675 18.676 18.635 1.00 0.00 H new ATOM 0 HA SER A 40 38.041 21.112 17.458 1.00 0.00 H new ATOM 0 HB2 SER A 40 36.422 19.724 16.146 1.00 0.00 H new ATOM 0 HB3 SER A 40 37.993 18.960 16.272 1.00 0.00 H new ATOM 0 HG SER A 40 36.261 17.483 16.705 1.00 0.00 H new ATOM 666 N THR A 41 35.643 20.035 19.490 1.00 0.00 N ATOM 667 CA THR A 41 34.414 20.376 20.218 1.00 0.00 C ATOM 668 C THR A 41 34.608 21.579 21.141 1.00 0.00 C ATOM 669 O THR A 41 33.784 22.498 21.119 1.00 0.00 O ATOM 670 CB THR A 41 33.883 19.158 20.998 1.00 0.00 C ATOM 671 OG1 THR A 41 33.810 18.053 20.128 1.00 0.00 O ATOM 672 CG2 THR A 41 32.468 19.382 21.531 1.00 0.00 C ATOM 0 H THR A 41 35.991 19.105 19.724 1.00 0.00 H new ATOM 0 HA THR A 41 33.667 20.660 19.477 1.00 0.00 H new ATOM 0 HB THR A 41 34.564 18.994 21.833 1.00 0.00 H new ATOM 0 HG1 THR A 41 33.474 17.273 20.617 1.00 0.00 H new ATOM 0 HG21 THR A 41 32.139 18.495 22.073 1.00 0.00 H new ATOM 0 HG22 THR A 41 32.464 20.240 22.203 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.791 19.570 20.698 1.00 0.00 H new ATOM 680 N VAL A 42 35.710 21.648 21.901 1.00 0.00 N ATOM 681 CA VAL A 42 35.997 22.823 22.753 1.00 0.00 C ATOM 682 C VAL A 42 36.323 24.068 21.924 1.00 0.00 C ATOM 683 O VAL A 42 35.826 25.153 22.227 1.00 0.00 O ATOM 684 CB VAL A 42 37.065 22.520 23.822 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.474 22.334 23.278 1.00 0.00 C ATOM 686 CG2 VAL A 42 37.148 23.610 24.896 1.00 0.00 C ATOM 0 H VAL A 42 36.416 20.913 21.947 1.00 0.00 H new ATOM 0 HA VAL A 42 35.081 23.051 23.298 1.00 0.00 H new ATOM 0 HB VAL A 42 36.720 21.576 24.243 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.157 22.125 24.101 1.00 0.00 H new ATOM 0 HG12 VAL A 42 38.486 21.500 22.576 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.790 23.243 22.767 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.916 23.346 25.624 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.402 24.562 24.430 1.00 0.00 H new ATOM 0 HG23 VAL A 42 36.186 23.698 25.400 1.00 0.00 H new ATOM 696 N ARG A 43 37.086 23.921 20.835 1.00 0.00 N ATOM 697 CA ARG A 43 37.468 25.004 19.928 1.00 0.00 C ATOM 698 C ARG A 43 36.270 25.655 19.237 1.00 0.00 C ATOM 699 O ARG A 43 36.110 26.870 19.324 1.00 0.00 O ATOM 700 CB ARG A 43 38.465 24.422 18.922 1.00 0.00 C ATOM 701 CG ARG A 43 39.302 25.511 18.272 1.00 0.00 C ATOM 702 CD ARG A 43 40.123 24.882 17.147 1.00 0.00 C ATOM 703 NE ARG A 43 41.208 25.767 16.706 1.00 0.00 N ATOM 704 CZ ARG A 43 41.952 25.579 15.637 1.00 0.00 C ATOM 705 NH1 ARG A 43 41.754 24.546 14.877 1.00 0.00 N ATOM 706 NH2 ARG A 43 42.909 26.405 15.354 1.00 0.00 N ATOM 0 H ARG A 43 37.465 23.017 20.554 1.00 0.00 H new ATOM 0 HA ARG A 43 37.926 25.812 20.498 1.00 0.00 H new ATOM 0 HB2 ARG A 43 39.120 23.711 19.427 1.00 0.00 H new ATOM 0 HB3 ARG A 43 37.926 23.868 18.153 1.00 0.00 H new ATOM 0 HG2 ARG A 43 38.660 26.299 17.878 1.00 0.00 H new ATOM 0 HG3 ARG A 43 39.959 25.974 19.008 1.00 0.00 H new ATOM 0 HD2 ARG A 43 40.542 23.935 17.488 1.00 0.00 H new ATOM 0 HD3 ARG A 43 39.471 24.657 16.303 1.00 0.00 H new ATOM 0 HE ARG A 43 41.400 26.593 17.273 1.00 0.00 H new ATOM 0 HH11 ARG A 43 41.020 23.877 15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 43 42.333 24.403 14.049 1.00 0.00 H new ATOM 0 HH21 ARG A 43 43.088 27.205 15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 43 43.483 26.255 14.524 1.00 0.00 H new ATOM 720 N ARG A 44 35.391 24.862 18.612 1.00 0.00 N ATOM 721 CA ARG A 44 34.168 25.368 17.960 1.00 0.00 C ATOM 722 C ARG A 44 33.145 25.903 18.961 1.00 0.00 C ATOM 723 O ARG A 44 32.501 26.909 18.682 1.00 0.00 O ATOM 724 CB ARG A 44 33.592 24.309 17.007 1.00 0.00 C ATOM 725 CG ARG A 44 32.914 23.132 17.718 1.00 0.00 C ATOM 726 CD ARG A 44 32.276 22.165 16.713 1.00 0.00 C ATOM 727 NE ARG A 44 31.584 21.060 17.395 1.00 0.00 N ATOM 728 CZ ARG A 44 30.987 20.039 16.814 1.00 0.00 C ATOM 729 NH1 ARG A 44 30.972 19.939 15.518 1.00 0.00 N ATOM 730 NH2 ARG A 44 30.414 19.122 17.531 1.00 0.00 N ATOM 0 H ARG A 44 35.504 23.851 18.542 1.00 0.00 H new ATOM 0 HA ARG A 44 34.441 26.233 17.355 1.00 0.00 H new ATOM 0 HB2 ARG A 44 32.869 24.786 16.345 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.395 23.926 16.378 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.647 22.599 18.323 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.151 23.507 18.399 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.569 22.706 16.084 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.046 21.763 16.054 1.00 0.00 H new ATOM 0 HE ARG A 44 31.565 21.087 18.414 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.424 20.653 14.946 1.00 0.00 H new ATOM 0 HH12 ARG A 44 30.509 19.147 15.073 1.00 0.00 H new ATOM 0 HH21 ARG A 44 30.424 19.190 18.549 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.953 18.333 17.077 1.00 0.00 H new ATOM 744 N SER A 45 33.065 25.330 20.167 1.00 0.00 N ATOM 745 CA SER A 45 32.280 25.918 21.264 1.00 0.00 C ATOM 746 C SER A 45 32.807 27.305 21.642 1.00 0.00 C ATOM 747 O SER A 45 32.033 28.251 21.697 1.00 0.00 O ATOM 748 CB SER A 45 32.266 25.021 22.499 1.00 0.00 C ATOM 749 OG SER A 45 31.687 23.770 22.197 1.00 0.00 O ATOM 0 H SER A 45 33.534 24.458 20.411 1.00 0.00 H new ATOM 0 HA SER A 