USER MOD reduce.3.24.130724 H: found=0, std=0, add=1494, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 1496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 MET CE :methyl 180:sc=-0.000288 (180deg=0) USER MOD Set 1.2: B 86 CYS SG : rot 180:sc= -0.357 USER MOD Set 2.1: B 80 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 84 MET CE :methyl -155:sc= -0.734 (180deg=-2.59!) USER MOD Set 3.1: A 76 CYS SG : rot -57:sc= -2.45 USER MOD Set 3.2: B 76 CYS SG : rot -60:sc= -2.25 USER MOD Set 4.1: B 61 ASN : amide:sc= -0.654 X(o=-1.2,f=-0.93!) USER MOD Set 4.2: B 96 LYS NZ :NH3+ -147:sc= -0.562 (180deg=0) USER MOD Set 5.1: B 35 LYS NZ :NH3+ 148:sc=-0.00406 (180deg=0) USER MOD Set 5.2: B 59 MET CE :methyl 163:sc= -0.57 (180deg=-1.21) USER MOD Set 6.1: B 30 ASN : amide:sc= 0.174 K(o=0.15,f=-3.2!) USER MOD Set 6.2: B 31 LYS NZ :NH3+ -163:sc= -0.0244 (180deg=-0.426) USER MOD Set 6.3: B 32 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 85 MET CE :methyl 176:sc= 0 (180deg=-0.0153) USER MOD Set 7.2: A 86 CYS SG : rot 180:sc= -0.384 USER MOD Set 8.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 84 MET CE :methyl -149:sc= -0.871 (180deg=-2.57!) USER MOD Set 9.1: A 61 ASN : amide:sc= -0.503 X(o=-0.88,f=-0.9!) USER MOD Set 9.2: A 96 LYS NZ :NH3+ -147:sc= -0.373 (180deg=0) USER MOD Set10.1: A 35 LYS NZ :NH3+ 146:sc= 0 (180deg=0) USER MOD Set10.2: A 59 MET CE :methyl 166:sc= -0.547 (180deg=-1.26) USER MOD Set11.1: A 30 ASN : amide:sc= 0.164 K(o=0.13,f=-3.4!) USER MOD Set11.2: A 31 LYS NZ :NH3+ -162:sc= -0.0302 (180deg=-0.506) USER MOD Set11.3: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 3 CYS SG : rot 134:sc= -0.93! USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.103) USER MOD Single : A 12 MET CE :methyl 161:sc= -0.0135 (180deg=-0.624) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 170:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.252 K(o=-0.25,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0363) USER MOD Single : A 19 TYR OH : rot 130:sc= -1.82 USER MOD Single : A 20 SER OG : rot 58:sc= 1.2 USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= -1.04 (180deg=-3.06!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0129 (180deg=-0.261) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -97:sc= 0.99 USER MOD Single : A 65 ASN : amide:sc= -0.156 K(o=-0.16,f=-3.7!) USER MOD Single : A 68 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.69) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -44:sc= -1.65 USER MOD Single : A 87 ASN : amide:sc= -6.48! C(o=-6.5!,f=-7.7!) USER MOD Single : B 3 CYS SG : rot 128:sc= -0.519! USER MOD Single : B 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.088) USER MOD Single : B 12 MET CE :methyl 162:sc= -0.0122 (180deg=-0.537) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 170:sc= 0 USER MOD Single : B 17 HIS : no HE2:sc= -0.404 K(o=-0.4,f=-1.6) USER MOD Single : B 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0311) USER MOD Single : B 19 TYR OH : rot 130:sc= -1.7 USER MOD Single : B 20 SER OG : rot 56:sc= 1.12 USER MOD Single : B 22 LYS NZ :NH3+ -119:sc= -0.67 (180deg=-2.23!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ -161:sc= -0.0236 (180deg=-0.385) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 64 SER OG : rot -82:sc= 0.979 USER MOD Single : B 65 ASN : amide:sc= -0.22 K(o=-0.22,f=-4!) USER MOD Single : B 68 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.82) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.0217 F(o=-1.5!,f=-0.022) USER MOD Single : B 75 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 CYS SG : rot -46:sc= -1.79 USER MOD Single : B 87 ASN : amide:sc= -6.21! C(o=-6.2!,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 75.056 4.025 -20.333 1.00 0.00 N ATOM 21 CA ALA A 2 76.419 3.835 -19.759 1.00 0.00 C ATOM 22 C ALA A 2 76.299 3.599 -18.252 1.00 0.00 C ATOM 23 O ALA A 2 75.661 4.356 -17.546 1.00 0.00 O ATOM 24 CB ALA A 2 77.259 5.089 -20.008 1.00 0.00 C ATOM 0 HA ALA A 2 76.898 2.978 -20.232 1.00 0.00 H new ATOM 0 HB1 ALA A 2 78.255 4.949 -19.588 1.00 0.00 H new ATOM 0 HB2 ALA A 2 77.339 5.266 -21.081 1.00 0.00 H new ATOM 0 HB3 ALA A 2 76.782 5.946 -19.533 1.00 0.00 H new ATOM 30 N CYS A 3 76.906 2.554 -17.753 1.00 0.00 N ATOM 31 CA CYS A 3 76.836 2.263 -16.287 1.00 0.00 C ATOM 32 C CYS A 3 78.202 1.759 -15.806 1.00 0.00 C ATOM 33 O CYS A 3 78.382 0.577 -15.588 1.00 0.00 O ATOM 34 CB CYS A 3 75.782 1.182 -16.035 1.00 0.00 C ATOM 35 SG CYS A 3 75.625 0.905 -14.254 1.00 0.00 S ATOM 0 H CYS A 3 77.450 1.886 -18.299 1.00 0.00 H new ATOM 0 HA CYS A 3 76.567 3.170 -15.746 1.00 0.00 H new ATOM 0 HB2 CYS A 3 74.823 1.488 -16.453 1.00 0.00 H new ATOM 0 HB3 CYS A 3 76.067 0.256 -16.535 1.00 0.00 H new ATOM 0 HG CYS A 3 74.367 0.877 -13.928 1.00 0.00 H new ATOM 41 N PRO A 4 79.165 2.639 -15.647 1.00 0.00 N ATOM 42 CA PRO A 4 80.520 2.224 -15.189 1.00 0.00 C ATOM 43 C PRO A 4 80.538 1.846 -13.701 1.00 0.00 C ATOM 44 O PRO A 4 81.429 1.160 -13.238 1.00 0.00 O ATOM 45 CB PRO A 4 81.368 3.481 -15.472 1.00 0.00 C ATOM 46 CG PRO A 4 80.415 4.644 -15.824 1.00 0.00 C ATOM 47 CD PRO A 4 78.977 4.095 -15.908 1.00 0.00 C ATOM 0 HA PRO A 4 80.887 1.330 -15.693 1.00 0.00 H new ATOM 0 HB2 PRO A 4 81.971 3.736 -14.600 1.00 0.00 H new ATOM 0 HB3 PRO A 4 82.059 3.295 -16.294 1.00 0.00 H new ATOM 0 HG2 PRO A 4 80.477 5.426 -15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 4 80.704 5.095 -16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 4 78.323 4.558 -15.169 1.00 0.00 H new ATOM 0 HD3 PRO A 4 78.531 4.277 -16.886 1.00 0.00 H new ATOM 55 N LEU A 5 79.564 2.286 -12.953 1.00 0.00 N ATOM 56 CA LEU A 5 79.533 1.947 -11.504 1.00 0.00 C ATOM 57 C LEU A 5 79.476 0.427 -11.369 1.00 0.00 C ATOM 58 O LEU A 5 80.039 -0.156 -10.464 1.00 0.00 O ATOM 59 CB LEU A 5 78.299 2.573 -10.840 1.00 0.00 C ATOM 60 CG LEU A 5 78.263 2.225 -9.340 1.00 0.00 C ATOM 61 CD1 LEU A 5 79.496 2.813 -8.631 1.00 0.00 C ATOM 62 CD2 LEU A 5 76.988 2.809 -8.719 1.00 0.00 C ATOM 0 H LEU A 5 78.791 2.864 -13.282 1.00 0.00 H new ATOM 0 HA LEU A 5 80.424 2.338 -11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 5 78.318 3.655 -10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.393 2.210 -11.326 1.00 0.00 H new ATOM 0 HG LEU A 5 78.270 1.142 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.461 2.561 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.402 2.398 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 5 79.500 3.897 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 5 76.956 2.566 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.985 3.892 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.115 2.385 -9.214 1.00 0.00 H new ATOM 74 N GLU A 6 78.780 -0.211 -12.264 1.00 0.00 N ATOM 75 CA GLU A 6 78.654 -1.691 -12.210 1.00 0.00 C ATOM 76 C GLU A 6 80.043 -2.329 -12.305 1.00 0.00 C ATOM 77 O GLU A 6 80.384 -3.218 -11.552 1.00 0.00 O ATOM 78 CB GLU A 6 77.810 -2.138 -13.402 1.00 0.00 C ATOM 79 CG GLU A 6 77.510 -3.633 -13.301 1.00 0.00 C ATOM 80 CD GLU A 6 76.662 -4.060 -14.500 1.00 0.00 C ATOM 81 OE1 GLU A 6 76.225 -3.188 -15.233 1.00 0.00 O ATOM 82 OE2 GLU A 6 76.458 -5.252 -14.662 1.00 0.00 O ATOM 0 H GLU A 6 78.288 0.234 -13.039 1.00 0.00 H new ATOM 0 HA GLU A 6 78.186 -1.996 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 6 76.878 -1.573 -13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 6 78.339 -1.927 -14.332 1.00 0.00 H new ATOM 0 HG2 GLU A 6 78.440 -4.201 -13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 6 76.982 -3.848 -12.372 1.00 0.00 H new ATOM 89 N LYS A 7 80.848 -1.874 -13.222 1.00 0.00 N ATOM 90 CA LYS A 7 82.217 -2.440 -13.368 1.00 0.00 C ATOM 91 C LYS A 7 83.035 -1.998 -12.173 1.00 0.00 C ATOM 92 O LYS A 7 83.689 -2.782 -11.520 1.00 0.00 O ATOM 93 CB LYS A 7 82.864 -1.889 -14.639 1.00 0.00 C ATOM 94 CG LYS A 7 81.879 -1.999 -15.799 1.00 0.00 C ATOM 95 CD LYS A 7 82.498 -1.395 -17.069 1.00 0.00 C ATOM 96 CE LYS A 7 81.387 -0.980 -18.034 1.00 0.00 C ATOM 97 NZ LYS A 7 80.643 -2.189 -18.487 1.00 0.00 N ATOM 0 H LYS A 7 80.616 -1.130 -13.880 1.00 0.00 H new ATOM 0 HA LYS A 7 82.171 -3.527 -13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 7 83.154 -0.849 -14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.774 -2.444 -14.867 1.00 0.00 H new ATOM 0 HG2 LYS A 7 81.621 -3.044 -15.971 1.00 0.00 H new ATOM 0 HG3 LYS A 7 80.953 -1.479 -15.552 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.111 -0.531 -16.811 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.155 -2.122 -17.546 1.00 0.00 H new ATOM 0 HE2 LYS A 7 80.706 -0.284 -17.544 1.00 0.00 H new ATOM 0 HE3 LYS A 7 81.812 -0.459 -18.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 79.979 -1.925 -19.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 81.316 -2.896 -18.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 80.114 -2.591 -17.687 1.00 0.00 H new ATOM 111 N ALA A 8 82.982 -0.736 -11.876 1.00 0.00 N ATOM 112 CA ALA A 8 83.744 -0.230 -10.713 1.00 0.00 C ATOM 113 C ALA A 8 83.250 -0.992 -9.493 1.00 0.00 C ATOM 114 O ALA A 8 84.017 -1.400 -8.646 1.00 0.00 O ATOM 115 CB ALA A 8 83.519 1.276 -10.550 1.00 0.00 C ATOM 0 H ALA A 8 82.445 -0.035 -12.387 1.00 0.00 H new ATOM 0 HA ALA A 8 84.815 -0.382 -10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.084 1.638 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 8 83.854 1.793 -11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.458 1.471 -10.394 1.00 0.00 H new ATOM 121 N LEU A 9 81.977 -1.240 -9.423 1.00 0.00 N ATOM 122 CA LEU A 9 81.461 -2.038 -8.292 1.00 0.00 C ATOM 123 C LEU A 9 82.163 -3.386 -8.370 1.00 0.00 C ATOM 124 O LEU A 9 82.581 -3.943 -7.375 1.00 0.00 O ATOM 125 CB LEU A 9 79.942 -2.209 -8.415 1.00 0.00 C ATOM 126 CG LEU A 9 79.399 -3.076 -7.269 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.613 -2.374 -5.919 1.00 0.00 C ATOM 128 CD2 LEU A 9 77.902 -3.308 -7.494 1.00 0.00 C ATOM 0 H LEU A 9 81.278 -0.926 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 9 81.653 -1.551 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.459 -1.232 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.699 -2.669 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 9 79.930 -4.028 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.223 -3.001 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.678 -2.205 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 9 79.090 -1.418 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 9 77.504 -3.923 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 9 77.384 -2.349 -7.510 1.00 0.00 H new ATOM 0 HD23 LEU A 9 77.752 -3.817 -8.446 1.00 0.00 H new ATOM 140 N ASP A 10 82.327 -3.900 -9.564 1.00 0.00 N ATOM 141 CA ASP A 10 83.041 -5.196 -9.705 1.00 0.00 C ATOM 142 C ASP A 10 84.519 -4.983 -9.384 1.00 0.00 C ATOM 143 O ASP A 10 85.181 -5.865 -8.878 1.00 0.00 O ATOM 144 CB ASP A 10 82.898 -5.733 -11.132 1.00 0.00 C ATOM 145 CG ASP A 10 83.510 -7.135 -11.206 1.00 0.00 C ATOM 146 OD1 ASP A 10 84.197 -7.509 -10.269 1.00 0.00 O ATOM 147 OD2 ASP A 10 83.283 -7.808 -12.197 1.00 0.00 O ATOM 0 H ASP A 10 82.000 -3.481 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 10 82.608 -5.922 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 10 81.846 -5.767 -11.417 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.398 -5.067 -11.836 1.00 0.00 H new ATOM 152 N VAL A 11 85.053 -3.824 -9.677 1.00 0.00 N ATOM 153 CA VAL A 11 86.495 -3.598 -9.378 1.00 0.00 C ATOM 154 C VAL A 11 86.728 -3.768 -7.874 1.00 0.00 C ATOM 155 O VAL A 11 87.706 -4.354 -7.457 1.00 0.00 O ATOM 156 CB VAL A 11 86.911 -2.183 -9.805 1.00 0.00 C ATOM 157 CG1 VAL A 11 88.323 -1.884 -9.300 1.00 0.00 C ATOM 158 CG2 VAL A 11 86.889 -2.080 -11.330 1.00 0.00 C ATOM 0 H VAL A 11 84.561 -3.038 -10.103 1.00 0.00 H new ATOM 0 HA VAL A 11 87.094 -4.322 -9.931 1.00 0.00 H new ATOM 0 HB VAL A 11 86.213 -1.462 -9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.613 -0.879 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 11 88.343 -1.952 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 11 89.021 -2.607 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 11 87.185 -1.075 -11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.584 -2.805 -11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 11 85.883 -2.287 -11.694 1.00 0.00 H new ATOM 168 N MET A 12 85.842 -3.271 -7.050 1.00 0.00 N ATOM 169 CA MET A 12 86.049 -3.436 -5.582 1.00 0.00 C ATOM 170 C MET A 12 86.065 -4.927 -5.249 1.00 0.00 C ATOM 171 O MET A 12 86.844 -5.387 -4.441 1.00 0.00 O ATOM 172 CB MET A 12 84.928 -2.740 -4.805 1.00 0.00 C ATOM 173 CG MET A 12 85.182 -2.899 -3.299 1.00 0.00 C ATOM 174 SD MET A 12 84.320 -1.591 -2.396 1.00 0.00 S ATOM 175 CE MET A 12 82.638 -2.029 -2.886 1.00 0.00 C ATOM 0 H MET A 12 84.999 -2.767 -7.324 1.00 0.00 H new ATOM 0 HA MET A 12 86.998 -2.983 -5.297 1.00 0.00 H new ATOM 0 HB2 MET A 12 84.888 -1.683 -5.069 1.00 0.00 H new ATOM 0 HB3 MET A 12 83.963 -3.172 -5.071 1.00 0.00 H new ATOM 0 HG2 MET A 12 84.835 -3.876 -2.963 1.00 0.00 H new ATOM 0 HG3 MET A 12 86.251 -2.852 -3.094 1.00 0.00 H new ATOM 0 HE1 MET A 12 81.928 -1.577 -2.193 1.00 0.00 H new ATOM 0 HE2 MET A 12 82.445 -1.662 -3.894 1.00 0.00 H new ATOM 0 HE3 MET A 12 82.524 -3.113 -2.867 1.00 0.00 H new ATOM 185 N VAL A 13 85.209 -5.687 -5.868 1.00 0.00 N ATOM 186 CA VAL A 13 85.175 -7.152 -5.595 1.00 0.00 C ATOM 187 C VAL A 13 86.283 -7.865 -6.383 1.00 0.00 C ATOM 188 O VAL A 13 86.929 -8.763 -5.885 1.00 0.00 O ATOM 189 CB VAL A 13 83.805 -7.702 -5.999 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.765 -9.215 -5.740 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.700 -6.982 -5.185 1.00 0.00 C ATOM 0 H VAL A 13 84.529 -5.358 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 13 85.342 -7.328 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 13 83.632 -7.523 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.790 -9.608 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.541 -9.705 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.936 -9.407 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.724 -7.373 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.861 -7.154 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.737 -5.912 -5.389 1.00 0.00 H new ATOM 201 N SER A 14 86.498 -7.484 -7.616 1.00 0.00 N ATOM 202 CA SER A 14 87.557 -8.160 -8.427 1.00 0.00 C ATOM 203 C SER A 14 88.928 -7.994 -7.759 1.00 0.00 C ATOM 204 O SER A 14 89.698 -8.930 -7.666 1.00 0.00 O ATOM 205 CB SER A 14 87.594 -7.550 -9.829 1.00 0.00 C ATOM 206 OG SER A 14 88.446 -8.331 -10.658 1.00 0.00 O ATOM 0 H SER A 14 85.991 -6.740 -8.094 1.00 0.00 H new ATOM 0 HA SER A 14 87.325 -9.223 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 14 86.589 -7.516 -10.250 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.955 -6.523 -9.782 1.00 0.00 H new ATOM 0 HG SER A 14 88.471 -7.944 -11.558 1.00 0.00 H new ATOM 212 N THR A 15 89.243 -6.816 -7.292 1.00 0.00 N ATOM 213 CA THR A 15 90.566 -6.607 -6.629 1.00 0.00 C ATOM 214 C THR A 15 90.656 -7.499 -5.386 1.00 0.00 C ATOM 215 O THR A 15 91.682 -8.078 -5.082 1.00 0.00 O ATOM 216 CB THR A 15 90.712 -5.121 -6.251 1.00 0.00 C ATOM 217 OG1 THR A 15 92.090 -4.783 -6.198 1.00 0.00 O ATOM 218 CG2 THR A 15 90.059 -4.829 -4.894 1.00 0.00 C ATOM 0 H THR A 15 88.645 -5.991 -7.340 1.00 0.00 H new ATOM 0 HA THR A 15 91.376 -6.876 -7.307 1.00 0.00 H new ATOM 0 HB THR A 15 90.208 -4.521 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 15 92.186 -3.811 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 15 90.178 -3.773 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.998 -5.074 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.537 -5.433 -4.123 1.00 0.00 H new ATOM 226 N PHE A 16 89.576 -7.600 -4.673 1.00 0.00 N ATOM 227 CA PHE A 16 89.543 -8.433 -3.440 1.00 0.00 C ATOM 228 C PHE A 16 89.903 -9.874 -3.811 1.00 0.00 C ATOM 229 O PHE A 16 90.623 -10.550 -3.102 1.00 0.00 O ATOM 230 CB PHE A 16 88.121 -8.377 -2.873 1.00 0.00 C ATOM 231 CG PHE A 16 88.025 -9.150 -1.578 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.941 -10.548 -1.598 1.00 0.00 C ATOM 233 CD2 PHE A 16 87.994 -8.466 -0.355 1.00 0.00 C ATOM 234 CE1 PHE A 16 87.829 -11.260 -0.398 1.00 0.00 C ATOM 235 CE2 PHE A 16 87.883 -9.179 0.843 1.00 0.00 C ATOM 236 CZ PHE A 16 87.800 -10.576 0.823 1.00 0.00 C ATOM 0 H PHE A 16 88.697 -7.133 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 16 90.253 -8.068 -2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 16 87.833 -7.339 -2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 16 87.419 -8.788 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.963 -11.077 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 16 88.056 -7.388 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 16 87.765 -12.338 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 16 87.861 -8.651 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 16 87.714 -11.126 1.749 1.00 0.00 H new ATOM 246 N HIS A 17 89.412 -10.343 -4.924 1.00 0.00 N ATOM 247 CA HIS A 17 89.725 -11.732 -5.367 1.00 0.00 C ATOM 248 C HIS A 17 91.237 -11.889 -5.551 1.00 0.00 C ATOM 249 O HIS A 17 91.792 -12.935 -5.277 1.00 0.00 O ATOM 250 CB HIS A 17 89.008 -12.029 -6.690 1.00 0.00 C ATOM 251 CG HIS A 17 87.562 -12.355 -6.424 1.00 0.00 C ATOM 252 ND1 HIS A 17 86.765 -11.568 -5.603 1.00 0.00 N ATOM 253 CD2 HIS A 17 86.759 -13.379 -6.860 1.00 0.00 C ATOM 254 CE1 HIS A 17 85.540 -12.129 -5.572 1.00 0.00 C ATOM 255 NE2 HIS A 17 85.486 -13.232 -6.320 1.00 0.00 N ATOM 0 H HIS A 17 88.802 -9.819 -5.552 1.00 0.00 H new ATOM 0 HA HIS A 17 89.382 -12.435 -4.608 1.00 0.00 H new ATOM 0 HB2 HIS A 17 89.080 -11.168 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS A 17 89.491 -12.864 -7.197 1.00 0.00 H new ATOM 0 HD1 HIS A 17 87.054 -10.721 -5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 17 87.068 -14.176 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 17 84.706 -11.734 -5.011 1.00 0.00 H new ATOM 264 N LYS A 18 91.915 -10.874 -6.020 1.00 0.00 N ATOM 265 CA LYS A 18 93.384 -11.019 -6.212 1.00 0.00 C ATOM 266 C LYS A 18 93.985 -11.404 -4.865 1.00 0.00 C ATOM 267 O LYS A 18 94.838 -12.264 -4.776 1.00 0.00 O ATOM 268 CB LYS A 18 93.986 -9.700 -6.702 1.00 0.00 C ATOM 269 CG LYS A 18 95.452 -9.923 -7.081 1.00 0.00 C ATOM 270 CD LYS A 18 96.056 -8.617 -7.600 1.00 0.00 C ATOM 271 CE LYS A 18 97.500 -8.866 -8.040 1.00 0.00 C ATOM 272 NZ LYS A 18 98.378 -8.984 -6.840 1.00 0.00 N ATOM 0 H LYS A 18 91.522 -9.968 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 18 93.599 -11.782 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 18 93.428 -9.330 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.911 -8.941 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 18 96.012 -10.275 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 18 95.526 -10.698 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 18 95.469 -8.239 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 18 96.028 -7.855 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 18 97.557 -9.777 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 18 97.843 -8.049 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 99.372 -9.034 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 98.243 -8.154 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 98.132 -9.846 -6.313 1.00 0.00 H new ATOM 286 N TYR A 19 93.506 -10.812 -3.809 1.00 0.00 N ATOM 287 CA TYR A 19 94.006 -11.192 -2.464 1.00 0.00 C ATOM 288 C TYR A 19 93.497 -12.592 -2.157 1.00 0.00 C ATOM 289 O TYR A 19 94.150 -13.376 -1.502 1.00 0.00 O ATOM 290 CB TYR A 19 93.482 -10.206 -1.418 1.00 0.00 C ATOM 291 CG TYR A 19 94.166 -8.873 -1.600 1.00 0.00 C ATOM 292 CD1 TYR A 19 95.374 -8.616 -0.936 1.00 0.00 C ATOM 293 CD2 TYR A 19 93.603 -7.897 -2.431 1.00 0.00 C ATOM 294 CE1 TYR A 19 96.017 -7.384 -1.101 1.00 0.00 C ATOM 295 CE2 TYR A 19 94.247 -6.665 -2.597 1.00 0.00 C ATOM 296 CZ TYR A 19 95.453 -6.408 -1.932 1.00 0.00 C ATOM 297 OH TYR A 19 96.087 -5.196 -2.098 1.00 0.00 O ATOM 0 H TYR A 19 92.792 -10.084 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 19 95.096 -11.170 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.403 -10.090 -1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 19 93.669 -10.589 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 19 95.809 -9.370 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 19 92.673 -8.094 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 19 96.947 -7.186 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 19 93.814 -5.912 -3.238 1.00 0.00 H new ATOM 0 HH TYR A 19 96.163 -4.995 -3.054 1.00 0.00 H new ATOM 307 N SER A 20 92.322 -12.916 -2.623 1.00 0.00 N ATOM 308 CA SER A 20 91.764 -14.266 -2.350 1.00 0.00 C ATOM 309 C SER A 20 91.848 -14.534 -0.851 1.00 0.00 C ATOM 310 O SER A 20 91.653 -15.639 -0.390 1.00 0.00 O ATOM 311 CB SER A 20 92.576 -15.319 -3.104 1.00 0.00 C ATOM 312 OG SER A 20 92.275 -15.245 -4.491 1.00 0.00 O ATOM 0 H SER A 20 91.726 -12.303 -3.180 1.00 0.00 H new ATOM 0 HA SER A 20 90.726 -14.313 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 20 93.642 -15.156 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 20 92.344 -16.314 -2.723 1.00 0.00 H new ATOM 0 HG SER A 20 92.468 -14.342 -4.820 1.00 0.00 H new ATOM 318 N GLY A 21 92.151 -13.523 -0.085 1.00 0.00 N ATOM 319 CA GLY A 21 92.258 -13.717 1.386 1.00 0.00 C ATOM 320 C GLY A 21 93.487 -14.573 1.689 1.00 0.00 C ATOM 321 O GLY A 21 93.380 -15.699 2.132 1.00 0.00 O ATOM 0 H GLY A 21 92.329 -12.574 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 21 92.338 -12.753 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 21 91.359 -14.201 1.768 1.00 0.00 H new ATOM 325 N LYS A 22 94.654 -14.049 1.446 1.00 0.00 N ATOM 326 CA LYS A 22 95.893 -14.829 1.708 1.00 0.00 C ATOM 327 C LYS A 22 95.944 -15.191 3.192 1.00 0.00 C ATOM 328 O LYS A 22 96.316 -16.289 3.560 1.00 0.00 O ATOM 329 CB LYS A 22 97.099 -13.962 1.341 1.00 0.00 C ATOM 330 CG LYS A 22 97.010 -13.600 -0.143 1.00 0.00 C ATOM 331 CD LYS A 22 98.201 -12.729 -0.553 1.00 0.00 C ATOM 332 CE LYS A 22 98.193 -11.415 0.245 1.00 0.00 C ATOM 333 NZ LYS A 22 98.970 -11.599 1.505 1.00 0.00 N ATOM 0 H LYS A 22 94.804 -13.110 1.076 1.00 0.00 H new ATOM 0 HA LYS A 22 95.905 -15.743 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 22 97.114 -13.058 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 22 98.026 -14.499 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 22 96.992 -14.509 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 22 96.079 -13.069 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 22 99.133 -13.266 