USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= -5.92! K(o=-7.4!,f=-2.9) USER MOD Set 1.2: B 84 MET CE :methyl 134:sc= -1.49 (180deg=-1.33) USER MOD Set 2.1: A 76 SER OG : rot -84:sc= -0.0126 USER MOD Set 2.2: B 80 SER OG : rot -74:sc= -0.277 USER MOD Set 3.1: A 80 SER OG : rot -75:sc= -0.228 USER MOD Set 3.2: B 76 SER OG : rot -80:sc=-0.00848 USER MOD Set 4.1: A 84 MET CE :methyl 132:sc= -1.41 (180deg=-1.21) USER MOD Set 4.2: B 73 GLN : amide:sc= -5.97! K(o=-7.4!,f=-2.5) USER MOD Set 5.1: B 56 GLN : amide:sc= -2.38 K(o=-2.5,f=0.093) USER MOD Set 5.2: B 59 MET CE :methyl -173:sc= -1.74 (180deg=-0.515) USER MOD Set 5.3: B 60 SER OG : rot -8:sc= 1.61 USER MOD Set 6.1: A 44 SER OG : rot -7:sc= -0.341 USER MOD Set 6.2: B 7 LYS NZ :NH3+ 136:sc= -0.119 (180deg=-1.48!) USER MOD Set 7.1: A 19 TYR OH : rot 92:sc= 1.77 USER MOD Set 7.2: B 1 MET N :NH3+ -150:sc= 1.32 (180deg=0.9) USER MOD Set 8.1: A 56 GLN : amide:sc= -2.38 K(o=-2.5,f=0.0034) USER MOD Set 8.2: A 59 MET CE :methyl -170:sc= -1.72 (180deg=-0.507) USER MOD Set 8.3: A 60 SER OG : rot -11:sc= 1.6 USER MOD Set 9.1: A 7 LYS NZ :NH3+ 139:sc= -0.184 (180deg=-1.63!) USER MOD Set 9.2: B 44 SER OG : rot -7:sc= -0.413 USER MOD Set10.1: A 1 MET N :NH3+ -151:sc= 1.24 (180deg=1.01) USER MOD Set10.2: B 19 TYR OH : rot 91:sc= 1.66 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0848 USER MOD Single : A 12 MET CE :methyl 141:sc= -1.38 (180deg=-2.55!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 17 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-5.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -149:sc= -1.32! USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -1.66! (180deg=-3.56!) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.0263 (180deg=-0.201) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 1.31 (180deg=1.14) USER MOD Single : A 30 ASN : amide:sc= -3.43! K(o=-3.4!,f=-1.9) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -15:sc= 0.323 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0138 (180deg=-0.153) USER MOD Single : A 50 THR OG1 : rot 51:sc= 0.0268 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.122 (180deg=-0.272) USER MOD Single : A 61 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -5.12! C(o=-5.1!,f=-9.4!) USER MOD Single : A 68 ASN : amide:sc= -3.34! K(o=-3.3!,f=-0.84) USER MOD Single : A 75 TYR OH : rot -101:sc= 0.321 USER MOD Single : A 81 SER OG : rot 81:sc= 1.23 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 87:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= -10.9! C(o=-11!,f=-8.2!) USER MOD Single : A 96 LYS NZ :NH3+ 140:sc= -0.196 (180deg=-4.87!) USER MOD Single : A 97 GLN : amide:sc= -3.99! C(o=-4!,f=-4.4!) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -0.0294 (180deg=-0.25) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0.0953 USER MOD Single : B 12 MET CE :methyl 143:sc= -1.41 (180deg=-2.55!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= -0.369 USER MOD Single : B 17 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-5!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot -152:sc= -1.34! USER MOD Single : B 22 LYS NZ :NH3+ -131:sc= -1.27! (180deg=-3.51!) USER MOD Single : B 26 LYS NZ :NH3+ -167:sc=-0.00684 (180deg=-0.171) USER MOD Single : B 28 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.17) USER MOD Single : B 30 ASN : amide:sc= -3.65! K(o=-3.7!,f=-2.1) USER MOD Single : B 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00299) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -16:sc= 0.338 USER MOD Single : B 48 LYS NZ :NH3+ -168:sc= -0.0147 (180deg=-0.163) USER MOD Single : B 50 THR OG1 : rot 52:sc= 0.0266 USER MOD Single : B 57 LYS NZ :NH3+ -167:sc= -0.124 (180deg=-0.294) USER MOD Single : B 61 ASN : amide:sc= -0.5 K(o=-0.5,f=-1.3) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -5.06! C(o=-5.1!,f=-9.4!) USER MOD Single : B 68 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.86) USER MOD Single : B 75 TYR OH : rot -118:sc= 0.246 USER MOD Single : B 81 SER OG : rot 72:sc= 1.22 USER MOD Single : B 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 86 SER OG : rot 75:sc= 1.23 USER MOD Single : B 87 ASN : amide:sc= -11.2! C(o=-11!,f=-8.5!) USER MOD Single : B 96 LYS NZ :NH3+ 135:sc= -0.139 (180deg=-4.81!) USER MOD Single : B 97 GLN : amide:sc= -4.11! C(o=-4.1!,f=-4.4!) USER MOD Single : B 100 LYS NZ :NH3+ -166:sc= -0.0165 (180deg=-0.234) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.066 -0.555 12.425 1.00 3.80 N ATOM 2 CA MET A 1 -11.854 0.737 13.105 1.00 3.21 C ATOM 3 C MET A 1 -10.371 1.064 13.113 1.00 2.41 C ATOM 4 O MET A 1 -9.694 0.944 14.137 1.00 2.60 O ATOM 5 CB MET A 1 -12.401 0.691 14.535 1.00 3.84 C ATOM 6 CG MET A 1 -12.395 2.041 15.235 1.00 4.40 C ATOM 7 SD MET A 1 -13.441 3.253 14.405 1.00 5.09 S ATOM 8 CE MET A 1 -13.216 4.678 15.468 1.00 5.69 C ATOM 0 H1 MET A 1 -13.008 -0.565 11.984 1.00 3.80 H new ATOM 0 H2 MET A 1 -11.339 -0.685 11.693 1.00 3.80 H new ATOM 0 H3 MET A 1 -12.001 -1.327 13.119 1.00 3.80 H new ATOM 0 HA MET A 1 -12.391 1.517 12.565 1.00 3.21 H new ATOM 0 HB2 MET A 1 -13.421 0.308 14.512 1.00 3.84 H new ATOM 0 HB3 MET A 1 -11.809 -0.014 15.119 1.00 3.84 H new ATOM 0 HG2 MET A 1 -12.735 1.915 16.263 1.00 4.40 H new ATOM 0 HG3 MET A 1 -11.373 2.418 15.281 1.00 4.40 H new ATOM 0 HE1 MET A 1 -13.802 5.514 15.085 1.00 5.69 H new ATOM 0 HE2 MET A 1 -13.547 4.435 16.478 1.00 5.69 H new ATOM 0 HE3 MET A 1 -12.162 4.954 15.489 1.00 5.69 H new ATOM 20 N ALA A 2 -9.863 1.461 11.958 1.00 1.66 N ATOM 21 CA ALA A 2 -8.460 1.756 11.815 1.00 0.97 C ATOM 22 C ALA A 2 -8.164 3.158 12.294 1.00 0.80 C ATOM 23 O ALA A 2 -8.127 4.121 11.537 1.00 0.90 O ATOM 24 CB ALA A 2 -7.965 1.546 10.404 1.00 0.82 C ATOM 0 H ALA A 2 -10.410 1.585 11.106 1.00 1.66 H new ATOM 0 HA ALA A 2 -7.916 1.050 12.442 1.00 0.97 H new ATOM 0 HB1 ALA A 2 -6.902 1.783 10.352 1.00 0.82 H new ATOM 0 HB2 ALA A 2 -8.120 0.506 10.115 1.00 0.82 H new ATOM 0 HB3 ALA A 2 -8.515 2.197 9.725 1.00 0.82 H new ATOM 30 N SER A 3 -8.073 3.235 13.589 1.00 0.79 N ATOM 31 CA SER A 3 -7.441 4.317 14.323 1.00 0.78 C ATOM 32 C SER A 3 -6.019 4.579 13.743 1.00 0.65 C ATOM 33 O SER A 3 -5.788 4.280 12.578 1.00 0.83 O ATOM 34 CB SER A 3 -7.435 3.894 15.793 1.00 0.97 C ATOM 35 OG SER A 3 -8.652 3.241 16.122 1.00 1.18 O ATOM 0 H SER A 3 -8.453 2.514 14.202 1.00 0.79 H new ATOM 0 HA SER A 3 -7.975 5.263 14.231 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.594 3.228 15.983 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.300 4.768 16.430 1.00 0.97 H new ATOM 0 HG SER A 3 -8.635 2.974 17.065 1.00 1.18 H new ATOM 41 N PRO A 4 -5.081 5.241 14.463 1.00 0.67 N ATOM 42 CA PRO A 4 -3.686 5.409 14.013 1.00 0.62 C ATOM 43 C PRO A 4 -3.067 4.289 13.131 1.00 0.46 C ATOM 44 O PRO A 4 -2.008 4.511 12.582 1.00 0.50 O ATOM 45 CB PRO A 4 -2.949 5.516 15.335 1.00 0.79 C ATOM 46 CG PRO A 4 -3.867 6.337 16.166 1.00 0.96 C ATOM 47 CD PRO A 4 -5.265 5.929 15.767 1.00 0.87 C ATOM 0 HA PRO A 4 -3.617 6.260 13.335 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.772 4.536 15.778 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -1.976 5.993 15.217 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.697 6.159 17.228 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.706 7.401 15.991 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.714 5.267 16.507 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -5.922 6.794 15.673 1.00 0.87 H new ATOM 55 N LEU A 5 -3.683 3.099 13.009 1.00 0.36 N ATOM 56 CA LEU A 5 -3.124 2.023 12.173 1.00 0.32 C ATOM 57 C LEU A 5 -3.013 2.424 10.710 1.00 0.30 C ATOM 58 O LEU A 5 -1.954 2.268 10.113 1.00 0.32 O ATOM 59 CB LEU A 5 -3.944 0.738 12.272 1.00 0.31 C ATOM 60 CG LEU A 5 -3.583 -0.358 11.250 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.519 -1.709 11.938 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.598 -0.405 10.115 1.00 0.27 C ATOM 0 H LEU A 5 -4.559 2.860 13.474 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.123 1.841 12.564 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.826 0.328 13.275 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.998 0.990 12.152 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.607 -0.119 10.828 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.263 -2.477 11.208 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.760 -1.684 12.719 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.488 -1.938 12.381 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.318 -1.187 9.409 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.587 -0.619 10.520 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.616 0.557 9.603 1.00 0.27 H new ATOM 74 N GLU A 6 -4.093 2.922 10.115 1.00 0.34 N ATOM 75 CA GLU A 6 -4.022 3.324 8.718 1.00 0.42 C ATOM 76 C GLU A 6 -3.046 4.489 8.578 1.00 0.33 C ATOM 77 O GLU A 6 -2.290 4.616 7.610 1.00 0.31 O ATOM 78 CB GLU A 6 -5.383 3.705 8.158 1.00 0.62 C ATOM 79 CG GLU A 6 -6.297 2.519 7.893 1.00 1.80 C ATOM 80 CD GLU A 6 -5.785 1.580 6.822 1.00 2.84 C ATOM 81 OE1 GLU A 6 -5.002 0.668 7.158 1.00 3.61 O ATOM 82 OE2 GLU A 6 -6.180 1.743 5.650 1.00 3.32 O ATOM 0 H GLU A 6 -5.000 3.053 10.563 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.669 2.470 8.140 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.876 4.381 8.857 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.241 4.256 7.228 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.430 1.960 8.820 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -7.280 2.888 7.600 1.00 1.80 H new ATOM 89 N LYS A 7 -3.045 5.323 9.595 1.00 0.35 N ATOM 90 CA LYS A 7 -2.108 6.420 9.680 1.00 0.36 C ATOM 91 C LYS A 7 -0.708 5.890 9.990 1.00 0.32 C ATOM 92 O LYS A 7 0.284 6.590 9.835 1.00 0.35 O ATOM 93 CB LYS A 7 -2.586 7.450 10.705 1.00 0.44 C ATOM 94 CG LYS A 7 -3.960 8.036 10.368 1.00 0.63 C ATOM 95 CD LYS A 7 -3.895 9.203 9.374 1.00 0.79 C ATOM 96 CE LYS A 7 -3.236 8.837 8.048 1.00 1.78 C ATOM 97 NZ LYS A 7 -3.183 9.990 7.103 1.00 2.82 N ATOM 0 H LYS A 7 -3.691 5.260 10.382 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.055 6.931 8.719 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.628 6.983 11.689 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.857 8.258 10.767 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.591 7.250 9.954 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.437 8.377 11.287 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -4.906 9.562 9.181 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.345 10.027 9.829 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -2.224 8.477 8.235 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -3.786 8.017 7.586 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -2.263 10.000 6.619 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -3.944 9.898 6.400 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -3.306 10.878 7.631 1.00 2.82 H new ATOM 111 N ALA A 8 -0.645 4.656 10.468 1.00 0.29 N ATOM 112 CA ALA A 8 0.618 3.985 10.722 1.00 0.29 C ATOM 113 C ALA A 8 1.198 3.431 9.432 1.00 0.27 C ATOM 114 O ALA A 8 2.403 3.240 9.333 1.00 0.28 O ATOM 115 CB ALA A 8 0.469 2.882 11.754 1.00 0.32 C ATOM 0 H ALA A 8 -1.467 4.094 10.690 1.00 0.29 H new ATOM 0 HA ALA A 8 1.307 4.726 11.127 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.435 2.404 11.917 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.112 3.307 12.692 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.246 2.142 11.395 1.00 0.32 H new ATOM 121 N LEU A 9 0.347 3.152 8.441 1.00 0.26 N ATOM 122 CA LEU A 9 0.867 2.903 7.095 1.00 0.26 C ATOM 123 C LEU A 9 1.528 4.187 6.613 1.00 0.26 C ATOM 124 O LEU A 9 2.523 4.180 5.897 1.00 0.26 O ATOM 125 CB LEU A 9 -0.208 2.493 6.080 1.00 0.26 C ATOM 126 CG LEU A 9 -1.525 1.981 6.646 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.519 1.763 5.522 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.343 0.701 7.443 1.00 0.27 C ATOM 0 H LEU A 9 -0.667 3.094 8.537 1.00 0.26 H new ATOM 0 HA LEU A 9 1.563 2.067 7.161 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.422 3.353 5.446 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.210 1.718 5.437 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.908 2.738 7.331 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.459 1.397 5.934 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.693 2.705 5.002 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.120 1.030 4.821 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.308 0.372 7.828 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.926 -0.073 6.798 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.664 0.884 8.275 1.00 0.27 H new ATOM 140 N ASP A 10 0.953 5.303 7.026 1.00 0.27 N ATOM 141 CA ASP A 10 1.577 6.608 6.785 1.00 0.29 C ATOM 142 C ASP A 10 2.902 6.692 7.558 1.00 0.27 C ATOM 143 O ASP A 10 3.898 7.263 7.092 1.00 0.28 O ATOM 144 CB ASP A 10 0.633 7.738 7.206 1.00 0.33 C ATOM 145 CG ASP A 10 1.139 9.114 6.823 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.922 9.703 7.595 1.00 1.16 O ATOM 147 OD2 ASP A 10 0.728 9.628 5.766 1.00 1.18 O ATOM 0 H ASP A 10 0.064 5.341 7.525 1.00 0.27 H new ATOM 0 HA ASP A 10 1.780 6.718 5.720 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.343 7.577 6.748 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.489 7.699 8.286 1.00 0.33 H new ATOM 152 N VAL A 11 2.916 6.086 8.741 1.00 0.27 N ATOM 153 CA VAL A 11 4.132 5.970 9.526 1.00 0.27 C ATOM 154 C VAL A 11 5.127 5.045 8.822 1.00 0.27 C ATOM 155 O VAL A 11 6.323 5.128 9.052 1.00 0.29 O ATOM 156 CB VAL A 11 3.833 5.456 10.954 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.113 5.193 11.727 1.00 0.31 C ATOM 158 CG2 VAL A 11 2.967 6.452 11.705 1.00 0.31 C ATOM 0 H VAL A 11 2.093 5.667 9.175 1.00 0.27 H new ATOM 0 HA VAL A 11 4.573 6.963 9.616 1.00 0.27 H new ATOM 0 HB VAL A 11 3.294 4.513 10.861 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.867 4.833 12.726 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.705 4.441 11.206 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.687 6.116 11.805 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.766 6.075 12.708 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.487 7.407 11.774 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.025 6.589 11.173 1.00 0.31 H new ATOM 168 N MET A 12 4.622 4.174 7.955 1.00 0.26 N ATOM 169 CA MET A 12 5.477 3.352 7.103 1.00 0.29 C ATOM 170 C MET A 12 6.245 4.232 6.118 1.00 0.29 C ATOM 171 O MET A 12 7.401 3.957 5.793 1.00 0.34 O ATOM 172 CB MET A 12 4.655 2.284 6.365 1.00 0.32 C ATOM 173 CG MET A 12 5.096 2.039 4.929 1.00 0.98 C ATOM 174 SD MET A 12 4.368 3.212 3.756 1.00 2.23 S ATOM 175 CE MET A 12 5.332 2.893 2.284 1.00 2.75 C ATOM 0 H MET A 12 3.623 4.018 7.823 1.00 0.26 H new ATOM 0 HA MET A 12 6.198 2.834 7.735 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.719 1.347 6.918 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.607 2.584 6.365 1.00 0.32 H new ATOM 0 HG2 MET A 12 6.183 2.104 4.872 1.00 0.98 H new ATOM 0 HG3 MET A 12 4.821 1.025 4.638 1.00 0.98 H new ATOM 0 HE1 MET A 12 4.684 2.936 1.408 1.00 2.75 H new ATOM 0 HE2 MET A 12 6.116 3.644 2.193 1.00 2.75 H new ATOM 0 HE3 MET A 12 5.784 1.903 2.352 1.00 2.75 H new ATOM 185 N VAL A 13 5.601 5.293 5.642 1.00 0.29 N ATOM 186 CA VAL A 13 6.297 6.295 4.842 1.00 0.31 C ATOM 187 C VAL A 13 7.475 6.847 5.648 1.00 0.27 C ATOM 188 O VAL A 13 8.568 7.086 5.118 1.00 0.27 O ATOM 189 CB VAL A 13 5.358 7.450 4.412 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.110 8.498 3.606 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.181 6.915 3.606 1.00 0.42 C ATOM 0 H VAL A 13 4.610 5.480 5.794 1.00 0.29 H new ATOM 0 HA VAL A 13 6.655 5.816 3.931 1.00 0.31 H new ATOM 0 HB VAL A 13 4.978 7.922 5.318 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.425 9.296 3.318 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.917 8.912 4.211 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.528 8.038 2.711 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.534 7.742 3.314 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.551 6.411 2.713 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.615 6.209 4.213 1.00 0.42 H new ATOM 201 N SER A 14 7.251 7.013 6.947 1.00 0.26 N ATOM 202 CA SER A 14 8.317 7.416 7.857 1.00 0.26 C ATOM 203 C SER A 14 9.344 6.297 8.046 1.00 0.25 C ATOM 204 O SER A 14 10.547 6.563 8.090 1.00 0.26 O ATOM 205 CB SER A 14 7.733 7.847 9.201 1.00 0.31 C ATOM 206 OG SER A 14 6.737 8.838 9.020 1.00 1.18 O ATOM 0 H SER A 14 6.344 6.875 7.392 1.00 0.26 H new ATOM 0 HA SER A 14 8.835 8.266 7.413 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.305 6.984 9.711 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.526 8.234 9.840 1.00 0.31 H new ATOM 0 HG SER A 14 6.374 9.100 9.892 1.00 1.18 H new ATOM 212 N THR A 15 8.860 5.064 8.157 1.00 0.28 N ATOM 213 CA THR A 15 9.708 3.877 8.160 1.00 0.32 C ATOM 214 C THR A 15 10.737 3.976 7.037 1.00 0.28 C ATOM 215 O THR A 15 11.947 3.804 7.246 1.00 0.29 O ATOM 216 CB THR A 15 8.845 2.613 7.954 1.00 0.45 C ATOM 217 OG1 THR A 15 8.044 2.365 9.120 1.00 0.59 O ATOM 218 CG2 THR A 15 9.694 1.394 7.639 1.00 0.93 C ATOM 0 H THR A 15 7.865 4.859 8.248 1.00 0.28 H new ATOM 0 HA THR A 15 10.221 3.811 9.119 1.00 0.32 H new ATOM 0 HB THR A 15 8.195 2.795 7.098 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.500 1.563 8.978 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.048 0.527 7.501 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.262 1.572 6.726 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.382 1.207 8.463 1.00 0.93 H new ATOM 226 N PHE A 16 10.238 4.307 5.854 1.00 0.27 N ATOM 227 CA PHE A 16 11.065 4.386 4.672 1.00 0.27 C ATOM 228 C PHE A 16 12.195 5.392 4.818 1.00 0.29 C ATOM 229 O PHE A 16 13.357 5.009 4.785 1.00 0.37 O ATOM 230 CB PHE A 16 10.226 4.718 3.443 1.00 0.34 C ATOM 231 CG PHE A 16 11.044 4.768 2.188 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.234 3.633 1.428 1.00 1.65 C ATOM 233 CD2 PHE A 16 11.645 5.946 1.784 1.00 1.73 C ATOM 234 CE1 PHE A 16 12.005 3.671 0.288 1.00 2.27 C ATOM 235 CE2 PHE A 16 12.415 5.990 0.644 1.00 2.34 C ATOM 236 CZ PHE A 16 12.596 4.851 -0.102 1.00 2.36 C ATOM 0 H PHE A 16 9.255 4.526 5.694 1.00 0.27 H new ATOM 0 HA PHE A 16 11.517 3.403 4.543 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.440 3.972 3.331 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.734 5.679 3.591 1.00 0.34 H new ATOM 0 HD1 PHE A 16 10.773 2.704 1.730 1.00 1.65 H new ATOM 0 HD2 PHE A 16 11.509 6.843 2.370 1.00 1.73 H new ATOM 0 HE1 PHE A 16 12.146 2.776 -0.300 1.00 2.27 H new ATOM 0 HE2 PHE A 16 12.876 6.917 0.337 1.00 2.34 H new ATOM 0 HZ PHE A 16 13.202 4.881 -0.995 1.00 2.36 H new ATOM 246 N HIS A 17 11.864 6.669 5.003 1.00 0.30 N ATOM 247 CA HIS A 17 12.895 7.712 5.006 1.00 0.40 C ATOM 248 C HIS A 17 13.845 7.546 6.185 1.00 0.36 C ATOM 249 O HIS A 17 14.946 8.096 6.194 1.00 0.42 O ATOM 250 CB HIS A 17 12.285 9.122 4.988 1.00 0.59 C ATOM 251 CG HIS A 17 11.528 9.520 6.220 1.00 0.81 C ATOM 252 ND1 HIS A 17 12.134 9.846 7.416 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.200 9.676 6.423 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.211 10.178 8.297 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.028 10.086 7.722 1.00 2.20 N ATOM 0 H HIS A 17 10.912 7.004 5.150 1.00 0.30 H new ATOM 0 HA HIS A 17 13.470 7.594 4.088 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.087 9.843 4.828 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.614 9.197 4.132 1.00 0.59 H new ATOM 0 HD2 HIS A 17 9.418 9.509 5.697 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.393 10.476 9.319 1.00 2.03 H new ATOM 0 HE2 HIS A 17 9.133 10.286 8.168 1.00 2.20 H new ATOM 264 N LYS A 18 13.413 6.773 7.165 1.00 0.34 N ATOM 265 CA LYS A 18 14.228 6.466 8.321 1.00 0.39 C ATOM 266 C LYS A 18 15.383 5.547 7.925 1.00 0.37 C ATOM 267 O LYS A 18 16.489 5.642 8.464 1.00 0.47 O ATOM 268 CB LYS A 18 13.347 5.823 9.391 1.00 0.43 C ATOM 269 CG LYS A 18 14.080 5.454 10.668 1.00 0.55 C ATOM 270 CD LYS A 18 13.118 5.313 11.840 1.00 0.73 C ATOM 271 CE LYS A 18 12.024 4.296 11.554 1.00 0.80 C ATOM 272 NZ LYS A 18 11.045 4.203 12.670 1.00 1.28 N ATOM 0 H LYS A 18 12.489 6.342 7.180 1.00 0.34 H new ATOM 0 HA LYS A 18 14.662 7.381 8.725 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.536 6.509 9.637 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.890 4.925 8.976 1.00 0.43 H new ATOM 0 HG2 LYS A 18 14.618 4.517 10.523 1.00 0.55 H new ATOM 0 HG3 LYS A 18 14.824 6.217 10.896 1.00 0.55 H new ATOM 0 HD2 LYS A 18 13.671 5.011 12.730 1.00 0.73 H new ATOM 0 HD3 LYS A 18 12.666 6.281 12.058 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.503 4.572 10.637 1.00 0.80 H new ATOM 0 HE3 LYS A 18 12.474 3.318 11.384 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 10.316 3.499 12.435 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 11.537 3.915 13.540 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 10.596 5.130 12.816 1.00 1.28 H new ATOM 286 N TYR A 19 15.117 4.661 6.974 1.00 0.29 N ATOM 287 CA TYR A 19 16.141 3.763 6.450 1.00 0.29 C ATOM 288 C TYR A 19 16.825 4.325 5.213 1.00 0.33 C ATOM 289 O TYR A 19 18.028 4.183 5.078 1.00 0.44 O ATOM 290 CB TYR A 19 15.548 2.399 6.143 1.00 0.31 C ATOM 291 CG TYR A 19 15.308 1.571 7.383 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.312 1.901 8.291 1.00 1.28 C ATOM 293 CD2 TYR A 19 16.098 0.466 7.655 1.00 1.23 C ATOM 294 CE1 TYR A 19 14.114 1.150 9.430 1.00 1.35 C ATOM 295 CE2 TYR A 19 15.908 -0.288 8.789 1.00 1.26 C ATOM 296 CZ TYR A 19 14.917 0.055 9.674 1.00 0.62 C ATOM 297 OH TYR A 19 14.719 -0.705 10.800 1.00 0.79 O ATOM 0 H TYR A 19 14.198 4.544 6.548 1.00 0.29 H new ATOM 0 HA TYR A 19 16.900 3.661 7.225 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.606 2.529 5.611 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.219 1.858 5.475 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.683 2.758 8.103 1.00 1.28 H new ATOM 0 HD2 TYR A 19 16.879 0.191 6.962 1.00 1.23 H new ATOM 0 HE1 TYR A 19 13.334 1.417 10.128 1.00 1.35 H new ATOM 0 HE2 TYR A 19 16.535 -1.146 8.982 1.00 1.26 H new ATOM 0 HH TYR A 19 14.100 -1.437 10.596 1.00 0.79 H new ATOM 307 N SER A 20 16.074 4.961 4.321 1.00 0.29 N ATOM 308 CA SER A 20 16.645 5.470 3.075 1.00 0.32 C ATOM 309 C SER A 20 17.547 6.662 3.332 1.00 0.40 C ATOM 310 O SER A 20 18.356 7.041 2.493 1.00 0.60 O ATOM 311 CB SER A 20 15.542 5.862 2.099 1.00 0.35 C ATOM 312 OG SER A 20 14.644 6.789 2.686 1.00 0.86 O ATOM 0 H SER A 20 15.076 5.137 4.434 1.00 0.29 H new ATOM 0 HA SER A 20 17.243 4.671 2.637 1.00 0.32 H new ATOM 0 HB2 SER A 20 15.984 6.297 1.203 1.00 0.35 H new ATOM 0 HB3 SER A 20 14.997 4.972 1.786 1.00 0.35 H new ATOM 0 HG SER A 20 13.748 6.660 2.310 1.00 0.86 H new ATOM 318 N GLY A 21 17.394 7.264 4.495 1.00 0.37 N ATOM 319 CA GLY A 21 18.248 8.361 4.858 1.00 0.43 C ATOM 320 C GLY A 21 19.396 7.910 5.725 1.00 0.41 C ATOM 321 O GLY A 21 19.845 8.655 6.597 1.00 0.46 O ATOM 0 H GLY A 21 16.694 7.011 5.192 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.637 8.834 3.956 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.666 9.115 5.388 1.00 0.43 H new ATOM 325 N LYS A 22 19.868 6.683 5.511 1.00 0.40 N ATOM 326 CA LYS A 22 20.922 6.146 6.352 1.00 0.46 C ATOM 327 C LYS A 22 22.241 5.972 5.584 1.00 0.52 C ATOM 328 O LYS A 22 23.320 6.201 6.136 1.00 0.65 O ATOM 329 CB LYS A 22 20.480 4.834 6.986 1.00 0.47 C ATOM 330 CG LYS A 22 20.885 3.651 6.180 1.00 0.60 C ATOM 331 CD LYS A 22 20.549 2.351 6.877 1.00 0.56 C ATOM 332 CE LYS A 22 19.269 1.754 6.349 1.00 0.49 C ATOM 333 NZ LYS A 22 19.055 0.395 6.889 1.00 1.08 N ATOM 0 H LYS A 22 19.541 6.056 4.775 1.00 0.40 H new ATOM 0 HA LYS A 22 21.111 6.870 7.145 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.908 4.754 7.985 1.00 0.47 H new ATOM 0 HB3 LYS A 22 19.396 4.837 7.103 1.00 0.47 H new ATOM 0 HG2 LYS A 22 20.385 3.683 5.212 1.00 0.60 H new ATOM 0 HG3 LYS A 22 21.957 3.693 5.987 1.00 0.60 H new ATOM 0 HD2 LYS A 22 21.366 1.642 6.740 1.00 0.56 H new ATOM 0 HD3 LYS A 22 20.455 2.526 7.949 1.00 0.56 H new ATOM 0 HE2 LYS A 22 18.428 2.393 6.618 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.304 1.715 5.260 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 18.616 -0.203 6.160 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 19.969 -0.015 7.169 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 18.430 0.446 7.718 1.00 1.08 H new ATOM 347 N GLU A 23 22.162 5.576 4.319 1.00 0.47 N ATOM 348 CA GLU A 23 23.354 5.323 3.524 1.00 0.55 C ATOM 349 C GLU A 23 23.114 5.705 2.066 1.00 0.58 C ATOM 350 O GLU A 23 22.134 5.288 1.466 1.00 0.64 O ATOM 351 CB GLU A 23 23.716 3.835 3.613 1.00 0.67 C ATOM 352 CG GLU A 23 25.205 3.552 3.735 1.00 1.15 C ATOM 353 CD GLU A 23 26.007 4.041 2.551 1.00 1.59 C ATOM 354 OE1 GLU A 23 26.181 3.271 1.586 1.00 2.38 O ATOM 355 OE2 GLU A 23 26.486 5.192 2.587 1.00 1.96 O ATOM 0 H GLU A 23 21.284 5.424 3.823 1.00 0.47 H new ATOM 0 HA GLU A 23 24.174 5.927 3.912 1.00 0.55 H new ATOM 0 HB2 GLU A 23 23.205 3.401 4.473 