USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 28 SER OG : rot -98:sc= 1.18 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 19 ASN : amide:sc= 0.645 K(o=1.4,f=-0.26) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.719 K(o=1.4,f=-0.26) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.33 (180deg=0.332) USER MOD Single : A 25 GLN : amide:sc= 2.31 K(o=2.3,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.08) USER MOD Single : A 37 HIS : no HD1:sc= -1.33! C(o=-1.3!,f=-6.7!) USER MOD Single : A 38 THR OG1 : rot -72:sc= 1.07 USER MOD Single : A 41 SER OG : rot -130:sc= 1.4 USER MOD Single : A 42 LYS NZ :NH3+ -121:sc= 1.9 (180deg=-0.137) USER MOD Single : A 44 MET CE :methyl -115:sc= -0.449 (180deg=-0.483) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -94:sc= -2.88! USER MOD Single : A 51 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.23) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 165:sc=-0.00318 (180deg=-0.228) USER MOD Single : A 57 GLN : amide:sc= -0.327 K(o=-0.33,f=-4.2!) USER MOD Single : A 65 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.2!) USER MOD Single : A 68 ASN : amide:sc= 1.22 K(o=1.2,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 78 MET CE :methyl -109:sc= 0 (180deg=-0.813) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 89 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.74) USER MOD Single : A 90 GLN : amide:sc= -0.371 K(o=-0.37,f=-3.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.162 USER MOD Single : B 357 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 358 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.048 23.549 4.876 1.00 10.00 N ATOM 2 CA ASP A 16 -5.918 22.629 5.640 1.00 10.00 C ATOM 3 C ASP A 16 -5.560 21.186 5.299 1.00 10.00 C ATOM 4 O ASP A 16 -4.581 20.935 4.590 1.00 10.00 O ATOM 5 CB ASP A 16 -7.389 22.904 5.311 1.00 10.00 C ATOM 6 CG ASP A 16 -8.318 22.596 6.469 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.588 21.403 6.715 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.794 23.546 7.127 1.00 10.00 O ATOM 0 HA ASP A 16 -5.765 22.790 6.707 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.504 23.950 5.028 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.681 22.306 4.448 1.00 10.00 H new ATOM 13 N HIS A 17 -6.349 20.246 5.792 1.00 10.00 N ATOM 14 CA HIS A 17 -6.113 18.835 5.541 1.00 10.00 C ATOM 15 C HIS A 17 -6.977 18.361 4.385 1.00 10.00 C ATOM 16 O HIS A 17 -7.870 19.077 3.930 1.00 10.00 O ATOM 17 CB HIS A 17 -6.415 18.007 6.795 1.00 10.00 C ATOM 18 CG HIS A 17 -5.439 18.221 7.915 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.723 19.055 8.969 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.212 17.681 8.098 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.668 19.002 9.768 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.728 18.180 9.282 1.00 10.00 N ATOM 0 H HIS A 17 -7.165 20.438 6.373 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.063 18.700 5.281 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.417 18.252 7.148 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.421 16.950 6.528 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.709 16.989 7.438 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -4.577 19.551 10.693 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.827 17.966 9.709 1.00 10.00 H new ATOM 30 N ILE A 18 -6.700 17.164 3.898 1.00 10.00 N ATOM 31 CA ILE A 18 -7.459 16.593 2.801 1.00 10.00 C ATOM 32 C ILE A 18 -7.817 15.143 3.115 1.00 10.00 C ATOM 33 O ILE A 18 -6.971 14.360 3.554 1.00 10.00 O ATOM 34 CB ILE A 18 -6.687 16.693 1.459 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.564 16.243 0.289 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.399 15.881 1.495 1.00 10.00 C ATOM 37 CD1 ILE A 18 -6.947 16.507 -1.069 1.00 10.00 C ATOM 0 H ILE A 18 -5.951 16.567 4.248 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.378 17.168 2.688 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.423 17.740 1.314 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.765 15.176 0.386 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.524 16.755 0.348 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.884 15.974 0.539 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.756 16.254 2.292 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.635 14.833 1.680 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.625 16.162 -1.850 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.771 17.576 -1.187 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.000 15.973 -1.149 1.00 10.00 H new ATOM 49 N ASN A 19 -9.080 14.796 2.924 1.00 10.00 N ATOM 50 CA ASN A 19 -9.541 13.439 3.193 1.00 10.00 C ATOM 51 C ASN A 19 -9.520 12.606 1.922 1.00 10.00 C ATOM 52 O ASN A 19 -10.403 12.728 1.076 1.00 10.00 O ATOM 53 CB ASN A 19 -10.953 13.448 3.787 1.00 10.00 C ATOM 54 CG ASN A 19 -10.978 13.896 5.237 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.804 13.089 6.152 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.212 15.182 5.458 1.00 10.00 N ATOM 0 H ASN A 19 -9.803 15.431 2.585 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.862 12.993 3.920 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.587 14.109 3.196 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.380 12.448 3.713 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.253 15.536 6.414 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.351 15.818 4.672 1.00 10.00 H new ATOM 63 N LEU A 20 -8.507 11.770 1.777 1.00 10.00 N ATOM 64 CA LEU A 20 -8.392 10.921 0.601 1.00 10.00 C ATOM 65 C LEU A 20 -8.994 9.552 0.886 1.00 10.00 C ATOM 66 O LEU A 20 -8.692 8.932 1.909 1.00 10.00 O ATOM 67 CB LEU A 20 -6.929 10.794 0.175 1.00 10.00 C ATOM 68 CG LEU A 20 -6.294 12.090 -0.343 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.805 11.898 -0.594 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.992 12.555 -1.615 1.00 10.00 C ATOM 0 H LEU A 20 -7.754 11.660 2.456 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.944 11.378 -0.220 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.348 10.436 1.025 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.857 10.034 -0.603 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.416 12.858 0.420 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.375 12.830 -0.961 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.313 11.613 0.336 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.659 11.114 -1.337 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.528 13.476 -1.969 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.901 11.786 -2.382 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.046 12.737 -1.406 1.00 10.00 H new ATOM 82 N LYS A 21 -9.856 9.091 -0.011 1.00 10.00 N ATOM 83 CA LYS A 21 -10.512 7.807 0.158 1.00 10.00 C ATOM 84 C LYS A 21 -9.829 6.723 -0.662 1.00 10.00 C ATOM 85 O LYS A 21 -9.906 6.706 -1.893 1.00 10.00 O ATOM 86 CB LYS A 21 -11.988 7.898 -0.240 1.00 10.00 C ATOM 87 CG LYS A 21 -12.804 8.835 0.634 1.00 10.00 C ATOM 88 CD LYS A 21 -14.251 8.891 0.178 1.00 10.00 C ATOM 89 CE LYS A 21 -15.042 9.925 0.962 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.400 10.134 0.400 1.00 10.00 N ATOM 0 H LYS A 21 -10.115 9.589 -0.862 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.439 7.541 1.212 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -12.055 8.232 -1.275 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.428 6.902 -0.197 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.759 8.501 1.671 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.371 9.835 0.603 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -14.290 9.131 -0.885 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.710 7.910 0.301 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.125 9.606 2.001 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.501 10.871 0.962 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.766 11.056 0.711 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.353 10.112 -0.639 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -17.034 9.380 0.734 1.00 10.00 H new ATOM 104 N VAL A 22 -9.141 5.834 0.027 1.00 10.00 N ATOM 105 CA VAL A 22 -8.472 4.721 -0.619 1.00 10.00 C ATOM 106 C VAL A 22 -9.229 3.450 -0.266 1.00 10.00 C ATOM 107 O VAL A 22 -9.643 3.275 0.883 1.00 10.00 O ATOM 108 CB VAL A 22 -6.995 4.600 -0.181 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.272 3.527 -0.982 1.00 10.00 C ATOM 110 CG2 VAL A 22 -6.287 5.939 -0.314 1.00 10.00 C ATOM 0 H VAL A 22 -9.030 5.861 1.041 1.00 10.00 H new ATOM 0 HA VAL A 22 -8.468 4.885 -1.697 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.977 4.303 0.868 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -5.235 3.464 -0.653 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.761 2.565 -0.827 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -6.301 3.782 -2.041 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.248 5.834 -0.001 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -6.322 6.267 -1.353 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.783 6.677 0.316 1.00 10.00 H new ATOM 120 N ALA A 23 -9.441 2.578 -1.238 1.00 10.00 N ATOM 121 CA ALA A 23 -10.176 1.350 -0.990 1.00 10.00 C ATOM 122 C ALA A 23 -9.490 0.151 -1.623 1.00 10.00 C ATOM 123 O ALA A 23 -9.044 0.212 -2.769 1.00 10.00 O ATOM 124 CB ALA A 23 -11.603 1.475 -1.504 1.00 10.00 C ATOM 0 H ALA A 23 -9.117 2.696 -2.198 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.199 1.189 0.088 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.142 0.547 -1.311 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -12.103 2.298 -0.993 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.588 1.670 -2.576 1.00 10.00 H new ATOM 130 N GLY A 24 -9.401 -0.929 -0.863 1.00 10.00 N ATOM 131 CA GLY A 24 -8.793 -2.139 -1.365 1.00 10.00 C ATOM 132 C GLY A 24 -9.755 -2.920 -2.235 1.00 10.00 C ATOM 133 O GLY A 24 -10.899 -2.504 -2.427 1.00 10.00 O ATOM 0 H GLY A 24 -9.741 -0.987 0.097 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.901 -1.889 -1.940 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.470 -2.760 -0.529 1.00 10.00 H new ATOM 137 N GLN A 25 -9.313 -4.057 -2.747 1.00 10.00 N ATOM 138 CA GLN A 25 -10.161 -4.876 -3.607 1.00 10.00 C ATOM 139 C GLN A 25 -11.074 -5.770 -2.772 1.00 10.00 C ATOM 140 O GLN A 25 -11.886 -6.522 -3.308 1.00 10.00 O ATOM 141 CB GLN A 25 -9.312 -5.721 -4.563 1.00 10.00 C ATOM 142 CG GLN A 25 -8.256 -4.923 -5.318 1.00 10.00 C ATOM 143 CD GLN A 25 -8.804 -3.656 -5.957 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.957 -3.608 -6.391 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.980 -2.624 -6.008 1.00 10.00 N ATOM 0 H GLN A 25 -8.379 -4.434 -2.586 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.784 -4.208 -4.202 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -8.820 -6.511 -3.995 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.969 -6.208 -5.283 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.452 -4.657 -4.632 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -7.819 -5.553 -6.093 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.034 -2.708 -5.637 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.290 -1.743 -6.419 1.00 10.00 H new ATOM 154 N ASP A 26 -10.930 -5.681 -1.456 1.00 10.00 N ATOM 155 CA ASP A 26 -11.741 -6.469 -0.535 1.00 10.00 C ATOM 156 C ASP A 26 -12.860 -5.615 0.049 