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 98.155 -12.515 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 22 98.628 -10.612 -0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 22 97.169 -11.122 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 98.352 -11.424 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 99.335 -12.572 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 99.766 -10.930 1.523 1.00 0.00 H new ATOM 347 N GLU A 23 95.559 -14.275 4.047 1.00 0.00 N ATOM 348 CA GLU A 23 95.563 -14.547 5.519 1.00 0.00 C ATOM 349 C GLU A 23 94.124 -14.643 6.020 1.00 0.00 C ATOM 350 O GLU A 23 93.253 -13.905 5.601 1.00 0.00 O ATOM 351 CB GLU A 23 96.278 -13.415 6.256 1.00 0.00 C ATOM 352 CG GLU A 23 96.343 -13.741 7.753 1.00 0.00 C ATOM 353 CD GLU A 23 97.085 -12.627 8.492 1.00 0.00 C ATOM 354 OE1 GLU A 23 97.566 -11.721 7.831 1.00 0.00 O ATOM 355 OE2 GLU A 23 97.158 -12.697 9.708 1.00 0.00 O ATOM 0 H GLU A 23 95.239 -13.342 3.786 1.00 0.00 H new ATOM 0 HA GLU A 23 96.084 -15.485 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 23 97.284 -13.285 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.750 -12.474 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.336 -13.849 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.851 -14.693 7.906 1.00 0.00 H new ATOM 362 N GLY A 24 93.874 -15.544 6.924 1.00 0.00 N ATOM 363 CA GLY A 24 92.497 -15.696 7.474 1.00 0.00 C ATOM 364 C GLY A 24 91.631 -16.507 6.509 1.00 0.00 C ATOM 365 O GLY A 24 92.118 -17.105 5.568 1.00 0.00 O ATOM 0 H GLY A 24 94.566 -16.186 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 24 92.537 -16.193 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 24 92.052 -14.714 7.637 1.00 0.00 H new ATOM 369 N ASP A 25 90.347 -16.533 6.744 1.00 0.00 N ATOM 370 CA ASP A 25 89.428 -17.301 5.858 1.00 0.00 C ATOM 371 C ASP A 25 89.257 -16.582 4.525 1.00 0.00 C ATOM 372 O ASP A 25 89.341 -15.374 4.433 1.00 0.00 O ATOM 373 CB ASP A 25 88.076 -17.458 6.549 1.00 0.00 C ATOM 374 CG ASP A 25 88.225 -18.417 7.733 1.00 0.00 C ATOM 375 OD1 ASP A 25 89.211 -19.135 7.768 1.00 0.00 O ATOM 376 OD2 ASP A 25 87.355 -18.411 8.588 1.00 0.00 O ATOM 0 H ASP A 25 89.892 -16.050 7.519 1.00 0.00 H new ATOM 0 HA ASP A 25 89.853 -18.286 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 25 87.715 -16.489 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 25 87.337 -17.841 5.846 1.00 0.00 H new ATOM 381 N LYS A 26 89.022 -17.334 3.490 1.00 0.00 N ATOM 382 CA LYS A 26 88.844 -16.738 2.139 1.00 0.00 C ATOM 383 C LYS A 26 87.554 -15.928 2.113 1.00 0.00 C ATOM 384 O LYS A 26 87.289 -15.186 1.189 1.00 0.00 O ATOM 385 CB LYS A 26 88.775 -17.881 1.116 1.00 0.00 C ATOM 386 CG LYS A 26 88.732 -17.329 -0.316 1.00 0.00 C ATOM 387 CD LYS A 26 88.666 -18.489 -1.324 1.00 0.00 C ATOM 388 CE LYS A 26 90.011 -19.223 -1.386 1.00 0.00 C ATOM 389 NZ LYS A 26 90.072 -20.040 -2.630 1.00 0.00 N ATOM 0 H LYS A 26 88.945 -18.351 3.523 1.00 0.00 H new ATOM 0 HA LYS A 26 89.676 -16.077 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 26 89.641 -18.533 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 87.890 -18.489 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 26 87.865 -16.680 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 26 89.616 -16.720 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 26 87.878 -19.185 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 26 88.408 -18.106 -2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 26 90.831 -18.505 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 26 90.129 -19.863 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 90.984 -20.539 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 89.298 -20.734 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 89.977 -19.419 -3.458 1.00 0.00 H new ATOM 403 N PHE A 27 86.743 -16.060 3.124 1.00 0.00 N ATOM 404 CA PHE A 27 85.458 -15.290 3.141 1.00 0.00 C ATOM 405 C PHE A 27 85.659 -13.926 3.803 1.00 0.00 C ATOM 406 O PHE A 27 84.750 -13.120 3.863 1.00 0.00 O ATOM 407 CB PHE A 27 84.403 -16.071 3.926 1.00 0.00 C ATOM 408 CG PHE A 27 83.996 -17.297 3.147 1.00 0.00 C ATOM 409 CD1 PHE A 27 82.948 -17.218 2.221 1.00 0.00 C ATOM 410 CD2 PHE A 27 84.659 -18.511 3.354 1.00 0.00 C ATOM 411 CE1 PHE A 27 82.566 -18.355 1.501 1.00 0.00 C ATOM 412 CE2 PHE A 27 84.276 -19.649 2.633 1.00 0.00 C ATOM 413 CZ PHE A 27 83.229 -19.570 1.706 1.00 0.00 C ATOM 0 H PHE A 27 86.906 -16.659 3.933 1.00 0.00 H new ATOM 0 HA PHE A 27 85.129 -15.144 2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 27 84.800 -16.361 4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 27 83.533 -15.441 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 27 82.436 -16.281 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 27 85.466 -18.571 4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 27 81.759 -18.295 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 27 84.788 -20.587 2.792 1.00 0.00 H new ATOM 0 HZ PHE A 27 82.933 -20.447 1.149 1.00 0.00 H new ATOM 423 N LYS A 28 86.829 -13.654 4.308 1.00 0.00 N ATOM 424 CA LYS A 28 87.058 -12.333 4.973 1.00 0.00 C ATOM 425 C LYS A 28 88.561 -12.084 5.131 1.00 0.00 C ATOM 426 O LYS A 28 89.362 -12.967 4.899 1.00 0.00 O ATOM 427 CB LYS A 28 86.353 -12.319 6.335 1.00 0.00 C ATOM 428 CG LYS A 28 86.759 -13.543 7.166 1.00 0.00 C ATOM 429 CD LYS A 28 85.724 -13.767 8.274 1.00 0.00 C ATOM 430 CE LYS A 28 86.268 -14.755 9.310 1.00 0.00 C ATOM 431 NZ LYS A 28 85.352 -14.785 10.487 1.00 0.00 N ATOM 0 H LYS A 28 87.634 -14.281 4.292 1.00 0.00 H new ATOM 0 HA LYS A 28 86.644 -11.534 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 28 86.608 -11.406 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 85.273 -12.312 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 28 86.823 -14.425 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 28 87.747 -13.391 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 28 85.484 -12.819 8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 28 84.798 -14.150 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 28 86.351 -15.750 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 28 87.270 -14.459 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 85.717 -15.455 11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 85.295 -13.835 10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 84.404 -15.086 10.182 1.00 0.00 H new ATOM 445 N LEU A 29 88.958 -10.888 5.527 1.00 0.00 N ATOM 446 CA LEU A 29 90.418 -10.591 5.700 1.00 0.00 C ATOM 447 C LEU A 29 90.690 -10.318 7.173 1.00 0.00 C ATOM 448 O LEU A 29 89.785 -10.141 7.956 1.00 0.00 O ATOM 449 CB LEU A 29 90.824 -9.337 4.912 1.00 0.00 C ATOM 450 CG LEU A 29 90.255 -9.359 3.496 1.00 0.00 C ATOM 451 CD1 LEU A 29 90.552 -8.008 2.837 1.00 0.00 C ATOM 452 CD2 LEU A 29 90.921 -10.478 2.689 1.00 0.00 C ATOM 0 H LEU A 29 88.332 -10.110 5.736 1.00 0.00 H new ATOM 0 HA LEU A 29 90.987 -11.447 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 90.471 -8.448 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 29 91.911 -9.270 4.868 1.00 0.00 H new ATOM 0 HG LEU A 29 89.180 -9.537 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 29 90.153 -8.002 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 90.085 -7.211 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 29 91.630 -7.848 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 29 90.512 -10.491 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 91.996 -10.303 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 29 90.729 -11.437 3.170 1.00 0.00 H new ATOM 464 N ASN A 30 91.935 -10.256 7.549 1.00 0.00 N ATOM 465 CA ASN A 30 92.280 -9.965 8.966 1.00 0.00 C ATOM 466 C ASN A 30 92.596 -8.473 9.095 1.00 0.00 C ATOM 467 O ASN A 30 93.214 -7.886 8.236 1.00 0.00 O ATOM 468 CB ASN A 30 93.509 -10.776 9.370 1.00 0.00 C ATOM 469 CG ASN A 30 93.705 -10.687 10.883 1.00 0.00 C ATOM 470 OD1 ASN A 30 94.423 -9.834 11.366 1.00 0.00 O ATOM 471 ND2 ASN A 30 93.090 -11.540 11.657 1.00 0.00 N ATOM 0 H ASN A 30 92.734 -10.396 6.931 1.00 0.00 H new ATOM 0 HA ASN A 30 91.444 -10.231 9.613 1.00 0.00 H new ATOM 0 HB2 ASN A 30 93.386 -11.816 9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 30 94.392 -10.398 8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 30 93.212 -11.491 12.668 1.00 0.00 H new ATOM 0 HD22 ASN A 30 92.488 -12.256 11.250 1.00 0.00 H new ATOM 478 N LYS A 31 92.171 -7.867 10.159 1.00 0.00 N ATOM 479 CA LYS A 31 92.426 -6.412 10.376 1.00 0.00 C ATOM 480 C LYS A 31 93.848 -6.046 9.956 1.00 0.00 C ATOM 481 O LYS A 31 94.107 -4.960 9.501 1.00 0.00 O ATOM 482 CB LYS A 31 92.234 -6.080 11.859 1.00 0.00 C ATOM 483 CG LYS A 31 93.022 -7.068 12.729 1.00 0.00 C ATOM 484 CD LYS A 31 92.670 -6.846 14.202 1.00 0.00 C ATOM 485 CE LYS A 31 93.589 -7.693 15.082 1.00 0.00 C ATOM 486 NZ LYS A 31 93.476 -9.124 14.679 1.00 0.00 N ATOM 0 H LYS A 31 91.647 -8.322 10.906 1.00 0.00 H new ATOM 0 HA LYS A 31 91.724 -5.839 9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 31 92.569 -5.062 12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 31 91.175 -6.123 12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 31 92.787 -8.092 12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 31 94.092 -6.931 12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 31 92.776 -5.792 14.457 1.00 0.00 H new ATOM 0 HD3 LYS A 31 91.629 -7.114 14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 31 94.620 -7.355 14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 31 93.316 -7.576 16.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 93.843 -9.729 15.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 92.478 -9.357 14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 94.028 -9.285 13.813 1.00 0.00 H new ATOM 500 N SER A 32 94.773 -6.937 10.073 1.00 0.00 N ATOM 501 CA SER A 32 96.148 -6.590 9.635 1.00 0.00 C ATOM 502 C SER A 32 96.077 -6.248 8.158 1.00 0.00 C ATOM 503 O SER A 32 96.695 -5.316 7.683 1.00 0.00 O ATOM 504 CB SER A 32 97.094 -7.758 9.826 1.00 0.00 C ATOM 505 OG SER A 32 97.260 -8.015 11.215 1.00 0.00 O ATOM 0 H SER A 32 94.648 -7.878 10.446 1.00 0.00 H new ATOM 0 HA SER A 32 96.522 -5.754 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 32 96.700 -8.643 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 32 98.058 -7.536 9.369 1.00 0.00 H new ATOM 0 HG SER A 32 97.871 -8.772 11.337 1.00 0.00 H new ATOM 511 N GLU A 33 95.294 -6.997 7.436 1.00 0.00 N ATOM 512 CA GLU A 33 95.139 -6.724 5.990 1.00 0.00 C ATOM 513 C GLU A 33 94.578 -5.339 5.847 1.00 0.00 C ATOM 514 O GLU A 33 94.766 -4.693 4.843 1.00 0.00 O ATOM 515 CB GLU A 33 94.197 -7.741 5.345 1.00 0.00 C ATOM 516 CG GLU A 33 94.877 -9.110 5.300 1.00 0.00 C ATOM 517 CD GLU A 33 96.062 -9.057 4.333 1.00 0.00 C ATOM 518 OE1 GLU A 33 95.964 -8.348 3.347 1.00 0.00 O ATOM 519 OE2 GLU A 33 97.048 -9.726 4.597 1.00 0.00 O ATOM 0 H GLU A 33 94.755 -7.788 7.790 1.00 0.00 H new ATOM 0 HA GLU A 33 96.104 -6.804 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.268 -7.803 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 33 93.934 -7.421 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 33 95.219 -9.392 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 33 94.166 -9.871 4.980 1.00 0.00 H new ATOM 526 N LEU A 34 93.907 -4.848 6.843 1.00 0.00 N ATOM 527 CA LEU A 34 93.388 -3.473 6.694 1.00 0.00 C ATOM 528 C LEU A 34 94.590 -2.565 6.477 1.00 0.00 C ATOM 529 O LEU A 34 94.557 -1.685 5.651 1.00 0.00 O ATOM 530 CB LEU A 34 92.566 -3.046 7.936 1.00 0.00 C ATOM 531 CG LEU A 34 92.016 -1.601 7.818 1.00 0.00 C ATOM 532 CD1 LEU A 34 93.114 -0.551 8.120 1.00 0.00 C ATOM 533 CD2 LEU A 34 91.444 -1.362 6.418 1.00 0.00 C ATOM 0 H LEU A 34 93.701 -5.320 7.723 1.00 0.00 H new ATOM 0 HA LEU A 34 92.707 -3.408 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.734 -3.737 8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.192 -3.121 8.825 1.00 0.00 H new ATOM 0 HG LEU A 34 91.223 -1.488 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.694 0.451 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 34 93.488 -0.697 9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 34 93.934 -0.667 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 34 91.062 -0.344 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.229 -1.505 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 34 90.634 -2.067 6.231 1.00 0.00 H new ATOM 545 N LYS A 35 95.674 -2.795 7.175 1.00 0.00 N ATOM 546 CA LYS A 35 96.871 -1.937 6.939 1.00 0.00 C ATOM 547 C LYS A 35 97.531 -2.314 5.609 1.00 0.00 C ATOM 548 O LYS A 35 97.833 -1.467 4.792 1.00 0.00 O ATOM 549 CB LYS A 35 97.883 -2.134 8.072 1.00 0.00 C ATOM 550 CG LYS A 35 99.106 -1.234 7.856 1.00 0.00 C ATOM 551 CD LYS A 35 100.103 -1.469 8.989 1.00 0.00 C ATOM 552 CE LYS A 35 101.328 -0.573 8.791 1.00 0.00 C ATOM 553 NZ LYS A 35 102.233 -0.699 9.969 1.00 0.00 N ATOM 0 H LYS A 35 95.780 -3.523 7.882 1.00 0.00 H new ATOM 0 HA LYS A 35 96.554 -0.895 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 35 97.417 -1.902 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 35 98.194 -3.178 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 35 99.570 -1.454 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 35 98.803 -0.187 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 35 99.634 -1.254 9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 35 100.405 -2.516 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 35 101.856 -0.858 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 35 101.017 0.464 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 103.222 -0.613 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 102.018 0.054 10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 102.091 -1.626 10.418 1.00 0.00 H new ATOM 567 N GLU A 36 97.778 -3.577 5.396 1.00 0.00 N ATOM 568 CA GLU A 36 98.442 -4.005 4.130 1.00 0.00 C ATOM 569 C GLU A 36 97.515 -3.796 2.935 1.00 0.00 C ATOM 570 O GLU A 36 97.948 -3.385 1.876 1.00 0.00 O ATOM 571 CB GLU A 36 98.853 -5.479 4.232 1.00 0.00 C ATOM 572 CG GLU A 36 99.460 -5.953 2.906 1.00 0.00 C ATOM 573 CD GLU A 36 99.998 -7.376 3.071 1.00 0.00 C ATOM 574 OE1 GLU A 36 100.024 -7.852 4.194 1.00 0.00 O ATOM 575 OE2 GLU A 36 100.372 -7.966 2.071 1.00 0.00 O ATOM 0 H GLU A 36 97.549 -4.332 6.043 1.00 0.00 H new ATOM 0 HA GLU A 36 99.333 -3.395 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 36 99.576 -5.608 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.985 -6.090 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 36 98.706 -5.927 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 36 100.263 -5.282 2.601 1.00 0.00 H new ATOM 582 N LEU A 37 96.251 -4.077 3.073 1.00 0.00 N ATOM 583 CA LEU A 37 95.343 -3.886 1.917 1.00 0.00 C ATOM 584 C LEU A 37 95.311 -2.406 1.569 1.00 0.00 C ATOM 585 O LEU A 37 95.215 -2.028 0.418 1.00 0.00 O ATOM 586 CB LEU A 37 93.930 -4.371 2.268 1.00 0.00 C ATOM 587 CG LEU A 37 92.984 -4.199 1.068 1.00 0.00 C ATOM 588 CD1 LEU A 37 93.462 -5.054 -0.119 1.00 0.00 C ATOM 589 CD2 LEU A 37 91.576 -4.637 1.480 1.00 0.00 C ATOM 0 H LEU A 37 95.814 -4.426 3.926 1.00 0.00 H new ATOM 0 HA LEU A 37 95.703 -4.463 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 37 93.963 -5.419 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 37 93.549 -3.810 3.121 1.00 0.00 H new ATOM 0 HG LEU A 37 92.977 -3.153 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 37 92.782 -4.921 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 37 94.465 -4.743 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 37 93.478 -6.104 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 90.897 -4.519 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 37 91.595 -5.683 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 37 91.232 -4.021 2.311 1.00 0.00 H new ATOM 601 N LEU A 38 95.362 -1.560 2.558 1.00 0.00 N ATOM 602 CA LEU A 38 95.300 -0.096 2.262 1.00 0.00 C ATOM 603 C LEU A 38 96.526 0.361 1.469 1.00 0.00 C ATOM 604 O LEU A 38 96.402 0.988 0.441 1.00 0.00 O ATOM 605 CB LEU A 38 95.198 0.697 3.588 1.00 0.00 C ATOM 606 CG LEU A 38 93.800 1.336 3.739 1.00 0.00 C ATOM 607 CD1 LEU A 38 93.653 2.504 2.741 1.00 0.00 C ATOM 608 CD2 LEU A 38 92.693 0.275 3.491 1.00 0.00 C ATOM 0 H LEU A 38 95.443 -1.809 3.544 1.00 0.00 H new ATOM 0 HA LEU A 38 94.417 0.096 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 38 95.392 0.033 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 38 95.962 1.474 3.612 1.00 0.00 H new ATOM 0 HG LEU A 38 93.691 1.718 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 38 92.666 2.953 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 38 94.417 3.254 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 38 93.772 2.131 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 38 91.713 0.739 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 38 92.793 -0.127 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 38 92.795 -0.533 4.215 1.00 0.00 H new ATOM 620 N THR A 39 97.701 0.089 1.933 1.00 0.00 N ATOM 621 CA THR A 39 98.886 0.565 1.179 1.00 0.00 C ATOM 622 C THR A 39 98.983 -0.145 -0.170 1.00 0.00 C ATOM 623 O THR A 39 99.486 0.401 -1.132 1.00 0.00 O ATOM 624 CB THR A 39 100.154 0.314 1.987 1.00 0.00 C ATOM 625 OG1 THR A 39 100.003 0.875 3.285 1.00 0.00 O ATOM 626 CG2 THR A 39 101.324 0.981 1.272 1.00 0.00 C ATOM 0 H THR A 39 97.896 -0.433 2.787 1.00 0.00 H new ATOM 0 HA THR A 39 98.778 1.635 1.004 1.00 0.00 H new ATOM 0 HB THR A 39 100.337 -0.756 2.080 1.00 0.00 H new ATOM 0 HG1 THR A 39 100.816 0.714 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 39 102.240 0.811 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 39 101.430 0.557 0.273 1.00 0.00 H new ATOM 0 HG23 THR A 39 101.139 2.052 1.194 1.00 0.00 H new ATOM 634 N ARG A 40 98.523 -1.359 -0.251 1.00 0.00 N ATOM 635 CA ARG A 40 98.606 -2.097 -1.537 1.00 0.00 C ATOM 636 C ARG A 40 97.643 -1.484 -2.551 1.00 0.00 C ATOM 637 O ARG A 40 97.946 -1.394 -3.725 1.00 0.00 O ATOM 638 CB ARG A 40 98.235 -3.568 -1.318 1.00 0.00 C ATOM 639 CG ARG A 40 99.313 -4.288 -0.491 1.00 0.00 C ATOM 640 CD ARG A 40 100.483 -4.724 -1.383 1.00 0.00 C ATOM 641 NE ARG A 40 99.994 -5.694 -2.400 1.00 0.00 N ATOM 642 CZ ARG A 40 100.726 -5.968 -3.443 1.00 0.00 C ATOM 643 NH1 ARG A 40 101.880 -5.382 -3.604 1.00 0.00 N ATOM 644 NH2 ARG A 40 100.302 -6.827 -4.329 1.00 0.00 N ATOM 0 H ARG A 40 98.093 -1.872 0.518 1.00 0.00 H new ATOM 0 HA ARG A 40 99.626 -2.030 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 40 97.275 -3.633 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 40 98.117 -4.065 -2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 40 99.676 -3.627 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 40 98.880 -5.159 -0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 40 100.923 -3.856 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 40 101.267 -5.179 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 40 99.087 -6.144 -2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 40 102.211 -4.708 -2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 40 102.452 -5.597 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 40 99.398 -7.283 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 40 100.874 -7.042 -5.146 1.00 0.00 H new ATOM 658 N GLU A 41 96.471 -1.090 -2.115 1.00 0.00 N ATOM 659 CA GLU A 41 95.467 -0.512 -3.066 1.00 0.00 C ATOM 660 C GLU A 41 95.384 0.991 -2.917 1.00 0.00 C ATOM 661 O GLU A 41 94.907 1.666 -3.806 1.00 0.00 O ATOM 662 CB GLU A 41 94.094 -1.123 -2.789 1.00 0.00 C ATOM 663 CG GLU A 41 94.109 -2.607 -3.161 1.00 0.00 C ATOM 664 CD GLU A 41 94.252 -2.751 -4.677 1.00 0.00 C ATOM 665 OE1 GLU A 41 93.980 -1.786 -5.373 1.00 0.00 O ATOM 666 OE2 GLU A 41 94.640 -3.822 -5.117 1.00 0.00 O ATOM 0 H GLU A 41 96.165 -1.143 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 41 95.782 -0.744 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 41 93.837 -1.004 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 93.329 -0.601 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 41 94.934 -3.111 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 41 93.190 -3.087 -2.824 1.00 0.00 H new ATOM 673 N LEU A 42 95.852 1.531 -1.825 1.00 0.00 N ATOM 674 CA LEU A 42 95.796 3.018 -1.650 1.00 0.00 C ATOM 675 C LEU A 42 97.190 3.521 -1.239 1.00 0.00 C ATOM 676 O LEU A 42 97.436 3.762 -0.077 1.00 0.00 O ATOM 677 CB LEU A 42 94.806 3.402 -0.527 1.00 0.00 C ATOM 678 CG LEU A 42 93.338 3.058 -0.879 1.00 0.00 C ATOM 679 CD1 LEU A 42 92.938 3.684 -2.225 1.00 0.00 C ATOM 680 CD2 LEU A 42 93.118 1.525 -0.905 1.00 0.00 C ATOM 0 H LEU A 42 96.268 1.015 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 42 95.471 3.465 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 42 95.086 2.885 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 42 94.886 4.471 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 42 92.700 3.479 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 42 91.903 3.429 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 42 93.040 4.768 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.587 3.300 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 42 92.079 1.311 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 42 93.771 1.076 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 42 93.349 1.108 0.075 1.00 0.00 H new ATOM 692 N PRO A 43 98.107 3.676 -2.167 1.00 0.00 N ATOM 693 CA PRO A 43 99.471 4.155 -1.808 1.00 0.00 C ATOM 694 C PRO A 43 99.484 5.639 -1.383 1.00 0.00 C ATOM 695 O PRO A 43 99.343 5.956 -0.219 1.00 0.00 O ATOM 696 CB PRO A 43 100.263 3.909 -3.111 1.00 0.00 C ATOM 697 CG PRO A 43 99.256 3.592 -4.237 1.00 0.00 C ATOM 698 CD PRO A 43 97.864 3.383 -3.608 1.00 0.00 C ATOM 0 HA PRO A 43 99.892 3.642 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 43 100.855 4.788 -3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 43 100.960 3.081 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 43 99.226 4.408 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 99.564 2.698 -4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 43 97.121 4.055 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 43 97.500 2.367 -3.759 1.00 0.00 H new ATOM 706 N SER A 44 99.662 6.545 -2.308 1.00 0.00 N ATOM 707 CA SER A 44 99.695 7.993 -1.945 1.00 0.00 C ATOM 708 C SER A 44 98.272 8.518 -1.770 1.00 0.00 C ATOM 709 O SER A 44 98.050 9.553 -1.182 1.00 0.00 O ATOM 710 CB SER A 44 100.391 8.785 -3.051 1.00 0.00 C ATOM 711 OG SER A 44 99.555 8.824 -4.200 1.00 0.00 O ATOM 0 H SER A 44 99.786 6.345 -3.300 1.00 0.00 H new ATOM 0 HA SER A 44 100.242 8.111 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 44 100.605 9.797 