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.335 3.328 2.727 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.584 4.024 4.641 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.355 2.478 3.848 1.00 1.15 H new ATOM 362 N GLY A 24 24.013 6.495 1.502 1.00 0.72 N ATOM 363 CA GLY A 24 23.928 6.815 0.090 1.00 0.85 C ATOM 364 C GLY A 24 22.894 7.879 -0.223 1.00 0.79 C ATOM 365 O GLY A 24 23.212 9.070 -0.247 1.00 0.92 O ATOM 0 H GLY A 24 24.799 6.920 1.993 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.904 7.153 -0.258 1.00 0.85 H new ATOM 0 HA3 GLY A 24 23.687 5.909 -0.467 1.00 0.85 H new ATOM 369 N ASP A 25 21.658 7.457 -0.456 1.00 0.71 N ATOM 370 CA ASP A 25 20.602 8.371 -0.873 1.00 0.70 C ATOM 371 C ASP A 25 19.786 8.817 0.337 1.00 0.73 C ATOM 372 O ASP A 25 20.287 8.823 1.458 1.00 1.34 O ATOM 373 CB ASP A 25 19.703 7.692 -1.917 1.00 0.73 C ATOM 374 CG ASP A 25 18.994 8.696 -2.800 1.00 1.04 C ATOM 375 OD1 ASP A 25 19.585 9.129 -3.813 1.00 1.75 O ATOM 376 OD2 ASP A 25 17.847 9.071 -2.482 1.00 1.65 O ATOM 0 H ASP A 25 21.361 6.485 -0.363 1.00 0.71 H new ATOM 0 HA ASP A 25 21.052 9.254 -1.327 1.00 0.70 H new ATOM 0 HB2 ASP A 25 20.306 7.028 -2.536 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.964 7.071 -1.410 1.00 0.73 H new ATOM 381 N LYS A 26 18.552 9.238 0.101 1.00 0.61 N ATOM 382 CA LYS A 26 17.655 9.647 1.162 1.00 0.56 C ATOM 383 C LYS A 26 16.212 9.321 0.782 1.00 0.49 C ATOM 384 O LYS A 26 15.329 9.209 1.638 1.00 0.55 O ATOM 385 CB LYS A 26 17.821 11.148 1.417 1.00 0.71 C ATOM 386 CG LYS A 26 16.719 11.756 2.261 1.00 1.03 C ATOM 387 CD LYS A 26 16.697 11.187 3.672 1.00 0.70 C ATOM 388 CE LYS A 26 15.610 11.835 4.516 1.00 0.94 C ATOM 389 NZ LYS A 26 15.866 13.283 4.736 1.00 1.56 N ATOM 0 H LYS A 26 18.148 9.304 -0.833 1.00 0.61 H new ATOM 0 HA LYS A 26 17.898 9.104 2.075 1.00 0.56 H new ATOM 0 HB2 LYS A 26 18.778 11.319 1.910 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.859 11.667 0.459 1.00 0.71 H new ATOM 0 HG2 LYS A 26 16.854 12.837 2.309 1.00 1.03 H new ATOM 0 HG3 LYS A 26 15.756 11.576 1.783 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.533 10.110 3.629 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.667 11.343 4.144 1.00 0.70 H new ATOM 0 HE2 LYS A 26 14.645 11.708 4.025 1.00 0.94 H new ATOM 0 HE3 LYS A 26 15.547 11.327 5.479 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.249 13.633 5.496 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 16.861 13.423 5.005 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 15.668 13.808 3.860 1.00 1.56 H new ATOM 403 N PHE A 27 15.985 9.137 -0.505 1.00 0.45 N ATOM 404 CA PHE A 27 14.646 8.938 -1.026 1.00 0.44 C ATOM 405 C PHE A 27 14.538 7.558 -1.647 1.00 0.40 C ATOM 406 O PHE A 27 13.525 7.215 -2.258 1.00 0.40 O ATOM 407 CB PHE A 27 14.318 10.001 -2.078 1.00 0.50 C ATOM 408 CG PHE A 27 14.559 11.415 -1.627 1.00 0.78 C ATOM 409 CD1 PHE A 27 15.794 12.015 -1.819 1.00 1.76 C ATOM 410 CD2 PHE A 27 13.551 12.147 -1.021 1.00 1.28 C ATOM 411 CE1 PHE A 27 16.020 13.315 -1.414 1.00 2.09 C ATOM 412 CE2 PHE A 27 13.772 13.448 -0.612 1.00 1.59 C ATOM 413 CZ PHE A 27 15.008 14.033 -0.809 1.00 1.65 C ATOM 0 H PHE A 27 16.718 9.121 -1.214 1.00 0.45 H new ATOM 0 HA PHE A 27 13.935 9.025 -0.204 1.00 0.44 H new ATOM 0 HB2 PHE A 27 14.916 9.810 -2.969 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.272 9.898 -2.368 1.00 0.50 H new ATOM 0 HD1 PHE A 27 16.590 11.458 -2.292 1.00 1.76 H new ATOM 0 HD2 PHE A 27 12.582 11.696 -0.867 1.00 1.28 H new ATOM 0 HE1 PHE A 27 16.987 13.770 -1.570 1.00 2.09 H new ATOM 0 HE2 PHE A 27 12.979 14.008 -0.138 1.00 1.59 H new ATOM 0 HZ PHE A 27 15.182 15.050 -0.490 1.00 1.65 H new ATOM 423 N LYS A 28 15.590 6.773 -1.476 1.00 0.39 N ATOM 424 CA LYS A 28 15.682 5.455 -2.076 1.00 0.36 C ATOM 425 C LYS A 28 16.446 4.533 -1.158 1.00 0.34 C ATOM 426 O LYS A 28 17.363 4.968 -0.476 1.00 0.38 O ATOM 427 CB LYS A 28 16.414 5.500 -3.412 1.00 0.40 C ATOM 428 CG LYS A 28 15.816 6.426 -4.447 1.00 0.49 C ATOM 429 CD LYS A 28 16.466 6.186 -5.793 1.00 0.56 C ATOM 430 CE LYS A 28 15.945 7.133 -6.856 1.00 0.86 C ATOM 431 NZ LYS A 28 16.386 6.728 -8.216 1.00 1.70 N ATOM 0 H LYS A 28 16.403 7.033 -0.917 1.00 0.39 H new ATOM 0 HA LYS A 28 14.666 5.095 -2.236 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.446 5.802 -3.232 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.444 4.492 -3.825 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.741 6.260 -4.518 1.00 0.49 H new ATOM 0 HG3 LYS A 28 15.959 7.463 -4.145 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.545 6.305 -5.700 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.284 5.157 -6.104 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.856 7.158 -6.819 1.00 0.86 H new ATOM 0 HE3 LYS A 28 16.295 8.144 -6.646 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 16.363 7.553 -8.848 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 17.355 6.354 -8.170 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 15.748 5.993 -8.583 1.00 1.70 H new ATOM 445 N LEU A 29 16.077 3.266 -1.155 1.00 0.31 N ATOM 446 CA LEU A 29 16.778 2.279 -0.397 1.00 0.28 C ATOM 447 C LEU A 29 17.700 1.519 -1.312 1.00 0.31 C ATOM 448 O LEU A 29 17.252 0.710 -2.129 1.00 0.33 O ATOM 449 CB LEU A 29 15.785 1.311 0.227 1.00 0.26 C ATOM 450 CG LEU A 29 14.814 1.923 1.217 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.621 1.011 1.379 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.497 2.150 2.553 1.00 0.25 C ATOM 0 H LEU A 29 15.282 2.905 -1.682 1.00 0.31 H new ATOM 0 HA LEU A 29 17.352 2.766 0.391 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.213 0.838 -0.572 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.342 0.521 0.731 1.00 0.26 H new ATOM 0 HG LEU A 29 14.476 2.888 0.841 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.922 1.450 2.091 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.127 0.884 0.416 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.953 0.040 1.747 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.788 2.590 3.254 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.853 1.198 2.946 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.342 2.826 2.420 1.00 0.25 H new ATOM 464 N ASN A 30 18.977 1.773 -1.178 1.00 0.32 N ATOM 465 CA ASN A 30 19.973 0.981 -1.860 1.00 0.36 C ATOM 466 C ASN A 30 19.982 -0.382 -1.216 1.00 0.33 C ATOM 467 O ASN A 30 19.359 -0.562 -0.172 1.00 0.30 O ATOM 468 CB ASN A 30 21.340 1.664 -1.797 1.00 0.42 C ATOM 469 CG ASN A 30 21.635 2.240 -0.430 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.328 1.622 0.383 1.00 0.56 O ATOM 471 ND2 ASN A 30 21.068 3.407 -0.152 1.00 0.43 N ATOM 0 H ASN A 30 19.354 2.525 -0.601 1.00 0.32 H new ATOM 0 HA ASN A 30 19.737 0.879 -2.919 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.115 0.944 -2.060 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.380 2.461 -2.540 1.00 0.42 H new ATOM 0 HD21 ASN A 30 21.197 3.831 0.767 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.503 3.881 -0.857 1.00 0.43 H new ATOM 478 N LYS A 31 20.645 -1.347 -1.822 1.00 0.35 N ATOM 479 CA LYS A 31 20.518 -2.718 -1.358 1.00 0.34 C ATOM 480 C LYS A 31 20.837 -2.839 0.126 1.00 0.31 C ATOM 481 O LYS A 31 20.184 -3.588 0.845 1.00 0.31 O ATOM 482 CB LYS A 31 21.416 -3.661 -2.127 1.00 0.41 C ATOM 483 CG LYS A 31 21.092 -3.794 -3.599 1.00 0.68 C ATOM 484 CD LYS A 31 21.824 -4.987 -4.166 1.00 0.71 C ATOM 485 CE LYS A 31 21.087 -6.290 -3.909 1.00 1.15 C ATOM 486 NZ LYS A 31 21.841 -7.451 -4.452 1.00 1.99 N ATOM 0 H LYS A 31 21.265 -1.215 -2.621 1.00 0.35 H new ATOM 0 HA LYS A 31 19.479 -2.999 -1.529 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.447 -3.320 -2.026 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.360 -4.648 -1.667 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.017 -3.913 -3.737 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.383 -2.888 -4.130 1.00 0.68 H new ATOM 0 HD2 LYS A 31 21.957 -4.853 -5.240 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.820 -5.042 -3.726 1.00 0.71 H new ATOM 0 HE2 LYS A 31 20.936 -6.420 -2.837 1.00 1.15 H new ATOM 0 HE3 LYS A 31 20.099 -6.248 -4.367 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 21.314 -8.327 -4.262 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 21.963 -7.336 -5.478 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 22.774 -7.503 -3.996 1.00 1.99 H new ATOM 500 N SER A 32 21.831 -2.092 0.578 1.00 0.34 N ATOM 501 CA SER A 32 22.198 -2.093 1.982 1.00 0.37 C ATOM 502 C SER A 32 21.015 -1.636 2.834 1.00 0.34 C ATOM 503 O SER A 32 20.660 -2.271 3.834 1.00 0.38 O ATOM 504 CB SER A 32 23.402 -1.176 2.197 1.00 0.45 C ATOM 505 OG SER A 32 24.482 -1.559 1.360 1.00 1.33 O ATOM 0 H SER A 32 22.397 -1.478 -0.008 1.00 0.34 H new ATOM 0 HA SER A 32 22.467 -3.105 2.285 1.00 0.37 H new ATOM 0 HB2 SER A 32 23.121 -0.144 1.987 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.713 -1.215 3.241 1.00 0.45 H new ATOM 0 HG SER A 32 25.242 -0.959 1.511 1.00 1.33 H new ATOM 511 N GLU A 33 20.382 -0.555 2.402 1.00 0.32 N ATOM 512 CA GLU A 33 19.262 0.006 3.122 1.00 0.35 C ATOM 513 C GLU A 33 18.024 -0.873 3.017 1.00 0.30 C ATOM 514 O GLU A 33 17.403 -1.168 4.043 1.00 0.32 O ATOM 515 CB GLU A 33 18.951 1.407 2.620 1.00 0.45 C ATOM 516 CG GLU A 33 20.078 2.393 2.837 1.00 0.59 C ATOM 517 CD GLU A 33 19.648 3.803 2.525 1.00 1.50 C ATOM 518 OE1 GLU A 33 18.957 3.988 1.514 1.00 2.32 O ATOM 519 OE2 GLU A 33 19.991 4.716 3.300 1.00 2.15 O ATOM 0 H GLU A 33 20.631 -0.051 1.551 1.00 0.32 H new ATOM 0 HA GLU A 33 19.546 0.058 4.173 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.721 1.360 1.556 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.057 1.774 3.123 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.418 2.336 3.871 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.925 2.122 2.207 1.00 0.59 H new ATOM 526 N LEU A 34 17.651 -1.303 1.802 1.00 0.30 N ATOM 527 CA LEU A 34 16.441 -2.104 1.669 1.00 0.33 C ATOM 528 C LEU A 34 16.614 -3.489 2.291 1.00 0.29 C ATOM 529 O LEU A 34 15.638 -4.087 2.708 1.00 0.30 O ATOM 530 CB LEU A 34 15.843 -2.176 0.234 1.00 0.50 C ATOM 531 CG LEU A 34 16.743 -2.591 -0.932 1.00 0.51 C ATOM 532 CD1 LEU A 34 17.462 -3.852 -0.589 1.00 1.01 C ATOM 533 CD2 LEU A 34 15.921 -2.812 -2.199 1.00 0.55 C ATOM 0 H LEU A 34 18.152 -1.116 0.933 1.00 0.30 H new ATOM 0 HA LEU A 34 15.688 -1.561 2.240 1.00 0.33 H new ATOM 0 HB2 LEU A 34 15.004 -2.871 0.263 1.00 0.50 H new ATOM 0 HB3 LEU A 34 15.435 -1.193 -0.001 1.00 0.50 H new ATOM 0 HG LEU A 34 17.461 -1.791 -1.112 1.00 0.51 H new ATOM 0 HD11 LEU A 34 18.102 -4.144 -1.422 1.00 1.01 H new ATOM 0 HD12 LEU A 34 18.073 -3.692 0.299 1.00 1.01 H new ATOM 0 HD13 LEU A 34 16.737 -4.642 -0.394 1.00 1.01 H new ATOM 0 HD21 LEU A 34 16.582 -3.106 -3.015 1.00 0.55 H new ATOM 0 HD22 LEU A 34 15.188 -3.599 -2.024 1.00 0.55 H new ATOM 0 HD23 LEU A 34 15.406 -1.889 -2.464 1.00 0.55 H new ATOM 545 N LYS A 35 17.848 -4.008 2.355 1.00 0.29 N ATOM 546 CA LYS A 35 18.094 -5.228 3.119 1.00 0.29 C ATOM 547 C LYS A 35 17.653 -5.063 4.564 1.00 0.29 C ATOM 548 O LYS A 35 16.782 -5.786 5.045 1.00 0.31 O ATOM 549 CB LYS A 35 19.567 -5.608 3.115 1.00 0.32 C ATOM 550 CG LYS A 35 19.998 -6.458 1.936 1.00 0.39 C ATOM 551 CD LYS A 35 21.458 -6.853 2.054 1.00 0.52 C ATOM 552 CE LYS A 35 21.778 -8.071 1.203 1.00 0.70 C ATOM 553 NZ LYS A 35 23.198 -8.492 1.347 1.00 1.29 N ATOM 0 H LYS A 35 18.669 -3.611 1.898 1.00 0.29 H new ATOM 0 HA LYS A 35 17.516 -6.016 2.637 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.164 -4.696 3.125 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.792 -6.147 4.036 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.379 -7.353 1.883 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.841 -5.907 1.009 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.088 -6.018 1.747 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.695 -7.064 3.097 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.124 -8.895 1.489 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.570 -7.847 0.157 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 23.375 -9.325 0.751 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 23.822 -7.715 1.050 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.390 -8.730 2.341 1.00 1.29 H new ATOM 567 N GLU A 36 18.254 -4.099 5.250 1.00 0.29 N ATOM 568 CA GLU A 36 17.969 -3.887 6.663 1.00 0.32 C ATOM 569 C GLU A 36 16.523 -3.527 6.872 1.00 0.31 C ATOM 570 O GLU A 36 15.883 -4.029 7.784 1.00 0.39 O ATOM 571 CB GLU A 36 18.850 -2.796 7.231 1.00 0.36 C ATOM 572 CG GLU A 36 20.311 -3.033 6.960 1.00 0.37 C ATOM 573 CD GLU A 36 21.192 -1.965 7.566 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.376 -0.912 6.920 1.00 1.31 O ATOM 575 OE2 GLU A 36 21.681 -2.159 8.698 1.00 1.14 O ATOM 0 H GLU A 36 18.938 -3.455 4.853 1.00 0.29 H new ATOM 0 HA GLU A 36 18.179 -4.821 7.185 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.556 -1.837 6.804 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.690 -2.728 8.307 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.598 -4.006 7.359 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.477 -3.068 5.883 1.00 0.37 H new ATOM 582 N LEU A 37 16.015 -2.649 6.036 1.00 0.27 N ATOM 583 CA LEU A 37 14.619 -2.296 6.099 1.00 0.26 C ATOM 584 C LEU A 37 13.750 -3.539 5.920 1.00 0.27 C ATOM 585 O LEU A 37 12.933 -3.837 6.763 1.00 0.31 O ATOM 586 CB LEU A 37 14.298 -1.233 5.049 1.00 0.24 C ATOM 587 CG LEU A 37 12.878 -0.679 5.104 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.841 0.758 4.629 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.947 -1.538 4.271 1.00 0.50 C ATOM 0 H LEU A 37 16.546 -2.170 5.309 1.00 0.27 H new ATOM 0 HA LEU A 37 14.400 -1.876 7.080 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.999 -0.406 5.165 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.468 -1.658 4.060 1.00 0.24 H new ATOM 0 HG LEU A 37 12.541 -0.701 6.140 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.818 1.131 4.677 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.480 1.369 5.267 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.198 0.811 3.600 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.937 -1.132 4.319 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.287 -1.544 3.235 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.947 -2.557 4.659 1.00 0.50 H new ATOM 601 N LEU A 38 13.947 -4.284 4.848 1.00 0.27 N ATOM 602 CA LEU A 38 13.118 -5.458 4.597 1.00 0.29 C ATOM 603 C LEU A 38 13.189 -6.461 5.744 1.00 0.31 C ATOM 604 O LEU A 38 12.167 -6.938 6.222 1.00 0.40 O ATOM 605 CB LEU A 38 13.522 -6.126 3.290 1.00 0.32 C ATOM 606 CG LEU A 38 12.648 -5.780 2.087 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.246 -6.322 2.296 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.611 -4.275 1.853 1.00 0.43 C ATOM 0 H LEU A 38 14.662 -4.105 4.143 1.00 0.27 H new ATOM 0 HA LEU A 38 12.086 -5.116 4.520 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.552 -5.850 3.062 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.506 -7.207 3.432 1.00 0.32 H new ATOM 0 HG LEU A 38 13.079 -6.244 1.200 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.627 -6.072 1.434 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.288 -7.405 2.411 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.815 -5.879 3.193 1.00 0.31 H new ATOM 0 HD21 LEU A 38 11.982 -4.056 0.990 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.204 -3.780 2.734 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.621 -3.911 1.667 1.00 0.43 H new ATOM 620 N THR A 39 14.396 -6.779 6.175 1.00 0.32 N ATOM 621 CA THR A 39 14.599 -7.700 7.289 1.00 0.33 C ATOM 622 C THR A 39 13.962 -7.194 8.594 1.00 0.34 C ATOM 623 O THR A 39 13.415 -7.974 9.372 1.00 0.38 O ATOM 624 CB THR A 39 16.104 -7.944 7.528 1.00 0.33 C ATOM 625 OG1 THR A 39 16.764 -6.708 7.822 1.00 0.32 O ATOM 626 CG2 THR A 39 16.759 -8.567 6.305 1.00 0.35 C ATOM 0 H THR A 39 15.258 -6.413 5.771 1.00 0.32 H new ATOM 0 HA THR A 39 14.108 -8.632 7.010 1.00 0.33 H new ATOM 0 HB THR A 39 16.197 -8.628 8.371 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.181 -5.959 7.577 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.819 -8.728 6.502 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.282 -9.522 6.084 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.646 -7.899 5.451 1.00 0.35 H new ATOM 634 N ARG A 40 14.038 -5.891 8.821 1.00 0.34 N ATOM 635 CA ARG A 40 13.631 -5.291 10.095 1.00 0.37 C ATOM 636 C ARG A 40 12.211 -4.741 10.087 1.00 0.40 C ATOM 637 O ARG A 40 11.563 -4.700 11.133 1.00 0.47 O ATOM 638 CB ARG A 40 14.647 -4.212 10.468 1.00 0.37 C ATOM 639 CG ARG A 40 15.909 -4.798 11.078 1.00 0.63 C ATOM 640 CD ARG A 40 17.044 -3.794 11.117 1.00 0.56 C ATOM 641 NE ARG A 40 18.306 -4.429 11.493 1.00 1.16 N ATOM 642 CZ ARG A 40 19.506 -3.989 11.111 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.616 -2.851 10.439 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.597 -4.675 11.428 1.00 2.31 N ATOM 0 H ARG A 40 14.381 -5.218 8.135 1.00 0.34 H new ATOM 0 HA ARG A 40 13.619 -6.078 10.849 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.908 -3.638 9.579 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.193 -3.517 11.174 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.696 -5.142 12.090 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.218 -5.671 10.503 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.149 -3.323 10.139 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.807 -3.003 11.828 1.00 0.56 H new ATOM 0 HE ARG A 40 18.267 -5.260 12.084 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.782 -2.310 10.213 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.535 -2.517 10.148 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.518 -5.539 11.964 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.514 -4.338 11.136 1.00 2.31 H new ATOM 658 N GLU A 41 11.721 -4.328 8.937 1.00 0.40 N ATOM 659 CA GLU A 41 10.370 -3.812 8.842 1.00 0.46 C ATOM 660 C GLU A 41 9.425 -4.913 8.374 1.00 0.54 C ATOM 661 O GLU A 41 8.265 -4.959 8.760 1.00 0.85 O ATOM 662 CB GLU A 41 10.308 -2.624 7.870 1.00 0.52 C ATOM 663 CG GLU A 41 11.463 -1.626 7.974 1.00 0.53 C ATOM 664 CD GLU A 41 11.750 -1.129 9.375 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.485 -1.803 10.118 1.00 1.02 O ATOM 666 OE2 GLU A 41 11.261 -0.047 9.752 1.00 1.30 O ATOM 0 H GLU A 41 12.236 -4.339 8.056 1.00 0.40 H new ATOM 0 HA GLU A 41 10.063 -3.468 9.829 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.277 -3.012 6.852 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.373 -2.089 8.037 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.365 -2.093 7.578 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.242 -0.769 7.338 1.00 0.53 H new ATOM 673 N LEU A 42 9.933 -5.839 7.578 1.00 0.40 N ATOM 674 CA LEU A 42 9.106 -6.928 7.079 1.00 0.41 C ATOM 675 C LEU A 42 9.721 -8.302 7.361 1.00 0.37 C ATOM 676 O LEU A 42 9.993 -9.069 6.431 1.00 0.36 O ATOM 677 CB LEU A 42 8.863 -6.747 5.581 1.00 0.44 C ATOM 678 CG LEU A 42 7.937 -5.586 5.222 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.049 -5.245 3.751 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.500 -5.932 5.573 1.00 0.74 C ATOM 0 H LEU A 42 10.904 -5.861 7.265 1.00 0.40 H new ATOM 0 HA LEU A 42 8.155 -6.892 7.611 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.822 -6.595 5.086 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.440 -7.669 5.181 1.00 0.44 H new ATOM 0 HG LEU A 42 8.241 -4.714 5.800 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.381 -4.416 3.518 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.076 -4.960 3.521 1.00 0.65 H new ATOM 0 HD13 LEU A 42 7.771 -6.114 3.154 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.850 -5.096 5.312 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.193 -6.818 5.017 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.424 -6.130 6.642 1.00 0.74 H new ATOM 692 N PRO A 43 9.926 -8.642 8.655 1.00 0.40 N ATOM 693 CA PRO A 43 10.450 -9.950 9.071 1.00 0.44 C ATOM 694 C PRO A 43 9.702 -11.113 8.442 1.00 0.45 C ATOM 695 O PRO A 43 10.275 -12.155 8.161 1.00 0.49 O ATOM 696 CB PRO A 43 10.203 -9.966 10.573 1.00 0.51 C ATOM 697 CG PRO A 43 10.251 -8.540 10.978 1.00 0.48 C ATOM 698 CD PRO A 43 9.692 -7.763 9.820 1.00 0.44 C ATOM 0 HA PRO A 43 11.492 -10.068 8.773 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.238 -10.413 10.811 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.962 -10.551 11.093 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.665 -8.371 11.881 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.273 -8.231 11.199 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.631 -7.553 9.955 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.195 -6.803 9.703 1.00 0.44 H new ATOM 706 N SER A 44 8.412 -10.930 8.252 1.00 0.45 N ATOM 707 CA SER A 44 7.569 -11.964 7.689 1.00 0.47 C ATOM 708 C SER A 44 7.816 -12.121 6.192 1.00 0.44 C ATOM 709 O SER A 44 8.088 -13.229 5.711 1.00 0.45 O ATOM 710 CB SER A 44 6.114 -11.617 7.949 1.00 0.51 C ATOM 711 OG SER A 44 5.230 -12.547 7.356 1.00 0.59 O ATOM 0 H SER A 44 7.921 -10.066 8.482 1.00 0.45 H new ATOM 0 HA SER A 44 7.811 -12.914 8.166 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.936 -11.584 9.024 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.905 -10.620 7.560 1.00 0.51 H new ATOM 0 HG SER A 44 5.739 -13.175 6.802 1.00 0.59 H new ATOM 717 N PHE A 45 7.763 -10.993 5.475 1.00 0.42 N ATOM 718 CA PHE A 45 7.817 -11.004 4.014 1.00 0.41 C ATOM 719 C PHE A 45 9.029 -11.778 3.532 1.00 0.42 C ATOM 720 O PHE A 45 8.906 -12.751 2.784 1.00 0.46 O ATOM 721 CB PHE A 45 7.853 -9.585 3.443 1.00 0.45 C ATOM 722 CG PHE A 45 7.732 -9.569 1.945 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.501 -9.757 1.338 1.00 1.83 C ATOM 724 CD2 PHE A 45 8.847 -9.390 1.144 1.00 1.81 C ATOM 725 CE1 PHE A 45 6.385 -9.765 -0.039 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.737 -9.395 -0.233 1.00 2.38 C ATOM 727 CZ PHE A 45 7.504 -9.583 -0.825 1.00 2.41 C ATOM 0 H PHE A 45 7.683 -10.063 5.885 1.00 0.42 H new ATOM 0 HA PHE A 45 6.911 -11.494 3.658 1.00 0.41 H new ATOM 0 HB2 PHE A 45 7.042 -9.001 3.877 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.785 -9.102 3.735 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.621 -9.899 1.948 1.00 1.83 H new ATOM 0 HD2 PHE A 45 9.815 -9.245 1.601 1.00 1.81 H new ATOM 0 HE1 PHE A 45 5.419 -9.914 -0.499 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.615 -9.252 -0.846 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.416 -9.588 -1.901 1.00 2.41 H new ATOM 737 N LEU A 46 10.198 -11.349 3.970 1.00 0.45 N ATOM 738 CA LEU A 46 11.426 -12.019 3.588 1.00 0.57 C ATOM 739 C LEU A 46 11.820 -13.083 4.592 1.00 0.65 C ATOM 740 O LEU A 46 12.794 -13.796 4.389 1.00 0.66 O ATOM 741 CB LEU A 46 12.556 -11.027 3.387 1.00 0.67 C ATOM 742 CG LEU A 46 12.421 -10.148 2.149 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.676 -9.332 1.968 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.141 -10.993 0.908 1.00 0.55 C ATOM 0 H LEU A 46 10.323 -10.546 4.586 1.00 0.45 H new ATOM 0 HA LEU A 46 11.236 -12.515 2.636 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.618 -10.385 4.266 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.496 -11.576 3.325 1.00 0.67 H new ATOM 0 HG LEU A 46 11.576 -9.473 2.287 1.00 0.57 H new ATOM 0 HD11 LEU A 46 13.577 -8.704 1.082 1.00 0.71 H new ATOM 0 HD12 LEU A 46 13.830 -8.702 2.844 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.529 -9.999 1.847 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.049 -10.343 0.038 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.961 -11.693 0.752 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.213 -11.547 1.047 1.00 0.55 H new ATOM 756 N GLY A 47 11.067 -13.200 5.674 1.00 0.74 N ATOM 757 CA GLY A 47 11.277 -14.303 6.589 1.00 0.90 C ATOM 758 C GLY A 47 11.111 -15.615 5.869 1.00 0.89 C ATOM 759 O GLY A 47 11.723 -16.622 6.224 1.00 0.99 O ATOM 0 H GLY A 47 10.319 -12.557 5.935 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.276 -14.241 7.022 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.568 -14.240 7.414 1.00 0.90 H new ATOM 763 N LYS A 48 10.276 -15.587 4.843 1.00 0.79 N ATOM 764 CA LYS A 48 10.139 -16.717 3.943 1.00 0.82 C ATOM 765 C LYS A 48 11.367 -16.885 3.050 1.00 0.78 C ATOM 766 O LYS A 48 11.746 -18.010 2.725 1.00 0.87 O ATOM 767 CB LYS A 48 8.917 -16.545 3.050 1.00 0.82 C ATOM 768 CG LYS A 48 7.626 -17.095 3.627 1.00 1.08 C ATOM 769 CD LYS A 48 7.191 -16.347 4.871 1.00 1.51 C ATOM 770 CE LYS A 48 5.910 -16.929 5.436 1.00 2.27 C ATOM 771 NZ LYS A 48 4.757 -16.750 4.515 1.00 3.17 N ATOM 0 H LYS A 48 9.682 -14.790 4.613 1.00 0.79 H new ATOM 0 HA LYS A 48 10.030 -17.604 4.568 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.783 -15.483 2.842 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.110 -17.035 2.096 1.00 0.82 H new ATOM 0 HG2 LYS A 48 6.839 -17.035 2.875 1.00 1.08 H new ATOM 0 HG3 LYS A 48 7.758 -18.150 3.867 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.979 -16.395 