1.00 10.00 C ATOM 157 O ASP A 26 -13.830 -6.137 0.601 1.00 10.00 O ATOM 158 CB ASP A 26 -10.876 -7.039 0.595 1.00 10.00 C ATOM 159 CG ASP A 26 -10.498 -5.992 1.623 1.00 10.00 C ATOM 160 OD1 ASP A 26 -10.072 -4.891 1.217 1.00 10.00 O ATOM 161 OD2 ASP A 26 -10.629 -6.266 2.837 1.00 10.00 O ATOM 0 H ASP A 26 -10.255 -5.067 -1.000 1.00 10.00 H new ATOM 0 HA ASP A 26 -12.180 -7.298 -1.091 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -11.415 -7.849 1.087 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.969 -7.471 0.171 1.00 10.00 H new ATOM 166 N GLY A 27 -12.715 -4.300 -0.068 1.00 10.00 N ATOM 167 CA GLY A 27 -13.722 -3.396 0.447 1.00 10.00 C ATOM 168 C GLY A 27 -13.237 -2.559 1.617 1.00 10.00 C ATOM 169 O GLY A 27 -14.024 -1.842 2.235 1.00 10.00 O ATOM 0 H GLY A 27 -11.917 -3.845 -0.511 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -14.049 -2.733 -0.354 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.593 -3.973 0.758 1.00 10.00 H new ATOM 173 N SER A 28 -11.952 -2.647 1.934 1.00 10.00 N ATOM 174 CA SER A 28 -11.394 -1.878 3.039 1.00 10.00 C ATOM 175 C SER A 28 -11.268 -0.402 2.676 1.00 10.00 C ATOM 176 O SER A 28 -10.524 -0.038 1.764 1.00 10.00 O ATOM 177 CB SER A 28 -10.022 -2.428 3.438 1.00 10.00 C ATOM 178 OG SER A 28 -9.239 -2.732 2.298 1.00 10.00 O ATOM 0 H SER A 28 -11.280 -3.239 1.446 1.00 10.00 H new ATOM 0 HA SER A 28 -12.078 -1.971 3.883 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.500 -1.697 4.056 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.149 -3.325 4.044 1.00 10.00 H new ATOM 0 HG SER A 28 -9.297 -3.692 2.108 1.00 10.00 H new ATOM 184 N VAL A 29 -12.017 0.441 3.373 1.00 10.00 N ATOM 185 CA VAL A 29 -11.957 1.873 3.137 1.00 10.00 C ATOM 186 C VAL A 29 -11.128 2.540 4.233 1.00 10.00 C ATOM 187 O VAL A 29 -11.397 2.371 5.425 1.00 10.00 O ATOM 188 CB VAL A 29 -13.370 2.508 3.054 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.212 2.168 4.278 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.278 4.018 2.871 1.00 10.00 C ATOM 0 H VAL A 29 -12.670 0.158 4.103 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.479 2.036 2.171 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.866 2.083 2.181 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.195 2.630 4.184 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.325 1.086 4.353 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.719 2.544 5.175 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.282 4.440 2.816 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.747 4.455 3.716 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.740 4.241 1.950 1.00 10.00 H new ATOM 200 N VAL A 30 -10.094 3.257 3.824 1.00 10.00 N ATOM 201 CA VAL A 30 -9.218 3.938 4.769 1.00 10.00 C ATOM 202 C VAL A 30 -9.390 5.446 4.697 1.00 10.00 C ATOM 203 O VAL A 30 -9.338 6.035 3.615 1.00 10.00 O ATOM 204 CB VAL A 30 -7.725 3.616 4.521 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.275 2.443 5.368 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.466 3.338 3.053 1.00 10.00 C ATOM 0 H VAL A 30 -9.839 3.384 2.845 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.507 3.573 5.755 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.144 4.491 4.812 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.222 2.237 5.175 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.410 2.683 6.423 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.868 1.564 5.117 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.409 3.115 2.906 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.065 2.486 2.733 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.737 4.214 2.463 1.00 10.00 H new ATOM 216 N GLN A 31 -9.608 6.066 5.846 1.00 10.00 N ATOM 217 CA GLN A 31 -9.742 7.511 5.906 1.00 10.00 C ATOM 218 C GLN A 31 -8.355 8.113 6.070 1.00 10.00 C ATOM 219 O GLN A 31 -7.820 8.169 7.178 1.00 10.00 O ATOM 220 CB GLN A 31 -10.646 7.947 7.060 1.00 10.00 C ATOM 221 CG GLN A 31 -11.178 9.365 6.897 1.00 10.00 C ATOM 222 CD GLN A 31 -11.713 9.955 8.190 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.173 9.235 9.080 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.662 11.274 8.301 1.00 10.00 N ATOM 0 H GLN A 31 -9.695 5.593 6.745 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.206 7.863 4.985 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.486 7.256 7.137 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.090 7.879 7.995 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.381 10.004 6.516 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.971 9.365 6.149 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.274 11.835 7.543 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.011 11.729 9.145 1.00 10.00 H new ATOM 233 N PHE A 32 -7.767 8.524 4.960 1.00 10.00 N ATOM 234 CA PHE A 32 -6.431 9.094 4.972 1.00 10.00 C ATOM 235 C PHE A 32 -6.446 10.570 5.337 1.00 10.00 C ATOM 236 O PHE A 32 -6.815 11.415 4.522 1.00 10.00 O ATOM 237 CB PHE A 32 -5.769 8.921 3.603 1.00 10.00 C ATOM 238 CG PHE A 32 -4.730 7.843 3.563 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.036 6.585 3.077 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.444 8.091 4.010 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.076 5.594 3.029 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.479 7.106 3.967 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.796 5.855 3.479 1.00 10.00 C ATOM 0 H PHE A 32 -8.196 8.473 4.036 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.861 8.560 5.732 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.538 8.698 2.864 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.310 9.865 3.310 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -6.037 6.375 2.731 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.193 9.067 4.397 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.325 4.617 2.641 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.478 7.314 4.315 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.044 5.080 3.449 1.00 10.00 H new ATOM 253 N LYS A 33 -6.064 10.872 6.572 1.00 10.00 N ATOM 254 CA LYS A 33 -5.988 12.251 7.025 1.00 10.00 C ATOM 255 C LYS A 33 -4.590 12.771 6.725 1.00 10.00 C ATOM 256 O LYS A 33 -3.660 12.604 7.520 1.00 10.00 O ATOM 257 CB LYS A 33 -6.306 12.363 8.518 1.00 10.00 C ATOM 258 CG LYS A 33 -6.355 13.795 9.023 1.00 10.00 C ATOM 259 CD LYS A 33 -7.445 13.979 10.065 1.00 10.00 C ATOM 260 CE LYS A 33 -7.355 15.340 10.736 1.00 10.00 C ATOM 261 NZ LYS A 33 -8.475 15.564 11.687 1.00 10.00 N ATOM 0 H LYS A 33 -5.803 10.180 7.275 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.730 12.852 6.500 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.266 11.884 8.714 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.554 11.813 9.084 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.390 14.064 9.453 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -6.531 14.471 8.187 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.422 13.869 9.594 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.365 13.195 10.818 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -6.406 15.421 11.267 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.363 16.121 9.976 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -8.377 16.503 12.123 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.380 15.512 11.176 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -8.453 14.834 12.427 1.00 10.00 H new ATOM 275 N ILE A 34 -4.444 13.378 5.559 1.00 10.00 N ATOM 276 CA ILE A 34 -3.160 13.888 5.103 1.00 10.00 C ATOM 277 C ILE A 34 -3.285 15.353 4.668 1.00 10.00 C ATOM 278 O ILE A 34 -4.387 15.834 4.420 1.00 10.00 O ATOM 279 CB ILE A 34 -2.641 12.989 3.938 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.530 13.661 3.126 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.791 12.588 3.023 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.930 12.769 2.063 1.00 10.00 C ATOM 0 H ILE A 34 -5.210 13.531 4.903 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.440 13.855 5.921 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.211 12.097 4.394 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.930 14.558 2.652 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.741 13.984 3.805 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.412 11.961 2.216 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.534 12.033 3.595 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -4.250 13.483 2.603 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -0.151 13.313 1.529 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.499 11.884 2.531 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.707 12.466 1.361 1.00 10.00 H new ATOM 294 N LYS A 35 -2.164 16.075 4.622 1.00 10.00 N ATOM 295 CA LYS A 35 -2.176 17.468 4.194 1.00 10.00 C ATOM 296 C LYS A 35 -2.118 17.521 2.667 1.00 10.00 C ATOM 297 O LYS A 35 -1.704 16.563 2.019 1.00 10.00 O ATOM 298 CB LYS A 35 -1.007 18.240 4.820 1.00 10.00 C ATOM 299 CG LYS A 35 -1.322 19.705 5.091 1.00 10.00 C ATOM 300 CD LYS A 35 -0.150 20.425 5.742 1.00 10.00 C ATOM 301 CE LYS A 35 -0.101 20.203 7.246 1.00 10.00 C ATOM 302 NZ LYS A 35 1.135 20.775 7.845 1.00 10.00 N ATOM 0 H LYS A 35 -1.243 15.717 4.875 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.096 17.944 4.532 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.724 17.758 5.756 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.145 18.179 4.156 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.578 20.201 4.155 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -2.196 19.775 5.738 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.781 20.077 5.295 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.223 21.493 5.537 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.975 20.659 7.710 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.148 19.135 7.458 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.018 20.852 8.876 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.942 20.155 7.634 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.310 21.719 7.445 1.00 10.00 H new ATOM 316 N ARG A 36 -2.505 18.648 2.091 1.00 10.00 N ATOM 317 CA ARG A 36 -2.546 18.790 0.636 1.00 10.00 C ATOM 318 C ARG A 36 -1.163 18.950 -0.007 1.00 10.00 C ATOM 319 O ARG A 36 -1.063 19.079 -1.228 1.00 10.00 O ATOM 320 CB ARG A 36 -3.450 19.963 0.255 1.00 10.00 C ATOM 321 CG ARG A 36 -4.909 19.724 0.610 1.00 10.00 C ATOM 322 CD ARG A 36 -5.795 20.878 0.182 1.00 10.00 C ATOM 323 NE ARG A 36 -5.805 21.048 -1.266 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.850 20.785 -2.046 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.972 20.284 -1.535 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.768 21.014 -3.349 1.00 10.00 N ATOM 0 H ARG A 36 -2.796 19.480 2.604 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.953 17.858 0.243 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.101 20.863 0.760 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.367 20.146 -0.816 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.253 18.807 0.132 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -5.001 19.576 1.686 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.812 20.705 0.534 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.447 21.797 0.653 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.954 21.392 -1.711 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -8.038 