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 44 101.347 8.323 -3.298 1.00 0.00 H new ATOM 0 HG SER A 44 99.999 9.333 -4.910 1.00 0.00 H new ATOM 717 N PHE A 45 97.307 7.817 -2.284 1.00 0.00 N ATOM 718 CA PHE A 45 95.896 8.278 -2.158 1.00 0.00 C ATOM 719 C PHE A 45 95.610 8.683 -0.709 1.00 0.00 C ATOM 720 O PHE A 45 94.618 9.320 -0.417 1.00 0.00 O ATOM 721 CB PHE A 45 94.970 7.132 -2.551 1.00 0.00 C ATOM 722 CG PHE A 45 93.565 7.654 -2.753 1.00 0.00 C ATOM 723 CD1 PHE A 45 93.205 8.227 -3.978 1.00 0.00 C ATOM 724 CD2 PHE A 45 92.623 7.562 -1.719 1.00 0.00 C ATOM 725 CE1 PHE A 45 91.904 8.708 -4.172 1.00 0.00 C ATOM 726 CE2 PHE A 45 91.321 8.044 -1.916 1.00 0.00 C ATOM 727 CZ PHE A 45 90.962 8.617 -3.142 1.00 0.00 C ATOM 0 H PHE A 45 97.432 6.940 -2.789 1.00 0.00 H new ATOM 0 HA PHE A 45 95.731 9.137 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 45 95.328 6.661 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 45 94.975 6.366 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 45 93.931 8.298 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 45 92.899 7.121 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 45 91.628 9.150 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 45 90.594 7.973 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 45 89.959 8.988 -3.292 1.00 0.00 H new ATOM 737 N LEU A 46 96.477 8.325 0.200 1.00 0.00 N ATOM 738 CA LEU A 46 96.254 8.702 1.637 1.00 0.00 C ATOM 739 C LEU A 46 97.589 8.627 2.380 1.00 0.00 C ATOM 740 O LEU A 46 97.852 9.398 3.284 1.00 0.00 O ATOM 741 CB LEU A 46 95.203 7.783 2.324 1.00 0.00 C ATOM 742 CG LEU A 46 95.051 6.436 1.594 1.00 0.00 C ATOM 743 CD1 LEU A 46 96.347 5.609 1.710 1.00 0.00 C ATOM 744 CD2 LEU A 46 93.886 5.656 2.227 1.00 0.00 C ATOM 0 H LEU A 46 97.327 7.791 0.017 1.00 0.00 H new ATOM 0 HA LEU A 46 95.860 9.718 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.498 7.604 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 46 94.239 8.291 2.351 1.00 0.00 H new ATOM 0 HG LEU A 46 94.851 6.621 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 46 96.221 4.660 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 46 97.173 6.162 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 46 96.564 5.419 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 46 93.769 4.700 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 46 94.096 5.482 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 46 92.967 6.233 2.130 1.00 0.00 H new ATOM 756 N GLY A 47 98.450 7.737 1.981 1.00 0.00 N ATOM 757 CA GLY A 47 99.784 7.651 2.631 1.00 0.00 C ATOM 758 C GLY A 47 100.622 8.756 2.013 1.00 0.00 C ATOM 759 O GLY A 47 101.836 8.766 2.075 1.00 0.00 O ATOM 0 H GLY A 47 98.288 7.064 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 47 99.701 7.781 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 47 100.239 6.675 2.461 1.00 0.00 H new ATOM 763 N LYS A 48 99.943 9.678 1.386 1.00 0.00 N ATOM 764 CA LYS A 48 100.614 10.805 0.707 1.00 0.00 C ATOM 765 C LYS A 48 101.697 11.401 1.619 1.00 0.00 C ATOM 766 O LYS A 48 102.516 12.185 1.189 1.00 0.00 O ATOM 767 CB LYS A 48 99.564 11.878 0.396 1.00 0.00 C ATOM 768 CG LYS A 48 100.078 12.821 -0.690 1.00 0.00 C ATOM 769 CD LYS A 48 98.944 13.762 -1.088 1.00 0.00 C ATOM 770 CE LYS A 48 99.420 14.710 -2.190 1.00 0.00 C ATOM 771 NZ LYS A 48 100.447 15.643 -1.643 1.00 0.00 N ATOM 0 H LYS A 48 98.925 9.690 1.319 1.00 0.00 H new ATOM 0 HA LYS A 48 101.083 10.454 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 48 98.637 11.406 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 48 99.333 12.443 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 48 100.932 13.390 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 48 100.420 12.253 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 48 98.087 13.186 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 48 98.613 14.334 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 48 99.839 14.139 -3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 48 98.576 15.275 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 100.570 16.444 -2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 100.137 15.996 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 101.351 15.141 -1.538 1.00 0.00 H new ATOM 785 N ARG A 49 101.677 11.038 2.881 1.00 0.00 N ATOM 786 CA ARG A 49 102.668 11.565 3.874 1.00 0.00 C ATOM 787 C ARG A 49 102.182 12.920 4.399 1.00 0.00 C ATOM 788 O ARG A 49 102.912 13.641 5.051 1.00 0.00 O ATOM 789 CB ARG A 49 104.063 11.731 3.235 1.00 0.00 C ATOM 790 CG ARG A 49 105.136 11.666 4.330 1.00 0.00 C ATOM 791 CD ARG A 49 106.523 11.851 3.711 1.00 0.00 C ATOM 792 NE ARG A 49 106.774 10.771 2.716 1.00 0.00 N ATOM 793 CZ ARG A 49 107.773 10.876 1.882 1.00 0.00 C ATOM 794 NH1 ARG A 49 108.556 11.919 1.930 1.00 0.00 N ATOM 795 NH2 ARG A 49 107.992 9.933 1.006 1.00 0.00 N ATOM 0 H ARG A 49 100.999 10.384 3.272 1.00 0.00 H new ATOM 0 HA ARG A 49 102.751 10.851 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 49 104.233 10.947 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 49 104.123 12.683 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 49 104.955 12.440 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 49 105.083 10.708 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 49 106.590 12.826 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 49 107.286 11.827 4.489 1.00 0.00 H new ATOM 0 HE ARG A 49 106.167 9.952 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 49 108.387 12.652 2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 49 109.337 12.001 1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 49 107.383 9.115 0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 49 108.772 10.014 0.354 1.00 0.00 H new ATOM 809 N THR A 50 100.949 13.273 4.117 1.00 0.00 N ATOM 810 CA THR A 50 100.400 14.584 4.594 1.00 0.00 C ATOM 811 C THR A 50 99.423 14.350 5.750 1.00 0.00 C ATOM 812 O THR A 50 99.391 15.100 6.703 1.00 0.00 O ATOM 813 CB THR A 50 99.659 15.265 3.442 1.00 0.00 C ATOM 814 OG1 THR A 50 98.704 14.364 2.897 1.00 0.00 O ATOM 815 CG2 THR A 50 100.661 15.669 2.361 1.00 0.00 C ATOM 0 H THR A 50 100.297 12.707 3.575 1.00 0.00 H new ATOM 0 HA THR A 50 101.220 15.215 4.937 1.00 0.00 H new ATOM 0 HB THR A 50 99.148 16.154 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 50 98.227 14.799 2.160 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.134 16.154 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 50 101.392 16.360 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 50 101.173 14.781 1.989 1.00 0.00 H new ATOM 823 N ASP A 51 98.626 13.312 5.667 1.00 0.00 N ATOM 824 CA ASP A 51 97.636 13.011 6.753 1.00 0.00 C ATOM 825 C ASP A 51 98.046 11.723 7.470 1.00 0.00 C ATOM 826 O ASP A 51 97.249 10.828 7.665 1.00 0.00 O ATOM 827 CB ASP A 51 96.247 12.832 6.136 1.00 0.00 C ATOM 828 CG ASP A 51 96.248 11.610 5.217 1.00 0.00 C ATOM 829 OD1 ASP A 51 97.319 11.222 4.781 1.00 0.00 O ATOM 830 OD2 ASP A 51 95.178 11.081 4.967 1.00 0.00 O ATOM 0 H ASP A 51 98.618 12.654 4.887 1.00 0.00 H new ATOM 0 HA ASP A 51 97.614 13.834 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.502 12.708 6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.971 13.723 5.573 1.00 0.00 H new ATOM 835 N GLU A 52 99.288 11.621 7.856 1.00 0.00 N ATOM 836 CA GLU A 52 99.756 10.389 8.552 1.00 0.00 C ATOM 837 C GLU A 52 98.957 10.191 9.841 1.00 0.00 C ATOM 838 O GLU A 52 98.614 9.084 10.206 1.00 0.00 O ATOM 839 CB GLU A 52 101.240 10.519 8.900 1.00 0.00 C ATOM 840 CG GLU A 52 102.063 10.604 7.614 1.00 0.00 C ATOM 841 CD GLU A 52 103.552 10.674 7.963 1.00 0.00 C ATOM 842 OE1 GLU A 52 103.880 10.458 9.118 1.00 0.00 O ATOM 843 OE2 GLU A 52 104.337 10.946 7.070 1.00 0.00 O ATOM 0 H GLU A 52 100.000 12.339 7.719 1.00 0.00 H new ATOM 0 HA GLU A 52 99.610 9.534 7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 52 101.405 11.408 9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 52 101.561 9.663 9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 52 101.866 9.735 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 52 101.771 11.484 7.041 1.00 0.00 H new ATOM 850 N ALA A 53 98.677 11.251 10.548 1.00 0.00 N ATOM 851 CA ALA A 53 97.926 11.117 11.827 1.00 0.00 C ATOM 852 C ALA A 53 96.573 10.445 11.582 1.00 0.00 C ATOM 853 O ALA A 53 96.160 9.583 12.331 1.00 0.00 O ATOM 854 CB ALA A 53 97.700 12.509 12.427 1.00 0.00 C ATOM 0 H ALA A 53 98.936 12.204 10.295 1.00 0.00 H new ATOM 0 HA ALA A 53 98.505 10.503 12.516 1.00 0.00 H new ATOM 0 HB1 ALA A 53 97.150 12.417 13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 53 98.662 12.984 12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 53 97.126 13.118 11.728 1.00 0.00 H new ATOM 860 N ALA A 54 95.873 10.822 10.546 1.00 0.00 N ATOM 861 CA ALA A 54 94.552 10.182 10.285 1.00 0.00 C ATOM 862 C ALA A 54 94.754 8.706 9.954 1.00 0.00 C ATOM 863 O ALA A 54 93.999 7.851 10.372 1.00 0.00 O ATOM 864 CB ALA A 54 93.867 10.854 9.107 1.00 0.00 C ATOM 0 H ALA A 54 96.155 11.537 9.876 1.00 0.00 H new ATOM 0 HA ALA A 54 93.933 10.286 11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.903 10.378 8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.714 11.910 9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 54 94.492 10.757 8.219 1.00 0.00 H new ATOM 870 N PHE A 55 95.768 8.400 9.196 1.00 0.00 N ATOM 871 CA PHE A 55 96.021 6.981 8.839 1.00 0.00 C ATOM 872 C PHE A 55 96.243 6.214 10.131 1.00 0.00 C ATOM 873 O PHE A 55 95.771 5.108 10.310 1.00 0.00 O ATOM 874 CB PHE A 55 97.285 6.890 7.996 1.00 0.00 C ATOM 875 CG PHE A 55 97.533 5.448 7.618 1.00 0.00 C ATOM 876 CD1 PHE A 55 98.299 4.624 8.451 1.00 0.00 C ATOM 877 CD2 PHE A 55 96.986 4.933 6.435 1.00 0.00 C ATOM 878 CE1 PHE A 55 98.519 3.286 8.100 1.00 0.00 C ATOM 879 CE2 PHE A 55 97.205 3.596 6.086 1.00 0.00 C ATOM 880 CZ PHE A 55 97.971 2.772 6.919 1.00 0.00 C ATOM 0 H PHE A 55 96.431 9.072 8.809 1.00 0.00 H new ATOM 0 HA PHE A 55 95.180 6.573 8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 55 97.182 7.500 7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 55 98.136 7.283 8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 55 98.720 5.020 9.364 1.00 0.00 H new ATOM 0 HD2 PHE A 55 96.395 5.569 5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 55 99.112 2.650 8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 55 96.783 3.200 5.174 1.00 0.00 H new ATOM 0 HZ PHE A 55 98.139 1.740 6.650 1.00 0.00 H new ATOM 890 N GLN A 56 96.950 6.816 11.041 1.00 0.00 N ATOM 891 CA GLN A 56 97.209 6.153 12.345 1.00 0.00 C ATOM 892 C GLN A 56 95.879 5.960 13.053 1.00 0.00 C ATOM 893 O GLN A 56 95.662 4.989 13.746 1.00 0.00 O ATOM 894 CB GLN A 56 98.145 7.017 13.195 1.00 0.00 C ATOM 895 CG GLN A 56 99.544 7.000 12.577 1.00 0.00 C ATOM 896 CD GLN A 56 100.491 7.860 13.417 1.00 0.00 C ATOM 897 OE1 GLN A 56 100.296 7.956 14.703 1.00 0.00 O flip ATOM 898 NE2 GLN A 56 101.423 8.440 12.897 1.00 0.00 N flip ATOM 0 H GLN A 56 97.362 7.743 10.937 1.00 0.00 H new ATOM 0 HA GLN A 56 97.689 5.187 12.188 1.00 0.00 H new ATOM 0 HB2 GLN A 56 97.769 8.039 13.246 1.00 0.00 H new ATOM 0 HB3 GLN A 56 98.181 6.639 14.217 1.00 0.00 H new ATOM 0 HG2 GLN A 56 99.916 5.977 12.525 1.00 0.00 H new ATOM 0 HG3 GLN A 56 99.505 7.377 11.555 1.00 0.00 H new ATOM 0 HE21 GLN A 56 101.574 8.364 11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 56 102.055 9.003 13.466 1.00 0.00 H new ATOM 907 N LYS A 57 94.980 6.868 12.852 1.00 0.00 N ATOM 908 CA LYS A 57 93.631 6.737 13.475 1.00 0.00 C ATOM 909 C LYS A 57 92.906 5.613 12.758 1.00 0.00 C ATOM 910 O LYS A 57 92.234 4.799 13.361 1.00 0.00 O ATOM 911 CB LYS A 57 92.874 8.075 13.358 1.00 0.00 C ATOM 912 CG LYS A 57 91.352 7.857 13.417 1.00 0.00 C ATOM 913 CD LYS A 57 90.645 9.151 13.855 1.00 0.00 C ATOM 914 CE LYS A 57 90.812 10.226 12.776 1.00 0.00 C ATOM 915 NZ LYS A 57 90.059 11.452 13.168 1.00 0.00 N ATOM 0 H LYS A 57 95.114 7.703 12.281 1.00 0.00 H new ATOM 0 HA LYS A 57 93.702 6.501 14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 57 93.181 8.742 14.164 1.00 0.00 H new ATOM 0 HB3 LYS A 57 93.138 8.565 12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 57 90.984 7.546 12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 57 91.120 7.053 14.115 1.00 0.00 H new ATOM 0 HD2 LYS A 57 89.586 8.957 14.027 1.00 0.00 H new ATOM 0 HD3 LYS A 57 91.062 9.502 14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 57 91.868 10.462 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 57 90.447 9.854 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 90.174 12.180 12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 89.050 11.221 13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 90.427 11.811 14.072 1.00 0.00 H new ATOM 929 N LEU A 58 93.076 5.540 11.476 1.00 0.00 N ATOM 930 CA LEU A 58 92.439 4.443 10.718 1.00 0.00 C ATOM 931 C LEU A 58 93.116 3.170 11.184 1.00 0.00 C ATOM 932 O LEU A 58 92.494 2.160 11.415 1.00 0.00 O ATOM 933 CB LEU A 58 92.680 4.655 9.219 1.00 0.00 C ATOM 934 CG LEU A 58 92.025 3.525 8.408 1.00 0.00 C ATOM 935 CD1 LEU A 58 90.500 3.695 8.385 1.00 0.00 C ATOM 936 CD2 LEU A 58 92.564 3.549 6.977 1.00 0.00 C ATOM 0 H LEU A 58 93.629 6.193 10.920 1.00 0.00 H new ATOM 0 HA LEU A 58 91.362 4.401 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 58 92.271 5.617 8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 58 93.751 4.684 9.016 1.00 0.00 H new ATOM 0 HG LEU A 58 92.264 2.570 8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 58 90.052 2.887 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 58 90.115 3.668 9.405 1.00 0.00 H new ATOM 0 HD13 LEU A 58 90.247 4.651 7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 58 92.101 2.748 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 58 92.331 4.509 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 58 93.645 3.406 6.993 1.00 0.00 H new ATOM 948 N MET A 59 94.400 3.234 11.350 1.00 0.00 N ATOM 949 CA MET A 59 95.135 2.051 11.844 1.00 0.00 C ATOM 950 C MET A 59 94.765 1.834 13.302 1.00 0.00 C ATOM 951 O MET A 59 94.662 0.721 13.775 1.00 0.00 O ATOM 952 CB MET A 59 96.642 2.262 11.711 1.00 0.00 C ATOM 953 CG MET A 59 97.362 0.947 12.012 1.00 0.00 C ATOM 954 SD MET A 59 99.147 1.174 11.817 1.00 0.00 S ATOM 955 CE MET A 59 99.648 -0.436 12.475 1.00 0.00 C ATOM 0 H MET A 59 94.973 4.057 11.164 1.00 0.00 H new ATOM 0 HA MET A 59 94.865 1.176 11.253 1.00 0.00 H new ATOM 0 HB2 MET A 59 96.886 2.602 10.705 1.00 0.00 H new ATOM 0 HB3 MET A 59 96.975 3.039 12.400 1.00 0.00 H new ATOM 0 HG2 MET A 59 97.135 0.621 13.027 1.00 0.00 H new ATOM 0 HG3 MET A 59 97.009 0.165 11.340 1.00 0.00 H new ATOM 0 HE1 MET A 59 100.693 -0.622 12.226 1.00 0.00 H new ATOM 0 HE2 MET A 59 99.527 -0.440 13.558 1.00 0.00 H new ATOM 0 HE3 MET A 59 99.026 -1.217 12.038 1.00 0.00 H new ATOM 965 N SER A 60 94.559 2.898 14.027 1.00 0.00 N ATOM 966 CA SER A 60 94.189 2.740 15.458 1.00 0.00 C ATOM 967 C SER A 60 92.926 1.894 15.531 1.00 0.00 C ATOM 968 O SER A 60 92.684 1.202 16.500 1.00 0.00 O ATOM 969 CB SER A 60 93.931 4.101 16.101 1.00 0.00 C ATOM 970 OG SER A 60 93.740 3.926 17.500 1.00 0.00 O ATOM 0 H SER A 60 94.630 3.859 13.694 1.00 0.00 H new ATOM 0 HA SER A 60 95.006 2.259 15.996 1.00 0.00 H new ATOM 0 HB2 SER A 60 94.772 4.769 15.917 1.00 0.00 H new ATOM 0 HB3 SER A 60 93.051 4.566 15.657 1.00 0.00 H new ATOM 0 HG SER A 60 93.575 4.796 17.919 1.00 0.00 H new ATOM 976 N ASN A 61 92.135 1.910 14.492 1.00 0.00 N ATOM 977 CA ASN A 61 90.913 1.066 14.499 1.00 0.00 C ATOM 978 C ASN A 61 91.404 -0.362 14.397 1.00 0.00 C ATOM 979 O ASN A 61 90.866 -1.279 14.983 1.00 0.00 O ATOM 980 CB ASN A 61 90.003 1.419 13.318 1.00 0.00 C ATOM 981 CG ASN A 61 89.394 2.802 13.549 1.00 0.00 C ATOM 982 OD1 ASN A 61 89.281 3.250 14.674 1.00 0.00 O ATOM 983 ND2 ASN A 61 88.998 3.505 12.525 1.00 0.00 N ATOM 0 H ASN A 61 92.282 2.465 13.649 1.00 0.00 H new ATOM 0 HA ASN A 61 90.321 1.221 15.401 1.00 0.00 H new ATOM 0 HB2 ASN A 61 90.573 1.410 12.389 1.00 0.00 H new ATOM 0 HB3 ASN A 61 89.214 0.674 13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 61 88.594 4.430 12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 61 89.093 3.130 11.581 1.00 0.00 H new ATOM 990 N LEU A 62 92.482 -0.532 13.688 1.00 0.00 N ATOM 991 CA LEU A 62 93.096 -1.870 13.566 1.00 0.00 C ATOM 992 C LEU A 62 93.397 -2.309 15.000 1.00 0.00 C ATOM 993 O LEU A 62 93.306 -3.465 15.361 1.00 0.00 O ATOM 994 CB LEU A 62 94.394 -1.718 12.743 1.00 0.00 C ATOM 995 CG LEU A 62 94.645 -2.941 11.868 1.00 0.00 C ATOM 996 CD1 LEU A 62 95.754 -2.624 10.865 1.00 0.00 C ATOM 997 CD2 LEU A 62 95.081 -4.118 12.738 1.00 0.00 C ATOM 0 H LEU A 62 92.966 0.211 13.184 1.00 0.00 H new ATOM 0 HA LEU A 62 92.461 -2.603 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 62 94.327 -0.828 12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 62 95.238 -1.571 13.416 1.00 0.00 H new ATOM 0 HG LEU A 62 93.727 -3.200 11.340 1.00 0.00 H new ATOM 0 HD11 LEU A 62 95.937 -3.496 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 62 95.450 -1.784 10.240 1.00 0.00 H new ATOM 0 HD13 LEU A 62 96.667 -2.365 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.259 -4.990 12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 62 95.998 -3.859 13.267 1.00 0.00 H new ATOM 0 HD23 LEU A 62 94.297 -4.346 13.460 1.00 0.00 H new ATOM 1009 N ASP A 63 93.714 -1.342 15.822 1.00 0.00 N ATOM 1010 CA ASP A 63 93.989 -1.604 17.258 1.00 0.00 C ATOM 1011 C ASP A 63 92.668 -1.473 18.028 1.00 0.00 C ATOM 1012 O ASP A 63 92.653 -1.348 19.237 1.00 0.00 O ATOM 1013 CB ASP A 63 94.995 -0.562 17.776 1.00 0.00 C ATOM 1014 CG ASP A 63 95.656 -1.067 19.061 1.00 0.00 C ATOM 1015 OD1 ASP A 63 94.962 -1.664 19.867 1.00 0.00 O ATOM 1016 OD2 ASP A 63 96.847 -0.849 19.217 1.00 0.00 O ATOM 0 H ASP A 63 93.794 -0.363 15.548 1.00 0.00 H new ATOM 0 HA ASP A 63 94.405 -2.602 17.394 1.00 0.00 H new ATOM 0 HB2 ASP A 63 95.754 -0.369 17.018 1.00 0.00 H new ATOM 0 HB3 ASP A 63 94.487 0.383 17.966 1.00 0.00 H new ATOM 1021 N SER A 64 91.557 -1.475 17.329 1.00 0.00 N ATOM 1022 CA SER A 64 90.239 -1.322 18.015 1.00 0.00 C ATOM 1023 C SER A 64 90.037 -2.458 19.020 1.00 0.00 C ATOM 1024 O SER A 64 89.535 -2.255 20.108 1.00 0.00 O ATOM 1025 CB SER A 64 89.104 -1.372 16.989 1.00 0.00 C ATOM 1026 OG SER A 64 89.227 -2.554 16.208 1.00 0.00 O ATOM 0 H SER A 64 91.509 -1.576 16.315 1.00 0.00 H new ATOM 0 HA SER A 64 90.229 -0.362 18.532 1.00 0.00 H new ATOM 0 HB2 SER A 64 88.139 -1.356 17.496 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.141 -0.492 16.346 1.00 0.00 H new ATOM 0 HG SER A 64 89.687 -2.345 15.368 1.00 0.00 H new ATOM 1032 N ASN A 65 90.417 -3.656 18.663 1.00 0.00 N ATOM 1033 CA ASN A 65 90.243 -4.806 19.597 1.00 0.00 C ATOM 1034 C ASN A 65 91.213 -5.926 19.228 1.00 0.00 C ATOM 1035 O ASN A 65 91.721 -5.983 18.127 1.00 0.00 O ATOM 1036 CB ASN A 65 88.815 -5.340 19.512 1.00 0.00 C ATOM 1037 CG ASN A 65 88.618 -6.404 20.594 1.00 0.00 C ATOM 1038 OD1 ASN A 65 88.692 -7.585 20.318 1.00 0.00 O ATOM 1039 ND2 ASN A 65 88.380 -6.034 21.822 1.00 0.00 N ATOM 0 H ASN A 65 90.841 -3.888 17.765 1.00 0.00 H new ATOM 0 HA ASN A 65 90.444 -4.463 20.612 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.100 -4.528 19.647 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.630 -5.766 18.526 1.00 0.00 H new ATOM 0 HD21 ASN A 65 88.256 -6.736 22.551 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.318 -5.042 22.053 1.00 0.00 H new ATOM 1046 N ARG A 66 91.476 -6.816 20.146 1.00 0.00 N ATOM 1047 CA ARG A 66 92.418 -7.929 19.851 1.00 0.00 C ATOM 1048 C ARG A 66 91.891 -8.763 18.676 1.00 0.00 C ATOM 1049 O ARG A 66 92.629 -9.110 17.777 1.00 0.00 O ATOM 1050 CB ARG A 66 92.551 -8.822 21.086 1.00 0.00 C ATOM 1051 CG ARG A 66 93.314 -8.068 22.176 1.00 0.00 C ATOM 1052 CD ARG A 66 93.526 -8.982 23.385 1.00 0.00 C ATOM 1053 NE ARG A 66 92.218 -9.261 24.045 1.00 0.00 N ATOM 1054 CZ ARG A 66 92.129 -10.238 24.906 1.00 0.00 C ATOM 1055 NH1 ARG A 66 93.181 -10.959 25.174 1.00 0.00 N ATOM 1056 NH2 ARG A 66 90.993 -10.490 25.502 1.00 0.00 N ATOM 0 H ARG A 66 91.079 -6.819 21.086 1.00 0.00 H new ATOM 0 HA ARG A 66 93.391 -7.514 19.589 1.00 0.00 H new ATOM 0 HB2 ARG A 66 91.564 -9.109 21.449 1.00 0.00 H new ATOM 0 HB3 ARG A 66 93.076 -9.742 20.829 1.00 0.00 H new ATOM 0 HG2 ARG A 66 94.276 -7.729 21.791 1.00 0.00 H new ATOM 0 HG3 ARG A 66 92.758 -7.179 22.473 1.00 0.00 H new ATOM 0 HD2 ARG A 66 93.990 -9.916 23.069 1.00 0.00 H new ATOM 0 HD3 ARG A 66 94.208 -8.511 24.093 1.00 0.00 H new ATOM 0 HE ARG A 66 91.400 -8.693 23.825 1.00 0.00 H new ATOM 0 HH11 ARG A 66 94.068 -10.759 24.712 1.00 0.00 H new ATOM 0 HH12 ARG A 66 93.117 -11.724 25.846 1.00 0.00 H new ATOM 0 HH21 ARG A 66 90.171 -9.922 25.295 1.00 0.00 H new ATOM 0 HH22 ARG A 66 90.928 -11.255 26.174 1.00 0.00 H new ATOM 1070 N ASP A 67 90.617 -9.088 18.677 1.00 0.00 N ATOM 1071 CA ASP A 67 90.032 -9.905 17.560 1.00 0.00 C ATOM 1072 C ASP A 67 89.041 -9.048 16.764 1.00 0.00 C ATOM 1073 O ASP A 67 88.061 -8.566 17.297 1.00 0.00 O ATOM 1074 CB ASP A 67 89.298 -11.111 18.153 1.00 0.00 C ATOM 1075 CG ASP A 67 90.315 -12.089 18.747 1.00 0.00 C ATOM 1076 OD1 ASP A 67 91.475 -12.005 18.378 1.00 0.00 O ATOM 1077 OD2 ASP A 67 89.918 -12.901 19.568 1.00 0.00 O ATOM 0 H ASP A 67 89.955 -8.822 19.406 1.00 0.00 H new ATOM 0 HA ASP A 67 90.829 -10.246 16.899 1.00 0.00 H new ATOM 0 HB2 ASP A 67 88.601 -10.782 18.924 1.00 0.00 H new ATOM 0 HB3 ASP A 67 88.709 -11.607 17.381 1.00 0.00 H new ATOM 1082 N ASN A 68 89.283 -8.859 15.494 1.00 0.00 N ATOM 1083 CA ASN A 68 88.352 -8.036 14.668 1.00 0.00 C ATOM 1084 C ASN A 68 88.727 -8.175 13.189 1.00 0.00 C ATOM 1085 O ASN A 68 89.240 -7.261 12.583 1.00 0.00 O ATOM 1086 CB ASN A 68 88.467 -6.570 15.093 1.00 0.00 C ATOM 1087 CG ASN A 68 87.567 -5.702 14.210 1.00 0.00 C ATOM 1088 OD1 ASN A 68 88.050 -4.971 13.367 1.00 0.00 O ATOM 1089 ND2 ASN A 68 86.273 -5.747 14.369 1.00 0.00 N ATOM 0 H ASN A 68 90.086 -9.239 14.993 1.00 0.00 H new ATOM 0 HA ASN A 68 87.327 -8.378 14.814 1.00 0.00 H new ATOM 0 HB2 ASN A 68 88.180 -6.461 16.139 1.00 0.00 H new ATOM 0 HB3 ASN A 68 89.502 -6.238 15.011 1.00 0.00 H new ATOM 0 HD21 ASN A 68 85.667 -5.169 13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 68 85.867 -6.360 15.076 1.00 0.00 H new ATOM 1096 N GLU A 69 88.476 -9.314 12.603 1.00 0.00 N ATOM 1097 CA GLU A 69 88.829 -9.514 11.166 1.00 0.00 C ATOM 1098 C GLU A 69 88.001 -8.564 10.283 1.00 0.00 C ATOM 1099 O GLU A 69 87.222 -7.775 10.778 1.00 0.00 O ATOM 1100 CB GLU A 69 88.581 -10.984 10.795 1.00 0.00 C ATOM 1101 CG GLU A 69 87.093 -11.241 10.562 1.00 0.00 C ATOM 1102 CD GLU A 69 86.280 -10.696 11.739 1.00 0.00 C ATOM 1103 OE1 