45 31.258 26.014 20.899 1.00 0.00 H new ATOM 0 HB2 SER A 45 33.283 24.879 22.863 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.705 25.504 23.300 1.00 0.00 H new ATOM 0 HG SER A 45 32.285 23.267 21.605 1.00 0.00 H new ATOM 755 N ILE A 46 34.126 27.478 21.791 1.00 0.00 N ATOM 756 CA ILE A 46 34.756 28.796 21.977 1.00 0.00 C ATOM 757 C ILE A 46 34.465 29.747 20.800 1.00 0.00 C ATOM 758 O ILE A 46 34.189 30.921 21.039 1.00 0.00 O ATOM 759 CB ILE A 46 36.268 28.602 22.285 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.473 27.909 23.653 1.00 0.00 C ATOM 761 CG2 ILE A 46 37.128 29.873 22.208 1.00 0.00 C ATOM 762 CD1 ILE A 46 35.891 28.623 24.875 1.00 0.00 C ATOM 0 H ILE A 46 34.792 26.705 21.786 1.00 0.00 H new ATOM 0 HA ILE A 46 34.314 29.297 22.838 1.00 0.00 H new ATOM 0 HB ILE A 46 36.624 27.962 21.477 1.00 0.00 H new ATOM 0 HG12 ILE A 46 36.035 26.912 23.600 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.543 27.778 23.812 1.00 0.00 H new ATOM 0 HG21 ILE A 46 38.164 29.626 22.440 1.00 0.00 H new ATOM 0 HG22 ILE A 46 37.071 30.291 21.203 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.760 30.605 22.927 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.100 28.039 25.771 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.345 29.609 24.971 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.813 28.730 24.755 1.00 0.00 H new ATOM 774 N LYS A 47 34.423 29.266 19.548 1.00 0.00 N ATOM 775 CA LYS A 47 34.108 30.090 18.362 1.00 0.00 C ATOM 776 C LYS A 47 32.636 30.542 18.337 1.00 0.00 C ATOM 777 O LYS A 47 32.359 31.696 18.011 1.00 0.00 O ATOM 778 CB LYS A 47 34.510 29.328 17.079 1.00 0.00 C ATOM 779 CG LYS A 47 34.610 30.233 15.834 1.00 0.00 C ATOM 780 CD LYS A 47 35.889 31.093 15.800 1.00 0.00 C ATOM 781 CE LYS A 47 35.725 32.389 14.990 1.00 0.00 C ATOM 782 NZ LYS A 47 35.425 32.162 13.558 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.607 28.288 19.324 1.00 0.00 H new ATOM 0 HA LYS A 47 34.693 31.008 18.415 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.471 28.839 17.242 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.780 28.541 16.889 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.576 29.612 14.939 1.00 0.00 H new ATOM 0 HG3 LYS A 47 33.740 30.889 15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 47 36.178 31.344 16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 47 36.703 30.506 15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 47 34.924 32.983 15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 47 36.640 32.976 15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.328 33.078 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 36.199 31.621 13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 34.537 31.628 13.470 1.00 0.00 H new ATOM 796 N LYS A 48 31.708 29.677 18.765 1.00 0.00 N ATOM 797 CA LYS A 48 30.300 30.008 19.065 1.00 0.00 C ATOM 798 C LYS A 48 30.185 30.993 20.236 1.00 0.00 C ATOM 799 O LYS A 48 29.397 31.928 20.200 1.00 0.00 O ATOM 800 CB LYS A 48 29.537 28.708 19.384 1.00 0.00 C ATOM 801 CG LYS A 48 29.225 27.876 18.129 1.00 0.00 C ATOM 802 CD LYS A 48 28.549 26.529 18.443 1.00 0.00 C ATOM 803 CE LYS A 48 27.114 26.688 18.977 1.00 0.00 C ATOM 804 NZ LYS A 48 26.371 25.402 18.960 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.919 28.691 18.919 1.00 0.00 H new ATOM 0 HA LYS A 48 29.864 30.493 18.192 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.127 28.106 20.076 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.605 28.955 19.892 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.578 28.454 17.470 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.151 27.692 17.585 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.530 25.919 17.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.147 25.991 19.178 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.146 27.075 19.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 26.581 27.423 18.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.350 25.591 19.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.585 24.889 18.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.658 24.825 19.776 1.00 0.00 H new ATOM 818 N PHE A 49 30.988 30.841 21.284 1.00 0.00 N ATOM 819 CA PHE A 49 30.925 31.728 22.450 1.00 0.00 C ATOM 820 C PHE A 49 31.425 33.156 22.193 1.00 0.00 C ATOM 821 O PHE A 49 31.102 34.040 22.988 1.00 0.00 O ATOM 822 CB PHE A 49 31.610 31.050 23.640 1.00 0.00 C ATOM 823 CG PHE A 49 30.990 29.748 24.123 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.622 29.469 23.923 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.800 28.804 24.786 1.00 0.00 C ATOM 826 CE1 PHE A 49 29.067 28.268 24.384 1.00 0.00 C ATOM 827 CE2 PHE A 49 31.249 27.589 25.231 1.00 0.00 C ATOM 828 CZ PHE A 49 29.880 27.337 25.041 1.00 0.00 C ATOM 0 H PHE A 49 31.695 30.109 21.354 1.00 0.00 H new ATOM 0 HA PHE A 49 29.872 31.879 22.689 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.648 30.855 23.372 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.623 31.753 24.473 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.998 30.186 23.411 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.846 29.014 24.953 1.00 0.00 H new ATOM 0 HE1 PHE A 49 28.018 