20.097 -0.534 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.766 20.087 -2.144 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.908 21.390 -3.748 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.565 20.815 -3.953 1.00 10.00 H new ATOM 340 N HIS A 37 -0.100 18.924 0.789 1.00 10.00 N ATOM 341 CA HIS A 37 1.245 19.067 0.234 1.00 10.00 C ATOM 342 C HIS A 37 2.146 17.895 0.632 1.00 10.00 C ATOM 343 O HIS A 37 3.304 17.826 0.219 1.00 10.00 O ATOM 344 CB HIS A 37 1.875 20.406 0.666 1.00 10.00 C ATOM 345 CG HIS A 37 2.537 20.383 2.011 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.886 20.596 2.152 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.998 20.156 3.226 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.135 20.487 3.445 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.021 20.222 4.137 1.00 10.00 N ATOM 0 H HIS A 37 -0.138 18.808 1.802 1.00 10.00 H new ATOM 0 HA HIS A 37 1.154 19.061 -0.852 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.611 20.703 -0.081 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.099 21.172 0.671 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.958 19.959 3.441 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.114 20.598 3.887 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.947 20.094 5.146 1.00 10.00 H new ATOM 357 N THR A 38 1.614 16.976 1.427 1.00 10.00 N ATOM 358 CA THR A 38 2.382 15.825 1.876 1.00 10.00 C ATOM 359 C THR A 38 2.530 14.797 0.751 1.00 10.00 C ATOM 360 O THR A 38 1.541 14.392 0.140 1.00 10.00 O ATOM 361 CB THR A 38 1.720 15.166 3.103 1.00 10.00 C ATOM 362 OG1 THR A 38 1.241 16.183 3.998 1.00 10.00 O ATOM 363 CG2 THR A 38 2.705 14.266 3.837 1.00 10.00 C ATOM 0 H THR A 38 0.655 17.006 1.773 1.00 10.00 H new ATOM 0 HA THR A 38 3.373 16.179 2.161 1.00 10.00 H new ATOM 0 HB THR A 38 0.886 14.555 2.756 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.002 16.613 4.441 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.213 13.814 4.698 1.00 10.00 H new ATOM 0 HG22 THR A 38 3.052 13.482 3.164 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.556 14.857 4.175 1.00 10.00 H new ATOM 371 N PRO A 39 3.778 14.391 0.445 1.00 10.00 N ATOM 372 CA PRO A 39 4.070 13.413 -0.613 1.00 10.00 C ATOM 373 C PRO A 39 3.227 12.143 -0.515 1.00 10.00 C ATOM 374 O PRO A 39 3.093 11.548 0.560 1.00 10.00 O ATOM 375 CB PRO A 39 5.547 13.082 -0.388 1.00 10.00 C ATOM 376 CG PRO A 39 6.112 14.297 0.257 1.00 10.00 C ATOM 377 CD PRO A 39 5.010 14.870 1.103 1.00 10.00 C ATOM 0 HA PRO A 39 3.843 13.818 -1.599 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.664 12.205 0.249 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.051 12.862 -1.329 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.981 14.047 0.866 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.444 15.017 -0.491 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.075 14.522 2.134 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.052 15.959 1.131 1.00 10.00 H new ATOM 385 N LEU A 40 2.684 11.721 -1.653 1.00 10.00 N ATOM 386 CA LEU A 40 1.853 10.525 -1.724 1.00 10.00 C ATOM 387 C LEU A 40 2.688 9.272 -1.477 1.00 10.00 C ATOM 388 O LEU A 40 2.154 8.189 -1.236 1.00 10.00 O ATOM 389 CB LEU A 40 1.158 10.440 -3.082 1.00 10.00 C ATOM 390 CG LEU A 40 0.103 11.520 -3.338 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.275 11.559 -4.809 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.128 11.274 -2.481 1.00 10.00 C ATOM 0 H LEU A 40 2.807 12.196 -2.547 1.00 10.00 H new ATOM 0 HA LEU A 40 1.093 10.590 -0.946 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.914 10.499 -3.865 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.684 9.462 -3.170 1.00 10.00 H new ATOM 0 HG LEU A 40 0.528 12.486 -3.066 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.026 12.332 -4.971 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.609 11.781 -5.406 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.680 10.592 -5.106 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.868 12.051 -2.675 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.552 10.300 -2.724 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.848 11.295 -1.428 1.00 10.00 H new ATOM 404 N SER A 41 4.002 9.432 -1.544 1.00 10.00 N ATOM 405 CA SER A 41 4.926 8.340 -1.306 1.00 10.00 C ATOM 406 C SER A 41 4.763 7.826 0.123 1.00 10.00 C ATOM 407 O SER A 41 4.821 6.622 0.380 1.00 10.00 O ATOM 408 CB SER A 41 6.349 8.833 -1.541 1.00 10.00 C ATOM 409 OG SER A 41 6.341 10.200 -1.929 1.00 10.00 O ATOM 0 H SER A 41 4.453 10.320 -1.764 1.00 10.00 H new ATOM 0 HA SER A 41 4.715 7.519 -1.991 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.938 8.710 -0.632 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.826 8.231 -2.315 1.00 10.00 H new ATOM 0 HG SER A 41 6.892 10.316 -2.731 1.00 10.00 H new ATOM 415 N LYS A 42 4.524 8.752 1.047 1.00 10.00 N ATOM 416 CA LYS A 42 4.328 8.406 2.446 1.00 10.00 C ATOM 417 C LYS A 42 2.972 7.732 2.614 1.00 10.00 C ATOM 418 O LYS A 42 2.800 6.845 3.451 1.00 10.00 O ATOM 419 CB LYS A 42 4.413 9.658 3.323 1.00 10.00 C ATOM 420 CG LYS A 42 4.712 9.358 4.781 1.00 10.00 C ATOM 421 CD LYS A 42 4.662 10.616 5.634 1.00 10.00 C ATOM 422 CE LYS A 42 5.866 10.708 6.559 1.00 10.00 C ATOM 423 NZ LYS A 42 5.616 11.614 7.710 1.00 10.00 N ATOM 0 H LYS A 42 4.462 9.751 0.848 1.00 10.00 H new ATOM 0 HA LYS A 42 5.113 7.718 2.759 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.188 10.316 2.929 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.471 10.202 3.258 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.991 8.633 5.159 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.698 8.901 4.864 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.629 11.494 4.989 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.746 10.620 6.225 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.116 9.713 6.928 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.729 11.066 5.997 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.317 12.383 7.705 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.660 12.016 7.634 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 5.696 11.078 8.598 1.00 10.00 H new ATOM 437 N LEU A 43 2.019 8.158 1.790 1.00 10.00 N ATOM 438 CA LEU A 43 0.669 7.606 1.805 1.00 10.00 C ATOM 439 C LEU A 43 0.717 6.122 1.457 1.00 10.00 C ATOM 440 O LEU A 43 0.056 5.299 2.095 1.00 10.00 O ATOM 441 CB LEU A 43 -0.213 8.367 0.805 1.00 10.00 C ATOM 442 CG LEU A 43 -1.693 7.974 0.780 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.564 9.212 0.635 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.971 7.004 -0.357 1.00 10.00 C ATOM 0 H LEU A 43 2.160 8.892 1.096 1.00 10.00 H new ATOM 0 HA LEU A 43 0.241 7.717 2.801 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.144 9.432 1.027 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.198 8.223 -0.194 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.933 7.481 1.722 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.614 8.919 0.619 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.388 9.882 1.477 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.316 9.725 -0.294 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.028 6.737 -0.357 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.715 7.474 -1.307 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.370 6.105 -0.223 1.00 10.00 H new ATOM 456 N MET A 44 1.522 5.788 0.453 1.00 10.00 N ATOM 457 CA MET A 44 1.674 4.405 0.020 1.00 10.00 C ATOM 458 C MET A 44 2.266 3.555 1.139 1.00 10.00 C ATOM 459 O MET A 44 1.749 2.485 1.459 1.00 10.00 O ATOM 460 CB MET A 44 2.571 4.322 -1.222 1.00 10.00 C ATOM 461 CG MET A 44 2.035 5.087 -2.421 1.00 10.00 C ATOM 462 SD MET A 44 2.787 4.565 -3.976 1.00 10.00 S ATOM 463 CE MET A 44 4.499 5.020 -3.707 1.00 10.00 C ATOM 0 H MET A 44 2.080 6.458 -0.076 1.00 10.00 H new ATOM 0 HA MET A 44 0.686 4.021 -0.232 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.560 4.706 -0.971 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.697 3.275 -1.498 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.955 4.950 -2.481 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.213 6.152 -2.276 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.782 5.804 -4.410 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.623 5.385 -2.687 1.00 10.00 H new ATOM 0 HE3 MET A 44 5.135 4.148 -3.860 1.00 10.00 H new ATOM 473 N LYS A 45 3.339 4.057 1.744 1.00 10.00 N ATOM 474 CA LYS A 45 4.014 3.352 2.831 1.00 10.00 C ATOM 475 C LYS A 45 3.082 3.151 4.022 1.00 10.00 C ATOM 476 O LYS A 45 3.065 2.083 4.633 1.00 10.00 O ATOM 477 CB LYS A 45 5.257 4.122 3.276 1.00 10.00 C ATOM 478 CG LYS A 45 6.321 4.258 2.196 1.00 10.00 C ATOM 479 CD LYS A 45 7.602 4.874 2.746 1.00 10.00 C ATOM 480 CE LYS A 45 7.377 6.293 3.243 1.00 10.00 C ATOM 481 NZ LYS A 45 8.581 6.839 3.920 1.00 10.00 N ATOM 0 H LYS A 45 3.761 4.953 1.499 1.00 10.00 H new ATOM 0 HA LYS A 45 4.311 2.373 2.456 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.957 5.117 3.604 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.693 3.620 4.140 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.540 3.277 1.774 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.939 4.876 1.384 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.980 4.259 3.562 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.366 4.878 1.969 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.111 6.934 2.403 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.534 6.307 3.934 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.387 7.808 4.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.821 6.242 4.737 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.379 6.850 3.253 1.00 10.00 H new ATOM 495 N ALA A 46 2.304 4.180 4.339 1.00 10.00 N ATOM 496 CA ALA A 46 1.372 4.128 5.461 1.00 10.00 C ATOM 497 C ALA A 46 0.368 2.992 5.298 1.00 10.00 C ATOM 498 O ALA A 46 0.179 2.187 6.209 1.00 10.00 O ATOM 499 CB ALA A 46 0.648 5.456 5.609 1.00 10.00 C ATOM 0 H ALA A 46 2.300 5.065 3.832 1.00 10.00 H new ATOM 0 HA ALA A 46 1.949 3.937 6.366 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.044 5.402 6.450 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.375 6.249 5.787 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.093 5.671 4.696 1.00 10.00 H new ATOM 505 N TYR A 47 -0.264 2.920 4.133 1.00 10.00 N ATOM 506 CA TYR A 47 -1.244 1.873 3.870 1.00 10.00 C ATOM 507 C TYR A 47 -0.559 0.514 3.764 1.00 10.00 C ATOM 508 O TYR A 47 -1.098 -0.502 4.208 1.00 10.00 O ATOM 509 CB TYR A 47 -2.024 2.175 2.587 1.00 10.00 C ATOM 510 CG TYR A 47 -3.112 1.167 2.287 1.00 10.00 C ATOM 511 CD1 TYR A 47 -3.049 0.360 1.158 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.204 1.019 3.134 1.00 10.00 C ATOM 513 CE1 TYR A 47 -4.037 -0.564 0.882 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.197 0.096 2.865 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.109 -0.691 1.737 1.00 10.00 C ATOM 516 OH TYR A 47 -6.093 -1.616 1.465 1.00 10.00 O ATOM 0 H TYR A 47 -0.117 3.569 3.360 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.946 1.845 4.704 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.471 3.166 2.668 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.329 2.207 1.748 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.211 0.457 0.483 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.278 1.636 4.017 