GLU A 69 86.477 -11.177 12.843 1.00 0.00 O ATOM 1104 OE2 GLU A 69 85.471 -9.812 11.515 1.00 0.00 O ATOM 0 H GLU A 69 88.041 -10.117 13.057 1.00 0.00 H new ATOM 0 HA GLU A 69 89.881 -9.283 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.143 -11.237 9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.946 -11.632 11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.773 -10.764 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 69 86.913 -12.310 10.448 1.00 0.00 H new ATOM 1111 N VAL A 70 88.186 -8.614 8.980 1.00 0.00 N ATOM 1112 CA VAL A 70 87.439 -7.690 8.062 1.00 0.00 C ATOM 1113 C VAL A 70 86.491 -8.493 7.191 1.00 0.00 C ATOM 1114 O VAL A 70 86.893 -9.183 6.276 1.00 0.00 O ATOM 1115 CB VAL A 70 88.457 -6.955 7.159 1.00 0.00 C ATOM 1116 CG1 VAL A 70 87.979 -5.542 6.851 1.00 0.00 C ATOM 1117 CG2 VAL A 70 89.798 -6.871 7.877 1.00 0.00 C ATOM 0 H VAL A 70 88.825 -9.258 8.513 1.00 0.00 H new ATOM 0 HA VAL A 70 86.868 -6.971 8.649 1.00 0.00 H new ATOM 0 HB VAL A 70 88.557 -7.510 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 70 88.709 -5.042 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 70 87.019 -5.587 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 70 87.866 -4.985 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 70 90.518 -6.353 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 70 89.677 -6.323 8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 70 90.160 -7.877 8.091 1.00 0.00 H new ATOM 1127 N ASP A 71 85.232 -8.360 7.439 1.00 0.00 N ATOM 1128 CA ASP A 71 84.237 -9.061 6.599 1.00 0.00 C ATOM 1129 C ASP A 71 84.085 -8.231 5.336 1.00 0.00 C ATOM 1130 O ASP A 71 84.618 -7.143 5.242 1.00 0.00 O ATOM 1131 CB ASP A 71 82.892 -9.145 7.327 1.00 0.00 C ATOM 1132 CG ASP A 71 82.997 -10.115 8.505 1.00 0.00 C ATOM 1133 OD1 ASP A 71 83.925 -10.907 8.518 1.00 0.00 O ATOM 1134 OD2 ASP A 71 82.147 -10.048 9.378 1.00 0.00 O ATOM 0 H ASP A 71 84.843 -7.793 8.192 1.00 0.00 H new ATOM 0 HA ASP A 71 84.559 -10.078 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 71 82.599 -8.157 7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 71 82.116 -9.479 6.638 1.00 0.00 H new ATOM 1139 N PHE A 72 83.369 -8.700 4.367 1.00 0.00 N ATOM 1140 CA PHE A 72 83.210 -7.892 3.144 1.00 0.00 C ATOM 1141 C PHE A 72 82.621 -6.546 3.563 1.00 0.00 C ATOM 1142 O PHE A 72 82.990 -5.503 3.062 1.00 0.00 O ATOM 1143 CB PHE A 72 82.255 -8.608 2.195 1.00 0.00 C ATOM 1144 CG PHE A 72 82.094 -7.790 0.947 1.00 0.00 C ATOM 1145 CD1 PHE A 72 81.103 -6.808 0.879 1.00 0.00 C ATOM 1146 CD2 PHE A 72 82.935 -8.018 -0.142 1.00 0.00 C ATOM 1147 CE1 PHE A 72 80.955 -6.051 -0.285 1.00 0.00 C ATOM 1148 CE2 PHE A 72 82.790 -7.263 -1.305 1.00 0.00 C ATOM 1149 CZ PHE A 72 81.799 -6.276 -1.380 1.00 0.00 C ATOM 0 H PHE A 72 82.890 -9.601 4.368 1.00 0.00 H new ATOM 0 HA PHE A 72 84.164 -7.748 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 72 82.642 -9.597 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 72 81.288 -8.755 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 72 80.453 -6.635 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 72 83.699 -8.780 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 72 80.189 -5.291 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 72 83.442 -7.439 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 72 81.686 -5.690 -2.280 1.00 0.00 H new ATOM 1159 N GLN A 73 81.698 -6.576 4.483 1.00 0.00 N ATOM 1160 CA GLN A 73 81.061 -5.320 4.956 1.00 0.00 C ATOM 1161 C GLN A 73 82.051 -4.436 5.732 1.00 0.00 C ATOM 1162 O GLN A 73 82.043 -3.234 5.575 1.00 0.00 O ATOM 1163 CB GLN A 73 79.890 -5.668 5.872 1.00 0.00 C ATOM 1164 CG GLN A 73 79.078 -4.404 6.166 1.00 0.00 C ATOM 1165 CD GLN A 73 77.839 -4.767 6.987 1.00 0.00 C ATOM 1166 OE1 GLN A 73 77.411 -6.001 6.997 1.00 0.00 O flip ATOM 1167 NE2 GLN A 73 77.249 -3.918 7.625 1.00 0.00 N flip ATOM 0 H GLN A 73 81.356 -7.426 4.930 1.00 0.00 H new ATOM 0 HA GLN A 73 80.721 -4.766 4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 73 79.256 -6.419 5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 73 80.258 -6.101 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 73 79.690 -3.686 6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 73 78.781 -3.926 5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 73 77.581 -2.953 7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 73 76.422 -4.170 8.166 1.00 0.00 H new ATOM 1176 N GLU A 74 82.904 -4.985 6.570 1.00 0.00 N ATOM 1177 CA GLU A 74 83.838 -4.102 7.315 1.00 0.00 C ATOM 1178 C GLU A 74 84.834 -3.483 6.350 1.00 0.00 C ATOM 1179 O GLU A 74 85.190 -2.329 6.471 1.00 0.00 O ATOM 1180 CB GLU A 74 84.556 -4.900 8.402 1.00 0.00 C ATOM 1181 CG GLU A 74 83.557 -5.263 9.502 1.00 0.00 C ATOM 1182 CD GLU A 74 84.261 -6.074 10.592 1.00 0.00 C ATOM 1183 OE1 GLU A 74 85.476 -6.159 10.547 1.00 0.00 O ATOM 1184 OE2 GLU A 74 83.570 -6.594 11.454 1.00 0.00 O ATOM 0 H GLU A 74 82.987 -5.983 6.762 1.00 0.00 H new ATOM 0 HA GLU A 74 83.276 -3.301 7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 74 84.993 -5.804 7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 74 85.376 -4.315 8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 74 83.127 -4.357 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 74 82.733 -5.839 9.082 1.00 0.00 H new ATOM 1191 N TYR A 75 85.282 -4.228 5.387 1.00 0.00 N ATOM 1192 CA TYR A 75 86.251 -3.653 4.426 1.00 0.00 C ATOM 1193 C TYR A 75 85.593 -2.449 3.738 1.00 0.00 C ATOM 1194 O TYR A 75 86.212 -1.426 3.523 1.00 0.00 O ATOM 1195 CB TYR A 75 86.628 -4.722 3.392 1.00 0.00 C ATOM 1196 CG TYR A 75 87.336 -4.086 2.210 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.481 -3.304 2.413 1.00 0.00 C ATOM 1198 CD2 TYR A 75 86.848 -4.284 0.911 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.134 -2.722 1.321 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.502 -3.701 -0.179 1.00 0.00 C ATOM 1201 CZ TYR A 75 88.645 -2.921 0.024 1.00 0.00 C ATOM 1202 OH TYR A 75 89.291 -2.349 -1.052 1.00 0.00 O ATOM 0 H TYR A 75 85.022 -5.201 5.224 1.00 0.00 H new ATOM 0 HA TYR A 75 87.157 -3.328 4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 75 87.274 -5.470 3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 75 85.732 -5.240 3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 75 88.860 -3.151 3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 75 85.966 -4.887 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.016 -2.119 1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.124 -3.853 -1.179 1.00 0.00 H new ATOM 0 HH TYR A 75 88.823 -2.587 -1.879 1.00 0.00 H new ATOM 1212 N CYS A 76 84.332 -2.563 3.412 1.00 0.00 N ATOM 1213 CA CYS A 76 83.613 -1.432 2.763 1.00 0.00 C ATOM 1214 C CYS A 76 83.427 -0.318 3.783 1.00 0.00 C ATOM 1215 O CYS A 76 83.579 0.847 3.470 1.00 0.00 O ATOM 1216 CB CYS A 76 82.241 -1.894 2.266 1.00 0.00 C ATOM 1217 SG CYS A 76 81.358 -0.481 1.558 1.00 0.00 S ATOM 0 H CYS A 76 83.767 -3.398 3.570 1.00 0.00 H new ATOM 0 HA CYS A 76 84.195 -1.074 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 76 82.357 -2.678 1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 76 81.668 -2.321 3.089 1.00 0.00 H new ATOM 0 HG CYS A 76 81.268 0.464 2.446 1.00 0.00 H new ATOM 1223 N VAL A 77 83.119 -0.653 5.011 1.00 0.00 N ATOM 1224 CA VAL A 77 82.960 0.419 6.020 1.00 0.00 C ATOM 1225 C VAL A 77 84.288 1.153 6.101 1.00 0.00 C ATOM 1226 O VAL A 77 84.341 2.365 6.179 1.00 0.00 O ATOM 1227 CB VAL A 77 82.605 -0.194 7.378 1.00 0.00 C ATOM 1228 CG1 VAL A 77 82.685 0.868 8.478 1.00 0.00 C ATOM 1229 CG2 VAL A 77 81.181 -0.748 7.320 1.00 0.00 C ATOM 0 H VAL A 77 82.975 -1.605 5.347 1.00 0.00 H new ATOM 0 HA VAL A 77 82.159 1.104 5.744 1.00 0.00 H new ATOM 0 HB VAL A 77 83.312 -0.993 7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 77 82.430 0.418 9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 77 83.697 1.270 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 77 81.985 1.674 8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 77 80.922 -1.186 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 80.486 0.059 7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 77 81.119 -1.513 6.546 1.00 0.00 H new ATOM 1239 N PHE A 78 85.369 0.426 6.056 1.00 0.00 N ATOM 1240 CA PHE A 78 86.689 1.090 6.101 1.00 0.00 C ATOM 1241 C PHE A 78 86.913 1.842 4.788 1.00 0.00 C ATOM 1242 O PHE A 78 87.410 2.945 4.779 1.00 0.00 O ATOM 1243 CB PHE A 78 87.803 0.054 6.298 1.00 0.00 C ATOM 1244 CG PHE A 78 87.839 -0.405 7.742 1.00 0.00 C ATOM 1245 CD1 PHE A 78 88.134 0.513 8.762 1.00 0.00 C ATOM 1246 CD2 PHE A 78 87.583 -1.745 8.066 1.00 0.00 C ATOM 1247 CE1 PHE A 78 88.170 0.092 10.096 1.00 0.00 C ATOM 1248 CE2 PHE A 78 87.619 -2.164 9.401 1.00 0.00 C ATOM 1249 CZ PHE A 78 87.911 -1.245 10.415 1.00 0.00 C ATOM 0 H PHE A 78 85.391 -0.592 5.990 1.00 0.00 H new ATOM 0 HA PHE A 78 86.711 1.787 6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 78 87.636 -0.800 5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.765 0.486 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.333 1.546 8.517 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.358 -2.455 7.284 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.398 0.800 10.879 1.00 0.00 H new ATOM 0 HE2 PHE A 78 87.421 -3.197 9.648 1.00 0.00 H new ATOM 0 HZ PHE A 78 87.936 -1.568 11.445 1.00 0.00 H new ATOM 1259 N LEU A 79 86.541 1.265 3.673 1.00 0.00 N ATOM 1260 CA LEU A 79 86.751 1.983 2.380 1.00 0.00 C ATOM 1261 C LEU A 79 85.889 3.248 2.369 1.00 0.00 C ATOM 1262 O LEU A 79 86.301 4.296 1.912 1.00 0.00 O ATOM 1263 CB LEU A 79 86.370 1.077 1.205 1.00 0.00 C ATOM 1264 CG LEU A 79 86.651 1.786 -0.130 1.00 0.00 C ATOM 1265 CD1 LEU A 79 88.160 2.067 -0.281 1.00 0.00 C ATOM 1266 CD2 LEU A 79 86.171 0.884 -1.276 1.00 0.00 C ATOM 0 H LEU A 79 86.108 0.344 3.602 1.00 0.00 H new ATOM 0 HA LEU A 79 87.802 2.254 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.936 0.147 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.315 0.812 1.269 1.00 0.00 H new ATOM 0 HG LEU A 79 86.120 2.738 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 79 88.343 2.569 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 79 88.495 2.705 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 79 88.710 1.126 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.364 1.374 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.706 -0.065 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 79 85.101 0.701 -1.172 1.00 0.00 H new ATOM 1278 N SER A 80 84.691 3.148 2.871 1.00 0.00 N ATOM 1279 CA SER A 80 83.781 4.329 2.901 1.00 0.00 C ATOM 1280 C SER A 80 84.346 5.375 3.854 1.00 0.00 C ATOM 1281 O SER A 80 84.431 6.544 3.532 1.00 0.00 O ATOM 1282 CB SER A 80 82.400 3.892 3.388 1.00 0.00 C ATOM 1283 OG SER A 80 81.479 4.961 3.210 1.00 0.00 O ATOM 0 H SER A 80 84.299 2.293 3.265 1.00 0.00 H new ATOM 0 HA SER A 80 83.697 4.753 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 80 82.067 3.014 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 80 82.446 3.607 4.439 1.00 0.00 H new ATOM 0 HG SER A 80 80.592 4.683 3.520 1.00 0.00 H new ATOM 1289 N CYS A 81 84.753 4.960 5.020 1.00 0.00 N ATOM 1290 CA CYS A 81 85.337 5.928 5.978 1.00 0.00 C ATOM 1291 C CYS A 81 86.558 6.543 5.317 1.00 0.00 C ATOM 1292 O CYS A 81 86.858 7.706 5.489 1.00 0.00 O ATOM 1293 CB CYS A 81 85.732 5.212 7.280 1.00 0.00 C ATOM 1294 SG CYS A 81 87.342 4.397 7.096 1.00 0.00 S ATOM 0 H CYS A 81 84.705 3.995 5.347 1.00 0.00 H new ATOM 0 HA CYS A 81 84.614 6.702 6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 81 85.773 5.931 8.099 1.00 0.00 H new ATOM 0 HB3 CYS A 81 84.973 4.475 7.541 1.00 0.00 H new ATOM 0 HG CYS A 81 87.388 3.780 5.952 1.00 0.00 H new ATOM 1300 N ILE A 82 87.257 5.761 4.546 1.00 0.00 N ATOM 1301 CA ILE A 82 88.458 6.294 3.851 1.00 0.00 C ATOM 1302 C ILE A 82 88.016 7.297 2.789 1.00 0.00 C ATOM 1303 O ILE A 82 88.630 8.326 2.597 1.00 0.00 O ATOM 1304 CB ILE A 82 89.237 5.139 3.216 1.00 0.00 C ATOM 1305 CG1 ILE A 82 89.938 4.337 4.325 1.00 0.00 C ATOM 1306 CG2 ILE A 82 90.281 5.683 2.234 1.00 0.00 C ATOM 1307 CD1 ILE A 82 90.317 2.948 3.807 1.00 0.00 C ATOM 0 H ILE A 82 87.049 4.778 4.367 1.00 0.00 H new ATOM 0 HA ILE A 82 89.110 6.799 4.563 1.00 0.00 H new ATOM 0 HB ILE A 82 88.547 4.494 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.831 4.866 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.281 4.245 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.829 4.853 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.781 6.251 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.976 6.333 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 82 90.813 2.387 4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 82 89.417 2.418 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 82 90.991 3.048 2.957 1.00 0.00 H new ATOM 1319 N ALA A 83 86.955 7.011 2.097 1.00 0.00 N ATOM 1320 CA ALA A 83 86.487 7.965 1.064 1.00 0.00 C ATOM 1321 C ALA A 83 86.040 9.258 1.751 1.00 0.00 C ATOM 1322 O ALA A 83 86.479 10.339 1.413 1.00 0.00 O ATOM 1323 CB ALA A 83 85.315 7.358 0.306 1.00 0.00 C ATOM 0 H ALA A 83 86.395 6.165 2.201 1.00 0.00 H new ATOM 0 HA ALA A 83 87.294 8.179 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 83 84.971 8.060 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 83 85.632 6.431 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 83 84.502 7.148 1.001 1.00 0.00 H new ATOM 1329 N MET A 84 85.188 9.154 2.733 1.00 0.00 N ATOM 1330 CA MET A 84 84.743 10.381 3.449 1.00 0.00 C ATOM 1331 C MET A 84 85.955 11.043 4.072 1.00 0.00 C ATOM 1332 O MET A 84 86.025 12.251 4.191 1.00 0.00 O ATOM 1333 CB MET A 84 83.738 10.027 4.536 1.00 0.00 C ATOM 1334 CG MET A 84 82.425 9.582 3.896 1.00 0.00 C ATOM 1335 SD MET A 84 81.248 9.169 5.201 1.00 0.00 S ATOM 1336 CE MET A 84 82.138 7.741 5.864 1.00 0.00 C ATOM 0 H MET A 84 84.784 8.280 3.068 1.00 0.00 H new ATOM 0 HA MET A 84 84.263 11.059 2.744 1.00 0.00 H new ATOM 0 HB2 MET A 84 84.135 9.231 5.167 1.00 0.00 H new ATOM 0 HB3 MET A 84 83.566 10.889 5.181 1.00 0.00 H new ATOM 0 HG2 MET A 84 82.025 10.376 3.265 1.00 0.00 H new ATOM 0 HG3 MET A 84 82.593 8.718 3.253 1.00 0.00 H new ATOM 0 HE1 MET A 84 81.424 7.021 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 84 82.719 7.273 5.069 1.00 0.00 H new ATOM 0 HE3 MET A 84 82.808 8.067 6.659 1.00 0.00 H new ATOM 1346 N MET A 85 86.920 10.264 4.461 1.00 0.00 N ATOM 1347 CA MET A 85 88.130 10.859 5.063 1.00 0.00 C ATOM 1348 C MET A 85 88.729 11.798 4.026 1.00 0.00 C ATOM 1349 O MET A 85 89.205 12.865 4.354 1.00 0.00 O ATOM 1350 CB MET A 85 89.137 9.761 5.435 1.00 0.00 C ATOM 1351 CG MET A 85 90.344 10.379 6.145 1.00 0.00 C ATOM 1352 SD MET A 85 91.460 9.062 6.692 1.00 0.00 S ATOM 1353 CE MET A 85 92.459 8.947 5.185 1.00 0.00 C ATOM 0 H MET A 85 86.920 9.247 4.387 1.00 0.00 H new ATOM 0 HA MET A 85 87.882 11.399 5.977 1.00 0.00 H new ATOM 0 HB2 MET A 85 88.662 9.024 6.082 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.462 9.235 4.538 1.00 0.00 H new ATOM 0 HG2 MET A 85 90.867 11.058 5.472 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.014 10.969 7.000 1.00 0.00 H new ATOM 0 HE1 MET A 85 93.265 8.230 5.337 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.832 8.618 4.357 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.882 9.925 4.953 1.00 0.00 H new ATOM 1363 N CYS A 86 88.680 11.434 2.764 1.00 0.00 N ATOM 1364 CA CYS A 86 89.233 12.361 1.731 1.00 0.00 C ATOM 1365 C CYS A 86 89.066 11.791 0.315 1.00 0.00 C ATOM 1366 O CYS A 86 90.027 11.389 -0.309 1.00 0.00 O ATOM 1367 CB CYS A 86 90.722 12.605 2.012 1.00 0.00 C ATOM 1368 SG CYS A 86 91.487 11.067 2.582 1.00 0.00 S ATOM 0 H CYS A 86 88.291 10.558 2.414 1.00 0.00 H new ATOM 0 HA CYS A 86 88.680 13.299 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 86 91.220 12.959 1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 86 90.838 13.383 2.766 1.00 0.00 H new ATOM 0 HG CYS A 86 92.749 11.272 2.818 1.00 0.00 H new ATOM 1374 N ASN A 87 87.864 11.788 -0.216 1.00 0.00 N ATOM 1375 CA ASN A 87 87.661 11.282 -1.616 1.00 0.00 C ATOM 1376 C ASN A 87 87.556 12.480 -2.562 1.00 0.00 C ATOM 1377 O ASN A 87 88.301 12.603 -3.514 1.00 0.00 O ATOM 1378 CB ASN A 87 86.366 10.464 -1.709 1.00 0.00 C ATOM 1379 CG ASN A 87 86.415 9.568 -2.951 1.00 0.00 C ATOM 1380 OD1 ASN A 87 86.581 8.368 -2.842 1.00 0.00 O ATOM 1381 ND2 ASN A 87 86.288 10.106 -4.134 1.00 0.00 N ATOM 0 H ASN A 87 87.019 12.112 0.255 1.00 0.00 H new ATOM 0 HA ASN A 87 88.503 10.646 -1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 87 86.243 9.855 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 87 85.505 11.131 -1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 87 86.328 9.520 -4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 87 86.149 11.112 -4.224 1.00 0.00 H new ATOM 1388 N GLU A 88 86.631 13.368 -2.303 1.00 0.00 N ATOM 1389 CA GLU A 88 86.476 14.560 -3.180 1.00 0.00 C ATOM 1390 C GLU A 88 87.648 15.509 -2.950 1.00 0.00 C ATOM 1391 O GLU A 88 88.120 15.675 -1.843 1.00 0.00 O ATOM 1392 CB GLU A 88 85.167 15.287 -2.860 1.00 0.00 C ATOM 1393 CG GLU A 88 83.982 14.393 -3.228 1.00 0.00 C ATOM 1394 CD GLU A 88 82.674 15.126 -2.924 1.00 0.00 C ATOM 1395 OE1 GLU A 88 82.742 16.279 -2.532 1.00 0.00 O ATOM 1396 OE2 GLU A 88 81.626 14.523 -3.090 1.00 0.00 O ATOM 0 H GLU A 88 85.978 13.317 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 88 86.457 14.236 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 88 85.129 15.540 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 88 85.115 16.224 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 88 84.026 14.130 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 88 84.028 13.461 -2.665 1.00 0.00 H new ATOM 1403 N PHE A 89 88.123 16.133 -3.988 1.00 0.00 N ATOM 1404 CA PHE A 89 89.267 17.073 -3.830 1.00 0.00 C ATOM 1405 C PHE A 89 88.795 18.313 -3.064 1.00 0.00 C ATOM 1406 O PHE A 89 89.565 18.972 -2.394 1.00 0.00 O ATOM 1407 CB PHE A 89 89.780 17.486 -5.211 1.00 0.00 C ATOM 1408 CG PHE A 89 90.413 16.289 -5.882 1.00 0.00 C ATOM 1409 CD1 PHE A 89 91.776 16.023 -5.706 1.00 0.00 C ATOM 1410 CD2 PHE A 89 89.631 15.440 -6.675 1.00 0.00 C ATOM 1411 CE1 PHE A 89 92.357 14.907 -6.323 1.00 0.00 C ATOM 1412 CE2 PHE A 89 90.212 14.326 -7.294 1.00 0.00 C ATOM 1413 CZ PHE A 89 91.574 14.059 -7.116 1.00 0.00 C ATOM 0 H PHE A 89 87.770 16.034 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 89 90.071 16.587 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 89 88.959 17.867 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 89 90.507 18.292 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 89 92.380 16.678 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 89 88.579 15.644 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 89 93.408 14.701 -6.187 1.00 0.00 H new ATOM 0 HE2 PHE A 89 89.609 13.674 -7.908 1.00 0.00 H new ATOM 0 HZ PHE A 89 92.022 13.198 -7.591 1.00 0.00 H new ATOM 1423 N PHE A 90 87.534 18.633 -3.167 1.00 0.00 N ATOM 1424 CA PHE A 90 86.993 19.833 -2.458 1.00 0.00 C ATOM 1425 C PHE A 90 86.531 19.433 -1.054 1.00 0.00 C ATOM 1426 O PHE A 90 86.042 20.247 -0.297 1.00 0.00 O ATOM 1427 CB PHE A 90 85.802 20.387 -3.242 1.00 0.00 C ATOM 1428 CG PHE A 90 86.240 20.698 -4.649 1.00 0.00 C ATOM 1429 CD1 PHE A 90 86.431 19.655 -5.559 1.00 0.00 C ATOM 1430 CD2 PHE A 90 86.471 22.023 -5.043 1.00 0.00 C ATOM 1431 CE1 PHE A 90 86.849 19.930 -6.863 1.00 0.00 C ATOM 1432 CE2 PHE A 90 86.891 22.299 -6.348 1.00 0.00 C ATOM 1433 CZ PHE A 90 87.080 21.254 -7.260 1.00 0.00 C ATOM 0 H PHE A 90 86.849 18.113 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 90 87.771 20.593 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 90 84.989 19.661 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 90 85.420 21.287 -2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 90 86.255 18.634 -5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 90 86.325 22.830 -4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 90 86.994 19.122 -7.565 1.00 0.00 H new ATOM 0 HE2 PHE A 90 87.070 23.320 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 90 87.403 21.468 -8.268 1.00 0.00 H new ATOM 1443 N GLU A 91 86.671 18.183 -0.707 1.00 0.00 N ATOM 1444 CA GLU A 91 86.224 17.737 0.648 1.00 0.00 C ATOM 1445 C GLU A 91 86.804 18.672 1.714 1.00 0.00 C ATOM 1446 O GLU A 91 87.991 18.934 1.750 1.00 0.00 O ATOM 1447 CB GLU A 91 86.708 16.302 0.908 1.00 0.00 C ATOM 1448 CG GLU A 91 85.893 15.671 2.046 1.00 0.00 C ATOM 1449 CD GLU A 91 86.196 16.394 3.360 1.00 0.00 C ATOM 1450 OE1 GLU A 91 87.348 16.397 3.761 1.00 0.00 O ATOM 1451 OE2 GLU A 91 85.268 16.931 3.945 1.00 0.00 O ATOM 0 H GLU A 91 87.072 17.454 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 91 85.135 17.765 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 91 86.605 15.705 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 91 87.767 16.308 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 91 84.828 15.734 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 91 86.137 14.613 2.137 1.00 0.00 H new ATOM 1458 N GLY A 92 85.970 19.171 2.588 1.00 0.00 N ATOM 1459 CA GLY A 92 86.455 20.087 3.663 1.00 0.00 C ATOM 1460 C GLY A 92 86.883 19.265 4.882 1.00 0.00 C ATOM 1461 O GLY A 92 87.798 18.469 4.816 1.00 0.00 O ATOM 0 H GLY A 92 84.968 18.982 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 92 87.294 20.680 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 92 85.667 20.787 3.942 1.00 0.00 H new ATOM 1465 N PHE A 93 86.223 19.450 5.995 1.00 0.00 N ATOM 1466 CA PHE A 93 86.586 18.678 7.217 1.00 0.00 C ATOM 1467 C PHE A 93 86.093 17.228 7.062 1.00 0.00 C ATOM 1468 O PHE A 93 85.110 16.988 6.390 1.00 0.00 O ATOM 1469 CB PHE A 93 85.905 19.317 8.433 1.00 0.00 C ATOM 1470 CG PHE A 93 86.561 20.638 8.749 1.00 0.00 C ATOM 1471 CD1 PHE A 93 87.697 20.677 9.568 1.00 0.00 C ATOM 1472 CD2 PHE A 93 86.033 21.824 8.229 1.00 0.00 C ATOM 1473 CE1 PHE A 93 88.303 21.903 9.864 1.00 0.00 C ATOM 1474 CE2 PHE A 93 86.640 23.050 8.525 1.00 0.00 C ATOM 1475 CZ PHE A 93 87.775 23.090 9.343 1.00 0.00 C ATOM 0 H PHE A 93 85.448 20.103 6.109 1.00 0.00 H new ATOM 0 HA PHE A 93 87.667 18.686 7.354 1.00 0.00 H new ATOM 0 HB2 PHE A 93 84.844 19.466 8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 93 85.975 18.651 9.293 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.105 19.762 9.971 1.00 0.00 H new ATOM 0 HD2 PHE A 93 85.156 21.794 7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 93 89.179 21.933 10.495 1.00 0.00 H new ATOM 0 HE2 PHE A 93 86.232 23.965 8.122 1.00 0.00 H new ATOM 0 HZ PHE A 93 88.243 24.036 9.572 1.00 0.00 H new ATOM 1485 N PRO A 94 86.745 16.256 7.675 1.00 0.00 