28.062 24.233 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.874 26.854 25.716 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.450 26.416 25.406 1.00 0.00 H new ATOM 838 N LEU A 50 32.126 33.408 21.080 1.00 0.00 N ATOM 839 CA LEU A 50 32.367 34.761 20.565 1.00 0.00 C ATOM 840 C LEU A 50 31.046 35.462 20.212 1.00 0.00 C ATOM 841 O LEU A 50 30.768 36.558 20.697 1.00 0.00 O ATOM 842 CB LEU A 50 33.273 34.710 19.325 1.00 0.00 C ATOM 843 CG LEU A 50 34.677 34.126 19.552 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.388 34.066 18.208 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.532 34.972 20.494 1.00 0.00 C ATOM 0 H LEU A 50 32.544 32.674 20.508 1.00 0.00 H new ATOM 0 HA LEU A 50 32.864 35.332 21.350 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.774 34.120 18.556 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.379 35.721 18.932 1.00 0.00 H new ATOM 0 HG LEU A 50 34.552 33.144 20.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 36.388 33.654 18.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 34.823 33.431 17.526 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.463 35.070 17.791 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.511 34.507 20.613 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.654 35.971 20.076 1.00 0.00 H new ATOM 0 HD23 LEU A 50 35.043 35.042 21.465 1.00 0.00 H new ATOM 857 N GLU A 51 30.197 34.819 19.403 1.00 0.00 N ATOM 858 CA GLU A 51 28.916 35.397 18.967 1.00 0.00 C ATOM 859 C GLU A 51 27.851 35.419 20.074 1.00 0.00 C ATOM 860 O GLU A 51 26.997 36.306 20.077 1.00 0.00 O ATOM 861 CB GLU A 51 28.401 34.716 17.693 1.00 0.00 C ATOM 862 CG GLU A 51 28.173 33.206 17.816 1.00 0.00 C ATOM 863 CD GLU A 51 27.339 32.572 16.691 1.00 0.00 C ATOM 864 OE1 GLU A 51 26.765 33.312 15.854 1.00 0.00 O ATOM 865 OE2 GLU A 51 27.240 31.323 16.680 1.00 0.00 O ATOM 0 H GLU A 51 30.375 33.886 19.032 1.00 0.00 H new ATOM 0 HA GLU A 51 29.117 36.442 18.731 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.463 35.188 17.400 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.114 34.897 16.888 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.143 32.711 17.849 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.680 33.006 18.767 1.00 0.00 H new ATOM 872 N LEU A 52 27.944 34.502 21.043 1.00 0.00 N ATOM 873 CA LEU A 52 27.177 34.557 22.300 1.00 0.00 C ATOM 874 C LEU A 52 27.700 35.606 23.308 1.00 0.00 C ATOM 875 O LEU A 52 27.125 35.747 24.383 1.00 0.00 O ATOM 876 CB LEU A 52 27.043 33.165 22.956 1.00 0.00 C ATOM 877 CG LEU A 52 26.450 32.042 22.075 1.00 0.00 C ATOM 878 CD1 LEU A 52 25.981 30.889 22.959 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.234 32.473 21.248 1.00 0.00 C ATOM 0 H LEU A 52 28.559 33.691 20.980 1.00 0.00 H new ATOM 0 HA LEU A 52 26.181 34.892 22.011 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.031 32.850 23.292 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.421 33.265 23.845 1.00 0.00 H new ATOM 0 HG LEU A 52 27.252 31.759 21.393 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.563 30.099 22.335 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.826 30.497 23.524 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.218 31.247 23.650 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.878 31.629 20.658 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.441 32.810 21.916 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.517 33.288 20.582 1.00 0.00 H new ATOM 891 N GLN A 53 28.767 36.349 22.980 1.00 0.00 N ATOM 892 CA GLN A 53 29.412 37.377 23.821 1.00 0.00 C ATOM 893 C GLN A 53 30.082 36.853 25.109 1.00 0.00 C ATOM 894 O GLN A 53 30.561 37.653 25.918 1.00 0.00 O ATOM 895 CB GLN A 53 28.441 38.536 24.148 1.00 0.00 C ATOM 896 CG GLN A 53 27.563 39.032 22.990 1.00 0.00 C ATOM 897 CD GLN A 53 28.329 39.762 21.892 1.00 0.00 C ATOM 898 OE1 GLN A 53 29.493 40.136 22.017 1.00 0.00 O ATOM 899 NE2 GLN A 53 27.705 39.997 20.766 1.00 0.00 N ATOM 0 H GLN A 53 29.229 36.247 22.077 1.00 0.00 H new ATOM 0 HA GLN A 53 30.230 37.749 23.203 1.00 0.00 H new ATOM 0 HB2 GLN A 53 27.788 38.217 24.961 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.025 39.378 24.520 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.045 38.179 22.551 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.798 39.699 23.389 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.739 39.693 20.645 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.185 40.484 20.009 1.00 0.00 H new ATOM 908 N TYR A 54 30.102 35.535 25.330 1.00 0.00 N ATOM 909 CA TYR A 54 30.607 34.901 26.553 1.00 0.00 C ATOM 910 C TYR A 54 32.142 34.810 26.601 1.00 0.00 C ATOM 911 O TYR A 54 32.711 34.819 27.690 1.00 0.00 O ATOM 912 CB TYR A 54 29.986 33.501 26.704 1.00 0.00 C ATOM 913 CG TYR A 54 28.466 33.419 26.722 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.690 34.465 27.257 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.820 32.277 26.208 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.289 34.391 27.239 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.414 32.183 26.219 1.00 0.00 C ATOM 918 CZ TYR A 54 25.642 33.258 26.702 1.00 0.00 C ATOM 919 OH TYR A 54 24.286 33.206 26.651 1.00 0.00 O ATOM 0 H TYR A 54 29.758 34.861 24.646 