5.623 1.00 1.51 H new ATOM 0 HD3 LYS A 48 7.042 -15.294 4.633 1.00 1.51 H new ATOM 0 HE2 LYS A 48 6.052 -17.991 5.635 1.00 2.27 H new ATOM 0 HE3 LYS A 48 5.687 -16.453 6.391 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 3.877 -17.007 5.006 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 4.707 -15.757 4.211 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 4.879 -17.361 3.683 1.00 3.17 H new ATOM 785 N ARG A 49 12.005 -15.782 2.674 1.00 0.73 N ATOM 786 CA ARG A 49 13.060 -15.836 1.671 1.00 0.81 C ATOM 787 C ARG A 49 14.022 -14.653 1.795 1.00 0.74 C ATOM 788 O ARG A 49 13.851 -13.623 1.149 1.00 1.00 O ATOM 789 CB ARG A 49 12.433 -15.887 0.270 1.00 0.95 C ATOM 790 CG ARG A 49 13.327 -16.514 -0.790 1.00 1.17 C ATOM 791 CD ARG A 49 14.407 -15.558 -1.263 1.00 1.02 C ATOM 792 NE ARG A 49 15.381 -16.218 -2.126 1.00 1.61 N ATOM 793 CZ ARG A 49 15.442 -16.057 -3.449 1.00 1.87 C ATOM 794 NH1 ARG A 49 14.594 -15.242 -4.069 1.00 2.14 N ATOM 795 NH2 ARG A 49 16.356 -16.710 -4.153 1.00 2.50 N ATOM 0 H ARG A 49 11.813 -14.851 3.044 1.00 0.73 H new ATOM 0 HA ARG A 49 13.646 -16.740 1.837 1.00 0.81 H new ATOM 0 HB2 ARG A 49 11.500 -16.449 0.322 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.178 -14.873 -0.039 1.00 0.95 H new ATOM 0 HG2 ARG A 49 13.791 -17.414 -0.386 1.00 1.17 H new ATOM 0 HG3 ARG A 49 12.719 -16.823 -1.640 1.00 1.17 H new ATOM 0 HD2 ARG A 49 13.947 -14.730 -1.802 1.00 1.02 H new ATOM 0 HD3 ARG A 49 14.918 -15.132 -0.399 1.00 1.02 H new ATOM 0 HE ARG A 49 16.059 -16.843 -1.690 1.00 1.61 H new ATOM 0 HH11 ARG A 49 13.890 -14.734 -3.533 1.00 2.14 H new ATOM 0 HH12 ARG A 49 14.647 -15.124 -5.081 1.00 2.14 H new ATOM 0 HH21 ARG A 49 17.011 -17.335 -3.683 1.00 2.50 H new ATOM 0 HH22 ARG A 49 16.404 -16.588 -5.165 1.00 2.50 H new ATOM 809 N THR A 50 15.028 -14.815 2.637 1.00 0.76 N ATOM 810 CA THR A 50 16.088 -13.817 2.776 1.00 0.73 C ATOM 811 C THR A 50 17.379 -14.278 2.105 1.00 0.82 C ATOM 812 O THR A 50 18.162 -15.019 2.697 1.00 1.33 O ATOM 813 CB THR A 50 16.395 -13.507 4.253 1.00 0.74 C ATOM 814 OG1 THR A 50 16.340 -14.714 5.024 1.00 0.84 O ATOM 815 CG2 THR A 50 15.429 -12.481 4.820 1.00 0.63 C ATOM 0 H THR A 50 15.138 -15.630 3.240 1.00 0.76 H new ATOM 0 HA THR A 50 15.719 -12.915 2.287 1.00 0.73 H new ATOM 0 HB THR A 50 17.398 -13.084 4.308 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.894 -15.400 4.597 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.676 -12.287 5.864 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.506 -11.555 4.251 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.411 -12.864 4.753 1.00 0.63 H new ATOM 823 N ASP A 51 17.595 -13.843 0.872 1.00 0.57 N ATOM 824 CA ASP A 51 18.824 -14.163 0.151 1.00 0.62 C ATOM 825 C ASP A 51 19.312 -12.946 -0.614 1.00 0.58 C ATOM 826 O ASP A 51 18.555 -11.993 -0.793 1.00 0.55 O ATOM 827 CB ASP A 51 18.612 -15.320 -0.837 1.00 0.69 C ATOM 828 CG ASP A 51 18.335 -16.647 -0.161 1.00 1.26 C ATOM 829 OD1 ASP A 51 19.214 -17.137 0.580 1.00 1.78 O ATOM 830 OD2 ASP A 51 17.238 -17.210 -0.375 1.00 2.01 O ATOM 0 H ASP A 51 16.936 -13.267 0.348 1.00 0.57 H new ATOM 0 HA ASP A 51 19.567 -14.465 0.889 1.00 0.62 H new ATOM 0 HB2 ASP A 51 17.779 -15.076 -1.497 1.00 0.69 H new ATOM 0 HB3 ASP A 51 19.498 -15.419 -1.465 1.00 0.69 H new ATOM 835 N GLU A 52 20.560 -12.968 -1.074 1.00 0.67 N ATOM 836 CA GLU A 52 21.066 -11.895 -1.930 1.00 0.71 C ATOM 837 C GLU A 52 20.174 -11.757 -3.143 1.00 0.67 C ATOM 838 O GLU A 52 19.770 -10.655 -3.518 1.00 0.63 O ATOM 839 CB GLU A 52 22.491 -12.181 -2.392 1.00 0.87 C ATOM 840 CG GLU A 52 23.507 -12.138 -1.272 1.00 0.95 C ATOM 841 CD GLU A 52 24.909 -12.465 -1.742 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.246 -13.664 -1.837 1.00 1.91 O ATOM 843 OE2 GLU A 52 25.683 -11.526 -2.023 1.00 1.81 O ATOM 0 H GLU A 52 21.234 -13.707 -0.873 1.00 0.67 H new ATOM 0 HA GLU A 52 21.068 -10.971 -1.351 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.522 -13.164 -2.863 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.771 -11.454 -3.154 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.502 -11.146 -0.820 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.215 -12.844 -0.495 1.00 0.95 H new ATOM 850 N ALA A 53 19.862 -12.903 -3.731 1.00 0.71 N ATOM 851 CA ALA A 53 18.969 -12.976 -4.874 1.00 0.76 C ATOM 852 C ALA A 53 17.623 -12.338 -4.555 1.00 0.66 C ATOM 853 O ALA A 53 17.014 -11.699 -5.406 1.00 0.69 O ATOM 854 CB ALA A 53 18.780 -14.426 -5.293 1.00 0.91 C ATOM 0 H ALA A 53 20.222 -13.808 -3.427 1.00 0.71 H new ATOM 0 HA ALA A 53 19.418 -12.422 -5.698 1.00 0.76 H new ATOM 0 HB1 ALA A 53 18.109 -14.472 -6.151 1.00 0.91 H new ATOM 0 HB2 ALA A 53 19.745 -14.855 -5.563 1.00 0.91 H new ATOM 0 HB3 ALA A 53 18.351 -14.991 -4.466 1.00 0.91 H new ATOM 860 N ALA A 54 17.187 -12.495 -3.316 1.00 0.60 N ATOM 861 CA ALA A 54 15.913 -11.952 -2.872 1.00 0.59 C ATOM 862 C ALA A 54 15.928 -10.435 -2.903 1.00 0.48 C ATOM 863 O ALA A 54 15.054 -9.821 -3.493 1.00 0.46 O ATOM 864 CB ALA A 54 15.577 -12.436 -1.473 1.00 0.64 C ATOM 0 H ALA A 54 17.702 -12.999 -2.594 1.00 0.60 H new ATOM 0 HA ALA A 54 15.146 -12.307 -3.560 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.620 -12.017 -1.163 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.514 -13.524 -1.470 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.355 -12.115 -0.780 1.00 0.64 H new ATOM 870 N PHE A 55 16.931 -9.836 -2.274 1.00 0.46 N ATOM 871 CA PHE A 55 17.041 -8.382 -2.238 1.00 0.42 C ATOM 872 C PHE A 55 17.370 -7.833 -3.618 1.00 0.44 C ATOM 873 O PHE A 55 16.937 -6.743 -3.977 1.00 0.45 O ATOM 874 CB PHE A 55 18.109 -7.941 -1.244 1.00 0.44 C ATOM 875 CG PHE A 55 17.836 -8.379 0.168 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.919 -7.704 0.953 1.00 1.98 C ATOM 877 CD2 PHE A 55 18.504 -9.466 0.710 1.00 1.87 C ATOM 878 CE1 PHE A 55 16.673 -8.105 2.253 1.00 2.77 C ATOM 879 CE2 PHE A 55 18.261 -9.872 2.007 1.00 2.70 C ATOM 880 CZ PHE A 55 17.344 -9.190 2.779 1.00 2.95 C ATOM 0 H PHE A 55 17.677 -10.330 -1.784 1.00 0.46 H new ATOM 0 HA PHE A 55 16.078 -7.985 -1.918 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.073 -8.340 -1.559 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.190 -6.854 -1.269 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.390 -6.855 0.546 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.224 -10.002 0.110 1.00 1.87 H new ATOM 0 HE1 PHE A 55 15.956 -7.569 2.857 1.00 2.77 H new ATOM 0 HE2 PHE A 55 18.788 -10.722 2.416 1.00 2.70 H new ATOM 0 HZ PHE A 55 17.151 -9.505 3.794 1.00 2.95 H new ATOM 890 N GLN A 56 18.148 -8.593 -4.377 1.00 0.49 N ATOM 891 CA GLN A 56 18.479 -8.237 -5.750 1.00 0.54 C ATOM 892 C GLN A 56 17.197 -8.141 -6.556 1.00 0.53 C ATOM 893 O GLN A 56 16.857 -7.083 -7.085 1.00 0.57 O ATOM 894 CB GLN A 56 19.409 -9.303 -6.345 1.00 0.62 C ATOM 895 CG GLN A 56 20.126 -8.909 -7.635 1.00 0.76 C ATOM 896 CD GLN A 56 19.206 -8.764 -8.833 1.00 0.98 C ATOM 897 OE1 GLN A 56 18.910 -9.736 -9.525 1.00 1.69 O ATOM 898 NE2 GLN A 56 18.775 -7.543 -9.102 1.00 0.87 N ATOM 0 H GLN A 56 18.565 -9.468 -4.061 1.00 0.49 H new ATOM 0 HA GLN A 56 18.991 -7.275 -5.776 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.159 -9.562 -5.598 1.00 0.62 H new ATOM 0 HB3 GLN A 56 18.825 -10.203 -6.536 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.648 -7.966 -7.475 1.00 0.76 H new ATOM 0 HG3 GLN A 56 20.884 -9.659 -7.861 1.00 0.76 H new ATOM 0 HE21 GLN A 56 19.044 -6.763 -8.502 1.00 0.87 H new ATOM 0 HE22 GLN A 56 18.173 -7.381 -9.910 1.00 0.87 H new ATOM 907 N LYS A 57 16.486 -9.253 -6.626 1.00 0.51 N ATOM 908 CA LYS A 57 15.238 -9.317 -7.360 1.00 0.52 C ATOM 909 C LYS A 57 14.224 -8.324 -6.813 1.00 0.48 C ATOM 910 O LYS A 57 13.575 -7.637 -7.582 1.00 0.48 O ATOM 911 CB LYS A 57 14.667 -10.736 -7.343 1.00 0.55 C ATOM 912 CG LYS A 57 15.020 -11.540 -8.586 1.00 0.76 C ATOM 913 CD LYS A 57 16.519 -11.772 -8.729 1.00 1.01 C ATOM 914 CE LYS A 57 16.953 -13.085 -8.104 1.00 0.87 C ATOM 915 NZ LYS A 57 18.316 -13.473 -8.549 1.00 1.60 N ATOM 0 H LYS A 57 16.756 -10.129 -6.179 1.00 0.51 H new ATOM 0 HA LYS A 57 15.449 -9.045 -8.394 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.039 -11.260 -6.462 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.582 -10.683 -7.248 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.509 -12.502 -8.549 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.651 -11.018 -9.469 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.787 -11.767 -9.785 1.00 1.01 H new ATOM 0 HD3 LYS A 57 17.060 -10.950 -8.259 1.00 1.01 H new ATOM 0 HE2 LYS A 57 16.935 -12.996 -7.018 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.244 -13.869 -8.372 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 18.497 -14.463 -8.289 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 18.387 -13.368 -9.581 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 19.019 -12.860 -8.089 1.00 1.60 H new ATOM 929 N LEU A 58 14.109 -8.232 -5.489 1.00 0.46 N ATOM 930 CA LEU A 58 13.176 -7.295 -4.867 1.00 0.43 C ATOM 931 C LEU A 58 13.488 -5.884 -5.306 1.00 0.43 C ATOM 932 O LEU A 58 12.592 -5.134 -5.683 1.00 0.42 O ATOM 933 CB LEU A 58 13.244 -7.364 -3.343 1.00 0.43 C ATOM 934 CG LEU A 58 12.003 -6.845 -2.627 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.771 -7.623 -3.063 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.190 -6.938 -1.125 1.00 0.41 C ATOM 0 H LEU A 58 14.648 -8.793 -4.829 1.00 0.46 H new ATOM 0 HA LEU A 58 12.172 -7.575 -5.185 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.412 -8.399 -3.047 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.108 -6.792 -3.005 1.00 0.43 H new ATOM 0 HG LEU A 58 11.857 -5.799 -2.895 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.894 -7.239 -2.541 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.632 -7.511 -4.138 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.903 -8.678 -2.822 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.297 -6.564 -0.623 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.357 -7.978 -0.843 1.00 0.41 H new ATOM 0 HD23 LEU A 58 13.051 -6.339 -0.828 1.00 0.41 H new ATOM 948 N MET A 59 14.765 -5.535 -5.243 1.00 0.46 N ATOM 949 CA MET A 59 15.237 -4.262 -5.751 1.00 0.48 C ATOM 950 C MET A 59 14.696 -4.038 -7.148 1.00 0.48 C ATOM 951 O MET A 59 13.915 -3.133 -7.372 1.00 0.49 O ATOM 952 CB MET A 59 16.768 -4.235 -5.756 1.00 0.54 C ATOM 953 CG MET A 59 17.353 -3.182 -6.683 1.00 0.57 C ATOM 954 SD MET A 59 18.022 -3.903 -8.191 1.00 1.64 S ATOM 955 CE MET A 59 19.496 -4.695 -7.554 1.00 2.39 C ATOM 0 H MET A 59 15.495 -6.123 -4.841 1.00 0.46 H new ATOM 0 HA MET A 59 14.880 -3.460 -5.104 1.00 0.48 H new ATOM 0 HB2 MET A 59 17.124 -4.053 -4.742 1.00 0.54 H new ATOM 0 HB3 MET A 59 17.140 -5.216 -6.053 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.581 -2.457 -6.940 1.00 0.57 H new ATOM 0 HG3 MET A 59 18.140 -2.638 -6.162 1.00 0.57 H new ATOM 0 HE1 MET A 59 20.114 -5.035 -8.385 1.00 2.39 H new ATOM 0 HE2 MET A 59 20.059 -3.984 -6.950 1.00 2.39 H new ATOM 0 HE3 MET A 59 19.213 -5.549 -6.939 1.00 2.39 H new ATOM 965 N SER A 60 15.048 -4.926 -8.051 1.00 0.50 N ATOM 966 CA SER A 60 14.648 -4.802 -9.447 1.00 0.53 C ATOM 967 C SER A 60 13.126 -4.832 -9.611 1.00 0.52 C ATOM 968 O SER A 60 12.594 -4.335 -10.597 1.00 0.56 O ATOM 969 CB SER A 60 15.290 -5.909 -10.276 1.00 0.56 C ATOM 970 OG SER A 60 16.702 -5.877 -10.154 1.00 1.35 O ATOM 0 H SER A 60 15.614 -5.750 -7.848 1.00 0.50 H new ATOM 0 HA SER A 60 14.996 -3.833 -9.805 1.00 0.53 H new ATOM 0 HB2 SER A 60 14.914 -6.879 -9.949 1.00 0.56 H new ATOM 0 HB3 SER A 60 15.009 -5.795 -11.323 1.00 0.56 H new ATOM 0 HG SER A 60 16.973 -5.050 -9.704 1.00 1.35 H new ATOM 976 N ASN A 61 12.430 -5.431 -8.661 1.00 0.49 N ATOM 977 CA ASN A 61 10.983 -5.520 -8.736 1.00 0.51 C ATOM 978 C ASN A 61 10.332 -4.188 -8.409 1.00 0.50 C ATOM 979 O ASN A 61 9.458 -3.710 -9.133 1.00 0.57 O ATOM 980 CB ASN A 61 10.435 -6.584 -7.777 1.00 0.49 C ATOM 981 CG ASN A 61 10.729 -8.006 -8.217 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.805 -8.298 -9.413 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.892 -8.906 -7.255 1.00 0.58 N ATOM 0 H ASN A 61 12.841 -5.861 -7.832 1.00 0.49 H new ATOM 0 HA ASN A 61 10.741 -5.801 -9.761 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.861 -6.423 -6.787 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.356 -6.457 -7.684 1.00 0.49 H new ATOM 0 HD21 ASN A 61 11.088 -9.878 -7.494 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.822 -8.625 -6.277 1.00 0.58 H new ATOM 990 N LEU A 62 10.758 -3.604 -7.305 1.00 0.44 N ATOM 991 CA LEU A 62 10.160 -2.379 -6.801 1.00 0.44 C ATOM 992 C LEU A 62 10.772 -1.192 -7.513 1.00 0.49 C ATOM 993 O LEU A 62 10.065 -0.357 -8.079 1.00 0.55 O ATOM 994 CB LEU A 62 10.407 -2.276 -5.300 1.00 0.38 C ATOM 995 CG LEU A 62 10.395 -3.611 -4.559 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.694 -3.407 -3.085 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.069 -4.330 -4.768 1.00 0.35 C ATOM 0 H LEU A 62 11.524 -3.962 -6.734 1.00 0.44 H new ATOM 0 HA LEU A 62 9.086 -2.389 -6.985 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.371 -1.794 -5.136 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.647 -1.627 -4.864 1.00 0.38 H new ATOM 0 HG LEU A 62 11.181 -4.244 -4.970 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.681 -4.370 -2.574 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.677 -2.950 -2.973 1.00 0.31 H new ATOM 0 HD13 LEU A 62 9.939 -2.754 -2.648 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.081 -5.279 -4.232 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.256 -3.710 -4.391 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.920 -4.516 -5.832 1.00 0.35 H new ATOM 1009 N ASP A 63 12.094 -1.157 -7.475 1.00 0.48 N ATOM 1010 CA ASP A 63 12.903 -0.183 -8.194 1.00 0.54 C ATOM 1011 C ASP A 63 12.678 -0.356 -9.696 1.00 0.57 C ATOM 1012 O ASP A 63 13.419 -1.051 -10.387 1.00 0.63 O ATOM 1013 CB ASP A 63 14.368 -0.403 -7.782 1.00 0.56 C ATOM 1014 CG ASP A 63 15.402 0.266 -8.653 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.457 1.505 -8.700 1.00 1.24 O ATOM 1016 OD2 ASP A 63 16.208 -0.463 -9.266 1.00 1.34 O ATOM 0 H ASP A 63 12.648 -1.819 -6.932 1.00 0.48 H new ATOM 0 HA ASP A 63 12.626 0.842 -7.949 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.496 -0.047 -6.760 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.566 -1.475 -7.773 1.00 0.56 H new ATOM 1021 N SER A 64 11.619 0.275 -10.183 1.00 0.59 N ATOM 1022 CA SER A 64 11.148 0.080 -11.543 1.00 0.64 C ATOM 1023 C SER A 64 12.033 0.842 -12.511 1.00 0.66 C ATOM 1024 O SER A 64 12.187 0.462 -13.674 1.00 0.76 O ATOM 1025 CB SER A 64 9.695 0.552 -11.659 1.00 0.72 C ATOM 1026 OG SER A 64 9.102 0.137 -12.878 1.00 1.37 O ATOM 0 H SER A 64 11.062 0.938 -9.643 1.00 0.59 H new ATOM 0 HA SER A 64 11.194 -0.980 -11.793 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.118 0.160 -10.822 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.659 1.639 -11.589 1.00 0.72 H new ATOM 0 HG SER A 64 8.176 0.455 -12.916 1.00 1.37 H new ATOM 1032 N ASN A 65 12.636 1.904 -12.011 1.00 0.63 N ATOM 1033 CA ASN A 65 13.537 2.720 -12.807 1.00 0.72 C ATOM 1034 C ASN A 65 14.898 2.027 -12.923 1.00 0.69 C ATOM 1035 O ASN A 65 15.746 2.401 -13.735 1.00 0.77 O ATOM 1036 CB ASN A 65 13.689 4.100 -12.162 1.00 0.79 C ATOM 1037 CG ASN A 65 14.765 4.092 -11.108 1.00 1.01 C ATOM 1038 OD1 ASN A 65 15.878 4.547 -11.353 1.00 1.65 O ATOM 1039 ND2 ASN A 65 14.447 3.561 -9.940 1.00 1.16 N ATOM 0 H ASN A 65 12.518 2.225 -11.050 1.00 0.63 H new ATOM 0 HA ASN A 65 13.125 2.846 -13.808 1.00 0.72 H new ATOM 0 HB2 ASN A 65 13.931 4.838 -12.927 1.00 0.79 H new ATOM 0 HB3 ASN A 65 12.741 4.403 -11.716 1.00 0.79 H new ATOM 0 HD21 ASN A 65 15.141 3.517 -9.194 1.00 1.16 H new ATOM 0 HD22 ASN A 65 13.507 3.196 -9.785 1.00 1.16 H new ATOM 1046 N ARG A 66 15.055 0.985 -12.102 1.00 0.60 N ATOM 1047 CA ARG A 66 16.273 0.189 -11.994 1.00 0.60 C ATOM 1048 C ARG A 66 17.490 1.046 -11.668 1.00 0.61 C ATOM 1049 O ARG A 66 18.497 1.021 -12.374 1.00 0.69 O ATOM 1050 CB ARG A 66 16.531 -0.622 -13.249 1.00 0.67 C ATOM 1051 CG ARG A 66 15.420 -1.588 -13.639 1.00 0.71 C ATOM 1052 CD ARG A 66 14.937 -2.481 -12.492 1.00 0.71 C ATOM 1053 NE ARG A 66 14.206 -3.636 -13.011 1.00 0.78 N ATOM 1054 CZ ARG A 66 12.934 -3.600 -13.410 1.00 1.20 C ATOM 1055 NH1 ARG A 66 12.238 -2.473 -13.342 1.00 2.24 N ATOM 1056 NH2 ARG A 66 12.361 -4.697 -13.876 1.00 1.15 N ATOM 0 H ARG A 66 14.315 0.666 -11.477 1.00 0.60 H new ATOM 0 HA ARG A 66 16.112 -0.501 -11.166 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.700 0.066 -14.078 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.452 -1.189 -13.113 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.574 -1.017 -14.022 1.00 0.71 H new ATOM 0 HG3 ARG A 66 15.772 -2.220 -14.454 1.00 0.71 H new ATOM 0 HD2 ARG A 66 15.790 -2.818 -11.903 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.295 -1.908 -11.824 1.00 0.71 H new ATOM 0 HE ARG A 66 14.700 -4.526 -13.072 1.00 0.78 H new ATOM 0 HH11 ARG A 66 12.675 -1.625 -12.982 1.00 2.24 H new ATOM 0 HH12 ARG A 66 11.266 -2.455 -13.649 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.892 -5.566 -13.929 1.00 1.15 H new ATOM 0 HH22 ARG A 66 11.388 -4.674 -14.182 1.00 1.15 H new ATOM 1070 N ASP A 67 17.390 1.783 -10.580 1.00 0.58 N ATOM 1071 CA ASP A 67 18.501 2.583 -10.073 1.00 0.62 C ATOM 1072 C ASP A 67 19.199 1.797 -8.978 1.00 0.56 C ATOM 1073 O ASP A 67 20.254 2.186 -8.470 1.00 0.57 O ATOM 1074 CB ASP A 67 17.985 3.912 -9.519 1.00 0.70 C ATOM 1075 CG ASP A 67 19.073 4.939 -9.295 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.095 4.908 -10.015 1.00 1.64 O ATOM 1077 OD2 ASP A 67 18.896 5.802 -8.415 1.00 1.72 O ATOM 0 H ASP A 67 16.541 1.848 -10.019 1.00 0.58 H new ATOM 0 HA ASP A 67 19.201 2.799 -10.880 1.00 0.62 H new ATOM 0 HB2 ASP A 67 17.247 4.321 -10.209 1.00 0.70 H new ATOM 0 HB3 ASP A 67 17.471 3.728 -8.575 1.00 0.70 H new ATOM 1082 N ASN A 68 18.567 0.676 -8.629 1.00 0.53 N ATOM 1083 CA ASN A 68 19.056 -0.257 -7.619 1.00 0.51 C ATOM 1084 C ASN A 68 18.878 0.315 -6.234 1.00 0.47 C ATOM 1085 O ASN A 68 19.510 -0.122 -5.270 1.00 0.48 O ATOM 1086 CB ASN A 68 20.505 -0.672 -7.881 1.00 0.58 C ATOM 1087 CG ASN A 68 20.639 -1.389 -9.207 1.00 0.73 C ATOM 1088 OD1 ASN A 68 21.722 -1.458 -9.787 1.00 1.08 O ATOM 1089 ND2 ASN A 68 19.520 -1.886 -9.715 1.00 0.66 N ATOM 0 H ASN A 68 17.684 0.387 -9.050 1.00 0.53 H new ATOM 0 HA ASN A 68 18.456 -1.164 -7.685 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.145 0.210 -7.876 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.851 -1.322 -7.077 1.00 0.58 H new ATOM 0 HD21 ASN A 68 19.534 -2.349 -10.624 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.645 -1.805 -9.197 1.00 0.66 H new ATOM 1096 N GLU A 69 17.990 1.285 -6.153 1.00 0.46 N ATOM 1097 CA GLU A 69 17.593 1.871 -4.895 1.00 0.42 C ATOM 1098 C GLU A 69 16.099 2.123 -4.945 1.00 0.41 C ATOM 1099 O GLU A 69 15.625 2.901 -5.767 1.00 0.44 O ATOM 1100 CB GLU A 69 18.331 3.183 -4.636 1.00 0.46 C ATOM 1101 CG GLU A 69 19.838 3.093 -4.793 1.00 0.50 C ATOM 1102 CD GLU A 69 20.540 4.403 -4.502 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.887 4.648 -3.332 1.00 1.29 O ATOM 1104 OE2 GLU A 69 20.766 5.188 -5.447 1.00 1.31 O ATOM 0 H GLU A 69 17.523 1.689 -6.964 1.00 0.46 H new ATOM 0 HA GLU A 69 17.844 1.188 -4.084 1.00 0.42 H new ATOM 0 HB2 GLU A 69 17.951 3.941 -5.320 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.102 3.522 -3.626 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.223 2.324 -4.123 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.074 2.778 -5.809 1.00 0.50 H new ATOM 1111 N VAL A 70 15.371 1.467 -4.066 1.00 0.37 N ATOM 1112 CA VAL A 70 13.909 1.522 -4.092 1.00 0.36 C ATOM 1113 C VAL A 70 13.393 2.816 -3.480 1.00 0.35 C ATOM 1114 O VAL A 70 13.633 3.090 -2.310 1.00 0.36 O ATOM 1115 CB VAL A 70 13.292 0.326 -3.339 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.807 0.541 -3.094 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.512 -0.953 -4.120 1.00 0.37 C ATOM 0 H VAL A 70 15.759 0.887 -3.322 1.00 0.37 H new ATOM 0 HA VAL A 70 13.609 1.479 -5.139 1.00 0.36 H new ATOM 0 HB VAL A 70 13.787 0.243 -2.372 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.398 -0.318 -2.562 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.663 1.441 -2.496 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.293 0.654 -4.049 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.072 -1.790 -3.578 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.041 -0.867 -5.099 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.581 -1.124 -4.245 1.00 0.37 H new ATOM 1127 N ASP A 71 12.678 3.600 -4.276 1.00 0.38 N ATOM 1128 CA ASP A 71 12.181 4.898 -3.824 1.00 0.39 C ATOM 1129 C ASP A 71 10.953 4.756 -2.929 1.00 0.37 C ATOM 1130 O ASP A 71 10.378 3.673 -2.825 1.00 0.35 O ATOM 1131 CB ASP A 71 11.872 5.811 -5.023 1.00 0.45 C ATOM 1132 CG ASP A 71 10.387 6.096 -5.221 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.702 5.301 -5.886 1.00 1.43 O ATOM 1134 OD2 ASP A 71 9.896 7.127 -4.706 1.00 1.35 O ATOM 0 H ASP A 71 12.428 3.363 -5.236 1.00 0.38 H new ATOM 0 HA ASP A 71 12.970 5.358 -3.229 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.398 6.756 -4.891 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.267 5.350 -5.928 1.00 0.45 H new ATOM 1139 N PHE A 72 10.585 5.858 -2.265 1.00 0.41 N ATOM 1140 CA PHE A 72 9.385 5.919 -1.426 1.00 0.44 C ATOM 1141 C PHE A 72 8.212 5.222 -2.100 1.00 0.40 C ATOM 1142 O PHE A 72 7.574 4.336 -1.528 1.00 0.42 O ATOM 1143 CB PHE A 72 8.972 7.372 -1.188 1.00 0.54 C ATOM 1144 CG PHE A 72 9.720 8.125 -0.124 1.00 0.94 C ATOM 1145 CD1 PHE A 72 10.889 8.802 -0.422 1.00 1.70 C ATOM 1146 CD2 PHE A 72 9.223 8.197 1.168 1.00 1.69 C ATOM 1147 CE1 PHE A 72 11.553 9.527 0.546 1.00 2.17 C ATOM 1148 CE2 PHE A 72 9.880 8.928 2.138 1.00 2.18 C ATOM 1149 CZ PHE A 72 11.047 9.593 1.825 1.00 2.15 C ATOM 0 H PHE A 72 11.111 6.731 -2.295 1.00 0.41 H new ATOM 0 HA PHE A 72 9.628 5.426 -0.485 1.00 0.44 H new ATOM 0 HB2 PHE A 72 9.081 7.914 -2.127 1.00 0.54 H new ATOM 0 HB3 PHE A 72 7.912 7.386 -0.933 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.287 8.763 -1.425 1.00 1.70 H new ATOM 0 HD2 PHE A 72 8.311 7.675 1.419 1.00 1.69 H new ATOM 0 HE1 PHE A 72 12.470 10.043 0.301 1.00 2.17 H new ATOM 0 HE2 PHE A 72 9.481 8.979 3.140 1.00 2.18 H new ATOM 0 HZ PHE A 72 11.563 10.165 2.582 1.00 2.15 H new ATOM 1159 N GLN A 73 7.953 5.631 -3.332 1.00 0.38 N ATOM 1160 CA GLN A 73 6.809 5.148 -4.085 1.00 0.37 C ATOM 1161 C GLN A 73 6.974 3.685 -4.426 1.00 0.36 C ATOM 1162 O GLN A 73 6.064 2.893 -4.221 1.00 0.37 O ATOM 1163 CB GLN A 73 6.629 5.960 -5.367 1.00 0.41 C ATOM 1164 CG GLN A 73 5.368 5.617 -6.144 1.00 0.50 C ATOM 1165 CD GLN A 73 5.601 4.752 -7.385 1.00 0.42 C ATOM 1166 OE1 GLN A 73 4.873 4.874 -8.370 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.575 3.851 -7.344 1.00 0.41 N ATOM 0 H GLN A 73 8.529 6.305 -3.836 1.00 0.38 H new ATOM 0 HA GLN A 73 5.922 5.267 -3.463 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.611 7.020 -5.114 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.494 5.801 -6.010 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.677 5.098 -5.480 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.881 6.543 -6.449 1.00 0.50 H new ATOM 0 HE21 GLN A 73 7.163 3.773 -6.514 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.736 3.237 -8.143 1.00 0.41 H new ATOM 1176 N GLU A 74 8.132 3.339 -4.969 1.00 0.37 N ATOM 1177 CA GLU A 74 8.429 1.963 -5.337 1.00 0.40 C ATOM 1178 C GLU A 74 8.308 1.051 -4.121 1.00 0.38 C ATOM 1179 O GLU A 74 7.918 -0.110 -4.234 1.00 0.41 O ATOM 1180 CB GLU A 74 9.829 1.880 -5.950 1.00 0.45 C ATOM 1181 CG GLU A 74 9.968 2.698 -7.228 1.00 0.59 C ATOM 1182 CD GLU A 74 11.386 2.745 -7.757 1.00 1.40 C ATOM 1183 OE1 GLU A 74 12.323 2.821 -6.941 1.00 2.04 O ATOM 1184 OE2 GLU A 74 11.561 2.716 -9.004 1.00 2.18 O ATOM 0 H GLU A 74 8.886 3.998 -5.165 1.00 0.37 H new ATOM 0 HA GLU A 74 7.707 1.627 -6.081 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.560 2.228 -5.221 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.065 0.838 -6.165 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.316 2.277 -7.993 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.624 3.715 -7.040 1.00 0.59 H new ATOM 1191 N TYR A 75 8.613 1.604 -2.957 1.00 0.34 N ATOM 1192 CA TYR A 75 8.477 0.891 -1.705 1.00 0.37 C ATOM 1193 C TYR A 75 7.000 0.794 -1.295 1.00 0.34 C ATOM 1194 O TYR A 75 6.559 -0.220 -0.756 1.00 0.34 O ATOM 1195 CB TYR A 75 9.294 1.588 -0.613 1.00 0.43 C ATOM 1196 CG TYR A 75 9.156 0.925 0.742 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.614 -0.369 0.944 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.558 1.583 1.810 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.482 -0.990 2.170 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.422 0.968 3.042 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.886 -0.320 3.217 1.00 1.84 C ATOM 1202 OH TYR A 75 8.769 -0.938 4.441 1.00 