N ATOM 1486 CA PRO A 94 86.288 14.840 7.557 1.00 0.00 C ATOM 1487 C PRO A 94 84.937 14.609 8.258 1.00 0.00 C ATOM 1488 O PRO A 94 84.642 15.219 9.266 1.00 0.00 O ATOM 1489 CB PRO A 94 87.423 14.069 8.257 1.00 0.00 C ATOM 1490 CG PRO A 94 88.237 15.080 9.081 1.00 0.00 C ATOM 1491 CD PRO A 94 87.964 16.481 8.511 1.00 0.00 C ATOM 0 HA PRO A 94 86.116 14.529 6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 94 87.015 13.290 8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 94 88.059 13.574 7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 94 87.952 15.033 10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 94 89.301 14.847 9.028 1.00 0.00 H new ATOM 0 HD2 PRO A 94 87.787 17.213 9.299 1.00 0.00 H new ATOM 0 HD3 PRO A 94 88.801 16.848 7.918 1.00 0.00 H new ATOM 1499 N ASP A 95 84.122 13.729 7.723 1.00 0.00 N ATOM 1500 CA ASP A 95 82.784 13.440 8.339 1.00 0.00 C ATOM 1501 C ASP A 95 82.752 11.993 8.842 1.00 0.00 C ATOM 1502 O ASP A 95 81.808 11.263 8.607 1.00 0.00 O ATOM 1503 CB ASP A 95 81.694 13.628 7.281 1.00 0.00 C ATOM 1504 CG ASP A 95 80.319 13.569 7.947 1.00 0.00 C ATOM 1505 OD1 ASP A 95 80.243 13.075 9.061 1.00 0.00 O ATOM 1506 OD2 ASP A 95 79.365 14.019 7.335 1.00 0.00 O ATOM 0 H ASP A 95 84.328 13.194 6.879 1.00 0.00 H new ATOM 0 HA ASP A 95 82.613 14.119 9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 95 81.824 14.585 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 95 81.774 12.852 6.519 1.00 0.00 H new ATOM 1511 N LYS A 96 83.778 11.573 9.531 1.00 0.00 N ATOM 1512 CA LYS A 96 83.816 10.174 10.051 1.00 0.00 C ATOM 1513 C LYS A 96 83.002 10.084 11.345 1.00 0.00 C ATOM 1514 O LYS A 96 82.749 9.013 11.860 1.00 0.00 O ATOM 1515 CB LYS A 96 85.274 9.796 10.333 1.00 0.00 C ATOM 1516 CG LYS A 96 85.390 8.298 10.630 1.00 0.00 C ATOM 1517 CD LYS A 96 86.869 7.936 10.794 1.00 0.00 C ATOM 1518 CE LYS A 96 87.011 6.442 11.092 1.00 0.00 C ATOM 1519 NZ LYS A 96 88.444 6.053 10.967 1.00 0.00 N ATOM 0 H LYS A 96 84.595 12.140 9.758 1.00 0.00 H new ATOM 0 HA LYS A 96 83.390 9.492 9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 96 85.895 10.052 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 96 85.648 10.371 11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 96 84.839 8.050 11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 96 84.948 7.718 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 96 87.417 8.188 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 96 87.308 8.520 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 96 86.648 6.223 12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 96 86.402 5.861 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 88.509 5.077 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 88.921 6.694 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 88.903 6.116 11.898 1.00 0.00 H new ATOM 1653 N ALA B 2 99.714 -1.237 -10.759 1.00 0.00 N ATOM 1654 CA ALA B 2 98.322 -1.050 -11.259 1.00 0.00 C ATOM 1655 C ALA B 2 97.378 -0.878 -10.067 1.00 0.00 C ATOM 1656 O ALA B 2 97.375 -1.674 -9.149 1.00 0.00 O ATOM 1657 CB ALA B 2 97.895 -2.282 -12.060 1.00 0.00 C ATOM 0 HA ALA B 2 98.281 -0.167 -11.897 1.00 0.00 H new ATOM 0 HB1 ALA B 2 96.877 -2.144 -12.425 1.00 0.00 H new ATOM 0 HB2 ALA B 2 98.569 -2.417 -12.906 1.00 0.00 H new ATOM 0 HB3 ALA B 2 97.935 -3.164 -11.420 1.00 0.00 H new ATOM 1663 N CYS B 3 96.575 0.153 -10.074 1.00 0.00 N ATOM 1664 CA CYS B 3 95.624 0.381 -8.943 1.00 0.00 C ATOM 1665 C CYS B 3 94.293 0.899 -9.505 1.00 0.00 C ATOM 1666 O CYS B 3 93.997 2.074 -9.411 1.00 0.00 O ATOM 1667 CB CYS B 3 96.211 1.422 -7.989 1.00 0.00 C ATOM 1668 SG CYS B 3 95.094 1.649 -6.583 1.00 0.00 S ATOM 0 H CYS B 3 96.536 0.851 -10.817 1.00 0.00 H new ATOM 0 HA CYS B 3 95.459 -0.553 -8.405 1.00 0.00 H new ATOM 0 HB2 CYS B 3 97.192 1.099 -7.640 1.00 0.00 H new ATOM 0 HB3 CYS B 3 96.354 2.369 -8.510 1.00 0.00 H new ATOM 0 HG CYS B 3 95.760 1.517 -5.474 1.00 0.00 H new ATOM 1674 N PRO B 4 93.495 0.037 -10.092 1.00 0.00 N ATOM 1675 CA PRO B 4 92.192 0.468 -10.668 1.00 0.00 C ATOM 1676 C PRO B 4 91.149 0.775 -9.581 1.00 0.00 C ATOM 1677 O PRO B 4 90.173 1.456 -9.821 1.00 0.00 O ATOM 1678 CB PRO B 4 91.791 -0.749 -11.527 1.00 0.00 C ATOM 1679 CG PRO B 4 92.729 -1.925 -11.175 1.00 0.00 C ATOM 1680 CD PRO B 4 93.829 -1.409 -10.226 1.00 0.00 C ATOM 0 HA PRO B 4 92.258 1.396 -11.235 1.00 0.00 H new ATOM 0 HB2 PRO B 4 90.753 -1.022 -11.337 1.00 0.00 H new ATOM 0 HB3 PRO B 4 91.868 -0.507 -12.587 1.00 0.00 H new ATOM 0 HG2 PRO B 4 92.166 -2.729 -10.700 1.00 0.00 H new ATOM 0 HG3 PRO B 4 93.174 -2.338 -12.080 1.00 0.00 H new ATOM 0 HD2 PRO B 4 93.806 -1.921 -9.264 1.00 0.00 H new ATOM 0 HD3 PRO B 4 94.825 -1.557 -10.642 1.00 0.00 H new ATOM 1688 N LEU B 5 91.351 0.281 -8.391 1.00 0.00 N ATOM 1689 CA LEU B 5 90.374 0.555 -7.299 1.00 0.00 C ATOM 1690 C LEU B 5 90.302 2.065 -7.090 1.00 0.00 C ATOM 1691 O LEU B 5 89.262 2.619 -6.794 1.00 0.00 O ATOM 1692 CB LEU B 5 90.828 -0.129 -6.002 1.00 0.00 C ATOM 1693 CG LEU B 5 89.819 0.140 -4.869 1.00 0.00 C ATOM 1694 CD1 LEU B 5 88.459 -0.488 -5.213 1.00 0.00 C ATOM 1695 CD2 LEU B 5 90.347 -0.480 -3.568 1.00 0.00 C ATOM 0 H LEU B 5 92.148 -0.299 -8.127 1.00 0.00 H new ATOM 0 HA LEU B 5 89.393 0.164 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU B 5 90.924 -1.203 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU B 5 91.813 0.239 -5.715 1.00 0.00 H new ATOM 0 HG LEU B 5 89.695 1.216 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU B 5 87.753 -0.292 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU B 5 88.081 -0.054 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU B 5 88.577 -1.564 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU B 5 89.638 -0.293 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU B 5 90.470 -1.555 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU B 5 91.309 -0.033 -3.316 1.00 0.00 H new ATOM 1707 N GLU B 6 91.414 2.728 -7.230 1.00 0.00 N ATOM 1708 CA GLU B 6 91.445 4.200 -7.031 1.00 0.00 C ATOM 1709 C GLU B 6 90.494 4.872 -8.026 1.00 0.00 C ATOM 1710 O GLU B 6 89.718 5.737 -7.673 1.00 0.00 O ATOM 1711 CB GLU B 6 92.872 4.682 -7.298 1.00 0.00 C ATOM 1712 CG GLU B 6 92.997 6.166 -6.958 1.00 0.00 C ATOM 1713 CD GLU B 6 94.430 6.626 -7.233 1.00 0.00 C ATOM 1714 OE1 GLU B 6 95.262 5.778 -7.509 1.00 0.00 O ATOM 1715 OE2 GLU B 6 94.672 7.819 -7.159 1.00 0.00 O ATOM 0 H GLU B 6 92.310 2.308 -7.476 1.00 0.00 H new ATOM 0 HA GLU B 6 91.137 4.451 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU B 6 93.577 4.104 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU B 6 93.130 4.518 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU B 6 92.295 6.748 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU B 6 92.743 6.334 -5.912 1.00 0.00 H new ATOM 1722 N LYS B 7 90.542 4.473 -9.264 1.00 0.00 N ATOM 1723 CA LYS B 7 89.638 5.076 -10.282 1.00 0.00 C ATOM 1724 C LYS B 7 88.232 4.601 -9.994 1.00 0.00 C ATOM 1725 O LYS B 7 87.294 5.368 -9.935 1.00 0.00 O ATOM 1726 CB LYS B 7 90.043 4.592 -11.675 1.00 0.00 C ATOM 1727 CG LYS B 7 91.552 4.744 -11.846 1.00 0.00 C ATOM 1728 CD LYS B 7 91.982 4.179 -13.211 1.00 0.00 C ATOM 1729 CE LYS B 7 93.464 3.804 -13.166 1.00 0.00 C ATOM 1730 NZ LYS B 7 94.284 5.033 -12.960 1.00 0.00 N ATOM 0 H LYS B 7 91.171 3.752 -9.617 1.00 0.00 H new ATOM 0 HA LYS B 7 89.699 6.164 -10.243 1.00 0.00 H new ATOM 0 HB2 LYS B 7 89.754 3.549 -11.808 1.00 0.00 H new ATOM 0 HB3 LYS B 7 89.520 5.168 -12.438 1.00 0.00 H new ATOM 0 HG2 LYS B 7 91.831 5.795 -11.773 1.00 0.00 H new ATOM 0 HG3 LYS B 7 92.073 4.219 -11.045 1.00 0.00 H new ATOM 0 HD2 LYS B 7 91.382 3.303 -13.459 1.00 0.00 H new ATOM 0 HD3 LYS B 7 91.807 4.917 -13.993 1.00 0.00 H new ATOM 0 HE2 LYS B 7 93.646 3.094 -12.359 1.00 0.00 H new ATOM 0 HE3 LYS B 7 93.754 3.312 -14.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 95.290 4.807 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 93.996 5.761 -13.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 94.139 5.389 -11.994 1.00 0.00 H new ATOM 1744 N ALA B 8 88.088 3.328 -9.793 1.00 0.00 N ATOM 1745 CA ALA B 8 86.746 2.789 -9.494 1.00 0.00 C ATOM 1746 C ALA B 8 86.255 3.480 -8.236 1.00 0.00 C ATOM 1747 O ALA B 8 85.111 3.867 -8.127 1.00 0.00 O ATOM 1748 CB ALA B 8 86.812 1.280 -9.293 1.00 0.00 C ATOM 0 H ALA B 8 88.841 2.640 -9.823 1.00 0.00 H new ATOM 0 HA ALA B 8 86.061 2.974 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA B 8 85.815 0.898 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA B 8 87.190 0.808 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.479 1.053 -8.461 1.00 0.00 H new ATOM 1754 N LEU B 9 87.134 3.701 -7.303 1.00 0.00 N ATOM 1755 CA LEU B 9 86.719 4.439 -6.092 1.00 0.00 C ATOM 1756 C LEU B 9 86.241 5.803 -6.566 1.00 0.00 C ATOM 1757 O LEU B 9 85.247 6.324 -6.101 1.00 0.00 O ATOM 1758 CB LEU B 9 87.913 4.599 -5.140 1.00 0.00 C ATOM 1759 CG LEU B 9 87.489 5.371 -3.881 1.00 0.00 C ATOM 1760 CD1 LEU B 9 86.427 4.578 -3.101 1.00 0.00 C ATOM 1761 CD2 LEU B 9 88.721 5.602 -2.997 1.00 0.00 C ATOM 0 H LEU B 9 88.110 3.405 -7.329 1.00 0.00 H new ATOM 0 HA LEU B 9 85.934 3.910 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.299 3.618 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU B 9 88.721 5.128 -5.645 1.00 0.00 H new ATOM 0 HG LEU B 9 87.060 6.329 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU B 9 86.136 5.137 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU B 9 85.553 4.421 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU B 9 86.838 3.613 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU B 9 88.428 6.150 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU B 9 89.149 4.641 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU B 9 89.462 6.180 -3.549 1.00 0.00 H new ATOM 1773 N ASP B 10 86.927 6.371 -7.526 1.00 0.00 N ATOM 1774 CA ASP B 10 86.484 7.685 -8.058 1.00 0.00 C ATOM 1775 C ASP B 10 85.191 7.488 -8.845 1.00 0.00 C ATOM 1776 O ASP B 10 84.349 8.361 -8.893 1.00 0.00 O ATOM 1777 CB ASP B 10 87.558 8.283 -8.969 1.00 0.00 C ATOM 1778 CG ASP B 10 87.141 9.697 -9.380 1.00 0.00 C ATOM 1779 OD1 ASP B 10 85.994 10.045 -9.153 1.00 0.00 O ATOM 1780 OD2 ASP B 10 87.974 10.406 -9.919 1.00 0.00 O ATOM 0 H ASP B 10 87.766 5.983 -7.957 1.00 0.00 H new ATOM 0 HA ASP B 10 86.315 8.372 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP B 10 88.517 8.310 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP B 10 87.690 7.659 -9.853 1.00 0.00 H new ATOM 1785 N VAL B 11 85.019 6.352 -9.472 1.00 0.00 N ATOM 1786 CA VAL B 11 83.768 6.142 -10.254 1.00 0.00 C ATOM 1787 C VAL B 11 82.567 6.253 -9.311 1.00 0.00 C ATOM 1788 O VAL B 11 81.560 6.840 -9.651 1.00 0.00 O ATOM 1789 CB VAL B 11 83.780 4.754 -10.907 1.00 0.00 C ATOM 1790 CG1 VAL B 11 82.412 4.450 -11.520 1.00 0.00 C ATOM 1791 CG2 VAL B 11 84.839 4.715 -12.008 1.00 0.00 C ATOM 0 H VAL B 11 85.679 5.574 -9.476 1.00 0.00 H new ATOM 0 HA VAL B 11 83.699 6.898 -11.036 1.00 0.00 H new ATOM 0 HB VAL B 11 84.009 4.009 -10.145 1.00 0.00 H new ATOM 0 HG11 VAL B 11 82.431 3.462 -11.981 1.00 0.00 H new ATOM 0 HG12 VAL B 11 81.651 4.472 -10.740 1.00 0.00 H new ATOM 0 HG13 VAL B 11 82.178 5.199 -12.276 1.00 0.00 H new ATOM 0 HG21 VAL B 11 84.846 3.728 -12.471 1.00 0.00 H new ATOM 0 HG22 VAL B 11 84.608 5.468 -12.762 1.00 0.00 H new ATOM 0 HG23 VAL B 11 85.819 4.921 -11.578 1.00 0.00 H new ATOM 1801 N MET B 12 82.656 5.704 -8.127 1.00 0.00 N ATOM 1802 CA MET B 12 81.501 5.808 -7.193 1.00 0.00 C ATOM 1803 C MET B 12 81.234 7.284 -6.898 1.00 0.00 C ATOM 1804 O MET B 12 80.106 7.721 -6.817 1.00 0.00 O ATOM 1805 CB MET B 12 81.791 5.054 -5.892 1.00 0.00 C ATOM 1806 CG MET B 12 80.579 5.169 -4.958 1.00 0.00 C ATOM 1807 SD MET B 12 80.593 3.806 -3.768 1.00 0.00 S ATOM 1808 CE MET B 12 82.174 4.180 -2.978 1.00 0.00 C ATOM 0 H MET B 12 83.466 5.196 -7.772 1.00 0.00 H new ATOM 0 HA MET B 12 80.622 5.359 -7.655 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.002 4.006 -6.105 1.00 0.00 H new ATOM 0 HB3 MET B 12 82.677 5.466 -5.409 1.00 0.00 H new ATOM 0 HG2 MET B 12 80.602 6.124 -4.432 1.00 0.00 H new ATOM 0 HG3 MET B 12 79.657 5.148 -5.539 1.00 0.00 H new ATOM 0 HE1 MET B 12 82.231 3.667 -2.018 1.00 0.00 H new ATOM 0 HE2 MET B 12 82.989 3.843 -3.618 1.00 0.00 H new ATOM 0 HE3 MET B 12 82.257 5.255 -2.820 1.00 0.00 H new ATOM 1818 N VAL B 13 82.268 8.057 -6.728 1.00 0.00 N ATOM 1819 CA VAL B 13 82.078 9.506 -6.442 1.00 0.00 C ATOM 1820 C VAL B 13 81.803 10.271 -7.740 1.00 0.00 C ATOM 1821 O VAL B 13 80.978 11.160 -7.782 1.00 0.00 O ATOM 1822 CB VAL B 13 83.337 10.052 -5.765 1.00 0.00 C ATOM 1823 CG1 VAL B 13 83.150 11.546 -5.472 1.00 0.00 C ATOM 1824 CG2 VAL B 13 83.590 9.274 -4.449 1.00 0.00 C ATOM 0 H VAL B 13 83.239 7.748 -6.775 1.00 0.00 H new ATOM 0 HA VAL B 13 81.222 9.636 -5.779 1.00 0.00 H new ATOM 0 HB VAL B 13 84.197 9.925 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL B 13 84.046 11.937 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL B 13 82.978 12.081 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL B 13 82.293 11.683 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL B 13 84.486 9.661 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL B 13 82.736 9.397 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL B 13 83.726 8.216 -4.672 1.00 0.00 H new ATOM 1834 N SER B 14 82.498 9.950 -8.797 1.00 0.00 N ATOM 1835 CA SER B 14 82.274 10.682 -10.079 1.00 0.00 C ATOM 1836 C SER B 14 80.821 10.515 -10.541 1.00 0.00 C ATOM 1837 O SER B 14 80.181 11.462 -10.953 1.00 0.00 O ATOM 1838 CB SER B 14 83.226 10.146 -11.148 1.00 0.00 C ATOM 1839 OG SER B 14 83.135 10.965 -12.306 1.00 0.00 O ATOM 0 H SER B 14 83.207 9.218 -8.830 1.00 0.00 H new ATOM 0 HA SER B 14 82.469 11.743 -9.920 1.00 0.00 H new ATOM 0 HB2 SER B 14 84.249 10.140 -10.771 1.00 0.00 H new ATOM 0 HB3 SER B 14 82.971 9.115 -11.396 1.00 0.00 H new ATOM 0 HG SER B 14 83.745 10.627 -12.995 1.00 0.00 H new ATOM 1845 N THR B 15 80.289 9.322 -10.474 1.00 0.00 N ATOM 1846 CA THR B 15 78.872 9.114 -10.907 1.00 0.00 C ATOM 1847 C THR B 15 77.947 9.953 -10.019 1.00 0.00 C ATOM 1848 O THR B 15 76.983 10.541 -10.470 1.00 0.00 O ATOM 1849 CB THR B 15 78.523 7.618 -10.806 1.00 0.00 C ATOM 1850 OG1 THR B 15 77.477 7.319 -11.716 1.00 0.00 O ATOM 1851 CG2 THR B 15 78.084 7.243 -9.386 1.00 0.00 C ATOM 0 H THR B 15 80.770 8.487 -10.141 1.00 0.00 H new ATOM 0 HA THR B 15 78.743 9.430 -11.942 1.00 0.00 H new ATOM 0 HB THR B 15 79.414 7.041 -11.051 1.00 0.00 H new ATOM 0 HG1 THR B 15 77.361 6.348 -11.773 1.00 0.00 H new ATOM 0 HG21 THR B 15 77.845 6.180 -9.348 1.00 0.00 H new ATOM 0 HG22 THR B 15 78.892 7.458 -8.687 1.00 0.00 H new ATOM 0 HG23 THR B 15 77.203 7.823 -9.112 1.00 0.00 H new ATOM 1859 N PHE B 16 78.249 9.996 -8.756 1.00 0.00 N ATOM 1860 CA PHE B 16 77.419 10.773 -7.794 1.00 0.00 C ATOM 1861 C PHE B 16 77.386 12.239 -8.243 1.00 0.00 C ATOM 1862 O PHE B 16 76.365 12.896 -8.184 1.00 0.00 O ATOM 1863 CB PHE B 16 78.070 10.669 -6.410 1.00 0.00 C ATOM 1864 CG PHE B 16 77.238 11.383 -5.369 1.00 0.00 C ATOM 1865 CD1 PHE B 16 77.305 12.776 -5.254 1.00 0.00 C ATOM 1866 CD2 PHE B 16 76.419 10.647 -4.503 1.00 0.00 C ATOM 1867 CE1 PHE B 16 76.550 13.434 -4.275 1.00 0.00 C ATOM 1868 CE2 PHE B 16 75.664 11.305 -3.526 1.00 0.00 C ATOM 1869 CZ PHE B 16 75.729 12.699 -3.412 1.00 0.00 C ATOM 0 H PHE B 16 79.049 9.518 -8.340 1.00 0.00 H new ATOM 0 HA PHE B 16 76.401 10.385 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE B 16 78.183 9.620 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE B 16 79.071 11.100 -6.441 1.00 0.00 H new ATOM 0 HD1 PHE B 16 77.939 13.343 -5.920 1.00 0.00 H new ATOM 0 HD2 PHE B 16 76.370 9.572 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE B 16 76.601 14.509 -4.186 1.00 0.00 H new ATOM 0 HE2 PHE B 16 75.031 10.738 -2.860 1.00 0.00 H new ATOM 0 HZ PHE B 16 75.146 13.207 -2.658 1.00 0.00 H new ATOM 1879 N HIS B 17 78.497 12.748 -8.699 1.00 0.00 N ATOM 1880 CA HIS B 17 78.549 14.162 -9.168 1.00 0.00 C ATOM 1881 C HIS B 17 77.569 14.360 -10.327 1.00 0.00 C ATOM 1882 O HIS B 17 76.959 15.402 -10.455 1.00 0.00 O ATOM 1883 CB HIS B 17 79.971 14.507 -9.631 1.00 0.00 C ATOM 1884 CG HIS B 17 80.840 14.789 -8.436 1.00 0.00 C ATOM 1885 ND1 HIS B 17 80.856 13.962 -7.322 1.00 0.00 N ATOM 1886 CD2 HIS B 17 81.725 15.803 -8.166 1.00 0.00 C ATOM 1887 CE1 HIS B 17 81.726 14.490 -6.440 1.00 0.00 C ATOM 1888 NE2 HIS B 17 82.279 15.610 -6.907 1.00 0.00 N ATOM 0 H HIS B 17 79.379 12.240 -8.767 1.00 0.00 H new ATOM 0 HA HIS B 17 78.271 14.820 -8.345 1.00 0.00 H new ATOM 0 HB2 HIS B 17 80.386 13.681 -10.208 1.00 0.00 H new ATOM 0 HB3 HIS B 17 79.949 15.375 -10.289 1.00 0.00 H new ATOM 0 HD1 HIS B 17 80.309 13.110 -7.195 1.00 0.00 H new ATOM 0 HD2 HIS B 17 81.955 16.624 -8.830 1.00 0.00 H new ATOM 0 HE1 HIS B 17 81.948 14.060 -5.475 1.00 0.00 H new ATOM 1897 N LYS B 18 77.413 13.382 -11.180 1.00 0.00 N ATOM 1898 CA LYS B 18 76.472 13.565 -12.319 1.00 0.00 C ATOM 1899 C LYS B 18 75.107 13.903 -11.735 1.00 0.00 C ATOM 1900 O LYS B 18 74.413 14.779 -12.213 1.00 0.00 O ATOM 1901 CB LYS B 18 76.390 12.280 -13.148 1.00 0.00 C ATOM 1902 CG LYS B 18 75.569 12.549 -14.411 1.00 0.00 C ATOM 1903 CD LYS B 18 75.480 11.274 -15.250 1.00 0.00 C ATOM 1904 CE LYS B 18 74.724 11.572 -16.546 1.00 0.00 C ATOM 1905 NZ LYS B 18 73.264 11.675 -16.258 1.00 0.00 N ATOM 0 H LYS B 18 77.888 12.480 -11.138 1.00 0.00 H new ATOM 0 HA LYS B 18 76.816 14.365 -12.975 1.00 0.00 H new ATOM 0 HB2 LYS B 18 77.391 11.941 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS B 18 75.929 11.484 -12.563 1.00 0.00 H new ATOM 0 HG2 LYS B 18 74.569 12.888 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS B 18 76.030 13.347 -14.993 1.00 0.00 H new ATOM 0 HD2 LYS B 18 76.480 10.903 -15.476 1.00 0.00 H new ATOM 0 HD3 LYS B 18 74.969 10.491 -14.689 1.00 0.00 H new ATOM 0 HE2 LYS B 18 75.085 12.502 -16.985 1.00 0.00 H new ATOM 0 HE3 LYS B 18 74.907 10.783 -17.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 72.738 11.742 -17.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 72.953 10.831 -15.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 73.082 12.524 -15.685 1.00 0.00 H new ATOM 1919 N TYR B 19 74.743 13.258 -10.664 1.00 0.00 N ATOM 1920 CA TYR B 19 73.453 13.588 -10.004 1.00 0.00 C ATOM 1921 C TYR B 19 73.594 14.965 -9.366 1.00 0.00 C ATOM 1922 O TYR B 19 72.660 15.732 -9.301 1.00 0.00 O ATOM 1923 CB TYR B 19 73.144 12.543 -8.929 1.00 0.00 C ATOM 1924 CG TYR B 19 72.780 11.235 -9.593 1.00 0.00 C ATOM 1925 CD1 TYR B 19 71.447 10.977 -9.937 1.00 0.00 C ATOM 1926 CD2 TYR B 19 73.772 10.288 -9.872 1.00 0.00 C ATOM 1927 CE1 TYR B 19 71.105 9.769 -10.558 1.00 0.00 C ATOM 1928 CE2 TYR B 19 73.431 9.081 -10.494 1.00 0.00 C ATOM 1929 CZ TYR B 19 72.098 8.823 -10.837 1.00 0.00 C ATOM 1930 OH TYR B 19 71.763 7.634 -11.451 1.00 0.00 O ATOM 0 H TYR B 19 75.283 12.517 -10.218 1.00 0.00 H new ATOM 0 HA TYR B 19 72.640 13.589 -10.730 1.00 0.00 H new ATOM 0 HB2 TYR B 19 74.009 12.406 -8.280 1.00 0.00 H new ATOM 0 HB3 TYR B 19 72.323 12.885 -8.299 1.00 0.00 H new ATOM 0 HD1 TYR B 19 70.683 11.710 -9.723 1.00 0.00 H new ATOM 0 HD2 TYR B 19 74.800 10.488 -9.608 1.00 0.00 H new ATOM 0 HE1 TYR B 19 70.077 9.568 -10.821 1.00 0.00 H new ATOM 0 HE2 TYR B 19 74.196 8.349 -10.709 1.00 0.00 H new ATOM 0 HH TYR B 19 72.358 7.481 -12.215 1.00 0.00 H new ATOM 1940 N SER B 20 74.765 15.283 -8.885 1.00 0.00 N ATOM 1941 CA SER B 20 74.965 16.609 -8.242 1.00 0.00 C ATOM 1942 C SER B 20 73.874 16.814 -7.196 1.00 0.00 C ATOM 1943 O SER B 20 73.692 17.894 -6.673 1.00 0.00 O ATOM 1944 CB SER B 20 74.873 17.714 -9.295 1.00 0.00 C ATOM 1945 OG SER B 20 76.035 17.682 -10.114 1.00 0.00 O ATOM 0 H SER B 20 75.589 14.682 -8.910 1.00 0.00 H new ATOM 0 HA SER B 20 75.948 16.646 -7.772 1.00 0.00 H new ATOM 0 HB2 SER B 20 73.980 17.577 -9.905 1.00 0.00 H new ATOM 0 HB3 SER B 20 74.782 18.686 -8.811 1.00 0.00 H new ATOM 0 HG SER B 20 76.135 16.789 -10.505 1.00 0.00 H new ATOM 1951 N GLY B 21 73.140 15.779 -6.896 1.00 0.00 N ATOM 1952 CA GLY B 21 72.053 15.910 -5.889 1.00 0.00 C ATOM 1953 C GLY B 21 70.939 16.777 -6.472 1.00 0.00 C ATOM 1954 O GLY B 21 70.697 17.879 -6.027 1.00 0.00 O ATOM 0 H GLY B 21 73.246 14.850 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY B 21 71.665 14.927 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY B 21 72.439 16.358 -4.974 1.00 0.00 H new ATOM 1958 N LYS B 22 70.264 16.287 -7.470 1.00 0.00 N ATOM 1959 CA LYS B 22 69.169 17.079 -8.091 1.00 0.00 C ATOM 1960 C LYS B 22 68.111 17.378 -7.030 1.00 0.00 C ATOM 1961 O LYS B 22 67.572 18.466 -6.968 1.00 0.00 O ATOM 1962 CB LYS B 22 68.554 16.254 -9.221 1.00 0.00 C ATOM 1963 CG LYS B 22 69.634 15.964 -10.264 1.00 0.00 C ATOM 1964 CD LYS B 22 69.055 15.135 -11.414 1.00 0.00 C ATOM 1965 CE LYS B 22 68.558 13.775 -10.890 1.00 0.00 C ATOM 1966 NZ LYS B 22 67.114 13.879 -10.532 1.00 0.00 N ATOM 0 H LYS B 22 70.423 15.369 -7.885 1.00 0.00 H new ATOM 0 HA LYS B 22 69.553 18.018 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS B 22 68.148 15.322 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS B 22 67.725 16.796 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS B 22 70.038 16.900 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS B 22 70.462 15.427 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS B 22 68.233 15.675 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS B 22 69.815 14.982 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS B 22 68.701 13.006 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS B 22 69.139 13.474 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 66.992 13.676 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 66.774 14.841 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 66.567 13.193 -11.091 1.00 0.00 H new ATOM 1980 N GLU B 23 67.819 16.418 -6.187 1.00 0.00 N ATOM 1981 CA GLU B 23 66.805 16.627 -5.107 1.00 0.00 C ATOM 1982 C GLU B 23 67.509 16.672 -3.753 1.00 0.00 C ATOM 1983 O GLU B 23 68.439 15.933 -3.494 1.00 0.00 O ATOM 1984 CB GLU B 23 65.799 15.475 -5.106 1.00 0.00 C ATOM 1985 CG GLU B 23 64.701 15.761 -4.077 1.00 0.00 C ATOM 1986 CD GLU B 23 63.688 14.617 -4.075 1.00 0.00 C ATOM 1987 OE1 GLU B 23 63.807 13.745 -4.919 1.00 0.00 O ATOM 1988 OE2 GLU B 23 62.811 14.632 -3.227 1.00 0.00 O ATOM 0 H GLU B 23 68.244 15.491 -6.201 1.00 0.00 H new ATOM 0 HA GLU B 23 66.282 17.566 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU B 23 65.362 15.358 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU B 23 66.302 14.538 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU B 23 65.139 15.874 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU B 23 64.203 