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.969 -1.184 0.000 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.037 -0.008 3.535 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.778 -1.581 2.165 1.00 10.00 H new ATOM 526 N CYS A 48 0.634 0.509 3.192 1.00 10.00 N ATOM 527 CA CYS A 48 1.399 -0.715 3.021 1.00 10.00 C ATOM 528 C CYS A 48 1.743 -1.347 4.367 1.00 10.00 C ATOM 529 O CYS A 48 1.558 -2.552 4.563 1.00 10.00 O ATOM 530 CB CYS A 48 2.672 -0.430 2.236 1.00 10.00 C ATOM 531 SG CYS A 48 3.284 -1.851 1.320 1.00 10.00 S ATOM 0 H CYS A 48 1.096 1.346 2.836 1.00 10.00 H new ATOM 0 HA CYS A 48 0.784 -1.422 2.465 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.485 0.388 1.540 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.446 -0.091 2.925 1.00 10.00 H new ATOM 0 HG CYS A 48 4.163 -2.484 2.038 1.00 10.00 H new ATOM 537 N GLU A 49 2.232 -0.535 5.297 1.00 10.00 N ATOM 538 CA GLU A 49 2.592 -1.024 6.622 1.00 10.00 C ATOM 539 C GLU A 49 1.337 -1.371 7.420 1.00 10.00 C ATOM 540 O GLU A 49 1.376 -2.201 8.329 1.00 10.00 O ATOM 541 CB GLU A 49 3.438 0.007 7.370 1.00 10.00 C ATOM 542 CG GLU A 49 4.828 0.201 6.776 1.00 10.00 C ATOM 543 CD GLU A 49 5.607 -1.096 6.663 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.989 -1.661 7.712 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.850 -1.556 5.530 1.00 10.00 O ATOM 0 H GLU A 49 2.388 0.463 5.158 1.00 10.00 H new ATOM 0 HA GLU A 49 3.188 -1.929 6.503 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.915 0.963 7.370 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.536 -0.302 8.411 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.736 0.651 5.788 1.00 10.00 H new ATOM 0 HG3 GLU A 49 5.388 0.903 7.395 1.00 10.00 H new ATOM 552 N ARG A 50 0.226 -0.731 7.066 1.00 10.00 N ATOM 553 CA ARG A 50 -1.056 -0.982 7.719 1.00 10.00 C ATOM 554 C ARG A 50 -1.493 -2.415 7.439 1.00 10.00 C ATOM 555 O ARG A 50 -2.011 -3.111 8.314 1.00 10.00 O ATOM 556 CB ARG A 50 -2.111 0.001 7.204 1.00 10.00 C ATOM 557 CG ARG A 50 -3.382 0.054 8.039 1.00 10.00 C ATOM 558 CD ARG A 50 -3.484 1.354 8.810 1.00 10.00 C ATOM 559 NE ARG A 50 -3.003 1.217 10.178 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.788 1.288 11.249 1.00 10.00 C ATOM 561 NH1 ARG A 50 -5.103 1.429 11.109 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.259 1.201 12.462 1.00 10.00 N ATOM 0 H ARG A 50 0.188 -0.030 6.326 1.00 10.00 H new ATOM 0 HA ARG A 50 -0.947 -0.841 8.794 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.673 0.999 7.167 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.374 -0.270 6.181 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.251 -0.054 7.389 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.397 -0.785 8.734 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.907 2.125 8.299 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.522 1.688 8.822 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.006 1.057 10.323 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.514 1.483 10.177 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.701 1.483 11.934 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.252 1.080 12.572 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.859 1.255 13.285 1.00 10.00 H new ATOM 576 N GLN A 51 -1.272 -2.848 6.204 1.00 10.00 N ATOM 577 CA GLN A 51 -1.614 -4.197 5.788 1.00 10.00 C ATOM 578 C GLN A 51 -0.504 -5.163 6.184 1.00 10.00 C ATOM 579 O GLN A 51 -0.760 -6.315 6.535 1.00 10.00 O ATOM 580 CB GLN A 51 -1.841 -4.246 4.277 1.00 10.00 C ATOM 581 CG GLN A 51 -2.997 -3.374 3.807 1.00 10.00 C ATOM 582 CD GLN A 51 -4.315 -3.749 4.461 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.664 -3.237 5.523 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.060 -4.643 3.829 1.00 10.00 N ATOM 0 H GLN A 51 -0.854 -2.277 5.470 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.536 -4.494 6.288 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.929 -3.930 3.770 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.030 -5.277 3.979 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.772 -2.330 4.025 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.095 -3.460 2.725 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -4.737 -5.046 2.949 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -5.957 -4.929 4.222 1.00 10.00 H new ATOM 593 N GLY A 52 0.729 -4.678 6.128 1.00 10.00 N ATOM 594 CA GLY A 52 1.870 -5.494 6.484 1.00 10.00 C ATOM 595 C GLY A 52 2.493 -6.167 5.279 1.00 10.00 C ATOM 596 O GLY A 52 2.773 -7.364 5.306 1.00 10.00 O ATOM 0 H GLY A 52 0.959 -3.727 5.840 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.618 -4.874 6.978 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.561 -6.253 7.202 1.00 10.00 H new ATOM 600 N LEU A 53 2.711 -5.397 4.222 1.00 10.00 N ATOM 601 CA LEU A 53 3.302 -5.929 2.997 1.00 10.00 C ATOM 602 C LEU A 53 4.388 -4.994 2.481 1.00 10.00 C ATOM 603 O LEU A 53 4.572 -3.898 3.010 1.00 10.00 O ATOM 604 CB LEU A 53 2.225 -6.113 1.921 1.00 10.00 C ATOM 605 CG LEU A 53 1.108 -7.100 2.269 1.00 10.00 C ATOM 606 CD1 LEU A 53 0.015 -7.063 1.214 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.663 -8.510 2.411 1.00 10.00 C ATOM 0 H LEU A 53 2.488 -4.402 4.186 1.00 10.00 H new ATOM 0 HA LEU A 53 3.747 -6.898 3.225 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.776 -5.142 1.711 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.707 -6.446 1.002 1.00 10.00 H new ATOM 0 HG LEU A 53 0.675 -6.803 3.224 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -0.770 -7.771 1.479 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.405 -6.059 1.160 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.435 -7.333 0.245 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.853 -9.197 2.658 1.00 10.00 H new ATOM 0 HD22 LEU A 53 2.124 -8.816 1.472 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.410 -8.529 3.205 1.00 10.00 H new ATOM 619 N SER A 54 5.111 -5.434 1.459 1.00 10.00 N ATOM 620 CA SER A 54 6.165 -4.625 0.864 1.00 10.00 C ATOM 621 C SER A 54 5.563 -3.621 -0.115 1.00 10.00 C ATOM 622 O SER A 54 4.665 -3.960 -0.889 1.00 10.00 O ATOM 623 CB SER A 54 7.185 -5.515 0.144 1.00 10.00 C ATOM 624 OG SER A 54 8.168 -4.733 -0.519 1.00 10.00 O ATOM 0 H SER A 54 4.986 -6.348 1.025 1.00 10.00 H new ATOM 0 HA SER A 54 6.678 -4.084 1.659 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.667 -6.177 0.864 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.672 -6.150 -0.579 1.00 10.00 H new ATOM 0 HG SER A 54 8.807 -5.324 -0.969 1.00 10.00 H new ATOM 630 N MET A 55 6.069 -2.391 -0.087 1.00 10.00 N ATOM 631 CA MET A 55 5.579 -1.328 -0.964 1.00 10.00 C ATOM 632 C MET A 55 5.770 -1.686 -2.436 1.00 10.00 C ATOM 633 O MET A 55 5.098 -1.148 -3.312 1.00 10.00 O ATOM 634 CB MET A 55 6.298 -0.010 -0.656 1.00 10.00 C ATOM 635 CG MET A 55 5.623 1.215 -1.267 1.00 10.00 C ATOM 636 SD MET A 55 6.589 2.727 -1.064 1.00 10.00 S ATOM 637 CE MET A 55 7.923 2.441 -2.226 1.00 10.00 C ATOM 0 H MET A 55 6.823 -2.103 0.537 1.00 10.00 H new ATOM 0 HA MET A 55 4.512 -1.212 -0.776 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.355 0.119 0.425 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.322 -0.071 -1.024 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.454 1.038 -2.329 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.644 1.351 -0.807 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.448 3.377 -2.415 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.618 1.712 -1.809 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.515 2.059 -3.162 1.00 10.00 H new ATOM 647 N ARG A 56 6.678 -2.611 -2.703 1.00 10.00 N ATOM 648 CA ARG A 56 6.955 -3.024 -4.066 1.00 10.00 C ATOM 649 C ARG A 56 6.042 -4.166 -4.502 1.00 10.00 C ATOM 650 O ARG A 56 6.070 -4.578 -5.662 1.00 10.00 O ATOM 651 CB ARG A 56 8.414 -3.439 -4.208 1.00 10.00 C ATOM 652 CG ARG A 56 9.132 -2.732 -5.342 1.00 10.00 C ATOM 653 CD ARG A 56 10.532 -3.278 -5.534 1.00 10.00 C ATOM 654 NE ARG A 56 11.224 -2.622 -6.636 1.00 10.00 N ATOM 655 CZ ARG A 56 12.307 -3.111 -7.234 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.819 -4.276 -6.842 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.874 -2.439 -8.223 1.00 10.00 N ATOM 0 H ARG A 56 7.234 -3.088 -1.994 1.00 10.00 H new ATOM 0 HA ARG A 56 6.760 -2.171 -4.716 1.00 10.00 H new ATOM 0 HB2 ARG A 56 8.935 -3.234 -3.273 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.464 -4.516 -4.371 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.564 -2.850 -6.265 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.182 -1.663 -5.133 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.103 -3.144 -4.615 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.481 -4.350 -5.724 1.00 10.00 H new ATOM 0 HE ARG A 56 10.855 -1.732 -6.970 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.381 -4.796 -6.082 1.00 10.00 H new ATOM 0 HH12 ARG A 56 13.649 -4.649 -7.302 1.00 10.00 H new ATOM 0 HH21 ARG A 56 12.481 -1.548 -8.525 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.704 -2.812 -8.683 1.00 10.00 H new ATOM 671 N GLN A 57 5.220 -4.660 -3.587 1.00 10.00 N ATOM 672 CA GLN A 57 4.313 -5.758 -3.898 1.00 10.00 C ATOM 673 C GLN A 57 2.968 -5.230 -4.383 1.00 10.00 C ATOM 674 O GLN A 57 2.185 -5.959 -4.992 1.00 10.00 O ATOM 675 CB GLN A 57 4.109 -6.651 -2.675 1.00 10.00 C ATOM 676 CG GLN A 57 3.502 -8.007 -3.007 1.00 10.00 C ATOM 677 CD GLN A 57 2.693 -8.578 -1.862 1.00 10.00 C ATOM 678 OE1 GLN A 57 2.986 -8.335 -0.692 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.663 -9.339 -2.195 1.00 10.00 N ATOM 0 H GLN A 57 5.162 -4.320 -2.627 1.00 10.00 H new ATOM 0 HA GLN A 57 4.764 -6.349 -4.695 1.00 10.00 H new ATOM 0 HB2 GLN A 57 5.069 -6.803 -2.182 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.463 -6.137 -1.964 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.864 -7.910 -3.885 1.00 10.00 H new ATOM 0 HG3 GLN A 57 4.299 -8.704 -3.267 1.00 10.00 H new ATOM 0 HE21 GLN A 57 1.456 -9.515 -3.178 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.076 -9.750 -1.469 1.00 10.00 H new ATOM 688 N ILE A 58 2.699 -3.963 -4.114 1.00 10.00 N ATOM 689 CA ILE A 58 1.443 -3.354 -4.525 1.00 10.00 C ATOM 690 C ILE A 58 1.692 -2.143 -5.416 1.00 10.00 C ATOM 691 O ILE A 58 2.817 -1.647 -5.506 1.00 10.00 O ATOM 692 CB ILE A 58 0.586 -2.933 -3.313 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.438 -2.182 -2.284 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.077 -4.153 -2.683 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.652 -1.675 -1.092 1.00 10.00 C ATOM 0 H ILE A 58 3.331 -3.337 -3.614 1.00 10.00 H new ATOM 0 HA ILE A 58 0.895 -4.109 -5.088 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.197 -2.258 -3.659 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.230 -2.842 -1.931 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.922 -1.337 -2.774 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.678 -3.840 -1.829 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.717 -4.640 -3.419 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.690 -4.852 -2.350 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.323 -1.155 -0.408 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.123 -0.988 -1.433 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.190 -2.517 -0.576 1.00 10.00 H new ATOM 707 N ARG A 59 0.646 -1.690 -6.092 1.00 10.00 N ATOM 708 CA ARG A 59 0.736 -0.537 -6.977 