1.00 0.00 H new ATOM 0 HA TYR A 54 30.311 35.537 27.387 1.00 0.00 H new ATOM 0 HB2 TYR A 54 30.349 32.879 25.886 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.360 33.062 27.629 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.176 35.330 27.684 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.408 31.467 25.802 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.703 35.205 27.638 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.929 31.288 25.858 1.00 0.00 H new ATOM 0 HH TYR A 54 24.006 32.356 26.251 1.00 0.00 H new ATOM 929 N VAL A 55 32.822 34.737 25.448 1.00 0.00 N ATOM 930 CA VAL A 55 34.296 34.705 25.348 1.00 0.00 C ATOM 931 C VAL A 55 34.803 35.679 24.278 1.00 0.00 C ATOM 932 O VAL A 55 34.017 36.195 23.483 1.00 0.00 O ATOM 933 CB VAL A 55 34.862 33.270 25.157 1.00 0.00 C ATOM 934 CG1 VAL A 55 34.350 32.306 26.235 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.612 32.720 23.754 1.00 0.00 C ATOM 0 H VAL A 55 32.359 34.698 24.540 1.00 0.00 H new ATOM 0 HA VAL A 55 34.682 35.045 26.309 1.00 0.00 H new ATOM 0 HB VAL A 55 35.943 33.352 25.274 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.769 31.314 26.065 1.00 0.00 H new ATOM 0 HG12 VAL A 55 34.654 32.665 27.218 1.00 0.00 H new ATOM 0 HG13 VAL A 55 33.262 32.253 26.189 1.00 0.00 H new ATOM 0 HG21 VAL A 55 35.028 31.716 23.677 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.539 32.684 23.563 1.00 0.00 H new ATOM 0 HG23 VAL A 55 35.090 33.368 23.019 1.00 0.00 H new ATOM 945 N LYS A 56 36.116 35.934 24.252 1.00 0.00 N ATOM 946 CA LYS A 56 36.780 36.884 23.347 1.00 0.00 C ATOM 947 C LYS A 56 38.117 36.348 22.829 1.00 0.00 C ATOM 948 O LYS A 56 38.816 35.629 23.540 1.00 0.00 O ATOM 949 CB LYS A 56 36.948 38.231 24.076 1.00 0.00 C ATOM 950 CG LYS A 56 35.857 39.251 23.734 1.00 0.00 C ATOM 951 CD LYS A 56 36.251 40.096 22.518 1.00 0.00 C ATOM 952 CE LYS A 56 35.212 41.185 22.263 1.00 0.00 C ATOM 953 NZ LYS A 56 35.643 42.069 21.160 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.770 35.469 24.882 1.00 0.00 H new ATOM 0 HA LYS A 56 36.156 37.027 22.465 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.946 38.056 25.152 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.921 38.653 23.824 1.00 0.00 H new ATOM 0 HG2 LYS A 56 34.920 38.732 23.531 1.00 0.00 H new ATOM 0 HG3 LYS A 56 35.682 39.901 24.591 1.00 0.00 H new ATOM 0 HD2 LYS A 56 37.228 40.549 22.684 1.00 0.00 H new ATOM 0 HD3 LYS A 56 36.341 39.458 21.639 1.00 0.00 H new ATOM 0 HE2 LYS A 56 34.253 40.729 22.017 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.063 41.772 23.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.923 42.803 21.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 36.547 42.519 21.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 35.762 41.508 20.292 1.00 0.00 H new ATOM 967 N GLU A 57 38.460 36.692 21.586 1.00 0.00 N ATOM 968 CA GLU A 57 39.631 36.178 20.866 1.00 0.00 C ATOM 969 C GLU A 57 40.860 37.103 20.950 1.00 0.00 C ATOM 970 O GLU A 57 40.842 38.233 20.454 1.00 0.00 O ATOM 971 CB GLU A 57 39.239 35.925 19.400 1.00 0.00 C ATOM 972 CG GLU A 57 40.416 35.360 18.595 1.00 0.00 C ATOM 973 CD GLU A 57 40.024 34.862 17.200 1.00 0.00 C ATOM 974 OE1 GLU A 57 40.753 33.990 16.675 1.00 0.00 O ATOM 975 OE2 GLU A 57 39.101 35.431 16.581 1.00 0.00 O ATOM 0 H GLU A 57 37.916 37.355 21.035 1.00 0.00 H new ATOM 0 HA GLU A 57 39.932 35.248 21.348 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.402 35.228 19.361 1.00 0.00 H new ATOM 0 HB3 GLU A 57 38.900 36.856 18.947 1.00 0.00 H new ATOM 0 HG2 GLU A 57 41.180 36.131 18.495 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.865 34.538 19.152 1.00 0.00 H new ATOM 982 N GLY A 58 41.962 36.585 21.499 1.00 0.00 N ATOM 983 CA GLY A 58 43.285 37.201 21.416 1.00 0.00 C ATOM 984 C GLY A 58 44.000 36.920 20.088 1.00 0.00 C ATOM 985 O GLY A 58 43.737 35.925 19.404 1.00 0.00 O ATOM 0 H GLY A 58 41.957 35.710 22.023 1.00 0.00 H new ATOM 0 HA2 GLY A 58 43.186 38.279 21.547 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.901 36.835 22.237 1.00 0.00 H new ATOM 989 N CYS A 59 44.932 37.804 19.739 1.00 0.00 N ATOM 990 CA CYS A 59 45.790 37.725 18.559 1.00 0.00 C ATOM 991 C CYS A 59 47.010 36.810 18.790 1.00 0.00 C ATOM 992 O CYS A 59 47.383 36.519 19.930 1.00 0.00 O ATOM 993 CB CYS A 59 46.184 39.164 18.174 1.00 0.00 C ATOM 994 SG CYS A 59 46.930 40.072 19.568 1.00 0.00 S ATOM 0 H CYS A 59 45.118 38.636 20.299 1.00 0.00 H new ATOM 0 HA CYS A 59 45.252 37.263 17.731 1.00 0.00 H new ATOM 0 HB2 CYS A 59 46.889 39.136 17.343 1.00 0.00 H new ATOM 0 HB3 CYS A 59 45.301 39.699 17.825 1.00 0.00 H new ATOM 0 HG CYS A 59 47.243 41.274 19.185 1.00 0.00 H new ATOM 1000 N LYS A 60 47.669 36.460 17.686 1.00 0.00 N ATOM 1001 CA LYS A 60 48.888 35.667 17.723 1.00 0.00 C ATOM 1002 C LYS A 60 50.041 36.580 17.282 1.00 0.00 C ATOM 1003 O LYS A 60 50.054 37.036 16.139 1.00 0.00 O ATOM 1004 CB LYS A 60 48.781 34.498 16.743 1.00 0.00 C ATOM 1005 CG LYS A 60 49.991 33.581 16.726 1.00 0.00 C ATOM 1006 CD LYS A 60 49.746 32.352 15.865 1.00 0.00 C ATOM 1007 CE LYS A 60 49.590 32.719 14.398 1.00 0.00 C ATOM 1008 NZ LYS A 60 50.855 33.253 13.821 1.00 0.00 N1+ ATOM 0 H LYS A 60 47.371 36.719 16.746 1.00 0.00 H new ATOM 0 HA LYS A 60 49.053 35.272 18.726 1.00 0.00 H new ATOM 0 HB2 LYS A 60 47.898 33.910 16.993 1.00 0.00 H new ATOM 0 HB3 LYS A 60 48.626 34.894 15.739 1.00 0.00 H new ATOM 0 HG2 LYS A 60 50.856 34.125 16.347 1.00 0.00 H new ATOM 0 HG3 LYS A 60 50.229 33.272 17.744 1.00 0.00 H new ATOM 0 HD2 LYS A 60 50.576 31.655 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 60 48.848 31.838 16.210 1.00 0.00 H new ATOM 0 HE2 LYS A 60 49.277 31.840 13.835 1.00 0.00 H new ATOM 0 HE3 LYS A 60 48.800 33.463 14.