16.701 -4.314 1.00 0.00 H new ATOM 1995 N GLY B 24 67.063 17.532 -2.886 1.00 0.00 N ATOM 1996 CA GLY B 24 67.685 17.634 -1.537 1.00 0.00 C ATOM 1997 C GLY B 24 68.966 18.464 -1.610 1.00 0.00 C ATOM 1998 O GLY B 24 69.247 19.114 -2.598 1.00 0.00 O ATOM 0 H GLY B 24 66.289 18.174 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY B 24 66.985 18.093 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY B 24 67.909 16.638 -1.155 1.00 0.00 H new ATOM 2002 N ASP B 25 69.742 18.448 -0.560 1.00 0.00 N ATOM 2003 CA ASP B 25 71.008 19.235 -0.540 1.00 0.00 C ATOM 2004 C ASP B 25 72.054 18.572 -1.427 1.00 0.00 C ATOM 2005 O ASP B 25 72.072 17.371 -1.611 1.00 0.00 O ATOM 2006 CB ASP B 25 71.519 19.333 0.896 1.00 0.00 C ATOM 2007 CG ASP B 25 70.587 20.242 1.700 1.00 0.00 C ATOM 2008 OD1 ASP B 25 69.834 20.979 1.084 1.00 0.00 O ATOM 2009 OD2 ASP B 25 70.636 20.182 2.917 1.00 0.00 O ATOM 0 H ASP B 25 69.551 17.919 0.291 1.00 0.00 H new ATOM 0 HA ASP B 25 70.816 20.237 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP B 25 71.560 18.342 1.349 1.00 0.00 H new ATOM 0 HB3 ASP B 25 72.534 19.731 0.907 1.00 0.00 H new ATOM 2014 N LYS B 26 72.923 19.364 -1.983 1.00 0.00 N ATOM 2015 CA LYS B 26 73.985 18.828 -2.872 1.00 0.00 C ATOM 2016 C LYS B 26 74.957 17.991 -2.046 1.00 0.00 C ATOM 2017 O LYS B 26 75.793 17.286 -2.571 1.00 0.00 O ATOM 2018 CB LYS B 26 74.714 20.015 -3.519 1.00 0.00 C ATOM 2019 CG LYS B 26 75.755 19.532 -4.538 1.00 0.00 C ATOM 2020 CD LYS B 26 76.460 20.743 -5.168 1.00 0.00 C ATOM 2021 CE LYS B 26 75.514 21.482 -6.124 1.00 0.00 C ATOM 2022 NZ LYS B 26 76.316 22.308 -7.069 1.00 0.00 N ATOM 0 H LYS B 26 72.942 20.376 -1.857 1.00 0.00 H new ATOM 0 HA LYS B 26 73.556 18.195 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS B 26 73.991 20.665 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS B 26 75.203 20.610 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS B 26 76.485 18.887 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS B 26 75.272 18.936 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS B 26 76.798 21.422 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS B 26 77.347 20.413 -5.708 1.00 0.00 H new ATOM 0 HE2 LYS B 26 74.904 20.767 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS B 26 74.830 22.116 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 75.678 22.810 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 76.880 22.999 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 76.951 21.692 -7.615 1.00 0.00 H new ATOM 2036 N PHE B 27 74.856 18.061 -0.748 1.00 0.00 N ATOM 2037 CA PHE B 27 75.792 17.266 0.110 1.00 0.00 C ATOM 2038 C PHE B 27 75.212 15.877 0.391 1.00 0.00 C ATOM 2039 O PHE B 27 75.844 15.051 1.018 1.00 0.00 O ATOM 2040 CB PHE B 27 76.010 17.993 1.439 1.00 0.00 C ATOM 2041 CG PHE B 27 76.822 19.241 1.204 1.00 0.00 C ATOM 2042 CD1 PHE B 27 78.220 19.180 1.237 1.00 0.00 C ATOM 2043 CD2 PHE B 27 76.179 20.459 0.957 1.00 0.00 C ATOM 2044 CE1 PHE B 27 78.976 20.337 1.020 1.00 0.00 C ATOM 2045 CE2 PHE B 27 76.936 21.618 0.741 1.00 0.00 C ATOM 2046 CZ PHE B 27 78.335 21.555 0.772 1.00 0.00 C ATOM 0 H PHE B 27 74.174 18.627 -0.243 1.00 0.00 H new ATOM 0 HA PHE B 27 76.740 17.157 -0.417 1.00 0.00 H new ATOM 0 HB2 PHE B 27 75.050 18.250 1.886 1.00 0.00 H new ATOM 0 HB3 PHE B 27 76.525 17.339 2.143 1.00 0.00 H new ATOM 0 HD1 PHE B 27 78.715 18.240 1.430 1.00 0.00 H new ATOM 0 HD2 PHE B 27 75.100 20.506 0.933 1.00 0.00 H new ATOM 0 HE1 PHE B 27 80.055 20.290 1.044 1.00 0.00 H new ATOM 0 HE2 PHE B 27 76.441 22.559 0.551 1.00 0.00 H new ATOM 0 HZ PHE B 27 78.919 22.448 0.604 1.00 0.00 H new ATOM 2056 N LYS B 28 74.015 15.609 -0.055 1.00 0.00 N ATOM 2057 CA LYS B 28 73.415 14.265 0.212 1.00 0.00 C ATOM 2058 C LYS B 28 72.211 14.038 -0.711 1.00 0.00 C ATOM 2059 O LYS B 28 71.771 14.946 -1.386 1.00 0.00 O ATOM 2060 CB LYS B 28 73.005 14.179 1.688 1.00 0.00 C ATOM 2061 CG LYS B 28 72.090 15.352 2.064 1.00 0.00 C ATOM 2062 CD LYS B 28 72.101 15.534 3.586 1.00 0.00 C ATOM 2063 CE LYS B 28 70.983 16.489 4.010 1.00 0.00 C ATOM 2064 NZ LYS B 28 70.820 16.424 5.490 1.00 0.00 N ATOM 0 H LYS B 28 73.430 16.253 -0.587 1.00 0.00 H new ATOM 0 HA LYS B 28 74.147 13.484 0.008 1.00 0.00 H new ATOM 0 HB2 LYS B 28 72.491 13.236 1.874 1.00 0.00 H new ATOM 0 HB3 LYS B 28 73.894 14.187 2.319 1.00 0.00 H new ATOM 0 HG2 LYS B 28 72.430 16.265 1.574 1.00 0.00 H new ATOM 0 HG3 LYS B 28 71.075 15.162 1.716 1.00 0.00 H new ATOM 0 HD2 LYS B 28 71.971 14.569 4.076 1.00 0.00 H new ATOM 0 HD3 LYS B 28 73.066 15.927 3.906 1.00 0.00 H new ATOM 0 HE2 LYS B 28 71.222 17.507 3.703 1.00 0.00 H new ATOM 0 HE3 LYS B 28 70.050 16.218 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 70.061 17.071 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 70.575 15.453 5.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 71.710 16.702 5.950 1.00 0.00 H new ATOM 2078 N LEU B 29 71.670 12.832 -0.751 1.00 0.00 N ATOM 2079 CA LEU B 29 70.490 12.558 -1.638 1.00 0.00 C ATOM 2080 C LEU B 29 69.287 12.228 -0.765 1.00 0.00 C ATOM 2081 O LEU B 29 69.415 12.003 0.418 1.00 0.00 O ATOM 2082 CB LEU B 29 70.753 11.349 -2.546 1.00 0.00 C ATOM 2083 CG LEU B 29 72.140 11.419 -3.176 1.00 0.00 C ATOM 2084 CD1 LEU B 29 72.402 10.095 -3.900 1.00 0.00 C ATOM 2085 CD2 LEU B 29 72.203 12.575 -4.180 1.00 0.00 C ATOM 0 H LEU B 29 71.997 12.032 -0.208 1.00 0.00 H new ATOM 0 HA LEU B 29 70.311 13.440 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU B 29 70.660 10.430 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU B 29 69.997 11.309 -3.330 1.00 0.00 H new ATOM 0 HG LEU B 29 72.892 11.587 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU B 29 73.390 10.121 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU B 29 72.356 9.274 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU B 29 71.647 9.947 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU B 29 73.197 12.617 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU B 29 71.462 12.417 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU B 29 71.995 13.514 -3.667 1.00 0.00 H new ATOM 2097 N ASN B 30 68.123 12.175 -1.346 1.00 0.00 N ATOM 2098 CA ASN B 30 66.906 11.832 -0.563 1.00 0.00 C ATOM 2099 C ASN B 30 66.609 10.341 -0.752 1.00 0.00 C ATOM 2100 O ASN B 30 66.755 9.803 -1.827 1.00 0.00 O ATOM 2101 CB ASN B 30 65.719 12.649 -1.070 1.00 0.00 C ATOM 2102 CG ASN B 30 64.542 12.491 -0.108 1.00 0.00 C ATOM 2103 OD1 ASN B 30 63.698 11.636 -0.295 1.00 0.00 O ATOM 2104 ND2 ASN B 30 64.450 13.280 0.925 1.00 0.00 N ATOM 0 H ASN B 30 67.961 12.356 -2.337 1.00 0.00 H new ATOM 0 HA ASN B 30 67.070 12.055 0.491 1.00 0.00 H new ATOM 0 HB2 ASN B 30 65.996 13.700 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN B 30 65.434 12.315 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN B 30 63.671 13.180 1.575 1.00 0.00 H new ATOM 0 HD22 ASN B 30 65.157 13.998 1.083 1.00 0.00 H new ATOM 2111 N LYS B 31 66.200 9.679 0.288 1.00 0.00 N ATOM 2112 CA LYS B 31 65.887 8.222 0.207 1.00 0.00 C ATOM 2113 C LYS B 31 65.143 7.904 -1.090 1.00 0.00 C ATOM 2114 O LYS B 31 65.283 6.845 -1.650 1.00 0.00 O ATOM 2115 CB LYS B 31 65.017 7.825 1.404 1.00 0.00 C ATOM 2116 CG LYS B 31 63.838 8.797 1.543 1.00 0.00 C ATOM 2117 CD LYS B 31 63.068 8.489 2.829 1.00 0.00 C ATOM 2118 CE LYS B 31 61.782 9.316 2.864 1.00 0.00 C ATOM 2119 NZ LYS B 31 62.122 10.766 2.780 1.00 0.00 N ATOM 0 H LYS B 31 66.065 10.091 1.211 1.00 0.00 H new ATOM 0 HA LYS B 31 66.821 7.659 0.221 1.00 0.00 H new ATOM 0 HB2 LYS B 31 64.647 6.808 1.273 1.00 0.00 H new ATOM 0 HB3 LYS B 31 65.614 7.832 2.316 1.00 0.00 H new ATOM 0 HG2 LYS B 31 64.201 9.825 1.562 1.00 0.00 H new ATOM 0 HG3 LYS B 31 63.177 8.708 0.681 1.00 0.00 H new ATOM 0 HD2 LYS B 31 62.831 7.426 2.878 1.00 0.00 H new ATOM 0 HD3 LYS B 31 63.684 8.718 3.698 1.00 0.00 H new ATOM 0 HE2 LYS B 31 61.133 9.035 2.034 1.00 0.00 H new ATOM 0 HE3 LYS B 31 61.231 9.113 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 61.306 11.332 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 62.936 10.968 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 62.362 11.010 1.798 1.00 0.00 H new ATOM 2133 N SER B 32 64.374 8.807 -1.597 1.00 0.00 N ATOM 2134 CA SER B 32 63.676 8.507 -2.873 1.00 0.00 C ATOM 2135 C SER B 32 64.742 8.230 -3.916 1.00 0.00 C ATOM 2136 O SER B 32 64.627 7.335 -4.729 1.00 0.00 O ATOM 2137 CB SER B 32 62.834 9.684 -3.328 1.00 0.00 C ATOM 2138 OG SER B 32 61.765 9.888 -2.412 1.00 0.00 O ATOM 0 H SER B 32 64.195 9.728 -1.197 1.00 0.00 H new ATOM 0 HA SER B 32 63.013 7.653 -2.735 1.00 0.00 H new ATOM 0 HB2 SER B 32 63.449 10.582 -3.390 1.00 0.00 H new ATOM 0 HB3 SER B 32 62.440 9.498 -4.327 1.00 0.00 H new ATOM 0 HG SER B 32 61.223 10.650 -2.706 1.00 0.00 H new ATOM 2144 N GLU B 33 65.798 8.992 -3.874 1.00 0.00 N ATOM 2145 CA GLU B 33 66.901 8.779 -4.837 1.00 0.00 C ATOM 2146 C GLU B 33 67.429 7.392 -4.620 1.00 0.00 C ATOM 2147 O GLU B 33 67.986 6.794 -5.509 1.00 0.00 O ATOM 2148 CB GLU B 33 68.011 9.805 -4.617 1.00 0.00 C ATOM 2149 CG GLU B 33 67.514 11.185 -5.045 1.00 0.00 C ATOM 2150 CD GLU B 33 67.330 11.208 -6.564 1.00 0.00 C ATOM 2151 OE1 GLU B 33 68.093 10.541 -7.242 1.00 0.00 O ATOM 2152 OE2 GLU B 33 66.427 11.888 -7.021 1.00 0.00 O ATOM 0 H GLU B 33 65.941 9.754 -3.211 1.00 0.00 H new ATOM 0 HA GLU B 33 66.539 8.898 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU B 33 68.305 9.821 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU B 33 68.896 9.530 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU B 33 66.571 11.414 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU B 33 68.228 11.951 -4.742 1.00 0.00 H new ATOM 2159 N LEU B 34 67.246 6.843 -3.458 1.00 0.00 N ATOM 2160 CA LEU B 34 67.747 5.465 -3.273 1.00 0.00 C ATOM 2161 C LEU B 34 67.033 4.594 -4.294 1.00 0.00 C ATOM 2162 O LEU B 34 67.633 3.747 -4.913 1.00 0.00 O ATOM 2163 CB LEU B 34 67.499 4.970 -1.825 1.00 0.00 C ATOM 2164 CG LEU B 34 68.004 3.523 -1.590 1.00 0.00 C ATOM 2165 CD1 LEU B 34 67.012 2.477 -2.159 1.00 0.00 C ATOM 2166 CD2 LEU B 34 69.379 3.330 -2.232 1.00 0.00 C ATOM 0 H LEU B 34 66.787 7.272 -2.654 1.00 0.00 H new ATOM 0 HA LEU B 34 68.825 5.420 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU B 34 67.997 5.642 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU B 34 66.432 5.017 -1.607 1.00 0.00 H new ATOM 0 HG LEU B 34 68.081 3.371 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU B 34 67.397 1.474 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU B 34 66.045 2.589 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU B 34 66.895 2.632 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU B 34 69.721 2.310 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU B 34 69.309 3.512 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU B 34 70.088 4.030 -1.791 1.00 0.00 H new ATOM 2178 N LYS B 35 65.762 4.815 -4.517 1.00 0.00 N ATOM 2179 CA LYS B 35 65.062 3.992 -5.544 1.00 0.00 C ATOM 2180 C LYS B 35 65.480 4.445 -6.948 1.00 0.00 C ATOM 2181 O LYS B 35 65.830 3.642 -7.789 1.00 0.00 O ATOM 2182 CB LYS B 35 63.545 4.147 -5.388 1.00 0.00 C ATOM 2183 CG LYS B 35 62.811 3.303 -6.438 1.00 0.00 C ATOM 2184 CD LYS B 35 61.305 3.496 -6.269 1.00 0.00 C ATOM 2185 CE LYS B 35 60.559 2.673 -7.322 1.00 0.00 C ATOM 2186 NZ LYS B 35 59.092 2.750 -7.070 1.00 0.00 N ATOM 0 H LYS B 35 65.191 5.514 -4.043 1.00 0.00 H new ATOM 0 HA LYS B 35 65.335 2.946 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS B 35 63.242 3.838 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS B 35 63.267 5.195 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS B 35 63.118 3.600 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS B 35 63.071 2.251 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS B 35 60.999 3.188 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS B 35 61.050 4.551 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS B 35 60.787 3.048 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS B 35 60.890 1.635 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 58.581 2.697 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 58.802 1.958 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 58.868 3.649 -6.598 1.00 0.00 H new ATOM 2200 N GLU B 36 65.427 5.723 -7.213 1.00 0.00 N ATOM 2201 CA GLU B 36 65.803 6.220 -8.570 1.00 0.00 C ATOM 2202 C GLU B 36 67.299 6.044 -8.820 1.00 0.00 C ATOM 2203 O GLU B 36 67.712 5.692 -9.906 1.00 0.00 O ATOM 2204 CB GLU B 36 65.414 7.698 -8.709 1.00 0.00 C ATOM 2205 CG GLU B 36 65.869 8.239 -10.067 1.00 0.00 C ATOM 2206 CD GLU B 36 65.346 9.665 -10.250 1.00 0.00 C ATOM 2207 OE1 GLU B 36 64.552 10.093 -9.429 1.00 0.00 O ATOM 2208 OE2 GLU B 36 65.750 10.304 -11.207 1.00 0.00 O ATOM 0 H GLU B 36 65.140 6.444 -6.551 1.00 0.00 H new ATOM 0 HA GLU B 36 65.263 5.634 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU B 36 64.334 7.808 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU B 36 65.870 8.279 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU B 36 66.957 8.229 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU B 36 65.499 7.599 -10.868 1.00 0.00 H new ATOM 2215 N LEU B 37 68.125 6.290 -7.843 1.00 0.00 N ATOM 2216 CA LEU B 37 69.581 6.131 -8.078 1.00 0.00 C ATOM 2217 C LEU B 37 69.863 4.667 -8.370 1.00 0.00 C ATOM 2218 O LEU B 37 70.725 4.333 -9.159 1.00 0.00 O ATOM 2219 CB LEU B 37 70.367 6.587 -6.841 1.00 0.00 C ATOM 2220 CG LEU B 37 71.879 6.435 -7.069 1.00 0.00 C ATOM 2221 CD1 LEU B 37 72.341 7.347 -8.217 1.00 0.00 C ATOM 2222 CD2 LEU B 37 72.612 6.821 -5.780 1.00 0.00 C ATOM 0 H LEU B 37 67.858 6.590 -6.905 1.00 0.00 H new ATOM 0 HA LEU B 37 69.892 6.744 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU B 37 70.131 7.627 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU B 37 70.064 5.999 -5.975 1.00 0.00 H new ATOM 0 HG LEU B 37 72.103 5.402 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU B 37 73.414 7.228 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU B 37 71.815 7.075 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU B 37 72.122 8.385 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU B 37 73.687 6.718 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU B 37 72.379 7.855 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU B 37 72.293 6.166 -4.970 1.00 0.00 H new ATOM 2234 N LEU B 38 69.162 3.780 -7.721 1.00 0.00 N ATOM 2235 CA LEU B 38 69.433 2.330 -7.962 1.00 0.00 C ATOM 2236 C LEU B 38 69.090 1.931 -9.398 1.00 0.00 C ATOM 2237 O LEU B 38 69.893 1.345 -10.088 1.00 0.00 O ATOM 2238 CB LEU B 38 68.612 1.472 -6.966 1.00 0.00 C ATOM 2239 CG LEU B 38 69.534 0.803 -5.924 1.00 0.00 C ATOM 2240 CD1 LEU B 38 70.356 -0.315 -6.597 1.00 0.00 C ATOM 2241 CD2 LEU B 38 70.480 1.854 -5.289 1.00 0.00 C ATOM 0 H LEU B 38 68.426 3.987 -7.046 1.00 0.00 H new ATOM 0 HA LEU B 38 70.497 2.153 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU B 38 67.878 2.099 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU B 38 68.057 0.708 -7.510 1.00 0.00 H new ATOM 0 HG LEU B 38 68.920 0.368 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU B 38 71.005 -0.784 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU B 38 69.681 -1.062 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU B 38 70.964 0.111 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU B 38 71.124 1.368 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU B 38 71.094 2.308 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU B 38 69.888 2.626 -4.797 1.00 0.00 H new ATOM 2253 N THR B 39 67.912 2.208 -9.855 1.00 0.00 N ATOM 2254 CA THR B 39 67.571 1.786 -11.236 1.00 0.00 C ATOM 2255 C THR B 39 68.412 2.558 -12.253 1.00 0.00 C ATOM 2256 O THR B 39 68.714 2.064 -13.322 1.00 0.00 O ATOM 2257 CB THR B 39 66.090 2.022 -11.507 1.00 0.00 C ATOM 2258 OG1 THR B 39 65.317 1.418 -10.478 1.00 0.00 O ATOM 2259 CG2 THR B 39 65.738 1.387 -12.848 1.00 0.00 C ATOM 0 H THR B 39 67.178 2.700 -9.345 1.00 0.00 H new ATOM 0 HA THR B 39 67.787 0.722 -11.335 1.00 0.00 H new ATOM 0 HB THR B 39 65.878 3.091 -11.531 1.00 0.00 H new ATOM 0 HG1 THR B 39 64.365 1.571 -10.651 1.00 0.00 H new ATOM 0 HG21 THR B 39 64.681 1.546 -13.059 1.00 0.00 H new ATOM 0 HG22 THR B 39 66.338 1.843 -13.635 1.00 0.00 H new ATOM 0 HG23 THR B 39 65.944 0.317 -12.809 1.00 0.00 H new ATOM 2267 N ARG B 40 68.783 3.764 -11.941 1.00 0.00 N ATOM 2268 CA ARG B 40 69.592 4.563 -12.900 1.00 0.00 C ATOM 2269 C ARG B 40 70.999 3.977 -13.006 1.00 0.00 C ATOM 2270 O ARG B 40 71.584 3.945 -14.070 1.00 0.00 O ATOM 2271 CB ARG B 40 69.683 6.016 -12.418 1.00 0.00 C ATOM 2272 CG ARG B 40 68.312 6.706 -12.520 1.00 0.00 C ATOM 2273 CD ARG B 40 68.065 7.221 -13.945 1.00 0.00 C ATOM 2274 NE ARG B 40 69.124 8.204 -14.314 1.00 0.00 N ATOM 2275 CZ ARG B 40 69.282 8.548 -15.563 1.00 0.00 C ATOM 2276 NH1 ARG B 40 68.540 7.997 -16.483 1.00 0.00 N ATOM 2277 NH2 ARG B 40 70.183 9.431 -15.896 1.00 0.00 N ATOM 0 H ARG B 40 68.562 4.233 -11.063 1.00 0.00 H new ATOM 0 HA ARG B 40 69.112 4.534 -13.878 1.00 0.00 H new ATOM 0 HB2 ARG B 40 70.033 6.041 -11.386 1.00 0.00 H new ATOM 0 HB3 ARG B 40 70.415 6.558 -13.017 1.00 0.00 H new ATOM 0 HG2 ARG B 40 67.525 6.005 -12.240 1.00 0.00 H new ATOM 0 HG3 ARG B 40 68.264 7.536 -11.815 1.00 0.00 H new ATOM 0 HD2 ARG B 40 68.067 6.388 -14.648 1.00 0.00 H new ATOM 0 HD3 ARG B 40 67.083 7.689 -14.008 1.00 0.00 H new ATOM 0 HE ARG B 40 69.723 8.606 -13.593 1.00 0.00 H new ATOM 0 HH11 ARG B 40 67.840 7.301 -16.225 1.00 0.00 H new ATOM 0 HH12 ARG B 40 68.659 8.262 -17.461 1.00 0.00 H new ATOM 0 HH21 ARG B 40 70.769 9.857 -15.178 1.00 0.00 H new ATOM 0 HH22 ARG B 40 70.301 9.695 -16.874 1.00 0.00 H new ATOM 2291 N GLU B 41 71.558 3.538 -11.903 1.00 0.00 N ATOM 2292 CA GLU B 41 72.950 2.982 -11.930 1.00 0.00 C ATOM 2293 C GLU B 41 72.932 1.472 -11.835 1.00 0.00 C ATOM 2294 O GLU B 41 73.901 0.827 -12.179 1.00 0.00 O ATOM 2295 CB GLU B 41 73.750 3.555 -10.759 1.00 0.00 C ATOM 2296 CG GLU B 41 73.982 5.052 -10.977 1.00 0.00 C ATOM 2297 CD GLU B 41 74.908 5.260 -12.177 1.00 0.00 C ATOM 2298 OE1 GLU B 41 75.595 4.319 -12.539 1.00 0.00 O ATOM 2299 OE2 GLU B 41 74.908 6.353 -12.716 1.00 0.00 O ATOM 0 H GLU B 41 71.112 3.540 -10.986 1.00 0.00 H new ATOM 0 HA GLU B 41 73.416 3.264 -12.874 1.00 0.00 H new ATOM 0 HB2 GLU B 41 73.213 3.393 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU B 41 74.706 3.038 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU B 41 73.031 5.556 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU B 41 74.422 5.496 -10.084 1.00 0.00 H new ATOM 2306 N LEU B 42 71.851 0.892 -11.392 1.00 0.00 N ATOM 2307 CA LEU B 42 71.796 -0.601 -11.298 1.00 0.00 C ATOM 2308 C LEU B 42 70.507 -1.094 -11.976 1.00 0.00 C ATOM 2309 O LEU B 42 69.534 -1.377 -11.309 1.00 0.00 O ATOM 2310 CB LEU B 42 71.758 -1.058 -9.827 1.00 0.00 C ATOM 2311 CG LEU B 42 73.060 -0.727 -9.059 1.00 0.00 C ATOM 2312 CD1 LEU B 42 74.288 -1.298 -9.791 1.00 0.00 C ATOM 2313 CD2 LEU B 42 73.212 0.801 -8.845 1.00 0.00 C ATOM 0 H LEU B 42 71.007 1.380 -11.092 1.00 0.00 H new ATOM 0 HA LEU B 42 72.683 -1.009 -11.782 1.00 0.00 H new ATOM 0 HB2 LEU B 42 70.915 -0.582 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU B 42 71.584 -2.133 -9.790 1.00 0.00 H new ATOM 0 HG LEU B 42 72.996 -1.198 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU B 42 75.191 -1.053 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU B 42 74.193 -2.381 -9.870 1.00 0.00 H new ATOM 0 HD13 LEU B 42 74.350 -0.865 -10.789 1.00 0.00 H new ATOM 0 HD21 LEU B 42 74.136 1.002 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU B 42 73.242 1.303 -9.812 1.00 0.00 H new ATOM 0 HD23 LEU B 42 72.365 1.174 -8.269 1.00 0.00 H new ATOM 2325 N PRO B 43 70.475 -1.191 -13.284 1.00 0.00 N ATOM 2326 CA PRO B 43 69.240 -1.653 -13.977 1.00 0.00 C ATOM 2327 C PRO B 43 68.956 -3.153 -13.745 1.00 0.00 C ATOM 2328 O PRO B 43 68.262 -3.522 -12.819 1.00 0.00 O ATOM 2329 CB PRO B 43 69.553 -1.336 -15.456 1.00 0.00 C ATOM 2330 CG PRO B 43 71.051 -0.982 -15.572 1.00 0.00 C ATOM 2331 CD PRO B 43 71.637 -0.850 -14.152 1.00 0.00 C ATOM 0 HA PRO B 43 68.335 -1.166 -13.612 1.00 0.00 H new ATOM 0 HB2 PRO B 43 69.316 -2.193 -16.086 1.00 0.00 H new ATOM 0 HB3 PRO B 43 68.939 -0.505 -15.804 1.00 0.00 H new ATOM 0 HG2 PRO B 43 71.580 -1.755 -16.129 1.00 0.00 H new ATOM 0 HG3 PRO B 43 71.178 -0.049 -16.122 1.00 0.00 H new ATOM 0 HD2 PRO B 43 72.473 -1.531 -13.994 1.00 0.00 H new ATOM 0 HD3 PRO B 43 72.005 0.157 -13.958 1.00 0.00 H new ATOM 2339 N SER B 44 69.477 -4.012 -14.581 1.00 0.00 N ATOM 2340 CA SER B 44 69.229 -5.474 -14.415 1.00 0.00 C ATOM 2341 C SER B 44 70.150 -6.038 -13.335 1.00 0.00 C ATOM 2342 O SER B 44 69.922 -7.102 -12.803 1.00 0.00 O ATOM 2343 CB SER B 44 69.501 -6.193 -15.737 1.00 0.00 C ATOM 2344 OG SER B 44 70.903 -6.222 -15.975 1.00 0.00 O ATOM 0 H SER B 44 70.066 -3.762 -15.375 1.00 0.00 H new ATOM 0 HA SER B 44 68.191 -5.628 -14.121 1.00 0.00 H new ATOM 0 HB2 SER B 44 69.105 -7.208 -15.701 1.00 0.00 H new ATOM 0 HB3 SER B 44 68.992 -5.682 -16.554 1.00 0.00 H new ATOM 0 HG SER B 44 71.082 -6.684 -16.821 1.00 0.00 H new ATOM 2350 N PHE B 45 71.196 -5.338 -13.015 1.00 0.00 N ATOM 2351 CA PHE B 45 72.143 -5.834 -11.976 1.00 0.00 C ATOM 2352 C PHE B 45 71.365 -6.307 -10.746 1.00 0.00 C ATOM 2353 O PHE B 45 71.897 -6.972 -9.881 1.00 0.00 O ATOM 2354 CB PHE B 45 73.069 -4.690 -11.575 1.00 0.00 C ATOM 2355 CG PHE B 45 74.239 -5.230 -10.784 1.00 0.00 C ATOM 2356 CD1 PHE B 45 75.360 -5.738 -11.456 1.00 0.00 C ATOM 2357 CD2 PHE B 45 74.210 -5.224 -9.382 1.00 0.00 C ATOM 2358 CE1 PHE B 45 76.447 -6.238 -10.730 1.00 0.00 C ATOM 2359 CE2 PHE B 45 75.298 -5.725 -8.657 1.00 0.00 C ATOM 2360 CZ PHE B 45 76.416 -6.232 -9.331 1.00 0.00 C ATOM 0 H PHE B 45 71.441 -4.438 -13.428 1.00 0.00 H new ATOM 0 HA PHE B 45 72.721 -6.668 -12.374 1.00 0.00 H new ATOM 0 HB2 PHE B 45 73.428 -4.172 -12.464 1.00 0.00 H new ATOM 0 HB3 PHE B 45 72.522 -3.959 -10.979 1.00 0.00 H new ATOM 0 HD1 PHE B 45 75.385 -5.743 -12.536 1.00 0.00 H new ATOM 0 HD2 PHE B 45 73.348 -4.833 -8.861 1.00 0.00 H new ATOM 0 HE1 PHE B 45 77.310 -6.628 -11.249 1.00 0.00 H new ATOM 0 HE2 PHE B 45 75.275 -5.720 -7.577 1.00 0.00 H new ATOM 0 HZ PHE B 45 77.255 -6.619 -8.771 1.00 0.00 H new ATOM 2370 N LEU B 46 70.104 -5.972 -10.665 1.00 0.00 N ATOM 2371 CA LEU B 46 69.287 -6.413 -9.484 1.00 0.00 C ATOM 2372 C LEU B 46 67.803 -6.335 -9.849 1.00 0.00 C ATOM 2373 O LEU B 46 67.002 -7.131 -9.400 1.00 0.00 O ATOM 2374 CB LEU B 46 69.577 -5.554 -8.219 1.00 0.00 C ATOM 2375 CG LEU B 46 70.159 -4.175 -8.581 1.00 0.00 C ATOM 2376 CD1 LEU B 46 69.107 -3.322 -9.314 1.00 0.00 C ATOM 2377 CD2 LEU B 46 70.587 -3.460 -7.289 1.00 0.00 C ATOM 0 H LEU B 46 69.603 -5.416 -11.358 1.00 0.00 H new ATOM 0 HA LEU B 46 69.561 -7.440 -9.241 1.00 0.00 H new ATOM 0 HB2 LEU B 46 68.656 -5.421 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU B 46 70.276 -6.085 -7.573 1.00 0.00 H new ATOM 0 HG LEU B 46 71.018 -4.310 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU B 46 69.535 -2.351 -9.562 1.00 0.00 H new ATOM 0 HD12 LEU B 46 68.801 -3.829 -10.229 1.00 0.00 H new ATOM 0 HD13 LEU B 46 68.239 -3.182 -8.670 1.00 0.00 H new ATOM 0 HD21 LEU B 46 71.001 -2.482 -7.534 1.00 0.00 H new ATOM 0 HD22 LEU B 46 69.721 -3.335 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU B 46 71.343 -4.056 -6.777 1.00 0.00 H new ATOM 2389 N GLY B 47 67.440 -5.414 -10.695 1.00 0.00 N ATOM 2390 CA GLY B 47 66.024 -5.323 -11.130 1.00 0.00 C ATOM 2391 C GLY B 47 65.848 -6.387 -12.196 1.00 0.00 C ATOM 2392 O GLY B 47 64.920 -6.378 -12.980 1.00 0.00 O ATOM 0 H GLY B 47 68.065 -4.720 -11.104 1.00 0.00 H new ATOM 0 HA2 GLY B 47 65.347 -5.493 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY B 47 65.800 -4.332 -11.526 1.00 0.00 H new ATOM 2396 N LYS B 48 66.787 -7.293 -12.232 1.00 0.00 N ATOM 2397 CA LYS B 48 66.779 -8.377 -13.234 1.00 0.00 C ATOM 2398 C LYS B 48 65.374 -8.993 -13.337 1.00 0.00 C ATOM 2399 O LYS B 48 65.083 -9.743 -14.244 1.00 0.00 O ATOM 2400 CB LYS B 48 67.775 -9.453 -12.791 1.00 0.00 C ATOM 2401 CG LYS B 48 68.169 -10.329 -13.979 1.00 0.00 C ATOM 2402 CD LYS B 48 69.290 -11.268 -13.542 1.00 0.00 C ATOM 2403 CE LYS B 48 69.683 -12.179 -14.706 1.00 0.00 C ATOM 2404 NZ LYS B 48 68.555 -13.102 -15.014 1.00 0.00 N ATOM 0 H LYS B 48 67.577 -7.320 -11.588 1.00 0.00 H new ATOM 0 HA LYS B 48 67.058 -7.978 -14.209 1.00 0.00 H new ATOM 0 HB2 LYS B 48 68.662 -8.984 -12.365 1.00 0.00 H new ATOM 0 HB3 LYS B 48 67.332 -10.068 -12.007 1.00 0.00 H new ATOM 0 HG2 LYS B 48 67.310 -10.902 -14.328 1.00 0.00 H new ATOM 0 HG3 LYS B 48 68.498 -9.709 -14.813 1.00 0.00 H new ATOM 0 HD2 LYS B 48 70.153 -10.690 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS B 48 68.964 -11.868 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS B 48 69.928 -11.581 -15.584 1.00 0.00 H new ATOM 0 HE3 LYS B 48 70.575 -12.750 -14.