1.00 10.00 C ATOM 709 C ARG A 59 -0.442 0.399 -6.738 1.00 10.00 C ATOM 710 O ARG A 59 -1.595 -0.032 -6.730 1.00 10.00 O ATOM 711 CB ARG A 59 0.747 -0.974 -8.448 1.00 10.00 C ATOM 712 CG ARG A 59 1.976 -1.778 -8.854 1.00 10.00 C ATOM 713 CD ARG A 59 3.254 -0.959 -8.734 1.00 10.00 C ATOM 714 NE ARG A 59 4.425 -1.712 -9.183 1.00 10.00 N ATOM 715 CZ ARG A 59 5.105 -2.564 -8.416 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.768 -2.731 -7.145 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.128 -3.242 -8.918 1.00 10.00 N ATOM 0 H ARG A 59 -0.283 -2.108 -6.043 1.00 10.00 H new ATOM 0 HA ARG A 59 1.668 -0.017 -6.759 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.144 -1.570 -8.644 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.683 -0.087 -9.079 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.053 -2.666 -8.226 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.861 -2.123 -9.881 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.159 -0.048 -9.325 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.394 -0.653 -7.697 1.00 10.00 H new ATOM 0 HE ARG A 59 4.741 -1.577 -10.143 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.986 -2.207 -6.751 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.290 -3.384 -6.560 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.396 -3.112 -9.893 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.647 -3.893 -8.329 1.00 10.00 H new ATOM 731 N PHE A 60 -0.148 1.675 -6.542 1.00 10.00 N ATOM 732 CA PHE A 60 -1.188 2.667 -6.311 1.00 10.00 C ATOM 733 C PHE A 60 -1.575 3.335 -7.623 1.00 10.00 C ATOM 734 O PHE A 60 -0.714 3.704 -8.422 1.00 10.00 O ATOM 735 CB PHE A 60 -0.719 3.711 -5.299 1.00 10.00 C ATOM 736 CG PHE A 60 -0.812 3.248 -3.872 1.00 10.00 C ATOM 737 CD1 PHE A 60 -0.025 2.203 -3.413 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.680 3.865 -2.983 1.00 10.00 C ATOM 739 CE1 PHE A 60 -0.105 1.780 -2.101 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.763 3.445 -1.670 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.972 2.403 -1.229 1.00 10.00 C ATOM 0 H PHE A 60 0.801 2.048 -6.538 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.064 2.164 -5.902 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.314 3.980 -5.519 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.316 4.615 -5.419 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.659 1.714 -4.090 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.298 4.683 -3.322 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.511 0.962 -1.758 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.446 3.931 -0.989 1.00 10.00 H new ATOM 0 HZ PHE A 60 -1.032 2.076 -0.201 1.00 10.00 H new ATOM 751 N ARG A 61 -2.871 3.485 -7.846 1.00 10.00 N ATOM 752 CA ARG A 61 -3.364 4.089 -9.073 1.00 10.00 C ATOM 753 C ARG A 61 -4.355 5.208 -8.775 1.00 10.00 C ATOM 754 O ARG A 61 -5.328 5.011 -8.049 1.00 10.00 O ATOM 755 CB ARG A 61 -4.026 3.014 -9.936 1.00 10.00 C ATOM 756 CG ARG A 61 -4.015 3.316 -11.423 1.00 10.00 C ATOM 757 CD ARG A 61 -4.067 2.032 -12.235 1.00 10.00 C ATOM 758 NE ARG A 61 -4.354 2.275 -13.646 1.00 10.00 N ATOM 759 CZ ARG A 61 -5.021 1.428 -14.426 1.00 10.00 C ATOM 760 NH1 ARG A 61 -5.474 0.278 -13.933 1.00 10.00 N ATOM 761 NH2 ARG A 61 -5.233 1.727 -15.699 1.00 10.00 N ATOM 0 H ARG A 61 -3.600 3.197 -7.193 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.522 4.524 -9.611 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -3.519 2.064 -9.766 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -5.058 2.887 -9.610 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -4.867 3.947 -11.677 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -3.116 3.877 -11.678 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -3.114 1.510 -12.146 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.831 1.374 -11.820 1.00 10.00 H new ATOM 0 HE ARG A 61 -4.023 3.147 -14.059 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -5.310 0.043 -12.954 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -5.985 -0.369 -14.534 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -4.885 2.606 -16.081 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -5.744 1.078 -16.297 1.00 10.00 H new ATOM 775 N PHE A 62 -4.098 6.381 -9.337 1.00 10.00 N ATOM 776 CA PHE A 62 -4.971 7.529 -9.145 1.00 10.00 C ATOM 777 C PHE A 62 -5.578 7.947 -10.475 1.00 10.00 C ATOM 778 O PHE A 62 -4.849 8.233 -11.430 1.00 10.00 O ATOM 779 CB PHE A 62 -4.204 8.708 -8.532 1.00 10.00 C ATOM 780 CG PHE A 62 -4.950 10.011 -8.608 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.084 10.223 -7.839 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.522 11.021 -9.457 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.777 11.416 -7.918 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.209 12.215 -9.536 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.339 12.413 -8.766 1.00 10.00 C ATOM 0 H PHE A 62 -3.289 6.562 -9.931 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.765 7.241 -8.457 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.983 8.485 -7.488 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.248 8.815 -9.044 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.429 9.448 -7.171 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.641 10.871 -10.063 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.661 11.568 -7.316 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.864 12.994 -10.199 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.879 13.346 -8.828 1.00 10.00 H new ATOM 795 N ASP A 63 -6.913 7.954 -10.525 1.00 10.00 N ATOM 796 CA ASP A 63 -7.673 8.345 -11.720 1.00 10.00 C ATOM 797 C ASP A 63 -7.526 7.325 -12.852 1.00 10.00 C ATOM 798 O ASP A 63 -8.518 6.777 -13.336 1.00 10.00 O ATOM 799 CB ASP A 63 -7.248 9.736 -12.202 1.00 10.00 C ATOM 800 CG ASP A 63 -7.994 10.168 -13.446 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.137 10.653 -13.319 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.440 10.027 -14.554 1.00 10.00 O ATOM 0 H ASP A 63 -7.501 7.688 -9.735 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.725 8.374 -11.436 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.421 10.462 -11.407 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.177 9.736 -12.405 1.00 10.00 H new ATOM 807 N GLY A 64 -6.296 7.079 -13.267 1.00 10.00 N ATOM 808 CA GLY A 64 -6.032 6.132 -14.330 1.00 10.00 C ATOM 809 C GLY A 64 -4.561 5.788 -14.435 1.00 10.00 C ATOM 810 O GLY A 64 -4.197 4.732 -14.955 1.00 10.00 O ATOM 0 H GLY A 64 -5.463 7.525 -12.881 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.605 5.222 -14.154 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.375 6.547 -15.278 1.00 10.00 H new ATOM 814 N GLN A 65 -3.712 6.669 -13.920 1.00 10.00 N ATOM 815 CA GLN A 65 -2.270 6.463 -13.968 1.00 10.00 C ATOM 816 C GLN A 65 -1.717 6.131 -12.584 1.00 10.00 C ATOM 817 O GLN A 65 -2.306 6.503 -11.566 1.00 10.00 O ATOM 818 CB GLN A 65 -1.576 7.711 -14.520 1.00 10.00 C ATOM 819 CG GLN A 65 -1.932 8.034 -15.964 1.00 10.00 C ATOM 820 CD GLN A 65 -1.414 7.002 -16.952 1.00 10.00 C ATOM 821 OE1 GLN A 65 -1.394 5.800 -16.677 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.980 7.464 -18.112 1.00 10.00 N ATOM 0 H GLN A 65 -3.998 7.535 -13.463 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.071 5.619 -14.629 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -1.835 8.565 -13.894 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.497 7.577 -14.445 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.016 8.105 -16.057 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -1.525 9.012 -16.222 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -1.011 8.465 -18.306 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.614 6.820 -18.813 1.00 10.00 H new ATOM 831 N PRO A 66 -0.592 5.399 -12.529 1.00 10.00 N ATOM 832 CA PRO A 66 0.050 5.033 -11.265 1.00 10.00 C ATOM 833 C PRO A 66 0.691 6.237 -10.579 1.00 10.00 C ATOM 834 O PRO A 66 1.158 7.168 -11.241 1.00 10.00 O ATOM 835 CB PRO A 66 1.124 4.025 -11.691 1.00 10.00 C ATOM 836 CG PRO A 66 1.422 4.362 -13.108 1.00 10.00 C ATOM 837 CD PRO A 66 0.132 4.859 -13.695 1.00 10.00 C ATOM 0 HA PRO A 66 -0.662 4.635 -10.542 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.015 4.110 -11.069 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.765 3.000 -11.595 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.199 5.123 -13.173 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.786 3.488 -13.649 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.304 5.625 -14.451 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.425 4.056 -14.177 1.00 10.00 H new ATOM 845 N ILE A 67 0.708 6.214 -9.256 1.00 10.00 N ATOM 846 CA ILE A 67 1.288 7.301 -8.476 1.00 10.00 C ATOM 847 C ILE A 67 2.803 7.127 -8.365 1.00 10.00 C ATOM 848 O ILE A 67 3.294 6.010 -8.204 1.00 10.00 O ATOM 849 CB ILE A 67 0.671 7.365 -7.061 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.855 7.478 -7.155 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.247 8.537 -6.278 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.548 7.516 -5.809 1.00 10.00 C ATOM 0 H ILE A 67 0.326 5.452 -8.696 1.00 10.00 H new ATOM 0 HA ILE A 67 1.067 8.234 -8.994 1.00 10.00 H new ATOM 0 HB ILE A 67 0.921 6.446 -6.531 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.110 8.381 -7.710 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.238 6.633 -7.727 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.800 8.565 -5.284 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.327 8.418 -6.187 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.027 9.467 -6.801 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.625 7.597 -5.956 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.324 6.602 -5.259 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.194 8.377 -5.242 1.00 10.00 H new ATOM 864 N ASN A 68 3.537 8.229 -8.471 1.00 10.00 N ATOM 865 CA ASN A 68 4.990 8.188 -8.377 1.00 10.00 C ATOM 866 C ASN A 68 5.438 8.490 -6.955 1.00 10.00 C ATOM 867 O ASN A 68 4.684 9.058 -6.162 1.00 10.00 O ATOM 868 CB ASN A 68 5.625 9.194 -9.344 1.00 10.00 C ATOM 869 CG ASN A 68 5.198 8.981 -10.786 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.801 8.196 -11.519 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.149 9.674 -11.203 1.00 10.00 N ATOM 0 H ASN A 68 3.149 9.160 -8.622 1.00 10.00 H new ATOM 0 HA ASN A 68 5.318 7.185 -8.649 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.356 10.205 -9.037 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.710 9.119 -9.277 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.815 9.567 -12.161 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.675 10.315 -10.566 1.00 10.00 H new ATOM 878 N GLU A 69 6.678 8.133 -6.644 1.00 10.00 N ATOM 879 CA GLU A 69 7.239 8.355 -5.314 1.00 10.00 C ATOM 880 C GLU A 69 7.548 9.832 -5.076 1.00 10.00 C ATOM 881 O GLU A 69 7.980 10.215 -3.991 1.00 10.00 O ATOM 882 CB GLU A 69 8.512 7.529 -5.128 1.00 10.00 C ATOM 883 CG GLU A 69 8.284 6.030 -5.195 1.00 10.00 C ATOM 884 CD GLU A 69 9.576 5.248 -5.090 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.024 4.975 -3.954 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.160 4.913 -6.143 1.00 10.00 O ATOM 0 H GLU A 69 7.319 7.685 -7.299 1.00 10.00 H new ATOM 0 HA GLU A 69 6.491 8.040 -4.586 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.233 7.812 -5.895 