2.33 O ATOM 0 H TYR A 75 8.961 2.558 -2.858 1.00 0.34 H new ATOM 0 HA TYR A 75 8.859 -0.121 -1.836 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.345 1.596 -0.902 1.00 0.43 H new ATOM 0 HB3 TYR A 75 8.976 2.628 -0.537 1.00 0.43 H new ATOM 0 HD1 TYR A 75 10.082 -0.900 0.128 1.00 1.50 H new ATOM 0 HD2 TYR A 75 8.193 2.591 1.676 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.845 -1.998 2.308 1.00 1.86 H new ATOM 0 HE2 TYR A 75 7.955 1.493 3.862 1.00 2.09 H new ATOM 0 HH TYR A 75 7.856 -1.277 4.551 1.00 2.33 H new ATOM 1212 N SER A 76 6.239 1.853 -1.557 1.00 0.35 N ATOM 1213 CA SER A 76 4.802 1.855 -1.281 1.00 0.37 C ATOM 1214 C SER A 76 4.078 0.855 -2.181 1.00 0.36 C ATOM 1215 O SER A 76 3.217 0.103 -1.725 1.00 0.41 O ATOM 1216 CB SER A 76 4.217 3.258 -1.479 1.00 0.41 C ATOM 1217 OG SER A 76 2.800 3.233 -1.449 1.00 1.21 O ATOM 0 H SER A 76 6.591 2.721 -1.960 1.00 0.35 H new ATOM 0 HA SER A 76 4.657 1.558 -0.242 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.588 3.923 -0.699 1.00 0.41 H new ATOM 0 HB3 SER A 76 4.556 3.665 -2.432 1.00 0.41 H new ATOM 0 HG SER A 76 2.458 2.998 -2.337 1.00 1.21 H new ATOM 1223 N VAL A 77 4.453 0.842 -3.453 1.00 0.35 N ATOM 1224 CA VAL A 77 3.876 -0.074 -4.424 1.00 0.36 C ATOM 1225 C VAL A 77 4.263 -1.490 -4.053 1.00 0.33 C ATOM 1226 O VAL A 77 3.523 -2.442 -4.285 1.00 0.33 O ATOM 1227 CB VAL A 77 4.361 0.232 -5.859 1.00 0.40 C ATOM 1228 CG1 VAL A 77 3.825 -0.796 -6.845 1.00 0.43 C ATOM 1229 CG2 VAL A 77 3.948 1.636 -6.273 1.00 0.44 C ATOM 0 H VAL A 77 5.163 1.464 -3.839 1.00 0.35 H new ATOM 0 HA VAL A 77 2.793 0.046 -4.406 1.00 0.36 H new ATOM 0 HB VAL A 77 5.449 0.174 -5.869 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.181 -0.558 -7.848 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.175 -1.789 -6.562 1.00 0.43 H new ATOM 0 HG13 VAL A 77 2.735 -0.778 -6.833 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.298 1.834 -7.286 1.00 0.44 H new ATOM 0 HG22 VAL A 77 2.862 1.720 -6.241 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.388 2.361 -5.589 1.00 0.44 H new ATOM 1239 N PHE A 78 5.438 -1.602 -3.465 1.00 0.32 N ATOM 1240 CA PHE A 78 5.913 -2.856 -2.920 1.00 0.29 C ATOM 1241 C PHE A 78 4.948 -3.375 -1.864 1.00 0.27 C ATOM 1242 O PHE A 78 4.379 -4.458 -2.007 1.00 0.28 O ATOM 1243 CB PHE A 78 7.290 -2.647 -2.304 1.00 0.27 C ATOM 1244 CG PHE A 78 7.782 -3.822 -1.508 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.611 -5.117 -1.969 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.411 -3.625 -0.294 1.00 1.18 C ATOM 1247 CE1 PHE A 78 8.056 -6.191 -1.231 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.860 -4.695 0.447 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.682 -5.980 -0.022 1.00 0.37 C ATOM 0 H PHE A 78 6.089 -0.825 -3.352 1.00 0.32 H new ATOM 0 HA PHE A 78 5.978 -3.592 -3.722 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.005 -2.433 -3.099 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.260 -1.769 -1.658 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.123 -5.286 -2.918 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.552 -2.621 0.078 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.915 -7.196 -1.599 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.351 -4.528 1.394 1.00 1.19 H new ATOM 0 HZ PHE A 78 9.033 -6.820 0.558 1.00 0.37 H new ATOM 1259 N LEU A 79 4.771 -2.588 -0.812 1.00 0.27 N ATOM 1260 CA LEU A 79 3.886 -2.953 0.284 1.00 0.26 C ATOM 1261 C LEU A 79 2.474 -3.190 -0.226 1.00 0.31 C ATOM 1262 O LEU A 79 1.775 -4.093 0.239 1.00 0.33 O ATOM 1263 CB LEU A 79 3.880 -1.859 1.345 1.00 0.29 C ATOM 1264 CG LEU A 79 5.257 -1.453 1.871 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.100 -0.553 3.072 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.096 -2.671 2.224 1.00 0.30 C ATOM 0 H LEU A 79 5.233 -1.686 -0.695 1.00 0.27 H new ATOM 0 HA LEU A 79 4.255 -3.877 0.730 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.393 -0.976 0.931 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.272 -2.194 2.186 1.00 0.29 H new ATOM 0 HG LEU A 79 5.779 -0.911 1.082 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.084 -0.267 3.443 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.545 0.341 2.787 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.557 -1.082 3.855 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.069 -2.348 2.595 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.589 -3.251 2.995 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.233 -3.288 1.336 1.00 0.30 H new ATOM 1278 N SER A 80 2.066 -2.374 -1.190 1.00 0.36 N ATOM 1279 CA SER A 80 0.793 -2.555 -1.853 1.00 0.47 C ATOM 1280 C SER A 80 0.727 -3.944 -2.455 1.00 0.37 C ATOM 1281 O SER A 80 -0.169 -4.714 -2.138 1.00 0.38 O ATOM 1282 CB SER A 80 0.607 -1.513 -2.951 1.00 0.66 C ATOM 1283 OG SER A 80 -0.707 -1.554 -3.483 1.00 0.84 O ATOM 0 H SER A 80 2.606 -1.577 -1.527 1.00 0.36 H new ATOM 0 HA SER A 80 -0.003 -2.434 -1.119 1.00 0.47 H new ATOM 0 HB2 SER A 80 0.809 -0.520 -2.550 1.00 0.66 H new ATOM 0 HB3 SER A 80 1.330 -1.688 -3.748 1.00 0.66 H new ATOM 0 HG SER A 80 -0.801 -2.338 -4.063 1.00 0.84 H new ATOM 1289 N SER A 81 1.709 -4.264 -3.295 1.00 0.33 N ATOM 1290 CA SER A 81 1.771 -5.556 -3.962 1.00 0.30 C ATOM 1291 C SER A 81 1.728 -6.690 -2.948 1.00 0.24 C ATOM 1292 O SER A 81 1.101 -7.715 -3.191 1.00 0.26 O ATOM 1293 CB SER A 81 3.036 -5.652 -4.818 1.00 0.37 C ATOM 1294 OG SER A 81 3.072 -4.616 -5.787 1.00 1.22 O ATOM 0 H SER A 81 2.478 -3.637 -3.529 1.00 0.33 H new ATOM 0 HA SER A 81 0.901 -5.648 -4.613 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.917 -5.589 -4.180 1.00 0.37 H new ATOM 0 HB3 SER A 81 3.071 -6.621 -5.315 1.00 0.37 H new ATOM 0 HG SER A 81 3.388 -3.788 -5.369 1.00 1.22 H new ATOM 1300 N ILE A 82 2.380 -6.491 -1.804 1.00 0.23 N ATOM 1301 CA ILE A 82 2.320 -7.460 -0.720 1.00 0.23 C ATOM 1302 C ILE A 82 0.876 -7.728 -0.330 1.00 0.27 C ATOM 1303 O ILE A 82 0.401 -8.858 -0.406 1.00 0.30 O ATOM 1304 CB ILE A 82 3.056 -6.977 0.542 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.528 -6.679 0.238 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.918 -8.021 1.644 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.332 -6.280 1.457 1.00 0.23 C ATOM 0 H ILE A 82 2.953 -5.670 -1.607 1.00 0.23 H new ATOM 0 HA ILE A 82 2.804 -8.363 -1.093 1.00 0.23 H new ATOM 0 HB ILE A 82 2.603 -6.047 0.884 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.982 -7.561 -0.213 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.583 -5.879 -0.500 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.440 -7.678 2.538 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.863 -8.170 1.874 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.353 -8.963 1.309 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.364 -6.085 1.164 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.903 -5.380 1.897 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.309 -7.088 2.188 1.00 0.23 H new ATOM 1319 N ALA A 83 0.186 -6.669 0.075 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.191 -6.775 0.524 1.00 0.36 C ATOM 1321 C ALA A 83 -2.095 -7.271 -0.605 1.00 0.37 C ATOM 1322 O ALA A 83 -3.044 -8.011 -0.364 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.667 -5.434 1.071 1.00 0.40 C ATOM 0 H ALA A 83 0.564 -5.722 0.101 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.243 -7.509 1.328 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.701 -5.524 1.405 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.038 -5.140 1.911 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.603 -4.678 0.288 1.00 0.40 H new ATOM 1329 N MET A 84 -1.770 -6.882 -1.837 1.00 0.37 N ATOM 1330 CA MET A 84 -2.498 -7.342 -3.019 1.00 0.43 C ATOM 1331 C MET A 84 -2.400 -8.852 -3.136 1.00 0.34 C ATOM 1332 O MET A 84 -3.407 -9.555 -3.163 1.00 0.37 O ATOM 1333 CB MET A 84 -1.930 -6.715 -4.298 1.00 0.64 C ATOM 1334 CG MET A 84 -2.020 -5.202 -4.350 1.00 0.44 C ATOM 1335 SD MET A 84 -1.138 -4.498 -5.760 1.00 1.00 S ATOM 1336 CE MET A 84 -1.845 -5.424 -7.121 1.00 1.26 C ATOM 0 H MET A 84 -1.001 -6.244 -2.043 1.00 0.37 H new ATOM 0 HA MET A 84 -3.539 -7.039 -2.904 1.00 0.43 H new ATOM 0 HB2 MET A 84 -0.885 -7.008 -4.398 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.460 -7.128 -5.156 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.068 -4.906 -4.398 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.613 -4.786 -3.428 1.00 0.44 H new ATOM 0 HE1 MET A 84 -2.136 -4.737 -7.916 1.00 1.26 H new ATOM 0 HE2 MET A 84 -1.107 -6.130 -7.503 1.00 1.26 H new ATOM 0 HE3 MET A 84 -2.722 -5.969 -6.773 1.00 1.26 H new ATOM 1346 N MET A 85 -1.170 -9.343 -3.198 1.00 0.34 N ATOM 1347 CA MET A 85 -0.917 -10.772 -3.284 1.00 0.35 C ATOM 1348 C MET A 85 -1.576 -11.479 -2.113 1.00 0.35 C ATOM 1349 O MET A 85 -2.276 -12.472 -2.285 1.00 0.42 O ATOM 1350 CB MET A 85 0.588 -11.046 -3.280 1.00 0.39 C ATOM 1351 CG MET A 85 1.333 -10.378 -4.425 1.00 1.36 C ATOM 1352 SD MET A 85 0.967 -11.109 -6.032 1.00 2.66 S ATOM 1353 CE MET A 85 2.123 -10.215 -7.068 1.00 3.35 C ATOM 0 H MET A 85 -0.328 -8.767 -3.190 1.00 0.34 H new ATOM 0 HA MET A 85 -1.337 -11.150 -4.216 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.009 -10.702 -2.335 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.753 -12.122 -3.330 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.077 -9.319 -4.448 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.405 -10.443 -4.239 1.00 1.36 H new ATOM 0 HE1 MET A 85 2.023 -10.552 -8.100 1.00 3.35 H new ATOM 0 HE2 MET A 85 1.911 -9.147 -7.013 1.00 3.35 H new ATOM 0 HE3 MET A 85 3.140 -10.401 -6.723 1.00 3.35 H new ATOM 1363 N SER A 86 -1.378 -10.922 -0.928 1.00 0.33 N ATOM 1364 CA SER A 86 -1.940 -11.475 0.289 1.00 0.39 C ATOM 1365 C SER A 86 -3.468 -11.562 0.222 1.00 0.43 C ATOM 1366 O SER A 86 -4.057 -12.487 0.773 1.00 0.57 O ATOM 1367 CB SER A 86 -1.509 -10.624 1.487 1.00 0.43 C ATOM 1368 OG SER A 86 -0.095 -10.564 1.581 1.00 1.24 O ATOM 0 H SER A 86 -0.825 -10.077 -0.786 1.00 0.33 H new ATOM 0 HA SER A 86 -1.561 -12.490 0.405 1.00 0.39 H new ATOM 0 HB2 SER A 86 -1.914 -9.617 1.388 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.921 -11.044 2.404 1.00 0.43 H new ATOM 0 HG SER A 86 0.238 -9.824 1.031 1.00 1.24 H new ATOM 1374 N ASN A 87 -4.108 -10.611 -0.457 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.569 -10.560 -0.494 1.00 0.51 C ATOM 1376 C ASN A 87 -6.150 -11.462 -1.591 1.00 0.44 C ATOM 1377 O ASN A 87 -7.202 -12.094 -1.412 1.00 0.53 O ATOM 1378 CB ASN A 87 -6.057 -9.102 -0.601 1.00 0.69 C ATOM 1379 CG ASN A 87 -5.887 -8.411 -1.958 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -5.417 -7.279 -2.019 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -6.321 -9.037 -3.037 1.00 1.49 N ATOM 0 H ASN A 87 -3.643 -9.872 -0.984 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.946 -10.961 0.447 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -7.115 -9.078 -0.339 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.529 -8.512 0.148 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -6.270 -8.580 -3.947 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -6.707 -9.978 -2.960 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.480 -11.516 -2.727 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.871 -12.431 -3.786 1.00 0.43 C ATOM 1390 C GLU A 88 -5.742 -13.849 -3.271 1.00 0.52 C ATOM 1391 O GLU A 88 -6.680 -14.638 -3.324 1.00 0.66 O ATOM 1392 CB GLU A 88 -4.990 -12.231 -5.013 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.954 -10.800 -5.507 1.00 0.51 C ATOM 1394 CD GLU A 88 -6.155 -10.459 -6.345 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -7.289 -10.671 -5.876 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -5.964 -9.985 -7.481 1.00 1.73 O ATOM 0 H GLU A 88 -4.666 -10.940 -2.941 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.903 -12.237 -4.078 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.975 -12.551 -4.777 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.348 -12.875 -5.816 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -4.905 -10.124 -4.654 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.048 -10.642 -6.092 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.568 -14.132 -2.740 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.289 -15.392 -2.060 1.00 0.63 C ATOM 1405 C PHE A 89 -5.142 -15.556 -0.804 1.00 0.66 C ATOM 1406 O PHE A 89 -5.287 -16.668 -0.290 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.810 -15.453 -1.678 1.00 0.73 C ATOM 1408 CG PHE A 89 -1.885 -15.789 -2.818 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -1.644 -14.878 -3.834 1.00 2.16 C ATOM 1410 CD2 PHE A 89 -1.247 -17.017 -2.865 1.00 1.71 C ATOM 1411 CE1 PHE A 89 -0.787 -15.183 -4.872 1.00 2.80 C ATOM 1412 CE2 PHE A 89 -0.389 -17.331 -3.903 1.00 2.38 C ATOM 1413 CZ PHE A 89 -0.159 -16.412 -4.907 1.00 2.70 C ATOM 0 H PHE A 89 -3.773 -13.493 -2.766 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.535 -16.203 -2.746 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.516 -14.491 -1.259 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.681 -16.196 -0.891 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.134 -13.916 -3.813 1.00 2.16 H new ATOM 0 HD2 PHE A 89 -1.422 -17.739 -2.081 1.00 1.71 H new ATOM 0 HE1 PHE A 89 -0.608 -14.462 -5.655 1.00 2.80 H new ATOM 0 HE2 PHE A 89 0.100 -18.293 -3.928 1.00 2.38 H new ATOM 0 HZ PHE A 89 0.511 -16.654 -5.719 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.694 -14.454 -0.303 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.557 -14.508 0.871 1.00 0.68 C ATOM 1425 C PHE A 90 -7.770 -15.366 0.575 1.00 0.68 C ATOM 1426 O PHE A 90 -8.143 -16.225 1.375 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.987 -13.106 1.301 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.869 -13.074 2.518 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -7.318 -13.150 3.787 1.00 1.53 C ATOM 1430 CD2 PHE A 90 -9.245 -12.960 2.394 1.00 1.46 C ATOM 1431 CE1 PHE A 90 -8.123 -13.116 4.909 1.00 1.64 C ATOM 1432 CE2 PHE A 90 -10.054 -12.927 3.513 1.00 1.59 C ATOM 1433 CZ PHE A 90 -9.493 -13.003 4.772 1.00 1.21 C ATOM 0 H PHE A 90 -5.560 -13.519 -0.689 1.00 0.60 H new ATOM 0 HA PHE A 90 -5.996 -14.952 1.694 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -6.096 -12.510 1.497 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.513 -12.630 0.473 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -6.247 -13.237 3.900 1.00 1.53 H new ATOM 0 HD2 PHE A 90 -9.689 -12.896 1.412 1.00 1.46 H new ATOM 0 HE1 PHE A 90 -7.682 -13.178 5.893 1.00 1.64 H new ATOM 0 HE2 PHE A 90 -11.125 -12.842 3.403 1.00 1.59 H new ATOM 0 HZ PHE A 90 -10.124 -12.974 5.648 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.388 -15.147 -0.578 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.486 -16.011 -0.980 1.00 0.72 C ATOM 1445 C GLU A 91 -8.970 -17.159 -1.846 1.00 0.77 C ATOM 1446 O GLU A 91 -9.586 -18.224 -1.920 1.00 0.96 O ATOM 1447 CB GLU A 91 -10.584 -15.241 -1.704 1.00 0.83 C ATOM 1448 CG GLU A 91 -10.255 -14.956 -3.141 1.00 0.92 C ATOM 1449 CD GLU A 91 -11.354 -14.209 -3.863 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -12.460 -14.771 -4.007 1.00 2.25 O ATOM 1451 OE2 GLU A 91 -11.105 -13.071 -4.303 1.00 2.23 O ATOM 0 H GLU A 91 -8.156 -14.401 -1.234 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.928 -16.424 -0.073 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -11.511 -15.812 -1.656 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.762 -14.299 -1.185 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -9.335 -14.373 -3.188 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -10.063 -15.897 -3.657 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.839 -16.935 -2.500 1.00 0.71 N ATOM 1459 CA GLY A 92 -7.209 -17.981 -3.281 1.00 0.82 C ATOM 1460 C GLY A 92 -7.262 -17.695 -4.765 1.00 0.81 C ATOM 1461 O GLY A 92 -6.584 -18.345 -5.560 1.00 0.92 O ATOM 0 H GLY A 92 -7.344 -16.043 -2.504 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -6.170 -18.089 -2.970 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -7.703 -18.931 -3.078 1.00 0.82 H new ATOM 1465 N PHE A 93 -8.065 -16.710 -5.131 1.00 0.76 N ATOM 1466 CA PHE A 93 -8.230 -16.316 -6.520 1.00 0.78 C ATOM 1467 C PHE A 93 -8.340 -14.805 -6.612 1.00 0.69 C ATOM 1468 O PHE A 93 -8.771 -14.151 -5.666 1.00 0.82 O ATOM 1469 CB PHE A 93 -9.493 -16.946 -7.120 1.00 1.00 C ATOM 1470 CG PHE A 93 -9.425 -18.436 -7.283 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -8.733 -18.995 -8.344 1.00 2.41 C ATOM 1472 CD2 PHE A 93 -10.055 -19.276 -6.381 1.00 2.59 C ATOM 1473 CE1 PHE A 93 -8.669 -20.365 -8.502 1.00 3.46 C ATOM 1474 CE2 PHE A 93 -9.996 -20.648 -6.534 1.00 3.60 C ATOM 1475 CZ PHE A 93 -9.301 -21.193 -7.596 1.00 3.91 C ATOM 0 H PHE A 93 -8.620 -16.161 -4.474 1.00 0.76 H new ATOM 0 HA PHE A 93 -7.362 -16.664 -7.079 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -10.344 -16.701 -6.484 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -9.682 -16.494 -8.094 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -8.238 -18.352 -9.056 1.00 2.41 H new ATOM 0 HD2 PHE A 93 -10.599 -18.854 -5.548 1.00 2.59 H new ATOM 0 HE1 PHE A 93 -8.125 -20.788 -9.333 1.00 3.46 H new ATOM 0 HE2 PHE A 93 -10.493 -21.293 -5.824 1.00 3.60 H new ATOM 0 HZ PHE A 93 -9.252 -22.265 -7.717 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.937 -14.217 -7.738 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.176 -12.812 -7.998 1.00 0.61 C ATOM 1487 C PRO A 94 -9.555 -12.615 -8.616 1.00 0.71 C ATOM 1488 O PRO A 94 -9.706 -12.040 -9.696 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.054 -12.474 -8.968 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.882 -13.711 -9.776 1.00 0.84 C ATOM 1491 CD PRO A 94 -7.191 -14.858 -8.840 1.00 0.83 C ATOM 0 HA PRO A 94 -8.174 -12.177 -7.112 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.314 -11.622 -9.596 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.137 -12.213 -8.440 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -7.554 -13.714 -10.634 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.867 -13.786 -10.165 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -7.786 -15.628 -9.332 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -6.281 -15.339 -8.481 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.556 -13.105 -7.893 1.00 0.71 N ATOM 1500 CA ASP A 95 -11.923 -13.190 -8.392 1.00 0.88 C ATOM 1501 C ASP A 95 -12.698 -11.911 -8.114 1.00 0.84 C ATOM 1502 O ASP A 95 -13.796 -11.702 -8.629 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.614 -14.393 -7.748 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.043 -14.586 -8.218 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.240 -15.055 -9.361 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -14.976 -14.285 -7.446 1.00 2.40 O ATOM 0 H ASP A 95 -10.442 -13.455 -6.942 1.00 0.71 H new ATOM 0 HA ASP A 95 -11.896 -13.319 -9.474 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.041 -15.294 -7.969 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -12.608 -14.270 -6.665 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.095 -11.043 -7.326 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.700 -9.770 -6.969 1.00 0.86 C ATOM 1513 C LYS A 96 -12.589 -8.828 -8.153 1.00 0.84 C ATOM 1514 O LYS A 96 -13.310 -7.839 -8.274 1.00 0.95 O ATOM 1515 CB LYS A 96 -11.968 -9.190 -5.765 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.796 -10.192 -4.640 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.826 -9.700 -3.571 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.382 -9.983 -3.964 1.00 0.84 C ATOM 1519 NZ LYS A 96 -9.116 -11.436 -4.125 1.00 1.86 N ATOM 0 H LYS A 96 -11.174 -11.197 -6.915 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.751 -9.907 -6.713 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -10.987 -8.833 -6.080 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -12.518 -8.325 -5.394 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -12.765 -10.393 -4.184 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -11.435 -11.136 -5.049 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.961 -8.629 -3.419 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.049 -10.187 -2.622 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -9.154 -9.469 -4.898 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -8.715 -9.576 -3.205 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -8.498 -11.587 -4.947 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.650 -11.800 -3.270 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -10.014 -11.939 -4.271 1.00 1.86 H new ATOM 1533 N GLN A 97 -11.676 -9.184 -9.030 1.00 0.85 N ATOM 1534 CA GLN A 97 -11.362 -8.407 -10.210 1.00 1.00 C ATOM 1535 C GLN A 97 -11.529 -9.286 -11.428 1.00 1.03 C ATOM 1536 O GLN A 97 -11.458 -10.508 -11.328 1.00 1.07 O ATOM 1537 CB GLN A 97 -9.916 -7.931 -10.124 1.00 1.19 C ATOM 1538 CG GLN A 97 -9.517 -7.503 -8.724 1.00 1.19 C ATOM 1539 CD GLN A 97 -8.023 -7.429 -8.548 1.00 1.05 C ATOM 1540 OE1 GLN A 97 -7.290 -7.071 -9.470 1.00 1.71 O ATOM 1541 NE2 GLN A 97 -7.566 -7.803 -7.372 1.00 0.97 N ATOM 0 H GLN A 97 -11.122 -10.036 -8.942 1.00 0.85 H new ATOM 0 HA GLN A 97 -12.026 -7.545 -10.280 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -9.255 -8.732 -10.456 1.00 1.19 H new ATOM 0 HB3 GLN A 97 -9.773 -7.095 -10.809 1.00 1.19 H new ATOM 0 HG2 GLN A 97 -9.954 -6.528 -8.507 1.00 1.19 H new ATOM 0 HG3 GLN A 97 -9.931 -8.206 -8.001 1.00 1.19 H new ATOM 0 HE21 GLN A 97 -8.216 -8.091 -6.640 1.00 0.97 H new ATOM 0 HE22 GLN A 97 -6.562 -7.805 -7.192 1.00 0.97 H new ATOM 1550 N PRO A 98 -11.722 -8.686 -12.593 1.00 1.26 N ATOM 1551 CA PRO A 98 -11.779 -9.396 -13.841 1.00 1.46 C ATOM 1552 C PRO A 98 -10.378 -9.526 -14.410 1.00 1.51 C ATOM 1553 O PRO A 98 -10.127 -9.220 -15.573 1.00 1.97 O ATOM 1554 CB PRO A 98 -12.655 -8.500 -14.727 1.00 1.83 C ATOM 1555 CG PRO A 98 -12.735 -7.176 -14.024 1.00 1.83 C ATOM 1556 CD PRO A 98 -11.837 -7.261 -12.818 1.00 1.53 C ATOM 0 HA PRO A 98 -12.178 -10.407 -13.756 1.00 1.46 H new ATOM 0 HB2 PRO A 98 -12.220 -8.389 -15.720 1.00 1.83 H new ATOM 0 HB3 PRO A 98 -13.647 -8.932 -14.860 1.00 1.83 H new ATOM 0 HG2 PRO A 98 -12.418 -6.369 -14.685 1.00 1.83 H new ATOM 0 HG3 PRO A 98 -13.761 -6.959 -13.726 1.00 1.83 H new ATOM 0 HD2 PRO A 98 -10.866 -6.803 -13.006 1.00 1.53 H new ATOM 0 HD3 PRO A 98 -12.269 -6.751 -11.957 1.00 1.53 H new ATOM 1564 N ARG A 99 -9.453 -9.926 -13.550 1.00 1.37 N ATOM 1565 CA ARG A 99 -8.087 -10.147 -13.963 1.00 1.57 C ATOM 1566 C ARG A 99 -7.861 -11.643 -14.140 1.00 1.88 C ATOM 1567 O ARG A 99 -6.890 -12.075 -14.756 1.00 2.42 O ATOM 1568 CB ARG A 99 -7.100 -9.560 -12.954 1.00 2.01 C ATOM 1569 CG ARG A 99 -7.101 -10.258 -11.609 1.00 1.97 C ATOM 1570 CD ARG A 99 -6.133 -9.597 -10.646 1.00 2.58 C ATOM 1571 NE ARG A 99 -4.753 -9.642 -11.130 1.00 3.49 N ATOM 1572 CZ ARG A 99 -3.686 -9.660 -10.333 1.00 4.43 C ATOM 1573 NH1 ARG A 99 -3.834 -9.697 -9.015 1.00 4.69 N ATOM 1574 NH2 ARG A 99 -2.466 -9.659 -10.854 1.00 5.41 N ATOM 0 H ARG A 99 -9.630 -10.103 -12.561 1.00 1.37 H new ATOM 0 HA ARG A 99 -7.913 -9.638 -14.911 1.00 1.57 H new ATOM 0 HB2 ARG A 99 -6.096 -9.607 -13.375 1.00 2.01 H new ATOM 0 HB3 ARG A 99 -7.334 -8.506 -12.804 1.00 2.01 H new ATOM 0 HG2 ARG A 99 -8.106 -10.240 -11.188 1.00 1.97 H new ATOM 0 HG3 ARG A 99 -6.829 -11.305 -11.740 1.00 1.97 H new ATOM 0 HD2 ARG A 99 -6.428 -8.559 -10.492 1.00 2.58 H new ATOM 0 HD3 ARG A 99 -6.192 -10.092 -9.677 1.00 2.58 H new ATOM 0 HE ARG A 99 -4.599 -9.661 -12.138 1.00 3.49 H new ATOM 0 HH11 ARG A 99 -4.769 -9.712 -8.607 1.00 4.69 H new ATOM 0 HH12 ARG A 99 -3.013 -9.711 -8.410 1.00 4.69 H new ATOM 0 HH21 ARG A 99 -2.344 -9.644 -11.867 1.00 5.41 H new ATOM 0 HH22 ARG A 99 -1.650 -9.673 -10.242 1.00 5.41 H new ATOM 1588 N LYS A 100 -8.767 -12.424 -13.560 1.00 2.17 N ATOM 1589 CA LYS A 100 -8.873 -13.844 -13.861 1.00 2.96 C ATOM 1590 C LYS A 100 -9.965 -14.027 -14.902 1.00 3.80 C ATOM 1591 O LYS A 100 -9.877 -14.893 -15.773 1.00 4.60 O ATOM 1592 CB LYS A 100 -9.196 -14.646 -12.597 1.00 3.58 C ATOM 1593 CG LYS A 100 -9.591 -16.090 -12.862 1.00 4.14 C ATOM 1594 CD LYS A 100 -9.898 -16.827 -11.570 1.00 5.01 C ATOM 1595 CE LYS A 100 -10.426 -18.228 -11.838 1.00 5.79 C ATOM 1596 NZ LYS A 100 -11.747 -18.201 -12.520 1.00 6.34 N ATOM 0 H LYS A 100 -9.443 -12.091 -12.873 1.00 2.17 H new ATOM 0 HA LYS A 100 -7.922 -14.212 -14.246 1.00 2.96 H new ATOM 0 HB2 LYS A 100 -8.327 -14.633 -11.940 1.00 3.58 H new ATOM 0 HB3 LYS A 100 -10.007 -14.151 -12.063 1.00 3.58 H new ATOM 0 HG2 LYS A 100 -10.464 -16.116 -13.514 1.00 4.14 H new ATOM 0 HG3 LYS A 100 -8.784 -16.598 -13.390 1.00 4.14 H new ATOM 0 HD2 LYS A 100 -8.996 -16.888 -10.961 1.00 5.01 H new ATOM 0 HD3 LYS A 100 -10.633 -16.264 -10.995 1.00 5.01 H new ATOM 0 HE2 LYS A 100 -9.711 -18.774 -12.453 1.00 5.79 H new ATOM 0 HE3 LYS A 100 -10.515 -18.769 -10.896 1.00 5.79 H new ATOM 0 HZ1 LYS A 100 -12.196 -19.136 -12.444 1.00 6.34 H new ATOM 0 HZ2 LYS A 100 -12.355 -17.488 -12.070 1.00 6.34 H new ATOM 0 HZ3 LYS A 100 -11.615 -17.960 -13.523 1.00 6.34 H new ATOM 1610 N LYS A 101 -10.986 -13.173 -14.794 1.00 3.82 N ATOM 1611 CA LYS A 101 -12.060 -13.081 -15.775 1.00 4.82 C ATOM 1612 C LYS A 101 -12.924 -14.339 -15.761 1.00 5.79 C ATOM 1613 O LYS A 101 -12.688 -15.244 -16.587 1.00 6.45 O ATOM 1614 CB LYS A 101 -11.491 -12.826 -17.176 1.00 5.01 C ATOM 1615 CG LYS A 101 -10.842 -11.460 -17.314 1.00 4.42 C ATOM 1616 CD LYS A 101 -9.522 -11.519 -18.069 1.00 5.04 C ATOM 1617 CE LYS A 101 -8.469 -12.315 -17.309 1.00 4.78 C ATOM 1618 NZ LYS A 101 -7.154 -12.303 -18.003 1.00 5.64 N ATOM 1619 OXT LYS A 101 -13.832 -14.423 -14.909 1.00 6.10 O ATOM 0 H LYS A 101 -11.087 -12.522 -14.015 1.00 3.82 H new ATOM 0 HA LYS A 101 -12.694 -12.237 -15.504 1.00 4.82 H new ATOM 0 HB2 LYS A 101 -10.756 -13.596 -17.409 1.00 5.01 H new ATOM 0 HB3 LYS A 101 -12.292 -12.917 -17.910 1.00 5.01 H new ATOM 0 HG2 LYS A 101 -11.525 -10.787 -17.833 1.00 4.42 H new ATOM 0 HG3 LYS A 101 -10.672 -11.040 -16.323 1.00 4.42 H new ATOM 0 HD2 LYS A 101 -9.683 -11.971 -19.047 1.00 5.04 H new ATOM 0 HD3 LYS A 101 -9.157 -10.507 -18.242 1.00 5.04 H new ATOM 0 HE2 LYS A 101 -8.354 -11.901 -16.307 1.00 4.78 H new ATOM 0 HE3 LYS A 101 -8.808 -13.344 -17.191 1.00 4.78 H new ATOM 0 HZ1 LYS A 101 -6.466 -12.856 -17.453 1.00 5.64 H new ATOM 0 HZ2 LYS A 101 -7.257 -12.722 -18.949 1.00 5.64 H new ATOM 0 HZ3 LYS A 101 -6.818 -11.323 -18.093 1.00 5.64 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 12.450 0.404 12.243 1.00 3.81 N ATOM 1635 CA MET B 1 12.245 -0.899 12.907 1.00 3.21 C ATOM 1636 C MET B 1 10.761 -1.224 12.932 1.00 2.41 C ATOM 1637 O MET B 1 10.101 -1.121 13.969 1.00 2.60 O ATOM 1638 CB MET B 1 12.813 -0.877 14.329 1.00 3.84 C ATOM 1639 CG MET B 1 12.816 -2.240 15.004 1.00 4.40 C ATOM 1640 SD MET B 1 13.850 -3.439 14.141 1.00 5.09 S ATOM 1641 CE MET B 1 13.637 -4.881 15.184 1.00 5.69 C ATOM 0 H1 MET B 1 13.378 0.412 11.774 1.00 3.81 H new ATOM 0 H2 MET B 1 11.703 0.554 11.535 1.00 3.81 H new ATOM 0 H3 MET B 1 12.413 1.164 12.952 1.00 3.81 H new ATOM 0 HA MET B 1 12.773 -1.671 12.347 1.00 3.21 H new ATOM 0 HB2 MET B 1 13.833 -0.494 14.298 1.00 3.84 H new ATOM 0 HB3 MET B 1 12.230 -0.183 14.934 1.00 3.84 H new ATOM 0 HG2 MET B 1 13.169 -2.133 16.030 1.00 4.40 H new ATOM 0 HG3 MET B 1 11.795 -2.618 15.057 1.00 4.40 H new ATOM 0 HE1 MET B 1 14.217 -5.711 14.780 1.00 5.69 H new ATOM 0 HE2 MET B 1 13.981 -4.654 16.193 1.00 5.69 H new ATOM 0 HE3 MET B 1 12.583 -5.156 15.214 1.00 5.69 H new ATOM 1653 N ALA B 2 10.235 -1.603 11.779 1.00 1.66 N ATOM 1654 CA ALA B 2 8.830 -1.894 11.654 1.00 0.98 C ATOM 1655 C ALA B 2 8.541 -3.302 12.119 1.00 0.81 C ATOM 1656 O ALA B 2 8.500 -4.256 11.351 1.00 0.91 O ATOM 1657 CB ALA B 2 8.311 -1.664 10.255 1.00 0.82 C ATOM 0 H ALA B 2 10.769 -1.715 10.917 1.00 1.66 H new ATOM 0 HA ALA B 2 8.297 -1.195 12.298 1.00 0.98 H new ATOM 0 HB1 ALA B 2 7.247 -1.899 10.218 1.00 0.82 H new ATOM 0 HB2 ALA B 2 8.462 -0.621 9.978 1.00 0.82 H new ATOM 0 HB3 ALA B 2 8.849 -2.306 9.557 1.00 0.82 H new ATOM 1663 N SER B 3 8.463 -3.398 13.413 1.00 0.80 N ATOM 1664 CA SER B 3 7.842 -4.489 14.138 1.00 0.78 C ATOM 1665 C SER B 3 6.413 -4.740 13.576 1.00 0.65 C ATOM 1666 O SER B 3 6.165 -4.423 12.417 1.00 0.83 O ATOM 1667 CB SER B 3 7.866 -4.092 15.616 1.00 0.97 C ATOM 1668 OG SER B 3 9.096 -3.460 15.938 1.00 1.18 O ATOM 0 H SER B 3 8.848 -2.685 14.032 1.00 0.80 H new ATOM 0 HA SER B 3 8.370 -5.436 14.022 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.036 -3.419 15.832 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.730 -4.976 16.239 1.00 0.97 H new ATOM 0 HG SER B 3 9.097 -3.210 16.886 1.00 1.18 H new ATOM 1674 N PRO B 4 5.486 -5.413 14.296 1.00 0.67 N ATOM 1675 CA PRO B 4 4.086 -5.576 13.864 1.00 0.62 C ATOM 1676 C PRO B 4 3.453 -4.442 13.011 1.00 0.47 C ATOM 1677 O PRO B 4 2.377 -4.653 12.485 1.00 0.50 O ATOM 1678 CB PRO B 4 3.368 -5.708 15.196 1.00 0.79 C ATOM 1679 CG PRO B 4 4.299 -6.540 15.999 1.00 0.97 C ATOM 1680 CD PRO B 4 5.690 -6.125 15.584 1.00 0.88 C ATOM 0 HA PRO B 4 4.009 -6.415 13.173 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.195 -4.736 15.659 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.395 -6.186 15.084 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.145 -6.378 17.066 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.136 -7.601 15.811 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.152 -5.477 16.329 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.344 -6.988 15.463 1.00 0.88 H new ATOM 1688 N LEU B 5 4.065 -3.250 12.899 1.00 0.36 N ATOM 1689 CA LEU B 5 3.496 -2.162 12.087 1.00 0.32 C ATOM 1690 C LEU B 5 3.363 -2.541 10.619 1.00 0.30 C ATOM 1691 O LEU B 5 2.295 -2.374 10.040 1.00 0.32 O ATOM 1692 CB LEU B 5 4.319 -0.879 12.194 1.00 0.32 C ATOM 1693 CG LEU B 5 3.946 0.232 11.196 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.893 1.573 11.907 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.944 0.297 10.047 1.00 0.27 C ATOM 0 H LEU B 5 4.946 -3.017 13.357 1.00 0.36 H new ATOM 0 HA LEU B 5 2.501 -1.986 12.494 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.216 -0.485 13.205 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.371 -1.130 12.055 1.00 0.32 H new ATOM 0 HG LEU B 5 2.964 -0.000 10.784 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.628 2.353 11.193 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.144 1.536 12.698 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.868 1.794 12.341 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.655 1.091 9.358 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.939 0.503 10.441 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.953 -0.656 9.519 1.00 0.27 H new ATOM 1707 N GLU B 6 4.434 -3.029 10.001 1.00 0.35 N ATOM 1708 CA GLU B 6 4.343 -3.410 8.599 1.00 0.42 C ATOM 1709 C GLU B 6 3.364 -4.571 8.456 1.00 0.34 C ATOM 1710 O GLU B 6 2.594 -4.686 7.495 1.00 0.32 O ATOM 1711 CB GLU B 6 5.696 -3.783 8.015 1.00 0.62 C ATOM 1712 CG GLU B 6 6.606 -2.594 7.754 1.00 1.80 C ATOM 1713 CD GLU B 6 6.078 -1.639 6.705 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.300 -0.733 7.066 1.00 3.61 O ATOM 1715 OE2 GLU B 6 6.455 -1.783 5.525 1.00 3.32 O ATOM 0 H GLU B 6 5.348 -3.167 10.433 1.00 0.35 H new ATOM 0 HA GLU B 6 3.983 -2.548 8.037 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.198 -4.469 8.697 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.541 -4.321 7.080 1.00 0.62 H new ATOM 0 HG2 GLU B 6 6.753 -2.049 8.687 1.00 1.80 H new ATOM 0 HG3 GLU B 6 7.584 -2.959 7.440 1.00 1.80 H new ATOM 1722 N LYS B 7 3.378 -5.423 9.459 1.00 0.35 N ATOM 1723 CA LYS B 7 2.442 -6.520 9.544 1.00 0.36 C ATOM 1724 C LYS B 7 1.045 -5.998 9.884 1.00 0.32 C ATOM 1725 O LYS B 7 0.053 -6.702 9.745 1.00 0.35 O ATOM 1726 CB LYS B 7 2.935 -7.566 10.544 1.00 0.44 C ATOM 1727 CG LYS B 7 4.301 -8.151 10.176 1.00 0.64 C ATOM 1728 CD LYS B 7 4.219 -9.301 9.163 1.00 0.80 C ATOM 1729 CE LYS B 7 3.537 -8.912 7.854 1.00 1.78 C ATOM 1730 NZ LYS B 7 3.460 -10.049 6.893 1.00 2.82 N ATOM 0 H LYS B 7 4.037 -5.374 10.236 1.00 0.35 H new ATOM 0 HA LYS B 7 2.374 -7.014 8.575 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.995 -7.114 11.534 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.205 -8.373 10.606 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.928 -7.360 9.766 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.791 -8.509 11.082 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.226 -9.657 8.947 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.677 -10.133 9.613 1.00 0.80 H new ATOM 0 HE2 LYS B 7 2.531 -8.550 8.065 1.00 1.78 H new ATOM 0 HE3 LYS B 7 4.082 -8.088 7.394 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.513 -10.077 6.463 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 4.175 -9.923 6.148 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 3.638 -10.942 7.396 1.00 2.82 H new ATOM 1744 N ALA B 8 0.991 -4.767 10.376 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.267 -4.098 10.660 1.00 0.29 C ATOM 1746 C ALA B 8 -0.865 -3.521 9.390 1.00 0.27 C ATOM 1747 O ALA B 8 -2.071 -3.324 9.314 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.101 -3.009 11.706 1.00 0.32 C ATOM 0 H ALA B 8 1.817 -4.207 10.588 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.950 -4.846 11.064 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -1.064 -2.532 11.891 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.271 -3.448 12.632 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.609 -2.265 11.347 1.00 0.32 H new ATOM 1754 N LEU B 9 -0.030 -3.228 8.391 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.569 -2.956 7.056 1.00 0.25 C ATOM 1756 C LEU B 9 -1.237 -4.233 6.563 1.00 0.25 C ATOM 1757 O LEU B 9 -2.242 -4.216 5.861 1.00 0.26 O ATOM 1758 CB LEU B 9 0.492 -2.532 6.032 1.00 0.26 C ATOM 1759 CG LEU B 9 1.817 -2.031 6.588 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.795 -1.794 5.453 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.649 -0.763 7.408 1.00 0.27 C ATOM 0 H LEU B 9 0.985 -3.174 8.473 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.263 -2.120 7.145 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.696 -3.382 5.381 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.067 -1.747 5.407 1.00 0.26 H new ATOM 0 HG LEU B 9 2.208 -2.800 7.255 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.742 -1.435 5.857 1.00 0.33 H new ATOM 0 HD12 LEU B 9 2.961 -2.727 4.915 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.387 -1.049 4.770 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.620 -0.442 7.785 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.225 0.022 6.782 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.981 -0.958 8.247 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.658 -5.356 6.953 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.287 -6.656 6.702 1.00 0.28 C ATOM 1775 C ASP B 10 -2.602 -6.747 7.490 1.00 0.27 C ATOM 1776 O ASP B 10 -3.607 -7.295 7.022 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.338 -7.791 7.095 1.00 0.33 C ATOM 1778 CG ASP B 10 -0.839 -9.161 6.685 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.627 -9.766 7.441 1.00 1.15 O ATOM 1780 OD2 ASP B 10 -0.416 -9.651 5.619 1.00 1.18 O ATOM 0 H ASP B 10 0.237 -5.402 7.440 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.505 -6.753 5.638 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.636 -7.616 6.637 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.190 -7.774 8.175 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.596 -6.165 8.685 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.801 -6.059 9.490 1.00 0.27 C ATOM 1787 C VAL B 11 -4.805 -5.122 8.815 1.00 0.27 C ATOM 1788 O VAL B 11 -5.998 -5.203 9.062 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.480 -5.569 10.922 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.749 -5.319 11.718 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.603 -6.579 11.643 1.00 0.31 C ATOM 0 H VAL B 11 -1.765 -5.759 9.116 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.243 -7.052 9.571 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.942 -4.625 10.838 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.489 -4.976 12.719 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.348 -4.558 11.218 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.322 -6.243 11.789 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.386 -6.220 12.649 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.123 -7.535 11.703 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.670 -6.708 11.095 1.00 0.31 H new ATOM 1801 N MET B 12 -4.311 -4.238 7.955 1.00 0.26 N ATOM 1802 CA MET B 12 -5.179 -3.402 7.129 1.00 0.29 C ATOM 1803 C MET B 12 -5.963 -4.264 6.142 1.00 0.29 C ATOM 1804 O MET B 12 -7.124 -3.983 5.838 1.00 0.33 O ATOM 1805 CB MET B 12 -4.368 -2.323 6.395 1.00 0.32 C ATOM 1806 CG MET B 12 -4.830 -2.054 4.970 1.00 0.98 C ATOM 1807 SD MET B 12 -4.121 -3.208 3.767 1.00 2.23 S ATOM 1808 CE MET B 12 -5.106 -2.866 2.314 1.00 2.75 C ATOM 0 H MET B 12 -3.314 -4.081 7.811 1.00 0.26 H new ATOM 0 HA MET B 12 -5.890 -2.895 7.781 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.422 -1.395 6.964 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.320 -2.623 6.374 1.00 0.32 H new ATOM 0 HG2 MET B 12 -5.917 -2.117 4.928 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.559 -1.036 4.692 1.00 0.98 H new ATOM 0 HE1 MET B 12 -4.478 -2.931 1.425 1.00 2.75 H new ATOM 0 HE2 MET B 12 -5.913 -3.595 2.242 1.00 2.75 H new ATOM 0 HE3 MET B 12 -5.528 -1.864 2.388 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.328 -5.318 5.638 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.038 -6.306 4.833 1.00 0.31 C ATOM 1820 C VAL B 13 -7.203 -6.869 5.648 1.00 0.27 C ATOM 1821 O VAL B 13 -8.305 -7.098 5.131 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.106 -7.455 4.371 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.872 -8.491 3.559 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.941 -6.909 3.557 1.00 0.42 C ATOM 0 H VAL B 13 -4.335 -5.509 5.771 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.410 -5.813 3.935 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.713 -7.942 5.264 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.193 -9.285 3.249 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.670 -8.914 4.169 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.303 -8.016 2.677 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.299 -7.732 3.243 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.323 -6.391 2.678 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.365 -6.213 4.167 1.00 0.42 H new ATOM 1834 N SER B 14 -6.960 -7.057 6.941 1.00 0.26 N ATOM 1835 CA SER B 14 -8.012 -7.475 7.861 1.00 0.26 C ATOM 1836 C SER B 14 -9.035 -6.361 8.082 1.00 0.25 C ATOM 1837 O SER B 14 -10.238 -6.626 8.131 1.00 0.25 O ATOM 1838 CB SER B 14 -7.406 -7.930 9.188 1.00 0.31 C ATOM 1839 OG SER B 14 -6.412 -8.918 8.973 1.00 1.18 O ATOM 0 H SER B 14 -6.046 -6.927 7.375 1.00 0.26 H new ATOM 0 HA SER B 14 -8.538 -8.317 7.412 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.970 -7.076 9.706 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.189 -8.329 9.833 1.00 0.31 H new ATOM 0 HG SER B 14 -6.035 -9.195 9.834 1.00 1.18 H new ATOM 1845 N THR B 15 -8.549 -5.128 8.209 1.00 0.28 N ATOM 1846 CA THR B 15 -9.396 -3.942 8.243 1.00 0.32 C ATOM 1847 C THR B 15 -10.441 -4.020 7.134 1.00 0.28 C ATOM 1848 O THR B 15 -11.647 -3.850 7.363 1.00 0.29 O ATOM 1849 CB THR B 15 -8.534 -2.673 8.046 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.718 -2.444 9.204 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.387 -1.449 7.762 1.00 0.93 C ATOM 0 H THR B 15 -7.553 -4.925 8.291 1.00 0.28 H new ATOM 0 HA THR B 15 -9.896 -3.893 9.210 1.00 0.32 H new ATOM 0 HB THR B 15 -7.895 -2.841 7.179 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.175 -1.639 9.068 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.743 -0.579 7.630 1.00 0.93 H new ATOM 0 HG22 THR B 15 -9.967 -1.612 6.854 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.064 -1.275 8.598 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.959 -4.332 5.938 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.803 -4.390 4.768 1.00 0.27 C ATOM 1861 C PHE B 16 -11.932 -5.398 4.915 1.00 0.29 C ATOM 1862 O PHE B 16 -13.095 -5.014 4.905 1.00 0.37 O ATOM 1863 CB PHE B 16 -9.986 -4.705 3.521 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.824 -4.735 2.278 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.021 -3.588 1.538 1.00 1.65 C ATOM 1866 CD2 PHE B 16 -11.432 -5.905 1.865 1.00 1.73 C ATOM 1867 CE1 PHE B 16 -11.810 -3.607 0.410 1.00 2.27 C ATOM 1868 CE2 PHE B 16 -12.219 -5.931 0.736 1.00 2.34 C ATOM 1869 CZ PHE B 16 -12.409 -4.780 0.010 1.00 2.36 C ATOM 0 H PHE B 16 -8.978 -4.549 5.760 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.253 -3.403 4.663 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.200 -3.958 3.407 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.494 -5.669 3.647 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -10.552 -2.666 1.847 1.00 1.65 H new ATOM 0 HD2 PHE B 16 -11.288 -6.811 2.435 1.00 1.73 H new ATOM 0 HE1 PHE B 16 -11.959 -2.702 -0.161 1.00 2.27 H new ATOM 0 HE2 PHE B 16 -12.686 -6.853 0.422 1.00 2.34 H new ATOM 0 HZ PHE B 16 -13.028 -4.796 -0.875 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.600 -6.678 5.075 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.635 -7.718 5.077 1.00 0.40 C ATOM 1881 C HIS B 17 -13.566 -7.572 6.273 1.00 0.36 C ATOM 1882 O HIS B 17 -14.664 -8.130 6.293 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.028 -9.128 5.028 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.254 -9.547 6.242 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -11.843 -9.896 7.440 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -9.925 -9.708 6.421 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -10.907 -10.250 8.299 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -9.734 -10.148 7.706 1.00 2.20 N ATOM 0 H HIS B 17 -10.647 -7.018 5.202 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.225 -7.581 4.170 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -12.834 -9.845 4.869 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.370 -9.190 4.161 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -9.154 -9.524 5.687 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.073 -10.570 9.317 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -8.832 -10.361 8.133 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.119 -6.813 7.256 1.00 0.34 N ATOM 1898 CA LYS B 18 -13.915 -6.524 8.430 1.00 0.39 C ATOM 1899 C LYS B 18 -15.077 -5.601 8.065 1.00 0.37 C ATOM 1900 O LYS B 18 -16.176 -5.713 8.612 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.017 -5.896 9.494 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.731 -5.548 10.788 1.00 0.54 C ATOM 1903 CD LYS B 18 -12.752 -5.428 11.947 1.00 0.73 C ATOM 1904 CE LYS B 18 -11.661 -4.409 11.663 1.00 0.79 C ATOM 1905 NZ LYS B 18 -10.667 -4.338 12.765 1.00 1.28 N ATOM 0 H LYS B 18 -12.195 -6.381 7.262 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.341 -7.445 8.829 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.201 -6.584 9.716 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.568 -4.991 9.086 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.270 -4.609 10.667 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.472 -6.314 11.014 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.291 -5.141 12.850 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.299 -6.400 12.142 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.154 -4.669 10.734 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.111 -3.427 11.516 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -9.940 -3.632 12.532 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -11.145 -4.065 13.647 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.219 -5.268 12.888 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.824 -4.698 7.129 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.856 -3.790 6.634 1.00 0.29 C ATOM 1921 C TYR B 19 -16.558 -4.332 5.397 1.00 0.33 C ATOM 1922 O TYR B 19 -17.761 -4.185 5.281 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.266 -2.422 6.340 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.005 -1.614 7.589 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -13.997 -1.961 8.476 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -15.790 -0.514 7.890 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -13.780 -1.227 9.623 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -15.581 0.224 9.033 1.00 1.26 C ATOM 1929 CZ TYR B 19 -14.578 -0.137 9.897 1.00 0.62 C ATOM 1930 OH TYR B 19 -14.361 0.604 11.031 1.00 0.79 O ATOM 0 H TYR B 19 -13.910 -4.572 6.694 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.604 -3.699 7.422 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.332 -2.545 5.791 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -15.947 -1.870 5.692 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.374 -2.818 8.266 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -16.583 -0.229 7.214 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -12.989 -1.505 10.303 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -16.202 1.081 9.248 1.00 1.26 H new ATOM 0 HH TYR B 19 -13.733 1.330 10.832 1.00 0.79 H new ATOM 1940 N SER B 20 -15.821 -4.956 4.484 1.00 0.29 N ATOM 1941 CA SER B 20 -16.411 -5.445 3.239 1.00 0.32 C ATOM 1942 C SER B 20 -17.311 -6.640 3.492 1.00 0.40 C ATOM 1943 O SER B 20 -18.132 -7.006 2.659 1.00 0.60 O ATOM 1944 CB SER B 20 -15.323 -5.823 2.240 1.00 0.35 C ATOM 1945 OG SER B 20 -14.419 -6.760 2.799 1.00 0.86 O ATOM 0 H SER B 20 -14.821 -5.135 4.579 1.00 0.29 H new ATOM 0 HA SER B 20 -17.014 -4.639 2.821 1.00 0.32 H new ATOM 0 HB2 SER B 20 -15.779 -6.243 1.343 1.00 0.35 H new ATOM 0 HB3 SER B 20 -14.781 -4.929 1.933 1.00 0.35 H new ATOM 0 HG SER B 20 -13.540 -6.658 2.378 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.140 -7.262 4.642 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.993 -8.363 5.001 1.00 0.43 C ATOM 1953 C GLY B 21 -19.130 -7.919 5.888 1.00 0.41 C ATOM 1954 O GLY B 21 -19.586 -8.679 6.747 1.00 0.46 O ATOM 0 H GLY B 21 -16.427 -7.024 5.331 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.394 -8.823 4.098 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.407 -9.126 5.514 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.597 -6.688 5.701 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.637 -6.163 6.564 1.00 0.46 C ATOM 1960 C LYS B 22 -21.965 -5.982 5.822 1.00 0.52 C ATOM 1961 O LYS B 22 -23.032 -6.241 6.386 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.186 -4.862 7.213 1.00 0.47 C ATOM 1963 CG LYS B 22 -20.602 -3.666 6.432 1.00 0.60 C ATOM 1964 CD LYS B 22 -20.257 -2.378 7.143 1.00 0.57 C ATOM 1965 CE LYS B 22 -18.985 -1.773 6.606 1.00 0.49 C ATOM 1966 NZ LYS B 22 -18.765 -0.423 7.165 1.00 1.08 N ATOM 0 H LYS B 22 -19.276 -6.050 4.973 1.00 0.41 H new ATOM 0 HA LYS B 22 -20.814 -6.898 7.350 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.600 -4.798 8.219 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -19.101 -4.867 7.315 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -20.116 -3.683 5.456 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -21.677 -3.705 6.254 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -21.076 -1.667 7.028 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -20.148 -2.569 8.211 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.140 -2.415 6.853 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -19.035 -1.717 5.519 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -18.547 0.241 6.394 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -19.624 -0.108 7.660 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -17.969 -0.450 7.834 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.910 -5.561 4.564 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.115 -5.296 3.793 1.00 0.54 C ATOM 1982 C GLU B 23 -22.899 -5.657 2.324 1.00 0.58 C ATOM 1983 O GLU B 23 -21.922 -5.238 1.718 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.477 -3.809 3.911 1.00 0.67 C ATOM 1985 CG GLU B 23 -24.966 -3.528 4.060 1.00 1.15 C ATOM 1986 CD GLU B 23 -25.785 -3.988 2.873 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -25.964 -3.193 1.927 1.00 2.38 O ATOM 1988 OE2 GLU B 23 -26.264 -5.140 2.883 1.00 1.96 O ATOM 0 H GLU B 23 -21.041 -5.396 4.057 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.928 -5.906 4.186 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -22.954 -3.388 4.770 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.109 -3.288 3.027 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.333 -4.022 4.959 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -25.114 -2.457 4.202 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.806 -6.437 1.760 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.741 -6.740 0.342 1.00 0.85 C ATOM 1997 C GLY B 24 -22.708 -7.798 -0.003 1.00 0.79 C ATOM 1998 O GLY B 24 -23.020 -8.992 -0.043 1.00 0.92 O ATOM 0 H GLY B 24 -24.587 -6.867 2.256 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -24.721 -7.077 0.005 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -23.512 -5.827 -0.207 1.00 0.85 H new ATOM 2002 N ASP B 25 -21.477 -7.370 -0.248 1.00 0.71 N ATOM 2003 CA ASP B 25 -20.429 -8.279 -0.696 1.00 0.70 C ATOM 2004 C ASP B 25 -19.596 -8.744 0.495 1.00 0.73 C ATOM 2005 O ASP B 25 -20.084 -8.770 1.624 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.547 -7.589 -1.749 1.00 0.72 C ATOM 2007 CG ASP B 25 -18.841 -8.581 -2.651 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -19.443 -9.009 -3.660 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -17.688 -8.952 -2.349 1.00 1.64 O ATOM 0 H ASP B 25 -21.179 -6.400 -0.144 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.886 -9.155 -1.156 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -20.162 -6.925 -2.356 