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 68.909 -13.913 -15.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 68.131 -13.440 -14.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 67.836 -12.598 -15.571 1.00 0.00 H new ATOM 2418 N ARG B 49 64.520 -8.684 -12.390 1.00 0.00 N ATOM 2419 CA ARG B 49 63.126 -9.234 -12.367 1.00 0.00 C ATOM 2420 C ARG B 49 63.141 -10.621 -11.713 1.00 0.00 C ATOM 2421 O ARG B 49 62.172 -11.351 -11.767 1.00 0.00 O ATOM 2422 CB ARG B 49 62.547 -9.344 -13.794 1.00 0.00 C ATOM 2423 CG ARG B 49 61.014 -9.294 -13.730 1.00 0.00 C ATOM 2424 CD ARG B 49 60.433 -9.419 -15.138 1.00 0.00 C ATOM 2425 NE ARG B 49 60.909 -8.289 -15.981 1.00 0.00 N ATOM 2426 CZ ARG B 49 60.775 -8.345 -17.277 1.00 0.00 C ATOM 2427 NH1 ARG B 49 60.204 -9.379 -17.828 1.00 0.00 N ATOM 2428 NH2 ARG B 49 61.202 -7.364 -18.022 1.00 0.00 N ATOM 0 H ARG B 49 64.736 -8.059 -11.614 1.00 0.00 H new ATOM 0 HA ARG B 49 62.495 -8.554 -11.794 1.00 0.00 H new ATOM 0 HB2 ARG B 49 62.922 -8.530 -14.414 1.00 0.00 H new ATOM 0 HB3 ARG B 49 62.872 -10.275 -14.259 1.00 0.00 H new ATOM 0 HG2 ARG B 49 60.641 -10.101 -13.100 1.00 0.00 H new ATOM 0 HG3 ARG B 49 60.690 -8.358 -13.275 1.00 0.00 H new ATOM 0 HD2 ARG B 49 60.733 -10.368 -15.582 1.00 0.00 H new ATOM 0 HD3 ARG B 49 59.344 -9.418 -15.093 1.00 0.00 H new ATOM 0 HE ARG B 49 61.339 -7.473 -15.546 1.00 0.00 H new ATOM 0 HH11 ARG B 49 59.862 -10.144 -17.246 1.00 0.00 H new ATOM 0 HH12 ARG B 49 60.099 -9.424 -18.842 1.00 0.00 H new ATOM 0 HH21 ARG B 49 61.642 -6.551 -17.591 1.00 0.00 H new ATOM 0 HH22 ARG B 49 61.096 -7.410 -19.035 1.00 0.00 H new ATOM 2442 N THR B 50 64.239 -10.988 -11.095 1.00 0.00 N ATOM 2443 CA THR B 50 64.332 -12.329 -10.432 1.00 0.00 C ATOM 2444 C THR B 50 64.250 -12.164 -8.910 1.00 0.00 C ATOM 2445 O THR B 50 63.633 -12.958 -8.228 1.00 0.00 O ATOM 2446 CB THR B 50 65.672 -12.973 -10.795 1.00 0.00 C ATOM 2447 OG1 THR B 50 66.728 -12.078 -10.474 1.00 0.00 O ATOM 2448 CG2 THR B 50 65.700 -13.280 -12.293 1.00 0.00 C ATOM 0 H THR B 50 65.079 -10.414 -11.021 1.00 0.00 H new ATOM 0 HA THR B 50 63.509 -12.958 -10.771 1.00 0.00 H new ATOM 0 HB THR B 50 65.796 -13.898 -10.233 1.00 0.00 H new ATOM 0 HG1 THR B 50 67.587 -12.490 -10.704 1.00 0.00 H new ATOM 0 HG21 THR B 50 66.654 -13.739 -12.553 1.00 0.00 H new ATOM 0 HG22 THR B 50 64.889 -13.965 -12.539 1.00 0.00 H new ATOM 0 HG23 THR B 50 65.577 -12.355 -12.856 1.00 0.00 H new ATOM 2456 N ASP B 51 64.869 -11.138 -8.376 1.00 0.00 N ATOM 2457 CA ASP B 51 64.840 -10.904 -6.893 1.00 0.00 C ATOM 2458 C ASP B 51 64.031 -9.641 -6.595 1.00 0.00 C ATOM 2459 O ASP B 51 64.466 -8.769 -5.869 1.00 0.00 O ATOM 2460 CB ASP B 51 66.268 -10.720 -6.373 1.00 0.00 C ATOM 2461 CG ASP B 51 66.888 -9.470 -7.001 1.00 0.00 C ATOM 2462 OD1 ASP B 51 66.403 -9.047 -8.036 1.00 0.00 O ATOM 2463 OD2 ASP B 51 67.836 -8.955 -6.430 1.00 0.00 O ATOM 0 H ASP B 51 65.398 -10.446 -8.907 1.00 0.00 H new ATOM 0 HA ASP B 51 64.381 -11.762 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP B 51 66.261 -10.628 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP B 51 66.869 -11.597 -6.615 1.00 0.00 H new ATOM 2468 N GLU B 52 62.860 -9.534 -7.155 1.00 0.00 N ATOM 2469 CA GLU B 52 62.021 -8.328 -6.917 1.00 0.00 C ATOM 2470 C GLU B 52 61.720 -8.199 -5.422 1.00 0.00 C ATOM 2471 O GLU B 52 61.704 -7.116 -4.875 1.00 0.00 O ATOM 2472 CB GLU B 52 60.705 -8.461 -7.685 1.00 0.00 C ATOM 2473 CG GLU B 52 60.983 -8.402 -9.189 1.00 0.00 C ATOM 2474 CD GLU B 52 59.661 -8.496 -9.952 1.00 0.00 C ATOM 2475 OE1 GLU B 52 58.626 -8.336 -9.327 1.00 0.00 O ATOM 2476 OE2 GLU B 52 59.707 -8.727 -11.150 1.00 0.00 O ATOM 0 H GLU B 52 62.446 -10.234 -7.771 1.00 0.00 H new ATOM 0 HA GLU B 52 62.558 -7.443 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU B 52 60.217 -9.402 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU B 52 60.022 -7.661 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU B 52 61.495 -7.473 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU B 52 61.643 -9.219 -9.481 1.00 0.00 H new ATOM 2483 N ALA B 53 61.459 -9.293 -4.764 1.00 0.00 N ATOM 2484 CA ALA B 53 61.132 -9.231 -3.312 1.00 0.00 C ATOM 2485 C ALA B 53 62.280 -8.581 -2.535 1.00 0.00 C ATOM 2486 O ALA B 53 62.058 -7.763 -1.664 1.00 0.00 O ATOM 2487 CB ALA B 53 60.909 -10.649 -2.785 1.00 0.00 C ATOM 0 H ALA B 53 61.458 -10.229 -5.169 1.00 0.00 H new ATOM 0 HA ALA B 53 60.230 -8.634 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA B 53 60.669 -10.609 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA B 53 60.084 -11.113 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA B 53 61.815 -11.238 -2.931 1.00 0.00 H new ATOM 2493 N ALA B 54 63.502 -8.927 -2.831 1.00 0.00 N ATOM 2494 CA ALA B 54 64.634 -8.306 -2.085 1.00 0.00 C ATOM 2495 C ALA B 54 64.694 -6.813 -2.396 1.00 0.00 C ATOM 2496 O ALA B 54 64.940 -5.994 -1.535 1.00 0.00 O ATOM 2497 CB ALA B 54 65.945 -8.944 -2.508 1.00 0.00 C ATOM 0 H ALA B 54 63.765 -9.604 -3.547 1.00 0.00 H new ATOM 0 HA ALA B 54 64.478 -8.460 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA B 54 66.767 -8.485 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA B 54 65.916 -10.012 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA B 54 66.095 -8.794 -3.577 1.00 0.00 H new ATOM 2503 N PHE B 55 64.472 -6.453 -3.627 1.00 0.00 N ATOM 2504 CA PHE B 55 64.510 -5.014 -3.991 1.00 0.00 C ATOM 2505 C PHE B 55 63.453 -4.294 -3.170 1.00 0.00 C ATOM 2506 O PHE B 55 63.657 -3.206 -2.672 1.00 0.00 O ATOM 2507 CB PHE B 55 64.172 -4.858 -5.466 1.00 0.00 C ATOM 2508 CG PHE B 55 64.226 -3.396 -5.841 1.00 0.00 C ATOM 2509 CD1 PHE B 55 63.081 -2.596 -5.731 1.00 0.00 C ATOM 2510 CD2 PHE B 55 65.427 -2.839 -6.297 1.00 0.00 C ATOM 2511 CE1 PHE B 55 63.140 -1.239 -6.077 1.00 0.00 C ATOM 2512 CE2 PHE B 55 65.486 -1.483 -6.640 1.00 0.00 C ATOM 2513 CZ PHE B 55 64.343 -0.683 -6.530 1.00 0.00 C ATOM 0 H PHE B 55 64.266 -7.092 -4.395 1.00 0.00 H new ATOM 0 HA PHE B 55 65.500 -4.602 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE B 55 64.876 -5.427 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE B 55 63.179 -5.260 -5.667 1.00 0.00 H new ATOM 0 HD1 PHE B 55 62.154 -3.025 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE B 55 66.309 -3.456 -6.384 1.00 0.00 H new ATOM 0 HE1 PHE B 55 62.258 -0.622 -5.994 1.00 0.00 H new ATOM 0 HE2 PHE B 55 66.414 -1.054 -6.990 1.00 0.00 H new ATOM 0 HZ PHE B 55 64.389 0.363 -6.794 1.00 0.00 H new ATOM 2523 N GLN B 56 62.322 -4.920 -3.017 1.00 0.00 N ATOM 2524 CA GLN B 56 61.232 -4.303 -2.216 1.00 0.00 C ATOM 2525 C GLN B 56 61.712 -4.168 -0.783 1.00 0.00 C ATOM 2526 O GLN B 56 61.382 -3.234 -0.086 1.00 0.00 O ATOM 2527 CB GLN B 56 59.981 -5.183 -2.275 1.00 0.00 C ATOM 2528 CG GLN B 56 59.383 -5.115 -3.682 1.00 0.00 C ATOM 2529 CD GLN B 56 58.132 -5.991 -3.752 1.00 0.00 C ATOM 2530 OE1 GLN B 56 57.401 -6.152 -2.683 1.00 0.00 O flip ATOM 2531 NE2 GLN B 56 57.811 -6.529 -4.794 1.00 0.00 N flip ATOM 0 H GLN B 56 62.105 -5.835 -3.413 1.00 0.00 H new ATOM 0 HA GLN B 56 60.979 -3.321 -2.616 1.00 0.00 H new ATOM 0 HB2 GLN B 56 60.234 -6.213 -2.024 1.00 0.00 H new ATOM 0 HB3 GLN B 56 59.250 -4.846 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN B 56 59.131 -4.084 -3.931 1.00 0.00 H new ATOM 0 HG3 GLN B 56 60.116 -5.451 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN B 56 58.382 -6.403 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN B 56 56.971 -7.106 -4.832 1.00 0.00 H new ATOM 2540 N LYS B 57 62.518 -5.086 -0.357 1.00 0.00 N ATOM 2541 CA LYS B 57 63.073 -5.016 1.023 1.00 0.00 C ATOM 2542 C LYS B 57 64.079 -3.878 1.049 1.00 0.00 C ATOM 2543 O LYS B 57 64.150 -3.109 1.986 1.00 0.00 O ATOM 2544 CB LYS B 57 63.721 -6.365 1.391 1.00 0.00 C ATOM 2545 CG LYS B 57 64.802 -6.184 2.474 1.00 0.00 C ATOM 2546 CD LYS B 57 65.028 -7.500 3.231 1.00 0.00 C ATOM 2547 CE LYS B 57 65.675 -8.524 2.297 1.00 0.00 C ATOM 2548 NZ LYS B 57 65.943 -9.784 3.046 1.00 0.00 N ATOM 0 H LYS B 57 62.822 -5.891 -0.905 1.00 0.00 H new ATOM 0 HA LYS B 57 62.293 -4.826 1.760 1.00 0.00 H new ATOM 0 HB2 LYS B 57 62.956 -7.054 1.748 1.00 0.00 H new ATOM 0 HB3 LYS B 57 64.164 -6.814 0.502 1.00 0.00 H new ATOM 0 HG2 LYS B 57 65.735 -5.857 2.015 1.00 0.00 H new ATOM 0 HG3 LYS B 57 64.499 -5.403 3.172 1.00 0.00 H new ATOM 0 HD2 LYS B 57 65.667 -7.328 4.097 1.00 0.00 H new ATOM 0 HD3 LYS B 57 64.079 -7.883 3.606 1.00 0.00 H new ATOM 0 HE2 LYS B 57 65.019 -8.725 1.450 1.00 0.00 H new ATOM 0 HE3 LYS B 57 66.605 -8.125 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 66.383 -10.479 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 66.585 -9.586 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 65.048 -10.167 3.412 1.00 0.00 H new ATOM 2562 N LEU B 58 64.832 -3.745 0.001 1.00 0.00 N ATOM 2563 CA LEU B 58 65.802 -2.633 -0.060 1.00 0.00 C ATOM 2564 C LEU B 58 64.969 -1.368 -0.126 1.00 0.00 C ATOM 2565 O LEU B 58 65.248 -0.380 0.514 1.00 0.00 O ATOM 2566 CB LEU B 58 66.664 -2.770 -1.321 1.00 0.00 C ATOM 2567 CG LEU B 58 67.680 -1.620 -1.398 1.00 0.00 C ATOM 2568 CD1 LEU B 58 68.807 -1.832 -0.377 1.00 0.00 C ATOM 2569 CD2 LEU B 58 68.271 -1.555 -2.808 1.00 0.00 C ATOM 0 H LEU B 58 64.816 -4.358 -0.814 1.00 0.00 H new ATOM 0 HA LEU B 58 66.473 -2.625 0.799 1.00 0.00 H new ATOM 0 HB2 LEU B 58 67.187 -3.726 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU B 58 66.029 -2.763 -2.207 1.00 0.00 H new ATOM 0 HG LEU B 58 67.171 -0.684 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU B 58 69.518 -1.009 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU B 58 68.386 -1.867 0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 58 69.318 -2.771 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU B 58 68.992 -0.739 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU B 58 68.770 -2.497 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU B 58 67.472 -1.383 -3.530 1.00 0.00 H new ATOM 2581 N MET B 59 63.918 -1.415 -0.885 1.00 0.00 N ATOM 2582 CA MET B 59 63.026 -0.240 -0.974 1.00 0.00 C ATOM 2583 C MET B 59 62.297 -0.092 0.354 1.00 0.00 C ATOM 2584 O MET B 59 62.036 1.000 0.817 1.00 0.00 O ATOM 2585 CB MET B 59 62.011 -0.417 -2.099 1.00 0.00 C ATOM 2586 CG MET B 59 61.265 0.900 -2.311 1.00 0.00 C ATOM 2587 SD MET B 59 60.120 0.729 -3.701 1.00 0.00 S ATOM 2588 CE MET B 59 59.272 2.313 -3.484 1.00 0.00 C ATOM 0 H MET B 59 63.639 -2.219 -1.448 1.00 0.00 H new ATOM 0 HA MET B 59 63.618 0.650 -1.188 1.00 0.00 H new ATOM 0 HB2 MET B 59 62.516 -0.715 -3.018 1.00 0.00 H new ATOM 0 HB3 MET B 59 61.308 -1.212 -1.850 1.00 0.00 H new ATOM 0 HG2 MET B 59 60.719 1.170 -1.407 1.00 0.00 H new ATOM 0 HG3 MET B 59 61.974 1.704 -2.507 1.00 0.00 H new ATOM 0 HE1 MET B 59 58.731 2.564 -4.397 1.00 0.00 H new ATOM 0 HE2 MET B 59 58.569 2.239 -2.655 1.00 0.00 H new ATOM 0 HE3 MET B 59 60.004 3.091 -3.270 1.00 0.00 H new ATOM 2598 N SER B 60 61.965 -1.188 0.975 1.00 0.00 N ATOM 2599 CA SER B 60 61.252 -1.097 2.279 1.00 0.00 C ATOM 2600 C SER B 60 62.114 -0.284 3.234 1.00 0.00 C ATOM 2601 O SER B 60 61.620 0.358 4.141 1.00 0.00 O ATOM 2602 CB SER B 60 61.013 -2.491 2.857 1.00 0.00 C ATOM 2603 OG SER B 60 60.206 -2.382 4.023 1.00 0.00 O ATOM 0 H SER B 60 62.154 -2.133 0.641 1.00 0.00 H new ATOM 0 HA SER B 60 60.283 -0.618 2.137 1.00 0.00 H new ATOM 0 HB2 SER B 60 60.522 -3.125 2.118 1.00 0.00 H new ATOM 0 HB3 SER B 60 61.964 -2.964 3.101 1.00 0.00 H new ATOM 0 HG SER B 60 60.049 -3.274 4.397 1.00 0.00 H new ATOM 2609 N ASN B 61 63.402 -0.274 3.017 1.00 0.00 N ATOM 2610 CA ASN B 61 64.280 0.543 3.895 1.00 0.00 C ATOM 2611 C ASN B 61 63.969 1.984 3.553 1.00 0.00 C ATOM 2612 O ASN B 61 63.949 2.862 4.391 1.00 0.00 O ATOM 2613 CB ASN B 61 65.756 0.223 3.641 1.00 0.00 C ATOM 2614 CG ASN B 61 66.064 -1.181 4.160 1.00 0.00 C ATOM 2615 OD1 ASN B 61 65.374 -1.686 5.023 1.00 0.00 O ATOM 2616 ND2 ASN B 61 67.076 -1.840 3.666 1.00 0.00 N ATOM 0 H ASN B 61 63.878 -0.791 2.277 1.00 0.00 H new ATOM 0 HA ASN B 61 64.100 0.335 4.950 1.00 0.00 H new ATOM 0 HB2 ASN B 61 65.976 0.286 2.575 1.00 0.00 H new ATOM 0 HB3 ASN B 61 66.390 0.955 4.141 1.00 0.00 H new ATOM 0 HD21 ASN B 61 67.287 -2.779 4.004 1.00 0.00 H new ATOM 0 HD22 ASN B 61 67.656 -1.416 2.941 1.00 0.00 H new ATOM 2623 N LEU B 62 63.668 2.210 2.308 1.00 0.00 N ATOM 2624 CA LEU B 62 63.284 3.564 1.860 1.00 0.00 C ATOM 2625 C LEU B 62 62.073 3.944 2.715 1.00 0.00 C ATOM 2626 O LEU B 62 61.871 5.083 3.088 1.00 0.00 O ATOM 2627 CB LEU B 62 62.911 3.474 0.365 1.00 0.00 C ATOM 2628 CG LEU B 62 63.320 4.736 -0.386 1.00 0.00 C ATOM 2629 CD1 LEU B 62 63.225 4.488 -1.892 1.00 0.00 C ATOM 2630 CD2 LEU B 62 62.389 5.886 -0.010 1.00 0.00 C ATOM 0 H LEU B 62 63.673 1.501 1.575 1.00 0.00 H new ATOM 0 HA LEU B 62 64.074 4.307 1.969 1.00 0.00 H new ATOM 0 HB2 LEU B 62 63.399 2.608 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU B 62 61.836 3.321 0.265 1.00 0.00 H new ATOM 0 HG LEU B 62 64.345 4.994 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU B 62 63.517 5.391 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU B 62 63.890 3.670 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU B 62 62.200 4.227 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU B 62 62.686 6.786 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU B 62 61.364 5.626 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU B 62 62.452 6.069 1.063 1.00 0.00 H new ATOM 2642 N ASP B 63 61.297 2.951 3.057 1.00 0.00 N ATOM 2643 CA ASP B 63 60.110 3.157 3.923 1.00 0.00 C ATOM 2644 C ASP B 63 60.546 2.964 5.382 1.00 0.00 C ATOM 2645 O ASP B 63 59.731 2.787 6.266 1.00 0.00 O ATOM 2646 CB ASP B 63 59.037 2.120 3.561 1.00 0.00 C ATOM 2647 CG ASP B 63 57.669 2.581 4.070 1.00 0.00 C ATOM 2648 OD1 ASP B 63 57.616 3.121 5.163 1.00 0.00 O ATOM 2649 OD2 ASP B 63 56.697 2.384 3.359 1.00 0.00 O ATOM 0 H ASP B 63 61.443 1.985 2.763 1.00 0.00 H new ATOM 0 HA ASP B 63 59.700 4.157 3.783 1.00 0.00 H new ATOM 0 HB2 ASP B 63 59.004 1.981 2.480 1.00 0.00 H new ATOM 0 HB3 ASP B 63 59.290 1.155 3.999 1.00 0.00 H new ATOM 2654 N SER B 64 61.834 2.969 5.634 1.00 0.00 N ATOM 2655 CA SER B 64 62.326 2.756 7.029 1.00 0.00 C ATOM 2656 C SER B 64 61.771 3.844 7.953 1.00 0.00 C ATOM 2657 O SER B 64 61.391 3.580 9.076 1.00 0.00 O ATOM 2658 CB SER B 64 63.856 2.831 7.060 1.00 0.00 C ATOM 2659 OG SER B 64 64.282 4.043 6.451 1.00 0.00 O ATOM 0 H SER B 64 62.563 3.111 4.934 1.00 0.00 H new ATOM 0 HA SER B 64 61.992 1.775 7.366 1.00 0.00 H new ATOM 0 HB2 SER B 64 64.213 2.783 8.089 1.00 0.00 H new ATOM 0 HB3 SER B 64 64.284 1.977 6.534 1.00 0.00 H new ATOM 0 HG SER B 64 64.293 3.933 5.477 1.00 0.00 H new ATOM 2665 N ASN B 65 61.718 5.064 7.489 1.00 0.00 N ATOM 2666 CA ASN B 65 61.187 6.168 8.343 1.00 0.00 C ATOM 2667 C ASN B 65 60.721 7.325 7.461 1.00 0.00 C ATOM 2668 O ASN B 65 61.103 7.439 6.313 1.00 0.00 O ATOM 2669 CB ASN B 65 62.275 6.668 9.293 1.00 0.00 C ATOM 2670 CG ASN B 65 61.671 7.698 10.249 1.00 0.00 C ATOM 2671 OD1 ASN B 65 61.782 8.888 10.026 1.00 0.00 O ATOM 2672 ND2 ASN B 65 61.029 7.292 11.309 1.00 0.00 N ATOM 0 H ASN B 65 62.019 5.345 6.556 1.00 0.00 H new ATOM 0 HA ASN B 65 60.347 5.788 8.924 1.00 0.00 H new ATOM 0 HB2 ASN B 65 62.695 5.834 9.855 1.00 0.00 H new ATOM 0 HB3 ASN B 65 63.092 7.115 8.727 1.00 0.00 H new ATOM 0 HD21 ASN B 65 60.621 7.973 11.950 1.00 0.00 H new ATOM 0 HD22 ASN B 65 60.935 6.294 11.497 1.00 0.00 H new ATOM 2679 N ARG B 66 59.892 8.185 7.987 1.00 0.00 N ATOM 2680 CA ARG B 66 59.396 9.330 7.177 1.00 0.00 C ATOM 2681 C ARG B 66 60.572 10.201 6.721 1.00 0.00 C ATOM 2682 O ARG B 66 60.648 10.591 5.572 1.00 0.00 O ATOM 2683 CB ARG B 66 58.437 10.174 8.020 1.00 0.00 C ATOM 2684 CG ARG B 66 57.143 9.394 8.253 1.00 0.00 C ATOM 2685 CD ARG B 66 56.154 10.262 9.032 1.00 0.00 C ATOM 2686 NE ARG B 66 56.653 10.479 10.420 1.00 0.00 N ATOM 2687 CZ ARG B 66 56.110 11.408 11.159 1.00 0.00 C ATOM 2688 NH1 ARG B 66 55.162 12.154 10.664 1.00 0.00 N ATOM 2689 NH2 ARG B 66 56.513 11.596 12.386 1.00 0.00 N ATOM 0 H ARG B 66 59.538 8.143 8.943 1.00 0.00 H new ATOM 0 HA ARG B 66 58.875 8.945 6.300 1.00 0.00 H new ATOM 0 HB2 ARG B 66 58.900 10.425 8.974 1.00 0.00 H new ATOM 0 HB3 ARG B 66 58.221 11.114 7.513 1.00 0.00 H new ATOM 0 HG2 ARG B 66 56.708 9.097 7.298 1.00 0.00 H new ATOM 0 HG3 ARG B 66 57.353 8.478 8.806 1.00 0.00 H new ATOM 0 HD2 ARG B 66 56.023 11.220 8.529 1.00 0.00 H new ATOM 0 HD3 ARG B 66 55.177 9.780 9.059 1.00 0.00 H new ATOM 0 HE ARG B 66 57.412 9.906 10.789 1.00 0.00 H new ATOM 0 HH11 ARG B 66 54.848 12.010 9.704 1.00 0.00 H new ATOM 0 HH12 ARG B 66 54.734 12.881 11.237 1.00 0.00 H new ATOM 0 HH21 ARG B 66 57.257 11.015 12.773 1.00 0.00 H new ATOM 0 HH22 ARG B 66 56.084 12.324 12.958 1.00 0.00 H new ATOM 2703 N ASP B 67 61.490 10.510 7.608 1.00 0.00 N ATOM 2704 CA ASP B 67 62.668 11.360 7.228 1.00 0.00 C ATOM 2705 C ASP B 67 63.946 10.516 7.287 1.00 0.00 C ATOM 2706 O ASP B 67 64.305 9.991 8.323 1.00 0.00 O ATOM 2707 CB ASP B 67 62.784 12.527 8.211 1.00 0.00 C ATOM 2708 CG ASP B 67 61.613 13.489 7.999 1.00 0.00 C ATOM 2709 OD1 ASP B 67 61.018 13.443 6.935 1.00 0.00 O ATOM 2710 OD2 ASP B 67 61.332 14.255 8.906 1.00 0.00 O ATOM 0 H ASP B 67 61.475 10.209 8.583 1.00 0.00 H new ATOM 0 HA ASP B 67 62.533 11.743 6.217 1.00 0.00 H new ATOM 0 HB2 ASP B 67 62.783 12.155 9.236 1.00 0.00 H new ATOM 0 HB3 ASP B 67 63.729 13.049 8.063 1.00 0.00 H new ATOM 2715 N ASN B 68 64.638 10.384 6.186 1.00 0.00 N ATOM 2716 CA ASN B 68 65.895 9.577 6.183 1.00 0.00 C ATOM 2717 C ASN B 68 66.635 9.789 4.858 1.00 0.00 C ATOM 2718 O ASN B 68 66.693 8.913 4.026 1.00 0.00 O ATOM 2719 CB ASN B 68 65.542 8.096 6.343 1.00 0.00 C ATOM 2720 CG ASN B 68 66.814 7.248 6.274 1.00 0.00 C ATOM 2721 OD1 ASN B 68 67.049 6.563 5.297 1.00 0.00 O ATOM 2722 ND2 ASN B 68 67.649 7.260 7.276 1.00 0.00 N ATOM 0 H ASN B 68 64.388 10.800 5.289 1.00 0.00 H new ATOM 0 HA ASN B 68 66.535 9.891 7.007 1.00 0.00 H new ATOM 0 HB2 ASN B 68 65.038 7.934 7.296 1.00 0.00 H new ATOM 0 HB3 ASN B 68 64.848 7.792 5.559 1.00 0.00 H new ATOM 0 HD21 ASN B 68 68.498 6.695 7.239 1.00 0.00 H new ATOM 0 HD22 ASN B 68 67.453 7.834 8.096 1.00 0.00 H new ATOM 2729 N GLU B 69 67.198 10.948 4.655 1.00 0.00 N ATOM 2730 CA GLU B 69 67.924 11.220 3.377 1.00 0.00 C ATOM 2731 C GLU B 69 69.149 10.293 3.259 1.00 0.00 C ATOM 2732 O GLU B 69 69.394 9.474 4.123 1.00 0.00 O ATOM 2733 CB GLU B 69 68.333 12.700 3.345 1.00 0.00 C ATOM 2734 CG GLU B 69 69.574 12.941 4.204 1.00 0.00 C ATOM 2735 CD GLU B 69 69.375 12.321 5.590 1.00 0.00 C ATOM 2736 OE1 GLU B 69 68.468 12.753 6.285 1.00 0.00 O ATOM 2737 OE2 GLU B 69 70.132 11.429 5.935 1.00 0.00 O ATOM 0 H GLU B 69 67.188 11.722 5.319 1.00 0.00 H new ATOM 0 HA GLU B 69 67.276 11.017 2.524 1.00 0.00 H new ATOM 0 HB2 GLU B 69 68.532 13.004 2.317 1.00 0.00 H new ATOM 0 HB3 GLU B 69 67.510 13.317 3.706 1.00 0.00 H new ATOM 0 HG2 GLU B 69 70.450 12.506 3.723 1.00 0.00 H new ATOM 0 HG3 GLU B 69 69.760 14.011 4.298 1.00 0.00 H new ATOM 2744 N VAL B 70 69.901 10.394 2.181 1.00 0.00 N ATOM 2745 CA VAL B 70 71.088 9.495 1.986 1.00 0.00 C ATOM 2746 C VAL B 70 72.364 10.317 2.037 1.00 0.00 C ATOM 2747 O VAL B 70 72.686 11.054 1.127 1.00 0.00 O ATOM 2748 CB VAL B 70 70.979 8.811 0.605 1.00 0.00 C ATOM 2749 CG1 VAL B 70 71.548 7.393 0.661 1.00 0.00 C ATOM 2750 CG2 VAL B 70 69.516 8.735 0.191 1.00 0.00 C ATOM 0 H VAL B 70 69.741 11.063 1.427 1.00 0.00 H new ATOM 0 HA VAL B 70 71.110 8.743 2.774 1.00 0.00 H new ATOM 0 HB VAL B 70 71.547 9.397 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL B 70 71.462 6.928 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL B 70 72.597 7.433 0.953 1.00 0.00 H new ATOM 0 HG13 VAL B 70 70.991 6.806 1.391 1.00 0.00 H new ATOM 0 HG21 VAL B 70 69.438 8.253 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL B 70 68.959 8.156 0.928 1.00 0.00 H new ATOM 0 HG23 VAL B 70 69.102 9.742 0.132 1.00 0.00 H new ATOM 2760 N ASP B 71 73.115 10.143 3.070 1.00 0.00 N ATOM 2761 CA ASP B 71 74.405 10.859 3.172 1.00 0.00 C ATOM 2762 C ASP B 71 75.392 10.082 2.317 1.00 0.00 C ATOM 2763 O ASP B 71 75.083 9.011 1.831 1.00 0.00 O ATOM 2764 CB ASP B 71 74.889 10.883 4.625 1.00 0.00 C ATOM 2765 CG ASP B 71 73.992 11.804 5.457 1.00 0.00 C ATOM 2766 OD1 ASP B 71 73.297 12.615 4.869 1.00 0.00 O ATOM 2767 OD2 ASP B 71 74.018 11.680 6.671 1.00 0.00 O ATOM 0 H ASP B 71 72.893 9.532 3.856 1.00 0.00 H new ATOM 0 HA ASP B 71 74.307 11.892 2.838 1.00 0.00 H new ATOM 0 HB2 ASP B 71 74.874 9.875 5.039 1.00 0.00 H new ATOM 0 HB3 ASP B 71 75.921 11.230 