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.957 7.777 -4.164 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.614 5.730 -4.389 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.787 5.782 -6.133 1.00 10.00 H new ATOM 893 N THR A 70 7.333 10.657 -6.088 1.00 10.00 N ATOM 894 CA THR A 70 7.589 12.082 -5.973 1.00 10.00 C ATOM 895 C THR A 70 6.337 12.891 -6.293 1.00 10.00 C ATOM 896 O THR A 70 6.416 14.046 -6.713 1.00 10.00 O ATOM 897 CB THR A 70 8.736 12.505 -6.909 1.00 10.00 C ATOM 898 OG1 THR A 70 9.300 11.342 -7.535 1.00 10.00 O ATOM 899 CG2 THR A 70 9.819 13.245 -6.138 1.00 10.00 C ATOM 0 H THR A 70 6.981 10.363 -6.999 1.00 10.00 H new ATOM 0 HA THR A 70 7.879 12.284 -4.942 1.00 10.00 H new ATOM 0 HB THR A 70 8.333 13.175 -7.669 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.029 11.613 -8.132 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.619 13.534 -6.820 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.394 14.137 -5.679 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.222 12.595 -5.362 1.00 10.00 H new ATOM 907 N ASP A 71 5.176 12.284 -6.080 1.00 10.00 N ATOM 908 CA ASP A 71 3.912 12.953 -6.354 1.00 10.00 C ATOM 909 C ASP A 71 3.266 13.462 -5.076 1.00 10.00 C ATOM 910 O ASP A 71 3.451 12.893 -3.997 1.00 10.00 O ATOM 911 CB ASP A 71 2.939 12.016 -7.071 1.00 10.00 C ATOM 912 CG ASP A 71 3.169 11.959 -8.565 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.558 12.991 -9.152 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.963 10.883 -9.159 1.00 10.00 O ATOM 0 H ASP A 71 5.084 11.334 -5.720 1.00 10.00 H new ATOM 0 HA ASP A 71 4.135 13.803 -7.000 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.035 11.013 -6.655 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.918 12.344 -6.878 1.00 10.00 H new ATOM 919 N THR A 72 2.517 14.544 -5.208 1.00 10.00 N ATOM 920 CA THR A 72 1.808 15.140 -4.090 1.00 10.00 C ATOM 921 C THR A 72 0.364 15.420 -4.504 1.00 10.00 C ATOM 922 O THR A 72 0.067 15.479 -5.702 1.00 10.00 O ATOM 923 CB THR A 72 2.474 16.458 -3.628 1.00 10.00 C ATOM 924 OG1 THR A 72 2.804 17.265 -4.761 1.00 10.00 O ATOM 925 CG2 THR A 72 3.731 16.190 -2.813 1.00 10.00 C ATOM 0 H THR A 72 2.384 15.033 -6.093 1.00 10.00 H new ATOM 0 HA THR A 72 1.837 14.439 -3.256 1.00 10.00 H new ATOM 0 HB THR A 72 1.761 16.986 -2.995 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.223 18.098 -4.459 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.173 17.137 -2.505 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.474 15.605 -1.930 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.447 15.636 -3.420 1.00 10.00 H new ATOM 933 N PRO A 73 -0.555 15.588 -3.540 1.00 10.00 N ATOM 934 CA PRO A 73 -1.965 15.866 -3.839 1.00 10.00 C ATOM 935 C PRO A 73 -2.144 17.096 -4.728 1.00 10.00 C ATOM 936 O PRO A 73 -2.945 17.088 -5.662 1.00 10.00 O ATOM 937 CB PRO A 73 -2.584 16.103 -2.458 1.00 10.00 C ATOM 938 CG PRO A 73 -1.690 15.382 -1.513 1.00 10.00 C ATOM 939 CD PRO A 73 -0.309 15.500 -2.088 1.00 10.00 C ATOM 0 HA PRO A 73 -2.430 15.051 -4.393 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.633 17.166 -2.223 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.603 15.719 -2.410 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.738 15.821 -0.517 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.985 14.337 -1.415 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.209 16.383 -1.713 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.307 14.637 -1.836 1.00 10.00 H new ATOM 947 N ALA A 74 -1.376 18.144 -4.452 1.00 10.00 N ATOM 948 CA ALA A 74 -1.458 19.378 -5.226 1.00 10.00 C ATOM 949 C ALA A 74 -0.814 19.220 -6.606 1.00 10.00 C ATOM 950 O ALA A 74 -1.192 19.906 -7.557 1.00 10.00 O ATOM 951 CB ALA A 74 -0.807 20.518 -4.458 1.00 10.00 C ATOM 0 H ALA A 74 -0.689 18.164 -3.698 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.511 19.610 -5.382 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.873 21.435 -5.043 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.321 20.657 -3.507 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.240 20.280 -4.273 1.00 10.00 H new ATOM 957 N GLN A 75 0.145 18.307 -6.711 1.00 10.00 N ATOM 958 CA GLN A 75 0.848 18.062 -7.968 1.00 10.00 C ATOM 959 C GLN A 75 -0.042 17.320 -8.961 1.00 10.00 C ATOM 960 O GLN A 75 -0.095 17.665 -10.142 1.00 10.00 O ATOM 961 CB GLN A 75 2.128 17.265 -7.695 1.00 10.00 C ATOM 962 CG GLN A 75 2.811 16.715 -8.941 1.00 10.00 C ATOM 963 CD GLN A 75 3.305 17.800 -9.876 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.652 18.902 -9.451 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.349 17.490 -11.159 1.00 10.00 N ATOM 0 H GLN A 75 0.456 17.720 -5.937 1.00 10.00 H new ATOM 0 HA GLN A 75 1.110 19.022 -8.412 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.832 17.905 -7.163 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.888 16.434 -7.031 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.653 16.091 -8.641 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.113 16.072 -9.477 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.052 16.565 -11.471 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.680 18.175 -11.838 1.00 10.00 H new ATOM 974 N LEU A 76 -0.752 16.310 -8.475 1.00 10.00 N ATOM 975 CA LEU A 76 -1.632 15.522 -9.329 1.00 10.00 C ATOM 976 C LEU A 76 -3.022 16.141 -9.408 1.00 10.00 C ATOM 977 O LEU A 76 -3.936 15.553 -9.989 1.00 10.00 O ATOM 978 CB LEU A 76 -1.727 14.082 -8.819 1.00 10.00 C ATOM 979 CG LEU A 76 -0.470 13.233 -9.016 1.00 10.00 C ATOM 980 CD1 LEU A 76 -0.715 11.809 -8.549 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.038 13.244 -10.474 1.00 10.00 C ATOM 0 H LEU A 76 -0.736 16.018 -7.498 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.204 15.515 -10.331 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -1.966 14.106 -7.756 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.560 13.590 -9.322 1.00 10.00 H new ATOM 0 HG LEU A 76 0.332 13.664 -8.417 1.00 10.00 H new ATOM 0 HD11 LEU A 76 0.189 11.217 -8.696 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.978 11.813 -7.491 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.532 11.373 -9.124 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.858 12.634 -10.593 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -0.838 12.838 -11.094 1.00 10.00 H new ATOM 0 HD23 LEU A 76 0.176 14.267 -10.782 1.00 10.00 H new ATOM 993 N GLU A 77 -3.166 17.328 -8.825 1.00 10.00 N ATOM 994 CA GLU A 77 -4.436 18.051 -8.812 1.00 10.00 C ATOM 995 C GLU A 77 -5.550 17.203 -8.208 1.00 10.00 C ATOM 996 O GLU A 77 -6.600 16.994 -8.820 1.00 10.00 O ATOM 997 CB GLU A 77 -4.814 18.512 -10.224 1.00 10.00 C ATOM 998 CG GLU A 77 -3.977 19.679 -10.730 1.00 10.00 C ATOM 999 CD GLU A 77 -4.199 20.954 -9.935 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -4.883 20.907 -8.893 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -3.690 22.016 -10.353 1.00 10.00 O ATOM 0 H GLU A 77 -2.407 17.816 -8.349 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.309 18.933 -8.184 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.706 17.673 -10.912 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.866 18.799 -10.234 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.922 19.409 -10.686 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.216 19.864 -11.777 1.00 10.00 H new ATOM 1008 N MET A 78 -5.311 16.716 -7.002 1.00 10.00 N ATOM 1009 CA MET A 78 -6.284 15.896 -6.302 1.00 10.00 C ATOM 1010 C MET A 78 -7.111 16.769 -5.373 1.00 10.00 C ATOM 1011 O MET A 78 -6.598 17.730 -4.799 1.00 10.00 O ATOM 1012 CB MET A 78 -5.582 14.800 -5.497 1.00 10.00 C ATOM 1013 CG MET A 78 -4.575 13.999 -6.306 1.00 10.00 C ATOM 1014 SD MET A 78 -3.504 12.978 -5.277 1.00 10.00 S ATOM 1015 CE MET A 78 -4.684 11.797 -4.631 1.00 10.00 C ATOM 0 H MET A 78 -4.446 16.876 -6.485 1.00 10.00 H new ATOM 0 HA MET A 78 -6.938 15.423 -7.035 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.073 15.255 -4.647 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.333 14.121 -5.093 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.108 13.362 -7.012 1.00 10.00 H new ATOM 0 HG3 MET A 78 -3.962 14.683 -6.894 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.850 11.991 -3.571 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.627 11.893 -5.169 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.295 10.787 -4.759 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.384 16.447 -5.239 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.264 17.213 -4.376 1.00 10.00 C ATOM 1027 C GLU A 79 -9.706 16.386 -3.182 1.00 10.00 C ATOM 1028 O GLU A 79 -9.410 15.193 -3.092 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.484 17.720 -5.147 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.425 19.208 -5.457 1.00 10.00 C ATOM 1031 CD GLU A 79 -9.898 20.029 -4.294 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.261 19.745 -3.129 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.109 20.964 -4.537 1.00 10.00 O ATOM 0 H GLU A 79 -8.831 15.663 -5.715 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.703 18.074 -4.013 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.571 17.165 -6.081 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.383 17.512 -4.567 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.789 19.369 -6.327 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.422 19.559 -5.722 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.406 17.033 -2.262 1.00 10.00 N ATOM 1041 CA ASP A 80 -10.891 16.369 -1.062 1.00 10.00 C ATOM 1042 C ASP A 80 -11.916 15.302 -1.419 1.00 10.00 C ATOM 1043 O ASP A 80 -12.759 15.509 -2.298 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.501 17.384 -0.093 1.00 10.00 C ATOM 1045 CG ASP A 80 -11.371 16.950 1.354 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -10.424 17.402 2.033 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -12.211 16.160 1.821 1.00 10.00 O ATOM 0 H ASP A 80 -10.651 18.021 -2.324 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.044 15.889 -0.573 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.012 18.349 -0.226 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.555 17.525 -0.334 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.816 14.163 -0.742 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.708 13.025 -0.950 1.00 10.00 C ATOM 1054 C GLU A 81 -12.520 12.410 -2.336 1.00 10.00 C ATOM 1055 O GLU A 81 -13.486 12.036 -3.008 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.168 13.415 -0.703 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.472 13.665 0.766 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.955 13.768 1.053 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.392 14.822 1.559 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.691 12.792 0.780 1.00 10.00 O ATOM 0 H GLU A 81 -11.107 14.001 -0.027 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.442 12.261 -0.220 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.401 14.313 -1.275 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.818 12.623 -1.074 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.047 12.857 1.362 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -13.981 14.586 1.081 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.264 12.308 -2.762 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.942 11.697 -4.046 1.00 10.00 C ATOM 1069 C ASP A 82 -10.798 10.193 -3.839 1.00 10.00 C ATOM 1070 O ASP A 82 -10.950 9.710 -2.715 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.657 12.283 -4.637 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.692 12.354 -6.155 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.936 11.310 -6.803 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.483 13.459 -6.707 1.00 10.00 O ATOM 0 H ASP A 82 -10.455 12.640 -2.237 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.744 11.904 -4.755 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.499 13.283 -4.234 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.808 11.675 -4.325 1.00 10.00 H new ATOM 1079 N THR A 83 -10.493 9.447 -4.889 1.00 10.00 N ATOM 1080 CA THR A 83 -10.366 8.001 -4.764 1.00 10.00 C ATOM 1081 C THR A 83 -9.034 7.483 -5.302 1.00 10.00 C ATOM 1082 O THR A 83 -8.602 7.849 -6.396 1.00 10.00 O ATOM 1083 CB THR A 83 -11.519 7.286 -5.491 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.764 7.925 -5.172 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.583 5.817 -5.096 1.00 10.00 C ATOM 0 H THR A 83 -10.330 9.812 -5.828 1.00 10.00 H new ATOM 0 HA THR A 83 -10.408 7.780 -3.697 1.00 10.00 H new ATOM 0 HB THR A 83 -11.339 7.348 -6.564 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.495 7.468 -5.638 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.406 5.334 -5.623 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.646 5.328 -5.361 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.744 5.736 -4.021 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.386 6.635 -4.510 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.122 6.022 -4.890 1.00 10.00 C ATOM 1095 C ILE A 84 -7.283 4.504 -4.886 1.00 10.00 C ATOM 1096 O ILE A 84 -7.837 3.939 -3.940 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.975 6.423 -3.933 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.879 7.948 -3.822 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.652 5.838 -4.410 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.873 8.426 -2.797 1.00 10.00 C ATOM 0 H ILE A 84 -8.723 6.355 -3.589 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.859 6.377 -5.887 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.193 6.018 -2.945 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.613 8.357 -4.796 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.861 8.346 -3.566 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.857 6.131 -3.725 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.724 4.751 -4.439 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.427 6.213 -5.408 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.863 9.516 -2.777 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.149 8.048 -1.813 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.881 8.059 -3.062 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.822 3.855 -5.946 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.933 2.405 -6.064 1.00 10.00 C ATOM 1114 C ASP A 85 -5.598 1.734 -5.757 1.00 10.00 C ATOM 1115 O ASP A 85 -4.533 2.321 -5.979 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.398 2.022 -7.469 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.385 0.873 -7.460 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.198 -0.076 -6.677 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.357 0.915 -8.246 1.00 10.00 O ATOM 0 H ASP A 85 -6.367 4.309 -6.738 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.670 2.060 -5.339 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.858 2.888 -7.945 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.533 1.749 -8.073 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.662 0.508 -5.254 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.465 -0.250 -4.903 1.00 10.00 C ATOM 1126 C VAL A 86 -4.536 -1.661 -5.481 1.00 10.00 C ATOM 1127 O VAL A 86 -5.410 -2.448 -5.117 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.268 -0.346 -3.371 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.955 -1.044 -3.041 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.313 1.034 -2.735 1.00 10.00 C ATOM 0 H VAL A 86 -6.536 0.013 -5.078 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.617 0.286 -5.329 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.085 -0.939 -2.960 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.835 -1.101 -1.959 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.963 -2.051 -3.459 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.126 -0.480 -3.468 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.172 0.943 -1.658 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.520 1.654 -3.153 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.279 1.496 -2.937 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.612 -1.981 -6.374 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.579 -3.296 -7.002 1.00 10.00 C ATOM 1142 C PHE A 87 -2.350 -4.081 -6.553 1.00 10.00 C ATOM 1143 O PHE A 87 -1.380 -3.504 -6.064 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.581 -3.155 -8.528 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.841 -2.545 -9.074 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.989 -3.305 -9.214 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.874 -1.211 -9.453 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.150 -2.748 -9.712 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.032 -0.647 -9.953 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.171 -1.417 -10.086 1.00 10.00 C ATOM 0 H PHE A 87 -2.873 -1.348 -6.681 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.470 -3.843 -6.693 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.731 -2.543 -8.829 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.440 -4.139 -8.976 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.977 -4.347 -8.930 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.984 -0.606 -9.356 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -8.041 -3.351 -9.809 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.047 0.394 -10.239 1.00 10.00 H new ATOM 0 HZ PHE A 87 -8.076 -0.980 -10.481 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.403 -5.397 -6.718 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.299 -6.271 -6.340 1.00 10.00 C ATOM 1162 C GLN A 88 -0.423 -6.584 -7.551 1.00 10.00 C ATOM 1163 O GLN A 88 -0.932 -6.850 -8.641 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.835 -7.574 -5.738 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.246 -7.455 -4.277 1.00 10.00 C ATOM 1166 CD GLN A 88 -3.194 -8.558 -3.838 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -3.209 -9.648 -4.412 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -3.985 -8.283 -2.815 1.00 10.00 N ATOM 0 H GLN A 88 -3.206 -5.886 -7.114 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.695 -5.755 -5.594 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.694 -7.906 -6.321 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.071 -8.346 -5.829 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.354 -7.479 -3.651 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -2.723 -6.488 -4.116 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.941 -7.367 -2.368 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -4.640 -8.987 -2.473 1.00 10.00 H new ATOM 1177 N GLN A 89 0.888 -6.545 -7.354 1.00 10.00 N ATOM 1178 CA GLN A 89 1.834 -6.828 -8.425 1.00 10.00 C ATOM 1179 C GLN A 89 1.838 -8.316 -8.745 1.00 10.00 C ATOM 1180 O GLN A 89 1.749 -9.150 -7.842 1.00 10.00 O ATOM 1181 CB GLN A 89 3.241 -6.364 -8.026 1.00 10.00 C ATOM 1182 CG GLN A 89 4.260 -6.460 -9.148 1.00 10.00 C ATOM 1183 CD GLN A 89 3.880 -5.625 -10.356 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.233 -4.588 -10.231 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.276 -6.076 -11.533 1.00 10.00 N ATOM 0 H GLN A 89 1.322 -6.319 -6.459 1.00 10.00 H new ATOM 0 HA GLN A 89 1.527 -6.282 -9.317 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.189 -5.331 -7.683 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.585 -6.963 -7.183 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.233 -6.136 -8.779 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.365 -7.502 -9.450 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.812 -6.942 -11.593 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.046 -5.558 -12.381 1.00 10.00 H new ATOM 1194 N GLN A 90 1.940 -8.641 -10.030 1.00 10.00 N ATOM 1195 CA GLN A 90 1.950 -10.030 -10.480 1.00 10.00 C ATOM 1196 C GLN A 90 3.081 -10.806 -9.816 1.00 10.00 C ATOM 1197 O GLN A 90 4.236 -10.375 -9.831 1.00 10.00 O ATOM 1198 CB GLN A 90 2.095 -10.109 -12.004 1.00 10.00 C ATOM 1199 CG GLN A 90 0.859 -9.661 -12.772 1.00 10.00 C ATOM 1200 CD GLN A 90 0.706 -8.150 -12.828 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.692 -7.413 -12.783 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.527 -7.680 -12.930 1.00 10.00 N ATOM 0 H GLN A 90 2.017 -7.957 -10.783 1.00 10.00 H new ATOM 0 HA GLN A 90 0.999 -10.478 -10.193 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.942 -9.494 -12.310 1.00 10.00 H new ATOM 0 HB3 GLN A 90 2.330 -11.136 -12.283 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.908 -10.053 -13.788 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.027 -10.093 -12.306 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.317 -8.324 -12.964 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -0.687 -6.674 -12.974 1.00 10.00 H new ATOM 1211 N THR A 91 2.735 -11.939 -9.220 1.00 10.00 N ATOM 1212 CA THR A 91 3.702 -12.790 -8.546 1.00 10.00 C ATOM 1213 C THR A 91 4.662 -13.429 -9.546 1.00 10.00 C ATOM 1214 O THR A 91 5.872 -13.490 -9.318 1.00 10.00 O ATOM 1215 CB THR A 91 2.976 -13.890 -7.759 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.591 -13.909 -8.144 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.090 -13.659 -6.261 1.00 10.00 C ATOM 0 H THR A 91 1.778 -12.292 -9.191 1.00 10.00 H new ATOM 0 HA THR A 91 4.278 -12.168 -7.861 1.00 10.00 H new ATOM 0 HB THR A 91 3.442 -14.848 -7.989 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.123 -14.611 -7.646 1.00 10.00 H new ATOM 0 HG21 THR A 91 2.566 -14.454 -5.729 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.141 -13.660 -5.972 1.00 10.00 H new ATOM 0 HG23 THR A 91 2.645 -12.697 -6.006 1.00 10.00 H new ATOM 1225 N GLY A 92 4.108 -13.891 -10.656 1.00 10.00 N ATOM 1226 CA GLY A 92 4.905 -14.517 -11.686 1.00 10.00 C ATOM 1227 C GLY A 92 4.057 -14.930 -12.866 1.00 10.00 C ATOM 1228 O GLY A 92 3.907 -14.124 -13.808 1.00 10.00 O ATOM 0 H GLY A 92 3.110 -13.842 -10.862 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.681 -13.827 -12.018 1.00 10.00 H new ATOM 0 HA3 GLY A 92 5.410 -15.391 -11.276 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -18.428 -4.424 5.369 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.143 -3.030 5.792 1.00 10.00 C ATOM 1235 C ASN B 357 -16.954 -2.987 6.741 1.00 10.00 C ATOM 1236 O ASN B 357 -17.087 -3.300 7.924 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.364 -2.417 6.488 1.00 10.00 C ATOM 1238 CG ASN B 357 -19.117 -0.997 6.974 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -18.681 -0.133 6.216 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.385 -0.753 8.250 1.00 10.00 N ATOM 0 HA ASN B 357 -17.909 -2.453 4.897 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.208 -2.418 5.798 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.645 -3.042 7.336 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -19.230 0.179 8.634 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.746 -1.497 8.847 1.00 10.00 H new ATOM 1247 N ASN B 358 -15.788 -2.645 6.215 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.592 -2.535 7.036 1.00 10.00 C ATOM 1249 C ASN B 358 -14.031 -1.131 6.924 1.00 10.00 C ATOM 1250 O ASN B 358 -13.809 -0.628 5.820 1.00 10.00 O ATOM 1251 CB ASN B 358 -13.531 -3.560 6.619 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.256 -3.452 7.442 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.161 -4.005 8.538 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.267 -2.740 6.920 1.00 10.00 N ATOM 0 H ASN B 358 -15.644 -2.439 5.226 1.00 10.00 H new ATOM 0 HA ASN B 358 -14.865 -2.742 8.071 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -13.941 -4.564 6.722 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.291 -3.421 5.565 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.390 -2.636 7.430 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.384 -2.297 6.009 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.788 -0.503 8.059 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.250 0.843 8.062 1.00 10.00 C ATOM 1263 C ARG B 359 -11.922 0.871 8.787 1.00 10.00 C ATOM 1264 O ARG B 359 -11.806 0.410 9.922 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.234 1.831 8.697 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.829 1.357 10.017 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.708 2.428 10.643 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.575 1.893 11.692 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.857 2.531 12.828 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.339 3.731 13.076 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -17.659 1.965 13.717 1.00 10.00 N ATOM 0 H ARG B 359 -13.953 -0.900 8.984 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.093 1.151 7.028 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.724 2.780 8.861 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.044 2.022 7.994 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.416 0.454 9.850 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -14.027 1.093 10.706 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.078 3.213 11.061 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.321 2.890 9.869 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.990 0.973 11.545 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -15.721 4.170 12.394 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -16.560 4.212 13.948 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -18.058 1.045 13.531 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.878 2.449 14.588 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.926 1.404 8.111 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.585 1.514 8.658 1.00 10.00 C ATOM 1287 C ASP B 360 -9.154 2.976 8.649 1.00 10.00 C ATOM 1288 O ASP B 360 -9.376 3.679 7.663 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.610 0.627 7.878 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.307 0.404 8.622 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.520 1.359 8.764 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.066 -0.736 9.069 1.00 10.00 O ATOM 0 H ASP B 360 -11.021 1.774 7.165 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.580 1.162 9.690 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.080 -0.336 7.678 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.399 1.086 6.912 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.563 3.481 9.738 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.142 4.863 9.806 1.00 10.00 C ATOM 1299 C PRO B 361 -6.627 5.028 9.777 1.00 10.00 C ATOM 1300 O PRO B 361 -5.885 4.419 10.552 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.678 5.244 11.186 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.587 3.977 12.003 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.370 2.829 11.034 1.00 10.00 C ATOM 0 HA PRO B 361 -8.495 5.463 8.967 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.088 6.044 11.632 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.706 5.602 11.125 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.765 4.038 12.716 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.499 3.826 12.580 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.373 2.398 11.129 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.083 2.020 11.194 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.176 5.880 8.871 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.765 6.141 8.704 1.00 10.00 C ATOM 1313 C ILE B 362 -4.472 7.610 8.947 1.00 10.00 C ATOM 1314 O ILE B 362 -5.163 8.491 8.437 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.264 5.726 7.306 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.596 4.248 7.061 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.768 5.979 7.180 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.784 3.594 5.962 1.00 10.00 C ATOM 0 H ILE B 362 -6.778 6.405 8.236 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.231 5.538 9.438 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.767 6.328 6.549 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.440 3.696 7.988 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.654 4.163 6.813 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.431 5.681 6.187 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.565 7.039 7.329 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.236 5.398 7.934 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.085 2.552 5.858 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -3.957 4.117 5.021 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.725 3.642 6.214 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.448 7.859 9.734 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.051 9.212 10.074 1.00 10.00 C ATOM 1332 C VAL B 363 -1.672 9.492 9.512 1.00 10.00 C ATOM 1333 O VAL B 363 -0.764 8.664 9.601 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.057 9.461 11.599 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.804 10.929 11.911 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.375 9.013 12.210 1.00 10.00 C ATOM 0 H VAL B 363 -2.868 7.134 10.156 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.782 9.890 9.633 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.251 8.873 12.038 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.813 11.078 12.991 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.833 11.224 11.512 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.584 11.538 11.454 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.359 9.197 13.284 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.194 9.572 11.758 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.518 7.948 12.026 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.536 10.657 8.923 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.301 11.074 8.301 1.00 10.00 C ATOM 1348 C ILE B 364 0.289 12.237 9.080 1.00 10.00 C ATOM 1349 O ILE B 364 -0.435 13.122 9.546 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.502 11.457 6.806 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.341 10.551 5.910 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.155 12.920 6.539 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.036 9.081 6.084 1.00 10.00 C ATOM 0 H ILE B 364 -2.285 11.347 8.861 1.00 10.00 H new ATOM 0 HA ILE B 364 0.392 10.233 8.321 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.558 11.319 6.574 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.176 10.828 4.869 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.396 10.723 6.122 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.310 13.144 5.484 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -0.795 13.562 7.144 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.888 13.100 6.799 1.00 10.00 H new ATOM 0 HD11 ILE B 364 0.670 8.496 5.418 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.228 8.789 7.117 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -1.011 8.896 5.843 1.00 10.00 H new HETATM 1365 N SEP B 365 1.596 12.207 9.249 1.00 10.00 N HETATM 1366 CA SEP B 365 2.292 13.232 9.988 1.00 10.00 C HETATM 1367 CB SEP B 365 3.248 12.568 10.985 1.00 10.00 C HETATM 1368 OG SEP B 365 3.005 11.163 11.055 1.00 10.00 O HETATM 1369 C SEP B 365 3.062 14.085 9.004 1.00 10.00 C HETATM 1370 O SEP B 365 3.788 13.583 8.145 1.00 10.00 O HETATM 1371 P SEP B 365 3.917 10.127 10.238 1.00 10.00 P HETATM 1372 O1P SEP B 365 3.729 8.721 10.638 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.334 10.515 10.121 1.00 10.00 O HETATM 1374 O3P SEP B 365 3.373 10.183 8.738 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.280 12.749 10.684 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.121 13.014 11.971 1.00 10.00 H new HETATM 0 HA SEP B 365 1.591 13.857 10.540 1.00 10.00 H new HETATM 0 H SEP B 365 1.786 11.223 9.439 1.00 10.00 H new ATOM 1379 N ASP B 366 2.885 15.386 9.141 1.00 10.00 N ATOM 1380 CA ASP B 366 3.488 16.343 8.234 1.00 10.00 C ATOM 1381 C ASP B 366 4.452 17.237 8.971 1.00 10.00 C ATOM 1382 O ASP B 366 4.110 17.821 10.004 1.00 10.00 O ATOM 1383 CB ASP B 366 2.387 17.202 7.587 1.00 10.00 C ATOM 1384 CG ASP B 366 2.892 18.078 6.462 1.00 10.00 C ATOM 1385 OD1 ASP B 366 3.020 19.307 6.666 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.134 17.546 5.363 1.00 10.00 O ATOM 0 H ASP B 366 2.322 15.807 9.880 1.00 10.00 H new ATOM 0 HA ASP B 366 4.034 15.798 7.464 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.604 16.548 7.204 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.931 17.832 8.351 1.00 10.00 H new HETATM 1391 N SEP B 367 5.655 17.328 8.437 1.00 10.00 N HETATM 1392 CA SEP B 367 6.695 18.146 9.015 1.00 10.00 C HETATM 1393 CB SEP B 367 8.027 17.808 8.345 1.00 10.00 C HETATM 1394 OG SEP B 367 8.275 16.406 8.411 1.00 10.00 O HETATM 1395 C SEP B 367 6.360 19.626 8.856 1.00 10.00 C HETATM 1396 O SEP B 367 6.227 20.116 7.733 1.00 10.00 O HETATM 1397 P SEP B 367 8.153 15.504 7.095 1.00 10.00 P HETATM 1398 O1P SEP B 367 9.255 15.687 6.135 1.00 10.00 O HETATM 1399 O2P SEP B 367 7.843 14.092 7.366 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.857 16.050 6.337 1.00 10.00 O HETATM 0 HB3 SEP B 367 8.010 18.132 7.304 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.836 18.350 8.835 1.00 10.00 H new HETATM 0 HA SEP B 367 6.773 17.939 10.082 1.00 10.00 H new HETATM 0 H SEP B 367 5.882 16.659 7.701 1.00 10.00 H new ATOM 1405 N PRO B 368 6.193 20.350 9.981 1.00 10.00 N ATOM 1406 CA PRO B 368 5.869 21.778 9.960 1.00 10.00 C ATOM 1407 C PRO B 368 6.790 22.563 9.036 1.00 10.00 C ATOM 1408 O PRO B 368 6.288 23.149 8.059 1.00 10.00 O ATOM 1409 CB PRO B 368 6.074 22.207 11.411 1.00 10.00 C ATOM 1410 CG PRO B 368 5.823 20.978 12.212 1.00 10.00 C ATOM 1411 CD PRO B 368 6.299 19.829 11.364 1.00 10.00 C ATOM 0 HA PRO B 368 4.863 21.965 9.585 1.00 10.00 H new ATOM 0 HB2 PRO B 368 7.084 22.585 11.573 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.387 23.006 11.688 1.00 10.00 H new ATOM 0 HG2 PRO B 368 6.360 21.013 13.160 1.00 10.00 H new ATOM 0 HG3 PRO B 368 4.764 20.876 12.449 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.323 19.547 11.609 1.00 10.00 H new ATOM 0 HD3 PRO B 368 5.681 18.942 11.507 1.00 10.00 H new TER 1419 PRO B 368