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.806 -6.967 -1.247 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.366 -9.160 0.234 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.453 -9.588 1.275 1.00 0.56 C ATOM 2016 C LYS B 26 -16.014 -9.258 0.879 1.00 0.49 C ATOM 2017 O LYS B 26 -15.120 -9.161 1.723 1.00 0.55 O ATOM 2018 CB LYS B 26 -17.617 -11.091 1.508 1.00 0.71 C ATOM 2019 CG LYS B 26 -16.505 -11.713 2.325 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.460 -11.165 3.742 1.00 0.70 C ATOM 2021 CE LYS B 26 -15.361 -11.825 4.557 1.00 0.94 C ATOM 2022 NZ LYS B 26 -15.614 -13.278 4.762 1.00 1.56 N ATOM 0 H LYS B 26 -17.976 -9.209 -0.707 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.682 -9.059 2.200 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.567 -11.268 2.012 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -17.670 -11.594 0.543 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -16.642 -12.794 2.359 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -15.549 -11.528 1.835 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.296 -10.088 3.712 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.422 -11.327 4.227 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -14.405 -11.691 4.051 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -15.281 -11.331 5.525 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -14.972 -13.642 5.495 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -16.599 -13.420 5.063 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -15.447 -13.788 3.871 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.807 -9.052 -0.409 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.477 -8.847 -0.948 1.00 0.43 C ATOM 2038 C PHE B 27 -14.377 -7.460 -1.550 1.00 0.39 C ATOM 2039 O PHE B 27 -13.376 -7.109 -2.175 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.168 -9.893 -2.023 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.404 -11.314 -1.593 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -15.643 -11.910 -1.777 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -13.388 -12.055 -1.011 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -15.863 -13.215 -1.388 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -13.604 -13.361 -0.620 1.00 1.59 C ATOM 2046 CZ PHE B 27 -14.843 -13.941 -0.809 1.00 1.65 C ATOM 0 H PHE B 27 -16.551 -9.022 -1.106 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.754 -8.948 -0.139 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.780 -9.686 -2.901 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.127 -9.787 -2.328 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -16.445 -11.346 -2.230 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -12.417 -11.606 -0.862 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -16.832 -13.668 -1.537 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -12.805 -13.929 -0.167 1.00 1.59 H new ATOM 0 HZ PHE B 27 -15.013 -14.963 -0.504 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.426 -6.676 -1.351 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.525 -5.349 -1.926 1.00 0.36 C ATOM 2058 C LYS B 28 -16.274 -4.440 -0.983 1.00 0.34 C ATOM 2059 O LYS B 28 -17.180 -4.886 -0.294 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.277 -5.372 -3.252 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.697 -6.282 -4.311 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.366 -6.018 -5.644 1.00 0.56 C ATOM 2063 CE LYS B 28 -15.864 -6.950 -6.728 1.00 0.86 C ATOM 2064 NZ LYS B 28 -16.328 -6.525 -8.074 1.00 1.70 N ATOM 0 H LYS B 28 -16.231 -6.945 -0.786 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.510 -4.988 -2.093 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.307 -5.675 -3.061 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.311 -4.357 -3.648 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.623 -6.117 -4.395 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.838 -7.324 -4.024 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.444 -6.134 -5.537 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.185 -4.985 -5.942 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -14.774 -6.976 -6.710 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -16.211 -7.963 -6.526 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -15.994 -7.205 -8.787 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -17.367 -6.491 -8.088 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -15.948 -5.581 -8.290 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.901 -3.174 -0.965 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.591 -2.199 -0.179 1.00 0.28 C ATOM 2080 C LEU B 29 -17.524 -1.422 -1.069 1.00 0.30 C ATOM 2081 O LEU B 29 -17.088 -0.600 -1.879 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.588 -1.242 0.445 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.602 -1.870 1.409 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.406 -0.961 1.567 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.266 -2.115 2.751 1.00 0.25 C ATOM 0 H LEU B 29 -15.113 -2.805 -1.497 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.155 -2.699 0.609 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.029 -0.756 -0.355 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.136 -0.460 0.971 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.269 -2.829 1.013 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.696 -1.411 2.260 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.927 -0.818 0.598 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.731 0.004 1.957 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.548 -2.567 3.435 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.614 -1.168 3.163 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.114 -2.787 2.620 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.800 -1.678 -0.921 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.804 -0.874 -1.575 1.00 0.35 C ATOM 2099 C ASN B 30 -19.803 0.478 -0.909 1.00 0.32 C ATOM 2100 O ASN B 30 -19.164 0.639 0.129 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.170 -1.558 -1.501 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.444 -2.156 -0.139 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -22.119 -1.550 0.696 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -20.876 -3.329 0.111 1.00 0.42 N ATOM 0 H ASN B 30 -19.170 -2.439 -0.352 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.583 -0.753 -2.636 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.949 -0.834 -1.740 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.222 -2.342 -2.256 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -20.990 -3.766 1.026 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -20.326 -3.794 -0.611 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.474 1.454 -1.488 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.338 2.817 -1.005 1.00 0.34 C ATOM 2113 C LYS B 31 -20.636 2.916 0.485 1.00 0.31 C ATOM 2114 O LYS B 31 -19.971 3.654 1.204 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.246 3.772 -1.747 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.941 3.927 -3.220 1.00 0.68 C ATOM 2117 CD LYS B 31 -21.677 5.130 -3.756 1.00 0.71 C ATOM 2118 CE LYS B 31 -20.937 6.427 -3.490 1.00 1.15 C ATOM 2119 NZ LYS B 31 -21.697 7.594 -4.007 1.00 1.99 N ATOM 0 H LYS B 31 -21.108 1.335 -2.278 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.301 3.099 -1.186 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.275 3.430 -1.638 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.184 4.752 -1.273 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -19.868 4.046 -3.371 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.242 3.031 -3.762 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -21.825 5.013 -4.830 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.666 5.180 -3.301 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -20.773 6.542 -2.419 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -19.955 6.392 -3.961 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -21.176 8.469 -3.796 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -21.817 7.502 -5.036 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -22.631 7.629 -3.551 1.00 1.99 H new ATOM 2133 N SER B 32 -21.622 2.164 0.941 1.00 0.34 N ATOM 2134 CA SER B 32 -21.970 2.145 2.351 1.00 0.37 C ATOM 2135 C SER B 32 -20.775 1.674 3.177 1.00 0.34 C ATOM 2136 O SER B 32 -20.400 2.293 4.180 1.00 0.37 O ATOM 2137 CB SER B 32 -23.171 1.226 2.566 1.00 0.45 C ATOM 2138 OG SER B 32 -24.257 1.614 1.740 1.00 1.33 O ATOM 0 H SER B 32 -22.196 1.558 0.355 1.00 0.34 H new ATOM 0 HA SER B 32 -22.235 3.151 2.675 1.00 0.37 H new ATOM 0 HB2 SER B 32 -22.890 0.196 2.345 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.475 1.256 3.612 1.00 0.45 H new ATOM 0 HG SER B 32 -25.015 1.012 1.892 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.152 0.598 2.719 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.022 0.023 3.412 1.00 0.34 C ATOM 2146 C GLU B 33 -17.783 0.901 3.303 1.00 0.30 C ATOM 2147 O GLU B 33 -17.146 1.179 4.324 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.719 -1.368 2.883 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.841 -2.359 3.099 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.417 -3.763 2.756 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -18.747 -3.932 1.727 1.00 2.32 O ATOM 2152 OE2 GLU B 33 -19.741 -4.691 3.522 1.00 2.15 O ATOM 0 H GLU B 33 -20.416 0.107 1.865 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.293 -0.046 4.466 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.504 -1.303 1.816 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.817 -1.743 3.367 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.166 -2.321 4.139 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.698 -2.078 2.487 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.428 1.350 2.088 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.220 2.150 1.950 1.00 0.33 C ATOM 2161 C LEU B 34 -16.382 3.527 2.597 1.00 0.29 C ATOM 2162 O LEU B 34 -15.398 4.115 3.009 1.00 0.30 O ATOM 2163 CB LEU B 34 -15.641 2.246 0.508 1.00 0.50 C ATOM 2164 CG LEU B 34 -16.559 2.680 -0.638 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -17.270 3.935 -0.264 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -15.755 2.921 -1.914 1.00 0.54 C ATOM 0 H LEU B 34 -17.942 1.177 1.224 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.460 1.595 2.500 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -14.802 2.941 0.537 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -15.236 1.267 0.251 1.00 0.50 H new ATOM 0 HG LEU B 34 -17.280 1.883 -0.820 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -17.922 4.241 -1.082 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -17.867 3.762 0.631 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -16.541 4.721 -0.068 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -16.427 3.228 -2.715 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -15.019 3.705 -1.737 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -15.245 2.002 -2.201 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.612 4.047 2.686 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.844 5.256 3.475 1.00 0.29 C ATOM 2180 C LYS B 35 -17.382 5.068 4.909 1.00 0.29 C ATOM 2181 O LYS B 35 -16.500 5.780 5.387 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.317 5.637 3.498 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.764 6.507 2.339 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.221 6.904 2.488 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.555 8.131 1.657 1.00 0.70 C ATOM 2186 NZ LYS B 35 -22.975 8.545 1.823 1.00 1.29 N ATOM 0 H LYS B 35 -18.440 3.660 2.234 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.271 6.051 2.998 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.914 4.725 3.502 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.529 6.160 4.430 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.143 7.401 2.290 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.624 5.970 1.401 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.858 6.073 2.183 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.438 7.104 3.537 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -20.901 8.954 1.946 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.359 7.922 0.605 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.162 9.385 1.240 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -23.600 7.770 1.524 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.157 8.770 2.822 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.973 4.095 5.591 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.667 3.861 6.996 1.00 0.32 C ATOM 2202 C GLU B 36 -16.218 3.495 7.177 1.00 0.31 C ATOM 2203 O GLU B 36 -15.563 3.981 8.086 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.537 2.760 7.560 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.999 3.005 7.318 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.870 1.933 7.925 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.070 0.893 7.268 1.00 1.31 O ATOM 2208 OE2 GLU B 36 -21.345 2.117 9.067 1.00 1.14 O ATOM 0 H GLU B 36 -18.664 3.458 5.196 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.869 4.787 7.534 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.252 1.809 7.111 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.359 2.673 8.632 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.276 3.973 7.734 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.184 3.055 6.245 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.724 2.628 6.318 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.328 2.272 6.352 1.00 0.26 C ATOM 2217 C LEU B 37 -13.460 3.515 6.179 1.00 0.27 C ATOM 2218 O LEU B 37 -12.628 3.797 7.012 1.00 0.31 O ATOM 2219 CB LEU B 37 -14.025 1.225 5.281 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.605 0.669 5.305 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.576 -0.760 4.806 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.686 1.540 4.472 1.00 0.50 C ATOM 0 H LEU B 37 -16.268 2.161 5.593 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.094 1.836 7.323 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.725 0.397 5.395 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.210 1.666 4.301 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.253 0.674 6.337 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.553 -1.134 4.833 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.206 -1.381 5.443 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.949 -0.796 3.782 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.676 1.132 4.498 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -12.042 1.563 3.442 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.679 2.552 4.876 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.674 4.279 5.123 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.846 5.455 4.879 1.00 0.29 C ATOM 2236 C LEU B 38 -12.898 6.441 6.044 1.00 0.30 C ATOM 2237 O LEU B 38 -11.868 6.912 6.510 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.269 6.145 3.589 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.414 5.816 2.369 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.009 6.353 2.564 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.383 4.317 2.110 1.00 0.43 C ATOM 0 H LEU B 38 -14.402 4.114 4.428 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.816 5.112 4.782 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.303 5.875 3.373 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.248 7.223 3.748 1.00 0.31 H new ATOM 0 HG LEU B 38 -12.859 6.294 1.496 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.404 6.115 1.689 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.048 7.434 2.695 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.564 5.896 3.448 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -11.766 4.112 1.235 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -11.964 3.807 2.977 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.397 3.957 1.932 1.00 0.43 H new ATOM 2253 N THR B 39 -14.098 6.752 6.501 1.00 0.31 N ATOM 2254 CA THR B 39 -14.283 7.657 7.633 1.00 0.33 C ATOM 2255 C THR B 39 -13.631 7.130 8.923 1.00 0.34 C ATOM 2256 O THR B 39 -13.082 7.899 9.715 1.00 0.38 O ATOM 2257 CB THR B 39 -15.784 7.896 7.894 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.441 6.653 8.173 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.455 8.541 6.692 1.00 0.34 C ATOM 0 H THR B 39 -14.967 6.391 6.106 1.00 0.31 H new ATOM 0 HA THR B 39 -13.793 8.592 7.363 1.00 0.33 H new ATOM 0 HB THR B 39 -15.866 8.565 8.750 1.00 0.33 H new ATOM 0 HG1 THR B 39 -15.865 5.910 7.897 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.512 8.697 6.906 1.00 0.34 H new ATOM 0 HG22 THR B 39 -15.982 9.500 6.482 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.353 7.889 5.825 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.700 5.822 9.126 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.274 5.199 10.384 1.00 0.36 C ATOM 2269 C ARG B 40 -11.852 4.656 10.346 1.00 0.40 C ATOM 2270 O ARG B 40 -11.182 4.611 11.378 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.284 4.114 10.753 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.536 4.687 11.392 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.668 3.679 11.433 1.00 0.56 C ATOM 2274 NE ARG B 40 -17.925 4.308 11.837 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.130 3.881 11.462 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.256 2.757 10.769 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.212 4.568 11.805 1.00 2.31 N ATOM 0 H ARG B 40 -14.050 5.161 8.432 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.253 5.970 11.154 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.558 3.556 9.858 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.819 3.406 11.440 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.307 5.016 12.406 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -15.856 5.568 10.836 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.787 3.222 10.451 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.419 2.878 12.129 1.00 0.56 H new ATOM 0 HE ARG B 40 -17.876 5.126 12.445 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.428 2.215 10.521 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -20.181 2.434 10.484 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.121 5.422 12.355 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.135 4.242 11.518 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.385 4.254 9.182 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.036 3.738 9.057 1.00 0.46 C ATOM 2293 C GLU B 41 -9.096 4.846 8.591 1.00 0.54 C ATOM 2294 O GLU B 41 -7.929 4.884 8.958 1.00 0.85 O ATOM 2295 CB GLU B 41 -9.990 2.566 8.063 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.147 1.569 8.169 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.416 1.049 9.566 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -12.142 1.709 10.328 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -10.924 -0.041 9.917 1.00 1.30 O ATOM 0 H GLU B 41 -11.916 4.274 8.312 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.715 3.377 10.034 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -9.973 2.971 7.051 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.054 2.027 8.206 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.053 2.045 7.794 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -10.938 0.722 7.516 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.616 5.785 7.816 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.795 6.881 7.323 1.00 0.41 C ATOM 2308 C LEU B 42 -9.404 8.250 7.635 1.00 0.37 C ATOM 2309 O LEU B 42 -9.687 9.032 6.722 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.575 6.722 5.818 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.656 5.566 5.428 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -7.791 5.248 3.955 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.213 5.905 5.762 1.00 0.74 C ATOM 0 H LEU B 42 -10.591 5.812 7.517 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.837 6.837 7.840 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.542 6.579 5.336 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.158 7.649 5.425 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.952 4.685 5.998 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.128 4.422 3.699 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -8.821 4.967 3.736 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -7.521 6.125 3.367 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.569 5.073 5.479 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -5.913 6.798 5.214 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.121 6.088 6.833 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.589 8.570 8.937 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.106 9.869 9.382 1.00 0.43 C ATOM 2327 C PRO B 43 -9.372 11.042 8.760 1.00 0.45 C ATOM 2328 O PRO B 43 -9.955 12.085 8.503 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.838 9.862 10.879 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.878 8.430 11.263 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.339 7.672 10.085 1.00 0.44 C ATOM 0 HA PRO B 43 -11.152 9.990 9.102 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.870 10.307 11.110 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.590 10.438 11.418 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.276 8.248 12.153 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -10.896 8.117 11.496 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.276 7.458 10.200 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.845 6.715 9.961 1.00 0.44 H new ATOM 2339 N SER B 44 -8.082 10.864 8.548 1.00 0.45 N ATOM 2340 CA SER B 44 -7.247 11.907 7.989 1.00 0.47 C ATOM 2341 C SER B 44 -7.514 12.085 6.497 1.00 0.44 C ATOM 2342 O SER B 44 -7.788 13.201 6.031 1.00 0.45 O ATOM 2343 CB SER B 44 -5.788 11.556 8.227 1.00 0.51 C ATOM 2344 OG SER B 44 -4.910 12.492 7.636 1.00 0.59 O ATOM 0 H SER B 44 -7.587 9.997 8.757 1.00 0.45 H new ATOM 0 HA SER B 44 -7.483 12.851 8.481 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.598 11.509 9.299 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.584 10.564 7.823 1.00 0.51 H new ATOM 0 HG SER B 44 -5.425 13.128 7.096 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.476 10.968 5.764 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.555 10.999 4.306 1.00 0.41 C ATOM 2352 C PHE B 45 -8.771 11.783 3.852 1.00 0.41 C ATOM 2353 O PHE B 45 -8.657 12.768 3.119 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.599 9.590 3.712 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.498 9.600 2.213 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.275 9.794 1.592 1.00 1.83 C ATOM 2357 CD2 PHE B 45 -8.624 9.434 1.425 1.00 1.81 C ATOM 2358 CE1 PHE B 45 -6.178 9.823 0.215 1.00 2.38 C ATOM 2359 CE2 PHE B 45 -8.533 9.460 0.047 1.00 2.37 C ATOM 2360 CZ PHE B 45 -7.309 9.655 -0.559 1.00 2.40 C ATOM 0 H PHE B 45 -7.391 10.032 6.160 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.653 11.493 3.945 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.782 8.998 4.125 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.528 9.102 4.008 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.387 9.924 2.192 1.00 1.83 H new ATOM 0 HD2 PHE B 45 -9.585 9.282 1.893 1.00 1.81 H new ATOM 0 HE1 PHE B 45 -5.218 9.977 -0.256 1.00 2.38 H new ATOM 0 HE2 PHE B 45 -9.419 9.328 -0.556 1.00 2.37 H new ATOM 0 HZ PHE B 45 -7.236 9.676 -1.636 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.933 11.349 4.302 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.164 12.028 3.950 1.00 0.57 C ATOM 2372 C LEU B 46 -11.541 13.076 4.976 1.00 0.65 C ATOM 2373 O LEU B 46 -12.519 13.790 4.802 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.300 11.042 3.749 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.183 10.183 2.496 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.441 9.371 2.320 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.921 11.047 1.264 1.00 0.54 C ATOM 0 H LEU B 46 -10.050 10.536 4.907 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.986 12.540 3.004 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.353 10.387 4.619 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.239 11.594 3.708 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.336 9.507 2.612 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.355 8.757 1.423 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.583 8.727 3.188 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.295 10.041 2.221 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.842 10.410 0.383 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.744 11.750 1.131 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.991 11.599 1.398 1.00 0.54 H new ATOM 2389 N GLY B 47 -10.768 13.177 6.047 1.00 0.74 N ATOM 2390 CA GLY B 47 -10.961 14.269 6.981 1.00 0.90 C ATOM 2391 C GLY B 47 -10.804 15.592 6.279 1.00 0.89 C ATOM 2392 O GLY B 47 -11.399 16.598 6.663 1.00 0.99 O ATOM 0 H GLY B 47 -10.017 12.529 6.286 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -11.953 14.203 7.428 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.239 14.193 7.794 1.00 0.90 H new ATOM 2396 N LYS B 48 -9.989 15.576 5.237 1.00 0.79 N ATOM 2397 CA LYS B 48 -9.862 16.719 4.351 1.00 0.82 C ATOM 2398 C LYS B 48 -11.099 16.904 3.474 1.00 0.78 C ATOM 2399 O LYS B 48 -11.462 18.032 3.140 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.653 16.559 3.441 1.00 0.81 C ATOM 2401 CG LYS B 48 -7.353 17.100 4.010 1.00 1.08 C ATOM 2402 CD LYS B 48 -6.901 16.333 5.237 1.00 1.51 C ATOM 2403 CE LYS B 48 -5.613 16.911 5.789 1.00 2.27 C ATOM 2404 NZ LYS B 48 -4.476 16.746 4.845 1.00 3.17 N ATOM 0 H LYS B 48 -9.404 14.780 4.984 1.00 0.79 H new ATOM 0 HA LYS B 48 -9.745 17.595 4.989 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.522 15.500 3.216 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -8.857 17.063 2.496 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -6.576 17.051 3.247 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -7.481 18.151 4.268 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -7.678 16.369 6.001 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -6.754 15.284 4.982 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -5.754 17.970 6.004 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -5.373 16.423 6.734 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -3.584 16.965 5.334 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -4.450 15.765 4.501 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -4.597 17.392 4.039 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.752 15.806 3.103 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.821 15.873 2.118 1.00 0.81 C ATOM 2420 C ARG B 49 -13.782 14.690 2.242 1.00 0.74 C ATOM 2421 O ARG B 49 -13.620 13.666 1.584 1.00 1.00 O ATOM 2422 CB ARG B 49 -12.215 15.945 0.710 1.00 0.95 C ATOM 2423 CG ARG B 49 -13.122 16.591 -0.325 1.00 1.17 C ATOM 2424 CD ARG B 49 -14.210 15.647 -0.796 1.00 1.01 C ATOM 2425 NE ARG B 49 -15.193 16.321 -1.634 1.00 1.61 N ATOM 2426 CZ ARG B 49 -15.272 16.178 -2.956 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -14.430 15.375 -3.601 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -16.199 16.843 -3.635 1.00 2.50 N ATOM 0 H ARG B 49 -11.561 14.872 3.465 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.405 16.774 2.304 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -11.280 16.503 0.757 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.967 14.936 0.381 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -13.577 17.485 0.100 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -12.526 16.912 -1.179 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.761 14.825 -1.354 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -14.710 15.210 0.068 1.00 1.01 H new ATOM 0 HE ARG B 49 -15.863 16.942 -1.180 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -13.716 14.862 -3.083 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -14.498 15.272 -4.613 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -16.846 17.460 -3.144 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -16.264 16.737 -4.647 1.00 2.50 H new ATOM 2442 N THR B 50 -14.776 14.844 3.097 1.00 0.75 N ATOM 2443 CA THR B 50 -15.836 13.845 3.240 1.00 0.72 C ATOM 2444 C THR B 50 -17.139 14.315 2.594 1.00 0.82 C ATOM 2445 O THR B 50 -17.921 15.037 3.213 1.00 1.33 O ATOM 2446 CB THR B 50 -16.120 13.513 4.717 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.056 14.709 5.507 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.147 12.478 5.253 1.00 0.63 C ATOM 0 H THR B 50 -14.878 15.654 3.709 1.00 0.75 H new ATOM 0 HA THR B 50 -15.475 12.950 2.733 1.00 0.72 H new ATOM 0 HB THR B 50 -17.122 13.090 4.781 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.633 15.395 5.110 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.378 12.268 6.298 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.235 11.561 4.671 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.129 12.861 5.176 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.370 13.905 1.356 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.611 14.237 0.657 1.00 0.61 C ATOM 2458 C ASP B 51 -19.111 13.030 -0.117 1.00 0.58 C ATOM 2459 O ASP B 51 -18.355 12.081 -0.324 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.413 15.404 -0.322 1.00 0.68 C ATOM 2461 CG ASP B 51 -18.121 16.727 0.357 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -18.987 17.226 1.101 1.00 1.77 O ATOM 2463 OD2 ASP B 51 -17.027 17.287 0.131 1.00 2.01 O ATOM 0 H ASP B 51 -16.717 13.342 0.811 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.341 14.532 1.411 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.592 15.164 -0.998 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -19.309 15.510 -0.933 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.365 13.061 -0.557 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.885 12.003 -1.422 1.00 0.71 C ATOM 2470 C GLU B 52 -20.011 11.883 -2.650 1.00 0.66 C ATOM 2471 O GLU B 52 -19.607 10.790 -3.045 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.315 12.299 -1.860 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.316 12.237 -0.726 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.721 12.581 -1.168 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.073 13.779 -1.175 1.00 1.90 O ATOM 2476 OE2 GLU B 52 -25.482 11.659 -1.509 1.00 1.82 O ATOM 0 H GLU B 52 -21.035 13.797 -0.333 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.880 11.071 -0.857 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.351 13.290 -2.313 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.606 11.586 -2.631 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.310 11.236 -0.296 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -23.009 12.924 0.062 1.00 0.95 H new ATOM 2483 N ALA B 53 -19.711 13.039 -3.225 1.00 0.71 N ATOM 2484 CA ALA B 53 -18.835 13.131 -4.381 1.00 0.76 C ATOM 2485 C ALA B 53 -17.485 12.486 -4.095 1.00 0.66 C ATOM 2486 O ALA B 53 -16.888 11.865 -4.968 1.00 0.68 O ATOM 2487 CB ALA B 53 -18.650 14.587 -4.777 1.00 0.91 C ATOM 0 H ALA B 53 -20.069 13.938 -2.902 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.298 12.592 -5.208 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -17.992 14.647 -5.644 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -19.618 15.022 -5.025 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -18.207 15.136 -3.946 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.027 12.622 -2.860 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.746 12.070 -2.445 1.00 0.58 C ATOM 2495 C ALA B 54 -15.763 10.554 -2.499 1.00 0.48 C ATOM 2496 O ALA B 54 -14.898 9.946 -3.112 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.388 12.530 -1.044 1.00 0.64 C ATOM 0 H ALA B 54 -17.529 13.115 -2.121 1.00 0.59 H new ATOM 0 HA ALA B 54 -14.990 12.435 -3.140 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.427 12.105 -0.756 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.324 13.618 -1.023 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.156 12.198 -0.345 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.757 9.947 -1.863 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.869 8.493 -1.848 1.00 0.42 C ATOM 2505 C PHE B 55 -17.219 7.964 -3.231 1.00 0.44 C ATOM 2506 O PHE B 55 -16.794 6.880 -3.612 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.923 8.038 -0.845 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.626 8.452 0.568 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.696 7.764 1.329 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -18.283 9.530 1.137 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -16.431 8.144 2.630 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -18.021 9.915 2.437 1.00 2.69 C ATOM 2513 CZ PHE B 55 -17.093 9.220 3.185 1.00 2.95 C ATOM 0 H PHE B 55 -17.494 10.435 -1.353 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.901 8.091 -1.549 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -18.891 8.444 -1.138 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -18.007 6.952 -0.887 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.173 6.922 0.901 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -19.010 10.077 0.556 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -15.705 7.598 3.214 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -18.541 10.758 2.867 1.00 2.69 H new ATOM 0 HZ PHE B 55 -16.885 9.517 4.202 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.010 8.736 -3.965 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.361 8.402 -5.338 1.00 0.54 C ATOM 2525 C GLN B 56 -17.092 8.317 -6.168 1.00 0.53 C ATOM 2526 O GLN B 56 -16.762 7.268 -6.718 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.301 9.477 -5.903 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.039 9.100 -7.186 1.00 0.76 C ATOM 2529 CD GLN B 56 -19.141 8.975 -8.403 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -18.869 9.958 -9.088 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -18.710 7.761 -8.696 1.00 0.87 N ATOM 0 H GLN B 56 -18.424 9.605 -3.628 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.873 7.440 -5.369 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.039 9.726 -5.140 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.720 10.380 -6.091 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.556 8.153 -7.030 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -20.803 9.851 -7.387 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.960 6.973 -8.099 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -18.127 7.612 -9.519 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.383 9.430 -6.230 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.145 9.506 -6.981 1.00 0.51 C ATOM 2542 C LYS B 57 -14.123 8.505 -6.465 1.00 0.47 C ATOM 2543 O LYS B 57 -13.481 7.833 -7.257 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.573 10.923 -6.949 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.942 11.750 -8.173 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.442 11.987 -8.289 1.00 1.00 C ATOM 2547 CE LYS B 57 -16.862 13.293 -7.640 1.00 0.86 C ATOM 2548 NZ LYS B 57 -18.233 13.690 -8.056 1.00 1.60 N ATOM 0 H LYS B 57 -16.647 10.299 -5.765 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.372 9.251 -8.016 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -14.931 11.432 -6.054 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.487 10.867 -6.871 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.429 12.710 -8.126 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.588 11.242 -9.070 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.727 11.996 -9.341 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.977 11.161 -7.821 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -16.825 13.190 -6.555 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.156 14.079 -7.910 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -18.407 14.677 -7.780 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -18.323 13.598 -9.088 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -18.929 13.073 -7.591 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.987 8.393 -5.146 1.00 0.45 N ATOM 2563 CA LEU B 58 -13.045 7.446 -4.553 1.00 0.43 C ATOM 2564 C LEU B 58 -13.365 6.042 -5.009 1.00 0.42 C ATOM 2565 O LEU B 58 -12.477 5.299 -5.416 1.00 0.41 O ATOM 2566 CB LEU B 58 -13.090 7.488 -3.027 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.839 6.956 -2.339 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.612 7.739 -2.781 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -12.003 7.026 -0.834 1.00 0.40 C ATOM 0 H LEU B 58 -14.515 8.944 -4.469 1.00 0.45 H new ATOM 0 HA LEU B 58 -12.046 7.732 -4.882 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.252 8.518 -2.710 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.949 6.910 -2.686 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.699 5.914 -2.626 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.728 7.345 -2.279 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.489 7.644 -3.860 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.738 8.790 -2.521 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.103 6.643 -0.352 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -12.164 8.061 -0.533 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.860 6.424 -0.533 1.00 0.40 H new ATOM 2581 N MET B 59 -14.642 5.693 -4.931 1.00 0.45 N ATOM 2582 CA MET B 59 -15.123 4.429 -5.452 1.00 0.48 C ATOM 2583 C MET B 59 -14.604 4.225 -6.861 1.00 0.48 C ATOM 2584 O MET B 59 -13.826 3.323 -7.110 1.00 0.48 O ATOM 2585 CB MET B 59 -16.653 4.402 -5.434 1.00 0.54 C ATOM 2586 CG MET B 59 -17.252 3.364 -6.368 1.00 0.57 C ATOM 2587 SD MET B 59 -17.944 4.110 -7.854 1.00 1.64 S ATOM 2588 CE MET B 59 -19.408 4.892 -7.183 1.00 2.39 C ATOM 0 H MET B 59 -15.365 6.275 -4.508 1.00 0.45 H new ATOM 0 HA MET B 59 -14.756 3.618 -4.823 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.993 4.204 -4.418 1.00 0.54 H new ATOM 0 HB3 MET B 59 -17.029 5.387 -5.710 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.484 2.643 -6.649 1.00 0.57 H new ATOM 0 HG3 MET B 59 -18.031 2.812 -5.843 1.00 0.57 H new ATOM 0 HE1 MET B 59 -20.012 5.292 -7.997 1.00 2.39 H new ATOM 0 HE2 MET B 59 -19.990 4.158 -6.626 1.00 2.39 H new ATOM 0 HE3 MET B 59 -19.114 5.703 -6.517 1.00 2.39 H new ATOM 2598 N SER B 60 -14.970 5.126 -7.747 1.00 0.49 N ATOM 2599 CA SER B 60 -14.589 5.023 -9.151 1.00 0.52 C ATOM 2600 C SER B 60 -13.069 5.054 -9.335 1.00 0.51 C ATOM 2601 O SER B 60 -12.548 4.578 -10.339 1.00 0.55 O ATOM 2602 CB SER B 60 -15.237 6.148 -9.952 1.00 0.55 C ATOM 2603 OG SER B 60 -16.648 6.130 -9.806 1.00 1.34 O ATOM 0 H SER B 60 -15.535 5.946 -7.524 1.00 0.49 H new ATOM 0 HA SER B 60 -14.945 4.061 -9.520 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.846 7.109 -9.618 1.00 0.55 H new ATOM 0 HB3 SER B 60 -14.976 6.046 -11.005 1.00 0.55 H new ATOM 0 HG SER B 60 -16.917 5.318 -9.328 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.359 5.636 -8.384 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.913 5.723 -8.478 1.00 0.50 C ATOM 2611 C ASN B 61 -10.264 4.382 -8.188 1.00 0.49 C ATOM 2612 O ASN B 61 -9.416 3.908 -8.944 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.349 6.768 -7.508 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.652 8.194 -7.919 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.753 8.501 -9.108 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.800 9.080 -6.941 1.00 0.57 N ATOM 0 H ASN B 61 -12.758 6.053 -7.543 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.682 6.024 -9.500 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.759 6.589 -6.514 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.269 6.640 -7.435 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -11.005 10.054 -7.162 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.709 8.786 -5.969 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.666 3.785 -7.084 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.062 2.553 -6.610 1.00 0.43 C ATOM 2625 C LEU B 62 -10.686 1.378 -7.332 1.00 0.48 C ATOM 2626 O LEU B 62 -9.989 0.550 -7.920 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.286 2.425 -5.108 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.264 3.748 -4.346 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.542 3.523 -2.871 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.941 4.470 -4.563 1.00 0.35 C ATOM 0 H LEU B 62 -11.418 4.137 -6.491 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.991 2.566 -6.810 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.247 1.939 -4.938 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.519 1.770 -4.694 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.057 4.386 -4.736 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.522 4.479 -2.347 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.524 3.065 -2.752 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.781 2.864 -2.454 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.945 5.410 -4.012 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.122 3.844 -4.207 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.807 4.673 -5.626 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.009 1.344 -7.273 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.831 0.383 -7.993 1.00 0.53 C ATOM 2644 C ASP B 63 -12.629 0.580 -9.496 1.00 0.57 C ATOM 2645 O ASP B 63 -13.379 1.286 -10.165 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.291 0.600 -7.556 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.341 -0.056 -8.421 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.399 -1.294 -8.484 1.00 1.24 O ATOM 2649 OD2 ASP B 63 -16.154 0.683 -9.012 1.00 1.34 O ATOM 0 H ASP B 63 -12.553 1.998 -6.711 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.553 -0.646 -7.767 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.404 0.230 -6.537 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.487 1.672 -7.530 1.00 0.56 H new ATOM 2654 N SER B 64 -11.577 -0.041 -10.008 1.00 0.58 N ATOM 2655 CA SER B 64 -11.131 0.175 -11.373 1.00 0.64 C ATOM 2656 C SER B 64 -12.031 -0.575 -12.337 1.00 0.65 C ATOM 2657 O SER B 64 -12.204 -0.178 -13.488 1.00 0.75 O ATOM 2658 CB SER B 64 -9.678 -0.286 -11.527 1.00 0.72 C ATOM 2659 OG SER B 64 -9.130 0.140 -12.762 1.00 1.38 O ATOM 0 H SER B 64 -11.009 -0.709 -9.487 1.00 0.58 H new ATOM 0 HA SER B 64 -11.185 1.239 -11.603 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.080 0.109 -10.706 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.630 -1.373 -11.461 1.00 0.72 H new ATOM 0 HG SER B 64 -8.202 -0.167 -12.831 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.624 -1.646 -11.845 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.534 -2.449 -12.644 1.00 0.72 C ATOM 2667 C ASN B 65 -14.897 -1.752 -12.734 1.00 0.69 C ATOM 2668 O ASN B 65 -15.758 -2.115 -13.539 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.683 -3.837 -12.017 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.747 -3.838 -10.951 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -15.868 -4.276 -11.190 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -14.406 -3.330 -9.778 1.00 1.16 N ATOM 0 H ASN B 65 -12.492 -1.982 -10.891 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.132 -2.561 -13.651 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -13.937 -4.563 -12.789 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -12.732 -4.149 -11.586 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -15.089 -3.290 -9.022 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -13.460 -2.979 -9.630 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.043 -0.723 -11.891 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.258 0.072 -11.752 1.00 0.60 C ATOM 2681 C ARG B 66 -17.472 -0.790 -11.421 1.00 0.60 C ATOM 2682 O ARG B 66 -18.486 -0.760 -12.116 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.534 0.907 -12.987 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.428 1.878 -13.377 1.00 0.70 C ATOM 2685 CD ARG B 66 -14.927 2.752 -12.222 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.204 3.916 -12.730 1.00 0.78 N ATOM 2687 CZ ARG B 66 -12.941 3.887 -13.156 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -12.247 2.756 -13.120 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -12.373 4.994 -13.610 1.00 1.15 N ATOM 0 H ARG B 66 -14.294 -0.415 -11.271 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.083 0.748 -10.915 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.718 0.235 -13.826 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.451 1.473 -12.825 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.588 1.312 -13.781 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -15.791 2.524 -14.176 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -15.771 3.079 -11.614 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.275 2.167 -11.573 1.00 0.70 H new ATOM 0 HE ARG B 66 -14.697 4.808 -12.761 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -12.680 1.903 -12.765 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -11.281 2.740 -13.447 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.902 5.866 -13.633 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -11.407 4.975 -13.936 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.357 -1.542 -10.344 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.458 -2.348 -9.830 1.00 0.61 C ATOM 2705 C ASP B 67 -19.141 -1.576 -8.713 1.00 0.56 C ATOM 2706 O ASP B 67 -20.191 -1.970 -8.201 1.00 0.57 O ATOM 2707 CB ASP B 67 -17.939 -3.687 -9.303 1.00 0.69 C ATOM 2708 CG ASP B 67 -19.031 -4.711 -9.073 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.047 -4.687 -9.796 1.00 1.63 O ATOM 2710 OD2 ASP B 67 -18.869 -5.565 -8.179 1.00 1.72 O ATOM 0 H ASP B 67 -16.499 -1.615 -9.797 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.169 -2.552 -10.631 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -17.216 -4.092 -10.012 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -17.407 -3.518 -8.367 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.506 -0.460 -8.358 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.979 0.457 -7.326 1.00 0.51 C ATOM 2717 C ASN B 68 -18.786 -0.139 -5.953 1.00 0.46 C ATOM 2718 O ASN B 68 -19.414 0.274 -4.976 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.430 0.881 -7.559 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.580 1.634 -8.864 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.673 1.748 -9.414 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -19.465 2.123 -9.384 1.00 0.66 N ATOM 0 H ASN B 68 -17.631 -0.163 -8.789 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.376 1.363 -7.387 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.071 -0.000 -7.569 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.765 1.509 -6.734 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -19.492 2.617 -10.276 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -18.579 2.005 -8.893 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.893 -1.108 -5.898 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.477 -1.716 -4.658 1.00 0.42 C ATOM 2731 C GLU B 69 -15.984 -1.969 -4.734 1.00 0.40 C ATOM 2732 O GLU B 69 -15.524 -2.737 -5.576 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.212 -3.031 -4.410 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.720 -2.937 -4.546 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.423 -4.251 -4.274 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.610 -5.037 -5.225 1.00 1.31 O ATOM 2737 OE2 GLU B 69 -20.818 -4.492 -3.117 1.00 1.29 O ATOM 0 H GLU B 69 -17.434 -1.496 -6.722 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.714 -1.046 -3.832 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.841 -3.779 -5.111 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.970 -3.386 -3.408 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.095 -2.181 -3.856 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -19.968 -2.600 -5.553 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.240 -1.328 -3.856 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.778 -1.386 -3.908 1.00 0.36 C ATOM 2746 C VAL B 70 -13.255 -2.690 -3.323 1.00 0.35 C ATOM 2747 O VAL B 70 -13.479 -2.982 -2.154 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.149 -0.202 -3.146 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.661 -0.423 -2.926 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.378 1.091 -3.903 1.00 0.36 C ATOM 0 H VAL B 70 -15.614 -0.760 -3.096 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.494 -1.329 -4.959 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.631 -0.133 -2.171 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.243 0.427 -2.387 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.510 -1.332 -2.344 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.162 -0.522 -3.890 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.929 1.919 -3.354 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.921 1.020 -4.890 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.449 1.265 -4.010 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.553 -3.461 -4.142 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.052 -4.767 -3.718 1.00 0.39 C ATOM 2762 C ASP B 71 -10.809 -4.642 -2.840 1.00 0.37 C ATOM 2763 O ASP B 71 -10.232 -3.561 -2.726 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.762 -5.662 -4.936 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.281 -5.946 -5.165 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.610 -5.146 -5.835 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -9.783 -6.982 -4.670 1.00 1.35 O ATOM 0 H ASP B 71 -12.317 -3.208 -5.102 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.833 -5.233 -3.118 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.287 -6.609 -4.810 