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 50.778 33.284 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 51.024 34.213 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 51.647 32.636 14.091 1.00 0.00 H new ATOM 1022 N GLN A 61 51.003 36.853 18.162 1.00 0.00 N ATOM 1023 CA GLN A 61 52.140 37.699 17.799 1.00 0.00 C ATOM 1024 C GLN A 61 53.442 37.073 18.284 1.00 0.00 C ATOM 1025 O GLN A 61 54.091 37.593 19.192 1.00 0.00 O ATOM 1026 CB GLN A 61 51.976 39.100 18.391 1.00 0.00 C ATOM 1027 CG GLN A 61 50.767 39.853 17.860 1.00 0.00 C ATOM 1028 CD GLN A 61 50.649 41.255 18.430 1.00 0.00 C ATOM 1029 OE1 GLN A 61 50.031 42.131 17.825 1.00 0.00 O ATOM 1030 NE2 GLN A 61 51.243 41.474 19.598 1.00 0.00 N ATOM 0 H GLN A 61 51.019 36.506 19.121 1.00 0.00 H new ATOM 0 HA GLN A 61 52.174 37.782 16.713 1.00 0.00 H new ATOM 0 HB2 GLN A 61 51.895 39.019 19.475 1.00 0.00 H new ATOM 0 HB3 GLN A 61 52.875 39.680 18.181 1.00 0.00 H new ATOM 0 HG2 GLN A 61 50.830 39.912 16.773 1.00 0.00 H new ATOM 0 HG3 GLN A 61 49.863 39.292 18.097 1.00 0.00 H new ATOM 0 HE21 GLN A 61 51.745 40.718 20.065 1.00 0.00 H new ATOM 0 HE22 GLN A 61 51.197 42.398 20.028 1.00 0.00 H new ATOM 1039 N GLY A 62 53.821 35.951 17.673 1.00 0.00 N ATOM 1040 CA GLY A 62 55.028 35.235 18.054 1.00 0.00 C ATOM 1041 C GLY A 62 54.848 34.308 19.250 1.00 0.00 C ATOM 1042 O GLY A 62 55.822 33.757 19.765 1.00 0.00 O ATOM 0 H GLY A 62 53.303 35.520 16.908 1.00 0.00 H new ATOM 0 HA2 GLY A 62 55.375 34.649 17.203 1.00 0.00 H new ATOM 0 HA3 GLY A 62 55.810 35.959 18.283 1.00 0.00 H new ATOM 1046 N ILE A 63 53.602 34.128 19.683 1.00 0.00 N ATOM 1047 CA ILE A 63 53.256 33.290 20.822 1.00 0.00 C ATOM 1048 C ILE A 63 51.898 32.667 20.527 1.00 0.00 C ATOM 1049 O ILE A 63 51.142 33.184 19.705 1.00 0.00 O ATOM 1050 CB ILE A 63 53.163 34.098 22.130 1.00 0.00 C ATOM 1051 CG1 ILE A 63 52.318 35.356 21.918 1.00 0.00 C ATOM 1052 CG2 ILE A 63 54.549 34.471 22.633 1.00 0.00 C ATOM 1053 CD1 ILE A 63 52.187 36.216 23.155 1.00 0.00 C ATOM 0 H ILE A 63 52.794 34.569 19.243 1.00 0.00 H new ATOM 0 HA ILE A 63 54.033 32.538 20.960 1.00 0.00 H new ATOM 0 HB ILE A 63 52.682 33.475 22.884 1.00 0.00 H new ATOM 0 HG12 ILE A 63 52.761 35.950 21.119 1.00 0.00 H new ATOM 0 HG13 ILE A 63 51.323 35.063 21.583 1.00 0.00 H new ATOM 0 HG21 ILE A 63 54.459 35.041 23.558 1.00 0.00 H new ATOM 0 HG22 ILE A 63 55.124 33.564 22.820 1.00 0.00 H new ATOM 0 HG23 ILE A 63 55.058 35.075 21.882 1.00 0.00 H new ATOM 0 HD11 ILE A 63 51.575 37.089 22.928 1.00 0.00 H new ATOM 0 HD12 ILE A 63 51.716 35.639 23.951 1.00 0.00 H new ATOM 0 HD13 ILE A 63 53.176 36.541 23.479 1.00 0.00 H new ATOM 1065 N SER A 64 51.569 31.572 21.199 1.00 0.00 N ATOM 1066 CA SER A 64 50.289 30.926 20.950 1.00 0.00 C ATOM 1067 C SER A 64 49.146 31.887 21.309 1.00 0.00 C ATOM 1068 O SER A 64 49.222 32.593 22.315 1.00 0.00 O ATOM 1069 CB SER A 64 50.172 29.643 21.774 1.00 0.00 C ATOM 1070 OG SER A 64 51.212 28.736 21.453 1.00 0.00 O ATOM 0 H SER A 64 52.154 31.122 21.903 1.00 0.00 H new ATOM 0 HA SER A 64 50.223 30.668 19.893 1.00 0.00 H new ATOM 0 HB2 SER A 64 50.210 29.884 22.836 1.00 0.00 H new ATOM 0 HB3 SER A 64 49.206 29.174 21.588 1.00 0.00 H new ATOM 0 HG SER A 64 51.117 27.924 21.994 1.00 0.00 H new ATOM 1076 N LYS A 65 48.091 31.911 20.493 1.00 0.00 N ATOM 1077 CA LYS A 65 46.940 32.780 20.731 1.00 0.00 C ATOM 1078 C LYS A 65 46.108 32.260 21.891 1.00 0.00 C ATOM 1079 O LYS A 65 46.174 31.075 22.225 1.00 0.00 O ATOM 1080 CB LYS A 65 46.067 32.874 19.480 1.00 0.00 C ATOM 1081 CG LYS A 65 45.516 31.539 19.004 1.00 0.00 C ATOM 1082 CD LYS A 65 44.871 31.657 17.631 1.00 0.00 C ATOM 1083 CE LYS A 65 43.639 32.548 17.654 1.00 0.00 C ATOM 1084 NZ LYS A 65 42.870 32.498 16.379 1.00 0.00 N1+ ATOM 0 H LYS A 65 48.011 31.334 19.656 1.00 0.00 H new ATOM 0 HA LYS A 65 47.316 33.773 20.978 1.00 0.00 H new ATOM 0 HB2 LYS A 65 45.234 33.547 19.681 1.00 0.00 H new ATOM 0 HB3 LYS A 65 46.651 33.321 18.676 1.00 0.00 H new ATOM 0 HG2 LYS A 65 46.321 30.805 18.967 1.00 0.00 H new ATOM 0 HG3 LYS A 65 44.782 31.171 19.721 1.00 0.00 H new ATOM 0 HD2 LYS A 65 45.596 32.059 16.923 1.00 0.00 H new ATOM 0 HD3 LYS A 65 44.594 30.665 17.274 1.00 0.00 H new ATOM 0 HE2 LYS A 65 42.991 32.244 18.476 1.00 0.00 H new ATOM 0 HE3 LYS A 65 43.943 33.576 17.