4.668 1.00 0.00 H new ATOM 2772 N PHE B 72 76.572 10.575 2.125 1.00 0.00 N ATOM 2773 CA PHE B 72 77.535 9.819 1.307 1.00 0.00 C ATOM 2774 C PHE B 72 77.698 8.444 1.954 1.00 0.00 C ATOM 2775 O PHE B 72 77.798 7.432 1.290 1.00 0.00 O ATOM 2776 CB PHE B 72 78.873 10.551 1.308 1.00 0.00 C ATOM 2777 CG PHE B 72 79.857 9.791 0.466 1.00 0.00 C ATOM 2778 CD1 PHE B 72 80.650 8.796 1.043 1.00 0.00 C ATOM 2779 CD2 PHE B 72 79.977 10.085 -0.892 1.00 0.00 C ATOM 2780 CE1 PHE B 72 81.567 8.093 0.256 1.00 0.00 C ATOM 2781 CE2 PHE B 72 80.890 9.386 -1.679 1.00 0.00 C ATOM 2782 CZ PHE B 72 81.689 8.388 -1.107 1.00 0.00 C ATOM 0 H PHE B 72 76.908 11.463 2.497 1.00 0.00 H new ATOM 0 HA PHE B 72 77.189 9.721 0.278 1.00 0.00 H new ATOM 0 HB2 PHE B 72 78.748 11.561 0.918 1.00 0.00 H new ATOM 0 HB3 PHE B 72 79.247 10.647 2.327 1.00 0.00 H new ATOM 0 HD1 PHE B 72 80.555 8.570 2.095 1.00 0.00 H new ATOM 0 HD2 PHE B 72 79.362 10.855 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE B 72 82.181 7.323 0.699 1.00 0.00 H new ATOM 0 HE2 PHE B 72 80.982 9.614 -2.731 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.398 7.847 -1.716 1.00 0.00 H new ATOM 2792 N GLN B 73 77.730 8.417 3.258 1.00 0.00 N ATOM 2793 CA GLN B 73 77.894 7.131 3.985 1.00 0.00 C ATOM 2794 C GLN B 73 76.658 6.232 3.827 1.00 0.00 C ATOM 2795 O GLN B 73 76.790 5.038 3.667 1.00 0.00 O ATOM 2796 CB GLN B 73 78.099 7.415 5.472 1.00 0.00 C ATOM 2797 CG GLN B 73 78.514 6.125 6.185 1.00 0.00 C ATOM 2798 CD GLN B 73 78.867 6.431 7.642 1.00 0.00 C ATOM 2799 OE1 GLN B 73 79.156 7.655 7.992 1.00 0.00 O flip ATOM 2800 NE2 GLN B 73 78.882 5.543 8.471 1.00 0.00 N flip ATOM 0 H GLN B 73 77.649 9.240 3.855 1.00 0.00 H new ATOM 0 HA GLN B 73 78.757 6.616 3.563 1.00 0.00 H new ATOM 0 HB2 GLN B 73 78.865 8.179 5.605 1.00 0.00 H new ATOM 0 HB3 GLN B 73 77.180 7.805 5.909 1.00 0.00 H new ATOM 0 HG2 GLN B 73 77.703 5.398 6.142 1.00 0.00 H new ATOM 0 HG3 GLN B 73 79.370 5.678 5.680 1.00 0.00 H new ATOM 0 HE21 GLN B 73 78.656 4.587 8.198 1.00 0.00 H new ATOM 0 HE22 GLN B 73 79.120 5.754 9.440 1.00 0.00 H new ATOM 2809 N GLU B 74 75.454 6.761 3.877 1.00 0.00 N ATOM 2810 CA GLU B 74 74.278 5.865 3.739 1.00 0.00 C ATOM 2811 C GLU B 74 74.223 5.310 2.328 1.00 0.00 C ATOM 2812 O GLU B 74 73.904 4.158 2.119 1.00 0.00 O ATOM 2813 CB GLU B 74 72.995 6.622 4.077 1.00 0.00 C ATOM 2814 CG GLU B 74 72.960 6.907 5.580 1.00 0.00 C ATOM 2815 CD GLU B 74 71.700 7.701 5.927 1.00 0.00 C ATOM 2816 OE1 GLU B 74 70.844 7.824 5.065 1.00 0.00 O ATOM 2817 OE2 GLU B 74 71.607 8.170 7.050 1.00 0.00 O ATOM 0 H GLU B 74 75.246 7.751 4.005 1.00 0.00 H new ATOM 0 HA GLU B 74 74.373 5.034 4.437 1.00 0.00 H new ATOM 0 HB2 GLU B 74 72.951 7.556 3.517 1.00 0.00 H new ATOM 0 HB3 GLU B 74 72.124 6.034 3.786 1.00 0.00 H new ATOM 0 HG2 GLU B 74 72.976 5.971 6.138 1.00 0.00 H new ATOM 0 HG3 GLU B 74 73.847 7.468 5.874 1.00 0.00 H new ATOM 2824 N TYR B 75 74.541 6.107 1.354 1.00 0.00 N ATOM 2825 CA TYR B 75 74.504 5.597 -0.035 1.00 0.00 C ATOM 2826 C TYR B 75 75.474 4.410 -0.140 1.00 0.00 C ATOM 2827 O TYR B 75 75.183 3.411 -0.768 1.00 0.00 O ATOM 2828 CB TYR B 75 74.923 6.719 -0.997 1.00 0.00 C ATOM 2829 CG TYR B 75 75.219 6.151 -2.372 1.00 0.00 C ATOM 2830 CD1 TYR B 75 74.254 5.384 -3.040 1.00 0.00 C ATOM 2831 CD2 TYR B 75 76.458 6.396 -2.981 1.00 0.00 C ATOM 2832 CE1 TYR B 75 74.529 4.863 -4.310 1.00 0.00 C ATOM 2833 CE2 TYR B 75 76.730 5.875 -4.251 1.00 0.00 C ATOM 2834 CZ TYR B 75 75.767 5.109 -4.915 1.00 0.00 C ATOM 2835 OH TYR B 75 76.036 4.596 -6.168 1.00 0.00 O ATOM 0 H TYR B 75 74.823 7.082 1.459 1.00 0.00 H new ATOM 0 HA TYR B 75 73.498 5.270 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR B 75 74.129 7.463 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR B 75 75.805 7.229 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR B 75 73.298 5.195 -2.575 1.00 0.00 H new ATOM 0 HD2 TYR B 75 77.203 6.987 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR B 75 73.786 4.271 -4.823 1.00 0.00 H new ATOM 0 HE2 TYR B 75 77.685 6.065 -4.719 1.00 0.00 H new ATOM 0 HH TYR B 75 76.939 4.861 -6.443 1.00 0.00 H new ATOM 2845 N CYS B 76 76.614 4.508 0.492 1.00 0.00 N ATOM 2846 CA CYS B 76 77.597 3.391 0.461 1.00 0.00 C ATOM 2847 C CYS B 76 77.047 2.231 1.277 1.00 0.00 C ATOM 2848 O CYS B 76 77.162 1.085 0.892 1.00 0.00 O ATOM 2849 CB CYS B 76 78.929 3.841 1.062 1.00 0.00 C ATOM 2850 SG CYS B 76 80.086 2.448 1.061 1.00 0.00 S ATOM 0 H CYS B 76 76.906 5.322 1.032 1.00 0.00 H new ATOM 0 HA CYS B 76 77.761 3.084 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS B 76 79.340 4.670 0.486 1.00 0.00 H new ATOM 0 HB3 CYS B 76 78.779 4.203 2.079 1.00 0.00 H new ATOM 0 HG CYS B 76 79.594 1.474 1.768 1.00 0.00 H new ATOM 2856 N VAL B 77 76.428 2.508 2.394 1.00 0.00 N ATOM 2857 CA VAL B 77 75.868 1.392 3.187 1.00 0.00 C ATOM 2858 C VAL B 77 74.852 0.684 2.308 1.00 0.00 C ATOM 2859 O VAL B 77 74.781 -0.529 2.273 1.00 0.00 O ATOM 2860 CB VAL B 77 75.187 1.941 4.442 1.00 0.00 C ATOM 2861 CG1 VAL B 77 74.387 0.832 5.128 1.00 0.00 C ATOM 2862 CG2 VAL B 77 76.256 2.459 5.407 1.00 0.00 C ATOM 0 H VAL B 77 76.291 3.442 2.780 1.00 0.00 H new ATOM 0 HA VAL B 77 76.652 0.703 3.501 1.00 0.00 H new ATOM 0 HB VAL B 77 74.513 2.750 4.161 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.905 1.230 6.021 1.00 0.00 H new ATOM 0 HG12 VAL B 77 73.628 0.454 4.443 1.00 0.00 H new ATOM 0 HG13 VAL B 77 75.058 0.020 5.409 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.777 2.852 6.304 1.00 0.00 H new ATOM 0 HG22 VAL B 77 76.925 1.643 5.681 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.828 3.251 4.925 1.00 0.00 H new ATOM 2872 N PHE B 78 74.084 1.433 1.567 1.00 0.00 N ATOM 2873 CA PHE B 78 73.103 0.792 0.665 1.00 0.00 C ATOM 2874 C PHE B 78 73.854 0.104 -0.476 1.00 0.00 C ATOM 2875 O PHE B 78 73.518 -0.991 -0.867 1.00 0.00 O ATOM 2876 CB PHE B 78 72.140 1.840 0.090 1.00 0.00 C ATOM 2877 CG PHE B 78 71.120 2.240 1.138 1.00 0.00 C ATOM 2878 CD1 PHE B 78 70.217 1.289 1.635 1.00 0.00 C ATOM 2879 CD2 PHE B 78 71.075 3.558 1.614 1.00 0.00 C ATOM 2880 CE1 PHE B 78 69.274 1.655 2.603 1.00 0.00 C ATOM 2881 CE2 PHE B 78 70.132 3.922 2.584 1.00 0.00 C ATOM 2882 CZ PHE B 78 69.233 2.971 3.078 1.00 0.00 C ATOM 0 H PHE B 78 74.097 2.453 1.550 1.00 0.00 H new ATOM 0 HA PHE B 78 72.523 0.059 1.227 1.00 0.00 H new ATOM 0 HB2 PHE B 78 72.698 2.717 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE B 78 71.633 1.437 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE B 78 70.249 0.273 1.271 1.00 0.00 H new ATOM 0 HD2 PHE B 78 71.768 4.293 1.233 1.00 0.00 H new ATOM 0 HE1 PHE B 78 68.578 0.922 2.983 1.00 0.00 H new ATOM 0 HE2 PHE B 78 70.099 4.937 2.951 1.00 0.00 H new ATOM 0 HZ PHE B 78 68.507 3.252 3.826 1.00 0.00 H new ATOM 2892 N LEU B 79 74.877 0.724 -1.011 1.00 0.00 N ATOM 2893 CA LEU B 79 75.623 0.066 -2.126 1.00 0.00 C ATOM 2894 C LEU B 79 76.275 -1.213 -1.602 1.00 0.00 C ATOM 2895 O LEU B 79 76.305 -2.232 -2.264 1.00 0.00 O ATOM 2896 CB LEU B 79 76.697 1.014 -2.672 1.00 0.00 C ATOM 2897 CG LEU B 79 77.410 0.378 -3.878 1.00 0.00 C ATOM 2898 CD1 LEU B 79 76.412 0.138 -5.030 1.00 0.00 C ATOM 2899 CD2 LEU B 79 78.522 1.328 -4.346 1.00 0.00 C ATOM 0 H LEU B 79 75.223 1.641 -0.730 1.00 0.00 H new ATOM 0 HA LEU B 79 74.932 -0.178 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU B 79 76.241 1.959 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU B 79 77.422 1.241 -1.891 1.00 0.00 H new ATOM 0 HG LEU B 79 77.833 -0.583 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU B 79 76.933 -0.312 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU B 79 75.621 -0.532 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU B 79 75.976 1.088 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU B 79 79.038 0.891 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU B 79 78.086 2.284 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU B 79 79.233 1.484 -3.535 1.00 0.00 H new ATOM 2911 N SER B 80 76.800 -1.159 -0.411 1.00 0.00 N ATOM 2912 CA SER B 80 77.460 -2.357 0.183 1.00 0.00 C ATOM 2913 C SER B 80 76.410 -3.433 0.441 1.00 0.00 C ATOM 2914 O SER B 80 76.587 -4.585 0.094 1.00 0.00 O ATOM 2915 CB SER B 80 78.124 -1.969 1.504 1.00 0.00 C ATOM 2916 OG SER B 80 78.915 -3.054 1.970 1.00 0.00 O ATOM 0 H SER B 80 76.801 -0.330 0.183 1.00 0.00 H new ATOM 0 HA SER B 80 78.215 -2.738 -0.505 1.00 0.00 H new ATOM 0 HB2 SER B 80 78.746 -1.084 1.366 1.00 0.00 H new ATOM 0 HB3 SER B 80 77.366 -1.713 2.244 1.00 0.00 H new ATOM 0 HG SER B 80 79.343 -2.807 2.816 1.00 0.00 H new ATOM 2922 N CYS B 81 75.307 -3.062 1.027 1.00 0.00 N ATOM 2923 CA CYS B 81 74.240 -4.063 1.279 1.00 0.00 C ATOM 2924 C CYS B 81 73.814 -4.623 -0.065 1.00 0.00 C ATOM 2925 O CYS B 81 73.500 -5.787 -0.198 1.00 0.00 O ATOM 2926 CB CYS B 81 73.045 -3.405 1.987 1.00 0.00 C ATOM 2927 SG CYS B 81 72.007 -2.523 0.792 1.00 0.00 S ATOM 0 H CYS B 81 75.100 -2.114 1.340 1.00 0.00 H new ATOM 0 HA CYS B 81 74.609 -4.859 1.925 1.00 0.00 H new ATOM 0 HB2 CYS B 81 72.455 -4.165 2.499 1.00 0.00 H new ATOM 0 HB3 CYS B 81 73.402 -2.712 2.749 1.00 0.00 H new ATOM 0 HG CYS B 81 72.760 -1.816 0.002 1.00 0.00 H new ATOM 2933 N ILE B 82 73.819 -3.795 -1.069 1.00 0.00 N ATOM 2934 CA ILE B 82 73.428 -4.274 -2.421 1.00 0.00 C ATOM 2935 C ILE B 82 74.490 -5.237 -2.938 1.00 0.00 C ATOM 2936 O ILE B 82 74.190 -6.244 -3.544 1.00 0.00 O ATOM 2937 CB ILE B 82 73.278 -3.077 -3.365 1.00 0.00 C ATOM 2938 CG1 ILE B 82 72.006 -2.304 -2.986 1.00 0.00 C ATOM 2939 CG2 ILE B 82 73.185 -3.553 -4.827 1.00 0.00 C ATOM 2940 CD1 ILE B 82 72.067 -0.884 -3.554 1.00 0.00 C ATOM 0 H ILE B 82 74.076 -2.810 -1.013 1.00 0.00 H new ATOM 0 HA ILE B 82 72.473 -4.797 -2.370 1.00 0.00 H new ATOM 0 HB ILE B 82 74.150 -2.430 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE B 82 71.128 -2.821 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE B 82 71.903 -2.267 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE B 82 73.079 -2.690 -5.485 1.00 0.00 H new ATOM 0 HG22 ILE B 82 74.090 -4.100 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE B 82 72.320 -4.206 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE B 82 71.161 -0.343 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE B 82 72.935 -0.366 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE B 82 72.148 -0.930 -4.640 1.00 0.00 H new ATOM 2952 N ALA B 83 75.731 -4.942 -2.704 1.00 0.00 N ATOM 2953 CA ALA B 83 76.793 -5.857 -3.180 1.00 0.00 C ATOM 2954 C ALA B 83 76.670 -7.188 -2.433 1.00 0.00 C ATOM 2955 O ALA B 83 76.593 -8.245 -3.027 1.00 0.00 O ATOM 2956 CB ALA B 83 78.157 -5.233 -2.910 1.00 0.00 C ATOM 0 H ALA B 83 76.055 -4.112 -2.207 1.00 0.00 H new ATOM 0 HA ALA B 83 76.687 -6.029 -4.251 1.00 0.00 H new ATOM 0 HB1 ALA B 83 78.940 -5.905 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA B 83 78.233 -4.282 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA B 83 78.275 -5.065 -1.840 1.00 0.00 H new ATOM 2962 N MET B 84 76.621 -7.145 -1.129 1.00 0.00 N ATOM 2963 CA MET B 84 76.475 -8.410 -0.356 1.00 0.00 C ATOM 2964 C MET B 84 75.172 -9.073 -0.762 1.00 0.00 C ATOM 2965 O MET B 84 75.054 -10.283 -0.778 1.00 0.00 O ATOM 2966 CB MET B 84 76.459 -8.120 1.140 1.00 0.00 C ATOM 2967 CG MET B 84 77.852 -7.679 1.596 1.00 0.00 C ATOM 2968 SD MET B 84 77.812 -7.340 3.370 1.00 0.00 S ATOM 2969 CE MET B 84 76.688 -5.923 3.304 1.00 0.00 C ATOM 0 H MET B 84 76.675 -6.294 -0.569 1.00 0.00 H new ATOM 0 HA MET B 84 77.317 -9.068 -0.569 1.00 0.00 H new ATOM 0 HB2 MET B 84 75.730 -7.340 1.361 1.00 0.00 H new ATOM 0 HB3 MET B 84 76.151 -9.010 1.689 1.00 0.00 H new ATOM 0 HG2 MET B 84 78.583 -8.457 1.378 1.00 0.00 H new ATOM 0 HG3 MET B 84 78.162 -6.788 1.050 1.00 0.00 H new ATOM 0 HE1 MET B 84 76.854 -5.286 4.173 1.00 0.00 H new ATOM 0 HE2 MET B 84 76.876 -5.352 2.395 1.00 0.00 H new ATOM 0 HE3 MET B 84 75.657 -6.276 3.304 1.00 0.00 H new ATOM 2979 N MET B 85 74.190 -8.291 -1.107 1.00 0.00 N ATOM 2980 CA MET B 85 72.904 -8.887 -1.528 1.00 0.00 C ATOM 2981 C MET B 85 73.193 -9.769 -2.733 1.00 0.00 C ATOM 2982 O MET B 85 72.635 -10.840 -2.870 1.00 0.00 O ATOM 2983 CB MET B 85 71.903 -7.787 -1.906 1.00 0.00 C ATOM 2984 CG MET B 85 70.541 -8.408 -2.228 1.00 0.00 C ATOM 2985 SD MET B 85 69.331 -7.092 -2.521 1.00 0.00 S ATOM 2986 CE MET B 85 69.663 -6.853 -4.284 1.00 0.00 C ATOM 0 H MET B 85 74.226 -7.272 -1.114 1.00 0.00 H new ATOM 0 HA MET B 85 72.466 -9.468 -0.717 1.00 0.00 H new ATOM 0 HB2 MET B 85 71.803 -7.077 -1.085 1.00 0.00 H new ATOM 0 HB3 MET B 85 72.271 -7.229 -2.767 1.00 0.00 H new ATOM 0 HG2 MET B 85 70.620 -9.047 -3.108 1.00 0.00 H new ATOM 0 HG3 MET B 85 70.214 -9.041 -1.403 1.00 0.00 H new ATOM 0 HE1 MET B 85 69.013 -6.070 -4.674 1.00 0.00 H new ATOM 0 HE2 MET B 85 70.704 -6.562 -4.422 1.00 0.00 H new ATOM 0 HE3 MET B 85 69.472 -7.783 -4.820 1.00 0.00 H new ATOM 2996 N CYS B 86 74.083 -9.350 -3.602 1.00 0.00 N ATOM 2997 CA CYS B 86 74.400 -10.216 -4.775 1.00 0.00 C ATOM 2998 C CYS B 86 75.484 -9.589 -5.664 1.00 0.00 C ATOM 2999 O CYS B 86 75.206 -9.143 -6.759 1.00 0.00 O ATOM 3000 CB CYS B 86 73.124 -10.435 -5.603 1.00 0.00 C ATOM 3001 SG CYS B 86 72.152 -8.909 -5.620 1.00 0.00 S ATOM 0 H CYS B 86 74.591 -8.467 -3.551 1.00 0.00 H new ATOM 0 HA CYS B 86 74.779 -11.168 -4.402 1.00 0.00 H new ATOM 0 HB2 CYS B 86 73.383 -10.726 -6.621 1.00 0.00 H new ATOM 0 HB3 CYS B 86 72.537 -11.249 -5.178 1.00 0.00 H new ATOM 0 HG CYS B 86 71.073 -9.090 -6.321 1.00 0.00 H new ATOM 3007 N ASN B 87 76.721 -9.587 -5.225 1.00 0.00 N ATOM 3008 CA ASN B 87 77.821 -9.025 -6.081 1.00 0.00 C ATOM 3009 C ASN B 87 78.564 -10.185 -6.750 1.00 0.00 C ATOM 3010 O ASN B 87 78.678 -10.251 -7.957 1.00 0.00 O ATOM 3011 CB ASN B 87 78.816 -8.227 -5.222 1.00 0.00 C ATOM 3012 CG ASN B 87 79.615 -7.277 -6.119 1.00 0.00 C ATOM 3013 OD1 ASN B 87 79.407 -6.080 -6.094 1.00 0.00 O ATOM 3014 ND2 ASN B 87 80.522 -7.764 -6.920 1.00 0.00 N ATOM 0 H ASN B 87 77.017 -9.947 -4.318 1.00 0.00 H new ATOM 0 HA ASN B 87 77.388 -8.362 -6.830 1.00 0.00 H new ATOM 0 HB2 ASN B 87 78.282 -7.661 -4.459 1.00 0.00 H new ATOM 0 HB3 ASN B 87 79.491 -8.907 -4.701 1.00 0.00 H new ATOM 0 HD21 ASN B 87 81.056 -7.140 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN B 87 80.697 -8.769 -6.941 1.00 0.00 H new ATOM 3021 N GLU B 88 79.067 -11.101 -5.967 1.00 0.00 N ATOM 3022 CA GLU B 88 79.798 -12.256 -6.549 1.00 0.00 C ATOM 3023 C GLU B 88 78.802 -13.188 -7.233 1.00 0.00 C ATOM 3024 O GLU B 88 77.702 -13.392 -6.761 1.00 0.00 O ATOM 3025 CB GLU B 88 80.539 -13.020 -5.451 1.00 0.00 C ATOM 3026 CG GLU B 88 81.658 -12.144 -4.884 1.00 0.00 C ATOM 3027 CD GLU B 88 82.412 -12.915 -3.801 1.00 0.00 C ATOM 3028 OE1 GLU B 88 82.110 -14.083 -3.614 1.00 0.00 O ATOM 3029 OE2 GLU B 88 83.280 -12.327 -3.176 1.00 0.00 O ATOM 0 H GLU B 88 79.002 -11.097 -4.949 1.00 0.00 H new ATOM 0 HA GLU B 88 80.523 -11.890 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU B 88 79.846 -13.301 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU B 88 80.955 -13.944 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU B 88 82.343 -11.851 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU B 88 81.241 -11.227 -4.468 1.00 0.00 H new ATOM 3036 N PHE B 89 79.180 -13.754 -8.338 1.00 0.00 N ATOM 3037 CA PHE B 89 78.256 -14.675 -9.056 1.00 0.00 C ATOM 3038 C PHE B 89 78.089 -15.959 -8.237 1.00 0.00 C ATOM 3039 O PHE B 89 77.078 -16.631 -8.312 1.00 0.00 O ATOM 3040 CB PHE B 89 78.840 -15.012 -10.428 1.00 0.00 C ATOM 3041 CG PHE B 89 78.810 -13.779 -11.296 1.00 0.00 C ATOM 3042 CD1 PHE B 89 77.684 -13.498 -12.079 1.00 0.00 C ATOM 3043 CD2 PHE B 89 79.911 -12.916 -11.318 1.00 0.00 C ATOM 3044 CE1 PHE B 89 77.660 -12.352 -12.884 1.00 0.00 C ATOM 3045 CE2 PHE B 89 79.887 -11.771 -12.122 1.00 0.00 C ATOM 3046 CZ PHE B 89 78.763 -11.489 -12.905 1.00 0.00 C ATOM 0 H PHE B 89 80.090 -13.621 -8.779 1.00 0.00 H new ATOM 0 HA PHE B 89 77.285 -14.197 -9.186 1.00 0.00 H new ATOM 0 HB2 PHE B 89 79.863 -15.372 -10.322 1.00 0.00 H new ATOM 0 HB3 PHE B 89 78.266 -15.813 -10.894 1.00 0.00 H new ATOM 0 HD1 PHE B 89 76.834 -14.164 -12.062 1.00 0.00 H new ATOM 0 HD2 PHE B 89 80.780 -13.134 -10.714 1.00 0.00 H new ATOM 0 HE1 PHE B 89 76.792 -12.134 -13.488 1.00 0.00 H new ATOM 0 HE2 PHE B 89 80.737 -11.105 -12.138 1.00 0.00 H new ATOM 0 HZ PHE B 89 78.746 -10.606 -13.526 1.00 0.00 H new ATOM 3056 N PHE B 90 79.078 -16.303 -7.457 1.00 0.00 N ATOM 3057 CA PHE B 90 78.998 -17.544 -6.629 1.00 0.00 C ATOM 3058 C PHE B 90 78.371 -17.215 -5.275 1.00 0.00 C ATOM 3059 O PHE B 90 78.218 -18.071 -4.427 1.00 0.00 O ATOM 3060 CB PHE B 90 80.408 -18.096 -6.410 1.00 0.00 C ATOM 3061 CG PHE B 90 81.060 -18.328 -7.749 1.00 0.00 C ATOM 3062 CD1 PHE B 90 81.544 -17.241 -8.479 1.00 0.00 C ATOM 3063 CD2 PHE B 90 81.171 -19.625 -8.264 1.00 0.00 C ATOM 3064 CE1 PHE B 90 82.141 -17.444 -9.724 1.00 0.00 C ATOM 3065 CE2 PHE B 90 81.769 -19.830 -9.513 1.00 0.00 C ATOM 3066 CZ PHE B 90 82.255 -18.739 -10.244 1.00 0.00 C ATOM 0 H PHE B 90 79.945 -15.775 -7.356 1.00 0.00 H new ATOM 0 HA PHE B 90 78.387 -18.286 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE B 90 80.999 -17.395 -5.820 1.00 0.00 H new ATOM 0 HB3 PHE B 90 80.364 -19.028 -5.847 1.00 0.00 H new ATOM 0 HD1 PHE B 90 81.456 -16.241 -8.080 1.00 0.00 H new ATOM 0 HD2 PHE B 90 80.796 -20.466 -7.699 1.00 0.00 H new ATOM 0 HE1 PHE B 90 82.515 -16.602 -10.287 1.00 0.00 H new ATOM 0 HE2 PHE B 90 81.856 -20.830 -9.913 1.00 0.00 H new ATOM 0 HZ PHE B 90 82.717 -18.896 -11.207 1.00 0.00 H new ATOM 3076 N GLU B 91 78.017 -15.979 -5.059 1.00 0.00 N ATOM 3077 CA GLU B 91 77.408 -15.602 -3.747 1.00 0.00 C ATOM 3078 C GLU B 91 76.267 -16.569 -3.415 1.00 0.00 C ATOM 3079 O GLU B 91 75.380 -16.798 -4.213 1.00 0.00 O ATOM 3080 CB GLU B 91 76.853 -14.169 -3.830 1.00 0.00 C ATOM 3081 CG GLU B 91 76.659 -13.599 -2.419 1.00 0.00 C ATOM 3082 CD GLU B 91 75.558 -14.379 -1.696 1.00 0.00 C ATOM 3083 OE1 GLU B 91 74.442 -14.380 -2.187 1.00 0.00 O ATOM 3084 OE2 GLU B 91 75.849 -14.958 -0.662 1.00 0.00 O ATOM 0 H GLU B 91 78.121 -15.216 -5.728 1.00 0.00 H new ATOM 0 HA GLU B 91 78.169 -15.654 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU B 91 77.538 -13.537 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU B 91 75.903 -14.168 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU B 91 77.592 -13.663 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU B 91 76.393 -12.543 -2.476 1.00 0.00 H new ATOM 3091 N GLY B 92 76.284 -17.134 -2.236 1.00 0.00 N ATOM 3092 CA GLY B 92 75.202 -18.083 -1.838 1.00 0.00 C ATOM 3093 C GLY B 92 74.053 -17.304 -1.195 1.00 0.00 C ATOM 3094 O GLY B 92 73.417 -16.485 -1.827 1.00 0.00 O ATOM 0 H GLY B 92 77.003 -16.979 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY B 92 74.843 -18.628 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY B 92 75.591 -18.822 -1.138 1.00 0.00 H new ATOM 3098 N PHE B 93 73.783 -17.553 0.058 1.00 0.00 N ATOM 3099 CA PHE B 93 72.675 -16.826 0.743 1.00 0.00 C ATOM 3100 C PHE B 93 73.118 -15.378 1.031 1.00 0.00 C ATOM 3101 O PHE B 93 74.291 -15.127 1.221 1.00 0.00 O ATOM 3102 CB PHE B 93 72.356 -17.531 2.064 1.00 0.00 C ATOM 3103 CG PHE B 93 71.674 -18.848 1.785 1.00 0.00 C ATOM 3104 CD1 PHE B 93 70.285 -18.894 1.612 1.00 0.00 C ATOM 3105 CD2 PHE B 93 72.430 -20.022 1.703 1.00 0.00 C ATOM 3106 CE1 PHE B 93 69.653 -20.117 1.357 1.00 0.00 C ATOM 3107 CE2 PHE B 93 71.799 -21.245 1.449 1.00 0.00 C ATOM 3108 CZ PHE B 93 70.411 -21.292 1.276 1.00 0.00 C ATOM 0 H PHE B 93 74.282 -18.228 0.637 1.00 0.00 H new ATOM 0 HA PHE B 93 71.790 -16.817 0.107 1.00 0.00 H new ATOM 0 HB2 PHE B 93 73.273 -17.698 2.629 1.00 0.00 H new ATOM 0 HB3 PHE B 93 71.713 -16.900 2.678 1.00 0.00 H new ATOM 0 HD1 PHE B 93 69.702 -17.987 1.675 1.00 0.00 H new ATOM 0 HD2 PHE B 93 73.501 -19.985 1.836 1.00 0.00 H new ATOM 0 HE1 PHE B 93 68.582 -20.154 1.223 1.00 0.00 H new ATOM 0 HE2 PHE B 93 72.383 -22.152 1.387 1.00 0.00 H new ATOM 0 HZ PHE B 93 69.924 -22.236 1.080 1.00 0.00 H new ATOM 3118 N PRO B 94 72.206 -14.423 1.077 1.00 0.00 N ATOM 3119 CA PRO B 94 72.597 -13.011 1.366 1.00 0.00 C ATOM 3120 C PRO B 94 73.101 -12.836 2.811 1.00 0.00 C ATOM 3121 O PRO B 94 72.630 -13.491 3.721 1.00 0.00 O ATOM 3122 CB PRO B 94 71.276 -12.253 1.136 1.00 0.00 C ATOM 3123 CG PRO B 94 70.135 -13.284 1.130 1.00 0.00 C ATOM 3124 CD PRO B 94 70.749 -14.663 0.844 1.00 0.00 C ATOM 0 HA PRO B 94 73.421 -12.657 0.747 1.00 0.00 H new ATOM 0 HB2 PRO B 94 71.118 -11.514 1.921 1.00 0.00 H new ATOM 0 HB3 PRO B 94 71.306 -11.712 0.190 1.00 0.00 H new ATOM 0 HG2 PRO B 94 69.618 -13.288 2.090 1.00 0.00 H new ATOM 0 HG3 PRO B 94 69.395 -13.030 0.371 1.00 0.00 H new ATOM 0 HD2 PRO B 94 70.352 -15.430 1.510 1.00 0.00 H new ATOM 0 HD3 PRO B 94 70.550 -14.992 -0.176 1.00 0.00 H new ATOM 3132 N ASP B 95 74.055 -11.959 3.020 1.00 0.00 N ATOM 3133 CA ASP B 95 74.605 -11.724 4.398 1.00 0.00 C ATOM 3134 C ASP B 95 74.260 -10.302 4.855 1.00 0.00 C ATOM 3135 O ASP B 95 75.095 -9.584 5.366 1.00 0.00 O ATOM 3136 CB ASP B 95 76.126 -11.886 4.366 1.00 0.00 C ATOM 3137 CG ASP B 95 76.669 -11.883 5.796 1.00 0.00 C ATOM 3138 OD1 ASP B 95 75.954 -11.440 6.679 1.00 0.00 O ATOM 3139 OD2 ASP B 95 77.790 -12.326 5.983 1.00 0.00 O ATOM 0 H ASP B 95 74.481 -11.390 2.289 1.00 0.00 H new ATOM 0 HA ASP B 95 74.169 -12.444 5.091 1.00 0.00 H new ATOM 0 HB2 ASP B 95 76.393 -12.817 3.866 1.00 0.00 H new ATOM 0 HB3 ASP B 95 76.577 -11.076 3.793 1.00 0.00 H new ATOM 3144 N LYS B 96 73.037 -9.890 4.669 1.00 0.00 N ATOM 3145 CA LYS B 96 72.634 -8.514 5.085 1.00 0.00 C ATOM 3146 C LYS B 96 72.335 -8.493 6.589 1.00 0.00 C ATOM 3147 O LYS B 96 72.148 -7.450 7.183 1.00 0.00 O ATOM 3148 CB LYS B 96 71.385 -8.113 4.294 1.00 0.00 C ATOM 3149 CG LYS B 96 71.052 -6.639 4.535 1.00 0.00 C ATOM 3150 CD LYS B 96 69.894 -6.236 3.620 1.00 0.00 C ATOM 3151 CE LYS B 96 69.561 -4.758 3.829 1.00 0.00 C ATOM 3152 NZ LYS B 96 68.556 -4.329 2.815 1.00 0.00 N ATOM 0 H LYS B 96 72.295 -10.448 4.245 1.00 0.00 H new ATOM 0 HA LYS B 96 73.441 -7.810 4.883 1.00 0.00 H new ATOM 0 HB2 LYS B 96 71.549 -8.286 3.230 1.00 0.00 H new ATOM 0 HB3 LYS B 96 70.542 -8.736 4.592 1.00 0.00 H new ATOM 0 HG2 LYS B 96 70.781 -6.480 5.579 1.00 0.00 H new ATOM 0 HG3 LYS B 96 71.925 -6.018 4.334 1.00 0.00 H new ATOM 0 HD2 LYS B 96 70.162 -6.414 2.579 1.00 0.00 H new ATOM 0 HD3 LYS B 96 69.019 -6.849 3.834 1.00 0.00 H new ATOM 0 HE2 LYS B 96 69.170 -4.601 4.834 1.00 0.00 H new ATOM 0 HE3 LYS B 96 70.464 -4.154 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 68.722 -3.334 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 68.645 -4.922 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 67.599 -4.431 3.210 1.00 0.00 H new