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 41.862 32.665 16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 43.223 33.231 15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 42.987 31.563 15.939 1.00 0.00 H new ATOM 1098 N THR A 66 45.301 33.122 22.497 1.00 0.00 N ATOM 1099 CA THR A 66 44.495 32.642 23.630 1.00 0.00 C ATOM 1100 C THR A 66 43.127 33.333 23.672 1.00 0.00 C ATOM 1101 O THR A 66 42.897 34.284 22.924 1.00 0.00 O ATOM 1102 CB THR A 66 45.298 32.792 24.929 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.615 32.151 25.983 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.559 34.242 25.336 1.00 0.00 C ATOM 0 H THR A 66 45.184 34.104 22.248 1.00 0.00 H new ATOM 0 HA THR A 66 44.278 31.581 23.504 1.00 0.00 H new ATOM 0 HB THR A 66 46.267 32.333 24.735 1.00 0.00 H new ATOM 0 HG1 THR A 66 45.129 32.246 26.812 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.132 34.262 26.263 1.00 0.00 H new ATOM 0 HG22 THR A 66 46.123 34.745 24.550 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.609 34.755 25.485 1.00 0.00 H new ATOM 1112 N PHE A 67 42.203 32.846 24.503 1.00 0.00 N ATOM 1113 CA PHE A 67 40.817 33.323 24.597 1.00 0.00 C ATOM 1114 C PHE A 67 40.446 33.580 26.062 1.00 0.00 C ATOM 1115 O PHE A 67 40.742 32.753 26.922 1.00 0.00 O ATOM 1116 CB PHE A 67 39.850 32.307 23.955 1.00 0.00 C ATOM 1117 CG PHE A 67 39.960 32.160 22.446 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.053 31.487 21.866 1.00 0.00 C ATOM 1119 CD2 PHE A 67 38.946 32.672 21.612 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.161 31.376 20.469 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.029 32.516 20.217 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.141 31.880 19.643 1.00 0.00 C ATOM 0 H PHE A 67 42.403 32.084 25.151 1.00 0.00 H new ATOM 0 HA PHE A 67 40.731 34.262 24.050 1.00 0.00 H new ATOM 0 HB2 PHE A 67 40.021 31.332 24.411 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.829 32.599 24.200 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.813 31.053 22.499 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.101 33.186 22.046 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.027 30.904 20.030 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.235 32.886 19.585 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.213 31.778 18.570 1.00 0.00 H new ATOM 1132 N TYR A 68 39.803 34.709 26.362 1.00 0.00 N ATOM 1133 CA TYR A 68 39.313 35.021 27.715 1.00 0.00 C ATOM 1134 C TYR A 68 37.790 35.015 27.782 1.00 0.00 C ATOM 1135 O TYR A 68 37.110 35.009 26.759 1.00 0.00 O ATOM 1136 CB TYR A 68 39.896 36.336 28.237 1.00 0.00 C ATOM 1137 CG TYR A 68 39.380 37.582 27.552 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.099 38.093 27.852 1.00 0.00 C ATOM 1139 CD2 TYR A 68 40.230 38.262 26.663 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.688 39.318 27.291 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.815 39.479 26.092 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.547 40.014 26.413 1.00 0.00 C ATOM 1143 OH TYR A 68 38.147 41.197 25.883 1.00 0.00 O ATOM 0 H TYR A 68 39.604 35.437 25.676 1.00 0.00 H new ATOM 0 HA TYR A 68 39.665 34.227 28.374 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.684 36.412 29.303 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.980 36.303 28.129 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.437 37.548 28.508 1.00 0.00 H new ATOM 0 HD2 TYR A 68 41.199 37.852 26.419 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.717 39.724 27.532 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.465 40.004 25.408 1.00 0.00 H new ATOM 0 HH TYR A 68 38.852 41.549 25.300 1.00 0.00 H new ATOM 1153 N ILE A 69 37.259 35.000 29.005 1.00 0.00 N ATOM 1154 CA ILE A 69 35.833 34.826 29.287 1.00 0.00 C ATOM 1155 C ILE A 69 35.314 36.074 30.000 1.00 0.00 C ATOM 1156 O ILE A 69 35.978 36.625 30.876 1.00 0.00 O ATOM 1157 CB ILE A 69 35.598 33.502 30.041 1.00 0.00 C ATOM 1158 CG1 ILE A 69 36.181 32.316 29.225 1.00 0.00 C ATOM 1159 CG2 ILE A 69 34.096 33.268 30.292 1.00 0.00 C ATOM 1160 CD1 ILE A 69 37.567 31.857 29.697 1.00 0.00 C ATOM 0 H ILE A 69 37.822 35.111 29.848 1.00 0.00 H new ATOM 0 HA ILE A 69 35.253 34.734 28.369 1.00 0.00 H new ATOM 0 HB ILE A 69 36.104 33.566 31.004 1.00 0.00 H new ATOM 0 HG12 ILE A 69 35.491 31.474 29.283 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.243 32.605 28.176 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.958 32.327 30.825 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.695 34.086 30.890 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.570 33.225 29.338 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.905 31.026 29.078 1.00 0.00 H new ATOM 0 HD12 ILE A 69 38.272 32.684 29.612 1.00 0.00 H new ATOM 0 HD13 ILE A 69 37.509 31.535 30.737 1.00 0.00 H new ATOM 1172 N THR A 70 34.168 36.570 29.541 1.00 0.00 N ATOM 1173 CA THR A 70 33.618 37.877 29.882 1.00 0.00 C ATOM 1174 C THR A 70 32.615 37.769 31.054 1.00 0.00 C ATOM 1175 O THR A 70 32.078 36.684 31.323 1.00 0.00 O ATOM 1176 CB THR A 70 32.902 38.441 28.637 1.00 0.00 C ATOM 1177 OG1 THR A 70 31.712 37.732 28.397 1.00 0.00 O ATOM 1178 CG2 THR A 70 33.732 38.404 27.351 1.00 0.00 C ATOM 0 H THR A 70 33.574 36.050 28.895 1.00 0.00 H new ATOM 0 HA THR A 70 34.427 38.538 30.193 1.00 0.00 H new ATOM 0 HB THR A 70 32.715 39.488 28.876 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.460 37.825 27.454 1.00 0.00 H new ATOM 0 HG21 THR A 70 33.149 38.820 26.529 1.00 0.00 H new ATOM 0 HG22 THR A 70 34.639 38.993 27.486 1.00 0.00 H new ATOM 0 HG23 THR A 70 34.000 37.373 27.120 1.00 0.00 H new ATOM 1186 N PRO A 71 32.239 38.887 31.712 1.00 0.00 N ATOM 1187 CA PRO A 71 31.119 38.896 32.664 1.00 0.00 C ATOM 1188 C PRO A 71 29.771 38.498 32.035 1.00 0.00 C ATOM 1189 O PRO A 71 28.869 38.066 32.751 1.00 0.00 O ATOM 1190 CB PRO A 71 31.062 40.331 33.205 1.00 0.00 C ATOM 1191 CG PRO A 71 31.638 41.149 32.049 1.00 0.00 C ATOM 1192 CD PRO A 71 32.764 40.240 31.564 1.00 0.00 C ATOM 0 HA PRO A 71 31.286 38.153 33.444 1.00 0.00 H new ATOM 0 HB2 PRO A 71 30.043 40.633 33.446 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.652 40.445 34.115 1.00 0.00 H new ATOM 0 HG2 PRO A 71 30.898 41.337 31.271 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.008 42.120 32.378 1.00 0.00 H new ATOM 0 HD2 PRO A 71 33.025 40.452 30.527 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.669 40.380 32.156 1.00 0.00 H new ATOM 1200 N ASN A 72 29.622 38.578 30.706 1.00 0.00 N ATOM 1201 CA ASN A 72 28.379 38.214 30.019 1.00 0.00 C ATOM 1202 C ASN A 72 28.033 36.724 30.174 1.00 0.00 C ATOM 1203 O ASN A 72 26.860 36.360 30.123 1.00 0.00 O ATOM 1204 CB ASN A 72 28.472 38.552 28.523 1.00 0.00 C ATOM 1205 CG ASN A 72 28.893 39.974 28.211 1.00 0.00 C ATOM 1206 OD1 ASN A 72 28.604 40.910 28.939 1.00 0.00 O ATOM 1207 ND2 ASN A 72 29.592 40.170 27.122 1.00 0.00 N ATOM 0 H ASN A 72 30.360 38.897 30.079 1.00 0.00 H new ATOM 0 HA ASN A 72 27.586 38.796 30.488 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.181 37.869 28.055 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.501 38.368 28.064 1.00 0.00 H new ATOM 0 HD21 ASN A 72 29.900 41.111 26.876 1.00 0.00 H new ATOM 0 HD22 ASN A 72 29.829 39.382 26.519 1.00 0.00 H new ATOM 1214 N GLY A 73 29.037 35.858 30.367 1.00 0.00 N ATOM 1215 CA GLY A 73 28.807 34.455 30.706 1.00 0.00 C ATOM 1216 C GLY A 73 28.254 34.292 32.125 1.00 0.00 C ATOM 1217 O GLY A 73 27.286 33.558 32.322 1.00 0.00 O ATOM 0 H GLY A 73 30.022 36.111 30.292 1.00 0.00 H new ATOM 0 HA2 GLY A 73 28.108 34.019 29.992 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.742 33.902 30.615 1.00 0.00 H new ATOM 1221 N ILE A 74 28.808 35.034 33.096 1.00 0.00 N ATOM 1222 CA ILE A 74 28.402 34.994 34.512 1.00 0.00 C ATOM 1223 C ILE A 74 26.910 35.308 34.677 1.00 0.00 C ATOM 1224 O ILE A 74 26.242 34.633 35.456 1.00 0.00 O ATOM 1225 CB ILE A 74 29.272 35.927 35.384 1.00 0.00 C ATOM 1226 CG1 ILE A 74 30.719 35.396 35.389 1.00 0.00 C ATOM 1227 CG2 ILE A 74 28.740 36.032 36.828 1.00 0.00 C ATOM 1228 CD1 ILE A 74 31.703 36.340 36.081 1.00 0.00 C ATOM 0 H ILE A 74 29.566 35.692 32.917 1.00 0.00 H new ATOM 0 HA ILE A 74 28.566 33.976 34.864 1.00 0.00 H new ATOM 0 HB ILE A 74 29.237 36.929 34.957 1.00 0.00 H new ATOM 0 HG12 ILE A 74 30.742 34.427 35.888 1.00 0.00 H new ATOM 0 HG13 ILE A 74 31.043 35.233 34.361 1.00 0.00 H new ATOM 0 HG21 ILE A 74 29.382 36.698 37.405 1.00 0.00 H new ATOM 0 HG22 ILE A 74 27.725 36.429 36.814 1.00 0.00 H new ATOM 0 HG23 ILE A 74 28.736 35.043 37.287 1.00 0.00 H new ATOM 0 HD11 ILE A 74 32.704 35.909 36.051 1.00 0.00 H new ATOM 0 HD12 ILE A 74 31.707 37.302 35.568 1.00 0.00 H new ATOM 0 HD13 ILE A 74 31.401 36.484 37.118 1.00 0.00 H new ATOM 1240 N GLU A 75 26.367 36.250 33.901 1.00 0.00 N ATOM 1241 CA GLU A 75 24.931 36.588 33.885 1.00 0.00 C ATOM 1242 C GLU A 75 24.032 35.353 33.774 1.00 0.00 C ATOM 1243 O GLU A 75 23.032 35.240 34.476 1.00 0.00 O ATOM 1244 CB GLU A 75 24.628 37.491 32.678 1.00 0.00 C ATOM 1245 CG GLU A 75 25.220 38.894 32.824 1.00 0.00 C ATOM 1246 CD GLU A 75 24.280 39.820 33.592 1.00 0.00 C ATOM 1247 OE1 GLU A 75 24.674 40.327 34.664 1.00 0.00 O ATOM 1248 OE2 GLU A 75 23.154 40.104 33.122 1.00 0.00 O ATOM 0 H GLU A 75 26.918 36.812 33.253 1.00 0.00 H new ATOM 0 HA GLU A 75 24.720 37.088 34.830 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.023 37.027 31.774 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.548 37.569 32.550 1.00 0.00 H new ATOM 0 HG2 GLU A 75 26.177 38.834 33.342 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.417 39.311 31.837 1.00 0.00 H new ATOM 1255 N LYS A 76 24.397 34.390 32.921 1.00 0.00 N ATOM 1256 CA LYS A 76 23.578 33.193 32.684 1.00 0.00 C ATOM 1257 C LYS A 76 23.751 32.171 33.815 1.00 0.00 C ATOM 1258 O LYS A 76 22.807 31.460 34.144 1.00 0.00 O ATOM 1259 CB LYS A 76 23.872 32.591 31.297 1.00 0.00 C ATOM 1260 CG LYS A 76 24.359 33.566 30.201 1.00 0.00 C ATOM 1261 CD LYS A 76 23.509 34.821 29.907 1.00 0.00 C ATOM 1262 CE LYS A 76 22.357 34.585 28.926 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.525 35.788 28.722 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.261 34.416 32.379 1.00 0.00 H new ATOM 0 HA LYS A 76 22.529 33.489 32.686 1.00 0.00 H new ATOM 0 HB2 LYS A 76 24.625 31.813 31.418 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.965 32.104 30.939 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.360 33.899 30.474 1.00 0.00 H new ATOM 0 HG3 LYS A 76 24.452 33.003 29.273 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.101 35.197 30.845 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.158 35.600 29.507 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.762 34.262 27.967 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.730 33.774 29.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.761 35.572 28.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.114 36.084 29.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.113 36.557 28.342 1.00 0.00 H new ATOM 1277 N LEU A 77 24.909 32.176 34.489 1.00 0.00 N ATOM 1278 CA LEU A 77 25.151 31.403 35.717 1.00 0.00 C ATOM 1279 C LEU A 77 24.252 31.861 36.882 1.00 0.00 C ATOM 1280 O LEU A 77 24.149 31.170 37.894 1.00 0.00 O ATOM 1281 CB LEU A 77 26.633 31.464 36.154 1.00 0.00 C ATOM 1282 CG LEU A 77 27.698 31.368 35.052 1.00 0.00 C ATOM 1283 CD1 LEU A 77 29.098 31.459 35.662 1.00 0.00 C ATOM 1284 CD2 LEU A 77 27.618 30.098 34.223 1.00 0.00 C ATOM 0 H LEU A 77 25.716 32.725 34.193 1.00 0.00 H new ATOM 0 HA LEU A 77 24.899 30.371 35.473 1.00 0.00 H new ATOM 0 HB2 LEU A 77 26.788 32.400 36.692 1.00 0.00 H new ATOM 0 HB3 LEU A 77 26.809 30.656 36.864 1.00 0.00 H new ATOM 0 HG LEU A 77 27.500 32.205 34.383 1.00 0.00 H new ATOM 0 HD11 LEU A 77 29.845 31.390 34.871 1.00 0.00 H new ATOM 0 HD12 LEU A 77 29.207 32.411 36.182 1.00 0.00 H new ATOM 0 HD13 LEU A 77 29.241 30.641 36.368 1.00 0.00 H new ATOM 0 HD21 LEU A 77 28.403 30.107 33.467 1.00 0.00 H new ATOM 0 HD22 LEU A 77 27.748 29.231 34.871 1.00 0.00 H new ATOM 0 HD23 LEU A 77 26.645 30.043 33.735 1.00 0.00 H new ATOM 1296 N LYS A 78 23.635 33.049 36.810 1.00 0.00 N ATOM 1297 CA LYS A 78 22.663 33.525 37.797 1.00 0.00 C ATOM 1298 C LYS A 78 21.298 32.824 37.703 1.00 0.00 C ATOM 1299 O LYS A 78 20.612 32.739 38.712 1.00 0.00 O ATOM 1300 CB LYS A 78 22.518 35.052 37.693 1.00 0.00 C ATOM 1301 CG LYS A 78 23.812 35.852 37.962 1.00 0.00 C ATOM 1302 CD LYS A 78 24.658 35.270 39.111 1.00 0.00 C ATOM 1303 CE LYS A 78 25.919 36.079 39.458 1.00 0.00 C ATOM 1304 NZ LYS A 78 26.369 35.900 40.861 1.00 0.00 N1+ ATOM 0 H LYS A 78 23.801 33.713 36.054 1.00 0.00 H new ATOM 0 HA LYS A 78 23.054 33.265 38.781 1.00 0.00 H new ATOM 0 HB2 LYS A 78 22.157 35.300 36.695 1.00 0.00 H new ATOM 0 HB3 LYS A 78 21.754 35.378 38.399 1.00 0.00 H new ATOM 0 HG2 LYS A 78 24.413 35.875 37.053 1.00 0.00 H new ATOM 0 HG3 LYS A 78 23.551 36.884 38.198 1.00 0.00 H new ATOM 0 HD2 LYS A 78 24.034 35.197 40.002 1.00 0.00 H new ATOM 0 HD3 LYS A 78 24.956 34.255 38.846 1.00 0.00 H new ATOM 0 HE2 LYS A 78 26.726 35.786 38.786 1.00 0.00 H new ATOM 0 HE3 LYS A 78 25.723 37.136 39.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 27.222 36.472 41.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 25.615 36.205 41.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 26.586 34.897 41.031 1.00 0.00 H new ATOM 1318 N SER A 79 20.935 32.344 36.518 1.00 0.00 N ATOM 1319 CA SER A 79 19.660 31.663 36.328 1.00 0.00 C ATOM 1320 C SER A 79 19.565 30.443 37.237 1.00 0.00 C ATOM 1321 O SER A 79 18.493 30.124 37.753 1.00 0.00 O ATOM 1322 CB SER A 79 19.497 31.239 34.868 1.00 0.00 C ATOM 1323 OG SER A 79 19.566 32.357 34.001 1.00 0.00 O ATOM 0 H SER A 79 21.506 32.414 35.675 1.00 0.00 H new ATOM 0 HA SER A 79 18.859 32.356 36.587 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.275 30.523 34.605 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.541 30.733 34.738 1.00 0.00 H new ATOM 0 HG SER A 79 20.077 32.118 33.200 1.00 0.00 H new ATOM 1329 N ILE A 80 20.692 29.765 37.428 1.00 0.00 N ATOM 1330 CA ILE A 80 20.739 28.581 38.275 1.00 0.00 C ATOM 1331 C ILE A 80 21.685 28.816 39.457 1.00 0.00 C ATOM 1332 O ILE A 80 22.810 29.276 39.261 1.00 0.00 O ATOM 1333 CB ILE A 80 21.229 27.352 37.489 1.00 0.00 C ATOM 1334 CG1 ILE A 80 22.628 27.608 36.925 1.00 0.00 C ATOM 1335 CG2 ILE A 80 20.258 27.016 36.368 1.00 0.00 C ATOM 1336 CD1 ILE A 80 23.109 26.531 35.976 1.00 0.00 C ATOM 0 H ILE A 80 21.586 30.017 37.006 1.00 0.00 H new ATOM 0 HA ILE A 80 19.727 28.393 38.634 1.00 0.00 H new ATOM 0 HB ILE A 80 21.278 26.501 38.169 1.00 0.00 H new ATOM 0 HG12 ILE A 80 22.630 28.566 36.405 1.00 0.00 H new ATOM 0 HG13 ILE A 80 23.333 27.693 37.752 1.00 0.00 H new ATOM 0 HG21 ILE A 80 20.620 26.145 35.822 1.00 0.00 H new ATOM 0 HG22 ILE A 80 19.277 26.799 36.790 1.00 0.00 H new ATOM 0 HG23 ILE A 80 20.181 27.864 35.687 1.00 0.00 H new ATOM 0 HD11 ILE A 80 24.107 26.781 35.617 1.00 0.00 H new ATOM 0 HD12 ILE A 80 23.140 25.574 36.497 1.00 0.00 H new ATOM 0 HD13 ILE A 80 22.426 26.461 35.129 1.00 0.00 H new ATOM 1348 N MET A 81 21.248 28.505 40.678 1.00 0.00 N ATOM 1349 CA MET A 81 22.087 28.701 41.853 1.00 0.00 C ATOM 1350 C MET A 81 22.081 27.455 42.731 1.00 0.00 C ATOM 1351 O MET A 81 21.216 26.590 42.598 1.00 0.00 O ATOM 1352 CB MET A 81 21.597 29.905 42.659 1.00 0.00 C ATOM 1353 CG MET A 81 21.623 31.216 41.889 1.00 0.00 C ATOM 1354 SD MET A 81 21.049 32.614 42.874 1.00 0.00 S ATOM 1355 CE MET A 81 21.249 33.954 41.704 1.00 0.00 C ATOM 1356 OXT MET A 81 22.941 27.284 43.595 1.00 0.00 O ATOM 0 H MET A 81 20.324 28.119 40.875 1.00 0.00 H new ATOM 0 HA MET A 81 23.107 28.888 41.517 1.00 0.00 H new ATOM 0 HB2 MET A 81 20.578 29.713 42.996 1.00 0.00 H new ATOM 0 HB3 MET A 81 22.214 30.007 43.552 1.00 0.00 H new ATOM 0 HG2 MET A 81 22.639 31.411 41.546 1.00 0.00 H new ATOM 0 HG3 MET A 81 20.999 31.123 41.000 1.00 0.00 H new ATOM 0 HE1 MET A 81 21.230 34.906 42.234 1.00 0.00 H new ATOM 0 HE2 MET A 81 22.202 33.846 41.186 1.00 0.00 H new ATOM 0 HE3 MET A 81 20.436 33.927 40.978 1.00 0.00 H new TER 1366 MET A 81