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.171 -5.187 -5.828 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.433 -5.755 -2.199 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.220 -5.830 -1.380 1.00 0.44 C ATOM 2774 C PHE B 72 -8.056 -5.123 -2.061 1.00 0.40 C ATOM 2775 O PHE B 72 -7.413 -4.242 -1.486 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.805 -7.288 -1.171 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.537 -8.057 -0.107 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -10.712 -8.726 -0.399 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -9.020 -8.148 1.175 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -11.362 -9.467 0.568 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -9.663 -8.894 2.145 1.00 2.18 C ATOM 2782 CZ PHE B 72 -10.837 -9.553 1.838 1.00 2.15 C ATOM 0 H PHE B 72 -10.961 -6.627 -2.234 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.448 -5.351 -0.428 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.929 -7.815 -2.117 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.742 -7.307 -0.933 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -11.126 -8.668 -1.395 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -8.104 -7.630 1.419 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -12.282 -9.979 0.328 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -9.248 -8.961 3.140 1.00 2.18 H new ATOM 0 HZ PHE B 72 -11.343 -10.136 2.594 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.815 -5.515 -3.303 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.683 -5.020 -4.065 1.00 0.37 C ATOM 2794 C GLN B 73 -6.851 -3.550 -4.380 1.00 0.36 C ATOM 2795 O GLN B 73 -5.938 -2.763 -4.179 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.524 -5.811 -5.361 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.275 -5.459 -6.156 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.532 -4.582 -7.381 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -4.831 -4.697 -8.388 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.500 -3.675 -7.307 1.00 0.41 N ATOM 0 H GLN B 73 -8.398 -6.183 -3.808 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.786 -5.148 -3.459 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.503 -6.875 -5.124 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.400 -5.641 -5.987 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.573 -4.946 -5.498 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.793 -6.382 -6.480 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -7.066 -3.601 -6.462 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.677 -3.053 -8.096 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.016 -3.194 -4.900 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.318 -1.810 -5.243 1.00 0.39 C ATOM 2811 C GLU B 74 -8.176 -0.919 -4.013 1.00 0.38 C ATOM 2812 O GLU B 74 -7.787 0.245 -4.112 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.727 -1.715 -5.830 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.888 -2.512 -7.117 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.316 -2.553 -7.623 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -12.239 -2.643 -6.793 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -11.511 -2.512 -8.866 1.00 2.18 O ATOM 0 H GLU B 74 -8.773 -3.849 -5.095 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.609 -1.463 -5.994 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.447 -2.074 -5.094 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.964 -0.669 -6.024 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.250 -2.078 -7.887 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.540 -3.531 -6.951 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.463 -1.492 -2.854 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.309 -0.799 -1.592 1.00 0.36 C ATOM 2826 C TYR B 75 -6.826 -0.710 -1.203 1.00 0.34 C ATOM 2827 O TYR B 75 -6.376 0.295 -0.655 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.110 -1.512 -0.498 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.951 -0.871 0.865 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.403 0.420 1.093 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -8.338 -1.545 1.913 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.252 1.022 2.326 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -8.184 -0.950 3.153 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.642 0.334 3.353 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.506 0.933 4.585 1.00 2.33 O ATOM 0 H TYR B 75 -8.808 -2.448 -2.766 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.694 0.215 -1.702 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.165 -1.515 -0.771 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.792 -2.553 -0.443 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.881 0.964 0.292 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -7.975 -2.550 1.758 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.610 2.028 2.485 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.708 -1.489 3.959 1.00 2.09 H new ATOM 0 HH TYR B 75 -7.555 1.018 4.804 1.00 2.33 H new ATOM 2845 N SER B 76 -6.070 -1.765 -1.493 1.00 0.35 N ATOM 2846 CA SER B 76 -4.629 -1.772 -1.240 1.00 0.36 C ATOM 2847 C SER B 76 -3.919 -0.759 -2.134 1.00 0.36 C ATOM 2848 O SER B 76 -3.050 -0.013 -1.680 1.00 0.41 O ATOM 2849 CB SER B 76 -4.049 -3.172 -1.469 1.00 0.41 C ATOM 2850 OG SER B 76 -2.631 -3.148 -1.461 1.00 1.21 O ATOM 0 H SER B 76 -6.429 -2.627 -1.903 1.00 0.35 H new ATOM 0 HA SER B 76 -4.467 -1.491 -0.199 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.408 -3.848 -0.693 1.00 0.41 H new ATOM 0 HB3 SER B 76 -4.403 -3.564 -2.423 1.00 0.41 H new ATOM 0 HG SER B 76 -2.304 -2.837 -2.331 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.312 -0.726 -3.399 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.748 0.206 -4.365 1.00 0.36 C ATOM 2858 C VAL B 77 -4.128 1.616 -3.966 1.00 0.33 C ATOM 2859 O VAL B 77 -3.388 2.569 -4.192 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.255 -0.079 -5.796 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -3.737 0.965 -6.773 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -3.847 -1.475 -6.239 1.00 0.43 C ATOM 0 H VAL B 77 -5.028 -1.342 -3.784 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.665 0.086 -4.366 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.344 -0.024 -5.787 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.108 0.743 -7.774 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.084 1.952 -6.469 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -2.647 0.949 -6.778 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.213 -1.658 -7.249 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.760 -1.558 -6.226 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.275 -2.212 -5.559 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.293 1.721 -3.360 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.760 2.965 -2.788 1.00 0.29 C ATOM 2874 C PHE B 78 -4.780 3.469 -1.738 1.00 0.27 C ATOM 2875 O PHE B 78 -4.214 4.555 -1.870 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.130 2.748 -2.155 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.607 3.911 -1.332 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.440 5.214 -1.775 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.218 3.696 -0.112 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.871 6.275 -1.014 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.653 4.755 0.652 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.479 6.047 0.202 1.00 0.37 C ATOM 0 H PHE B 78 -5.944 0.943 -3.251 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.836 3.712 -3.578 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.857 2.549 -2.943 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.092 1.860 -1.525 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -6.966 5.398 -2.728 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.356 2.686 0.246 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.733 7.286 -1.369 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.130 4.574 1.604 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.819 6.879 0.801 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.585 2.664 -0.702 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.684 3.011 0.388 1.00 0.27 C ATOM 2894 C LEU B 79 -2.279 3.254 -0.138 1.00 0.31 C ATOM 2895 O LEU B 79 -1.574 4.149 0.330 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.664 1.898 1.430 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.033 1.485 1.971 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -4.859 0.567 3.155 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.865 2.698 2.356 1.00 0.30 C ATOM 0 H LEU B 79 -5.043 1.759 -0.594 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.045 3.928 0.854 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.185 1.022 0.993 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.042 2.217 2.266 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.567 0.956 1.182 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -5.838 0.276 3.537 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.310 -0.323 2.848 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.304 1.084 3.938 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.832 2.370 2.737 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.345 3.266 3.127 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.015 3.329 1.480 1.00 0.30 H new ATOM 2911 N SER B 80 -1.888 2.454 -1.120 1.00 0.36 N ATOM 2912 CA SER B 80 -0.624 2.643 -1.800 1.00 0.47 C ATOM 2913 C SER B 80 -0.564 4.040 -2.383 1.00 0.37 C ATOM 2914 O SER B 80 0.338 4.803 -2.067 1.00 0.38 O ATOM 2915 CB SER B 80 -0.459 1.614 -2.914 1.00 0.66 C ATOM 2916 OG SER B 80 0.849 1.656 -3.464 1.00 0.84 O ATOM 0 H SER B 80 -2.435 1.664 -1.462 1.00 0.36 H new ATOM 0 HA SER B 80 0.184 2.513 -1.081 1.00 0.47 H new ATOM 0 HB2 SER B 80 -0.660 0.616 -2.523 1.00 0.66 H new ATOM 0 HB3 SER B 80 -1.192 1.803 -3.698 1.00 0.66 H new ATOM 0 HG SER B 80 0.944 2.456 -4.022 1.00 0.84 H new ATOM 2922 N SER B 81 -1.556 4.373 -3.205 1.00 0.33 N ATOM 2923 CA SER B 81 -1.627 5.675 -3.852 1.00 0.30 C ATOM 2924 C SER B 81 -1.570 6.794 -2.820 1.00 0.24 C ATOM 2925 O SER B 81 -0.948 7.825 -3.057 1.00 0.26 O ATOM 2926 CB SER B 81 -2.904 5.784 -4.686 1.00 0.37 C ATOM 2927 OG SER B 81 -2.955 4.758 -5.667 1.00 1.22 O ATOM 0 H SER B 81 -2.329 3.749 -3.439 1.00 0.33 H new ATOM 0 HA SER B 81 -0.767 5.777 -4.514 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.776 5.715 -4.035 1.00 0.37 H new ATOM 0 HB3 SER B 81 -2.945 6.759 -5.171 1.00 0.37 H new ATOM 0 HG SER B 81 -3.127 3.897 -5.231 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.205 6.577 -1.669 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.129 7.529 -0.570 1.00 0.23 C ATOM 2935 C ILE B 82 -0.679 7.789 -0.198 1.00 0.27 C ATOM 2936 O ILE B 82 -0.204 8.922 -0.263 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.846 7.027 0.696 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.324 6.735 0.411 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.692 8.053 1.813 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.108 6.315 1.636 1.00 0.23 C ATOM 0 H ILE B 82 -2.775 5.753 -1.477 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.619 8.437 -0.921 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.387 6.091 1.015 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.785 7.625 -0.017 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.392 5.948 -0.340 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.201 7.695 2.708 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.634 8.198 2.030 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.131 9.000 1.500 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.145 6.125 1.357 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.673 5.407 2.053 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.072 7.110 2.381 1.00 0.23 H new ATOM 2952 N ALA B 83 0.015 6.724 0.181 1.00 0.30 N ATOM 2953 CA ALA B 83 1.400 6.821 0.610 1.00 0.36 C ATOM 2954 C ALA B 83 2.286 7.333 -0.526 1.00 0.37 C ATOM 2955 O ALA B 83 3.241 8.066 -0.289 1.00 0.42 O ATOM 2956 CB ALA B 83 1.880 5.469 1.128 1.00 0.40 C ATOM 0 H ALA B 83 -0.364 5.777 0.199 1.00 0.30 H new ATOM 0 HA ALA B 83 1.469 7.542 1.425 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.919 5.550 1.448 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.263 5.163 1.973 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.801 4.726 0.334 1.00 0.40 H new ATOM 2962 N MET B 84 1.942 6.964 -1.760 1.00 0.37 N ATOM 2963 CA MET B 84 2.654 7.442 -2.944 1.00 0.43 C ATOM 2964 C MET B 84 2.555 8.954 -3.035 1.00 0.34 C ATOM 2965 O MET B 84 3.563 9.656 -3.068 1.00 0.37 O ATOM 2966 CB MET B 84 2.066 6.834 -4.225 1.00 0.64 C ATOM 2967 CG MET B 84 2.154 5.321 -4.303 1.00 0.44 C ATOM 2968 SD MET B 84 1.250 4.639 -5.711 1.00 1.00 S ATOM 2969 CE MET B 84 1.932 5.590 -7.067 1.00 1.26 C ATOM 0 H MET B 84 1.169 6.331 -1.966 1.00 0.37 H new ATOM 0 HA MET B 84 3.696 7.138 -2.850 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.020 7.129 -4.305 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.583 7.260 -5.085 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.201 5.026 -4.372 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.761 4.891 -3.382 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.178 4.922 -7.892 1.00 1.26 H new ATOM 0 HE2 MET B 84 1.199 6.324 -7.401 1.00 1.26 H new ATOM 0 HE3 MET B 84 2.834 6.103 -6.734 1.00 1.26 H new ATOM 2979 N MET B 85 1.325 9.446 -3.067 1.00 0.33 N ATOM 2980 CA MET B 85 1.072 10.877 -3.128 1.00 0.35 C ATOM 2981 C MET B 85 1.750 11.565 -1.957 1.00 0.35 C ATOM 2982 O MET B 85 2.447 12.561 -2.123 1.00 0.42 O ATOM 2983 CB MET B 85 -0.432 11.152 -3.096 1.00 0.39 C ATOM 2984 CG MET B 85 -1.197 10.504 -4.239 1.00 1.36 C ATOM 2985 SD MET B 85 -0.866 11.274 -5.835 1.00 2.66 S ATOM 2986 CE MET B 85 -2.024 10.384 -6.877 1.00 3.35 C ATOM 0 H MET B 85 0.483 8.871 -3.052 1.00 0.33 H new ATOM 0 HA MET B 85 1.478 11.269 -4.061 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.838 10.794 -2.150 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.596 12.229 -3.126 1.00 0.39 H new ATOM 0 HG2 MET B 85 -0.935 9.447 -4.291 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.265 10.558 -4.030 1.00 1.36 H new ATOM 0 HE1 MET B 85 -1.943 10.745 -7.902 1.00 3.35 H new ATOM 0 HE2 MET B 85 -1.795 9.319 -6.848 1.00 3.35 H new ATOM 0 HE3 MET B 85 -3.039 10.546 -6.514 1.00 3.35 H new ATOM 2996 N SER B 86 1.570 10.990 -0.777 1.00 0.33 N ATOM 2997 CA SER B 86 2.151 11.526 0.441 1.00 0.39 C ATOM 2998 C SER B 86 3.679 11.611 0.350 1.00 0.43 C ATOM 2999 O SER B 86 4.279 12.527 0.901 1.00 0.57 O ATOM 3000 CB SER B 86 1.735 10.661 1.633 1.00 0.43 C ATOM 3001 OG SER B 86 0.321 10.595 1.743 1.00 1.25 O ATOM 0 H SER B 86 1.019 10.143 -0.639 1.00 0.33 H new ATOM 0 HA SER B 86 1.776 12.540 0.579 1.00 0.39 H new ATOM 0 HB2 SER B 86 2.142 9.656 1.518 1.00 0.43 H new ATOM 0 HB3 SER B 86 2.156 11.072 2.550 1.00 0.43 H new ATOM 0 HG SER B 86 -0.034 10.000 1.050 1.00 1.25 H new ATOM 3007 N ASN B 87 4.305 10.669 -0.353 1.00 0.40 N ATOM 3008 CA ASN B 87 5.764 10.618 -0.414 1.00 0.51 C ATOM 3009 C ASN B 87 6.331 11.535 -1.504 1.00 0.44 C ATOM 3010 O ASN B 87 7.388 12.162 -1.332 1.00 0.53 O ATOM 3011 CB ASN B 87 6.250 9.163 -0.552 1.00 0.69 C ATOM 3012 CG ASN B 87 6.058 8.493 -1.916 1.00 1.43 C ATOM 3013 OD1 ASN B 87 5.583 7.363 -1.989 1.00 2.36 O ATOM 3014 ND2 ASN B 87 6.479 9.135 -2.990 1.00 1.49 N ATOM 0 H ASN B 87 3.831 9.938 -0.883 1.00 0.40 H new ATOM 0 HA ASN B 87 6.153 11.005 0.528 1.00 0.51 H new ATOM 0 HB2 ASN B 87 7.312 9.136 -0.307 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.735 8.561 0.197 1.00 0.69 H new ATOM 0 HD21 ASN B 87 6.413 8.693 -3.907 1.00 1.49 H new ATOM 0 HD22 ASN B 87 6.870 10.073 -2.903 1.00 1.49 H new ATOM 3021 N GLU B 88 5.643 11.611 -2.629 1.00 0.37 N ATOM 3022 CA GLU B 88 6.023 12.540 -3.680 1.00 0.42 C ATOM 3023 C GLU B 88 5.904 13.951 -3.144 1.00 0.51 C ATOM 3024 O GLU B 88 6.843 14.740 -3.197 1.00 0.66 O ATOM 3025 CB GLU B 88 5.124 12.362 -4.897 1.00 0.48 C ATOM 3026 CG GLU B 88 5.077 10.938 -5.410 1.00 0.51 C ATOM 3027 CD GLU B 88 6.266 10.607 -6.269 1.00 0.91 C ATOM 3028 OE1 GLU B 88 7.408 10.804 -5.811 1.00 1.49 O ATOM 3029 OE2 GLU B 88 6.056 10.152 -7.408 1.00 1.74 O ATOM 0 H GLU B 88 4.822 11.044 -2.839 1.00 0.37 H new ATOM 0 HA GLU B 88 7.051 12.346 -3.988 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.114 12.682 -4.642 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.473 13.016 -5.696 1.00 0.48 H new ATOM 0 HG2 GLU B 88 5.038 10.250 -4.566 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.163 10.790 -5.985 1.00 0.51 H new ATOM 3036 N PHE B 89 4.739 14.226 -2.590 1.00 0.50 N ATOM 3037 CA PHE B 89 4.472 15.474 -1.887 1.00 0.63 C ATOM 3038 C PHE B 89 5.347 15.619 -0.645 1.00 0.66 C ATOM 3039 O PHE B 89 5.508 16.726 -0.126 1.00 0.79 O ATOM 3040 CB PHE B 89 3.000 15.530 -1.478 1.00 0.73 C ATOM 3041 CG PHE B 89 2.057 15.885 -2.598 1.00 1.18 C ATOM 3042 CD1 PHE B 89 1.803 14.992 -3.628 1.00 2.16 C ATOM 3043 CD2 PHE B 89 1.417 17.113 -2.613 1.00 1.70 C ATOM 3044 CE1 PHE B 89 0.932 15.316 -4.649 1.00 2.79 C ATOM 3045 CE2 PHE B 89 0.545 17.444 -3.632 1.00 2.37 C ATOM 3046 CZ PHE B 89 0.302 16.543 -4.653 1.00 2.70 C ATOM 0 H PHE B 89 3.943 13.588 -2.613 1.00 0.50 H new ATOM 0 HA PHE B 89 4.706 16.295 -2.565 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.712 14.561 -1.070 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.885 16.261 -0.677 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.293 14.030 -3.632 1.00 2.16 H new ATOM 0 HD2 PHE B 89 1.602 17.821 -1.818 1.00 1.70 H new ATOM 0 HE1 PHE B 89 0.744 14.609 -5.444 1.00 2.79 H new ATOM 0 HE2 PHE B 89 0.053 18.406 -3.631 1.00 2.37 H new ATOM 0 HZ PHE B 89 -0.379 16.800 -5.451 1.00 2.70 H new ATOM 3056 N PHE B 90 5.904 14.509 -0.165 1.00 0.60 N ATOM 3057 CA PHE B 90 6.784 14.544 0.997 1.00 0.68 C ATOM 3058 C PHE B 90 7.995 15.404 0.695 1.00 0.68 C ATOM 3059 O PHE B 90 8.383 16.247 1.501 1.00 0.79 O ATOM 3060 CB PHE B 90 7.218 13.134 1.398 1.00 0.70 C ATOM 3061 CG PHE B 90 8.117 13.080 2.602 1.00 0.85 C ATOM 3062 CD1 PHE B 90 7.585 13.133 3.879 1.00 1.53 C ATOM 3063 CD2 PHE B 90 9.491 12.968 2.455 1.00 1.46 C ATOM 3064 CE1 PHE B 90 8.406 13.078 4.988 1.00 1.64 C ATOM 3065 CE2 PHE B 90 10.317 12.913 3.561 1.00 1.59 C ATOM 3066 CZ PHE B 90 9.774 12.968 4.829 1.00 1.21 C ATOM 0 H PHE B 90 5.762 13.580 -0.561 1.00 0.60 H new ATOM 0 HA PHE B 90 6.237 14.976 1.835 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.329 12.536 1.597 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.732 12.671 0.555 1.00 0.70 H new ATOM 0 HD1 PHE B 90 6.516 13.218 4.009 1.00 1.53 H new ATOM 0 HD2 PHE B 90 9.920 12.923 1.465 1.00 1.46 H new ATOM 0 HE1 PHE B 90 7.979 13.121 5.979 1.00 1.64 H new ATOM 0 HE2 PHE B 90 11.386 12.827 3.434 1.00 1.59 H new ATOM 0 HZ PHE B 90 10.418 12.925 5.695 1.00 1.21 H new ATOM 3076 N GLU B 91 8.593 15.201 -0.472 1.00 0.61 N ATOM 3077 CA GLU B 91 9.686 16.071 -0.876 1.00 0.72 C ATOM 3078 C GLU B 91 9.157 17.236 -1.713 1.00 0.77 C ATOM 3079 O GLU B 91 9.769 18.304 -1.772 1.00 0.95 O ATOM 3080 CB GLU B 91 10.774 15.311 -1.629 1.00 0.82 C ATOM 3081 CG GLU B 91 10.424 15.049 -3.065 1.00 0.92 C ATOM 3082 CD GLU B 91 11.510 14.307 -3.816 1.00 1.57 C ATOM 3083 OE1 GLU B 91 12.617 14.862 -3.973 1.00 2.25 O ATOM 3084 OE2 GLU B 91 11.252 13.177 -4.265 1.00 2.22 O ATOM 0 H GLU B 91 8.349 14.466 -1.136 1.00 0.61 H new ATOM 0 HA GLU B 91 10.143 16.468 0.030 1.00 0.72 H new ATOM 0 HB2 GLU B 91 11.703 15.880 -1.586 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.959 14.361 -1.127 1.00 0.82 H new ATOM 0 HG2 GLU B 91 9.501 14.471 -3.108 1.00 0.92 H new ATOM 0 HG3 GLU B 91 10.229 15.998 -3.564 1.00 0.92 H new ATOM 3091 N GLY B 92 8.017 17.022 -2.355 1.00 0.71 N ATOM 3092 CA GLY B 92 7.378 18.082 -3.110 1.00 0.82 C ATOM 3093 C GLY B 92 7.411 17.818 -4.598 1.00 0.81 C ATOM 3094 O GLY B 92 6.735 18.491 -5.377 1.00 0.91 O ATOM 0 H GLY B 92 7.522 16.130 -2.367 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.343 18.186 -2.783 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.876 19.028 -2.899 1.00 0.82 H new ATOM 3098 N PHE B 93 8.201 16.834 -4.991 1.00 0.76 N ATOM 3099 CA PHE B 93 8.346 16.462 -6.388 1.00 0.78 C ATOM 3100 C PHE B 93 8.452 14.953 -6.507 1.00 0.69 C ATOM 3101 O PHE B 93 8.900 14.284 -5.579 1.00 0.82 O ATOM 3102 CB PHE B 93 9.601 17.100 -6.996 1.00 1.00 C ATOM 3103 CG PHE B 93 9.531 18.591 -7.135 1.00 1.67 C ATOM 3104 CD1 PHE B 93 8.825 19.167 -8.176 1.00 2.41 C ATOM 3105 CD2 PHE B 93 10.174 19.416 -6.227 1.00 2.58 C ATOM 3106 CE1 PHE B 93 8.761 20.538 -8.312 1.00 3.46 C ATOM 3107 CE2 PHE B 93 10.115 20.789 -6.358 1.00 3.59 C ATOM 3108 CZ PHE B 93 9.407 21.351 -7.402 1.00 3.90 C ATOM 0 H PHE B 93 8.760 16.270 -4.351 1.00 0.76 H new ATOM 0 HA PHE B 93 7.470 16.820 -6.929 1.00 0.78 H new ATOM 0 HB2 PHE B 93 10.460 16.845 -6.376 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.776 16.663 -7.979 1.00 1.00 H new ATOM 0 HD1 PHE B 93 8.318 18.536 -8.891 1.00 2.41 H new ATOM 0 HD2 PHE B 93 10.727 18.981 -5.408 1.00 2.58 H new ATOM 0 HE1 PHE B 93 8.206 20.975 -9.129 1.00 3.46 H new ATOM 0 HE2 PHE B 93 10.622 21.423 -5.645 1.00 3.59 H new ATOM 0 HZ PHE B 93 9.359 22.425 -7.507 1.00 3.90 H new ATOM 3118 N PRO B 94 8.031 14.386 -7.636 1.00 0.64 N ATOM 3119 CA PRO B 94 8.263 12.983 -7.923 1.00 0.61 C ATOM 3120 C PRO B 94 9.632 12.795 -8.563 1.00 0.71 C ATOM 3121 O PRO B 94 9.768 12.242 -9.656 1.00 0.90 O ATOM 3122 CB PRO B 94 7.126 12.663 -8.881 1.00 0.65 C ATOM 3123 CG PRO B 94 6.942 13.914 -9.665 1.00 0.84 C ATOM 3124 CD PRO B 94 7.268 15.045 -8.716 1.00 0.83 C ATOM 0 HA PRO B 94 8.272 12.333 -7.048 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.376 11.822 -9.527 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.217 12.393 -8.343 1.00 0.65 H new ATOM 0 HG2 PRO B 94 7.599 13.931 -10.534 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.920 13.997 -10.036 1.00 0.84 H new ATOM 0 HD2 PRO B 94 7.856 15.822 -9.205 1.00 0.83 H new ATOM 0 HD3 PRO B 94 6.365 15.521 -8.335 1.00 0.83 H new ATOM 3132 N ASP B 95 10.645 13.272 -7.848 1.00 0.71 N ATOM 3133 CA ASP B 95 12.003 13.363 -8.365 1.00 0.87 C ATOM 3134 C ASP B 95 12.780 12.081 -8.118 1.00 0.84 C ATOM 3135 O ASP B 95 13.866 11.876 -8.655 1.00 0.96 O ATOM 3136 CB ASP B 95 12.705 14.554 -7.714 1.00 1.12 C ATOM 3137 CG ASP B 95 14.132 14.739 -8.191 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.329 15.229 -9.323 1.00 2.16 O ATOM 3139 OD2 ASP B 95 15.061 14.404 -7.426 1.00 2.40 O ATOM 0 H ASP B 95 10.546 13.607 -6.890 1.00 0.71 H new ATOM 0 HA ASP B 95 11.959 13.508 -9.444 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.138 15.461 -7.924 1.00 1.12 H new ATOM 0 HB3 ASP B 95 12.705 14.421 -6.632 1.00 1.12 H new ATOM 3144 N LYS B 96 12.189 11.202 -7.335 1.00 0.81 N ATOM 3145 CA LYS B 96 12.800 9.924 -7.007 1.00 0.86 C ATOM 3146 C LYS B 96 12.674 9.003 -8.205 1.00 0.83 C ATOM 3147 O LYS B 96 13.402 8.024 -8.358 1.00 0.94 O ATOM 3148 CB LYS B 96 12.087 9.325 -5.803 1.00 0.97 C ATOM 3149 CG LYS B 96 11.931 10.309 -4.659 1.00 0.93 C ATOM 3150 CD LYS B 96 10.977 9.801 -3.584 1.00 0.65 C ATOM 3151 CE LYS B 96 9.527 10.089 -3.950 1.00 0.84 C ATOM 3152 NZ LYS B 96 9.260 11.545 -4.086 1.00 1.85 N ATOM 0 H LYS B 96 11.275 11.350 -6.908 1.00 0.81 H new ATOM 0 HA LYS B 96 13.854 10.056 -6.763 1.00 0.86 H new ATOM 0 HB2 LYS B 96 11.102 8.972 -6.109 1.00 0.97 H new ATOM 0 HB3 LYS B 96 12.643 8.455 -5.454 1.00 0.97 H new ATOM 0 HG2 LYS B 96 12.907 10.502 -4.214 1.00 0.93 H new ATOM 0 HG3 LYS B 96 11.564 11.259 -5.048 1.00 0.93 H new ATOM 0 HD2 LYS B 96 11.114 8.728 -3.450 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.215 10.274 -2.631 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.284 9.588 -4.887 1.00 0.84 H new ATOM 0 HE3 LYS B 96 8.871 9.671 -3.186 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 8.699 11.716 -4.945 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.732 11.880 -3.255 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 10.162 12.058 -4.154 1.00 1.85 H new ATOM 3166 N GLN B 97 11.742 9.369 -9.059 1.00 0.85 N ATOM 3167 CA GLN B 97 11.410 8.611 -10.248 1.00 1.00 C ATOM 3168 C GLN B 97 11.563 9.511 -11.452 1.00 1.03 C ATOM 3169 O GLN B 97 11.504 10.732 -11.330 1.00 1.07 O ATOM 3170 CB GLN B 97 9.966 8.134 -10.149 1.00 1.19 C ATOM 3171 CG GLN B 97 9.586 7.683 -8.752 1.00 1.20 C ATOM 3172 CD GLN B 97 8.095 7.615 -8.556 1.00 1.05 C ATOM 3173 OE1 GLN B 97 7.345 7.279 -9.471 1.00 1.71 O ATOM 3174 NE2 GLN B 97 7.658 7.970 -7.366 1.00 0.97 N ATOM 0 H GLN B 97 11.184 10.215 -8.945 1.00 0.85 H new ATOM 0 HA GLN B 97 12.070 7.749 -10.343 1.00 1.00 H new ATOM 0 HB2 GLN B 97 9.301 8.940 -10.458 1.00 1.19 H new ATOM 0 HB3 GLN B 97 9.813 7.310 -10.845 1.00 1.19 H new ATOM 0 HG2 GLN B 97 10.020 6.702 -8.559 1.00 1.20 H new ATOM 0 HG3 GLN B 97 10.015 8.370 -8.022 1.00 1.20 H new ATOM 0 HE21 GLN B 97 8.321 8.241 -6.639 1.00 0.97 H new ATOM 0 HE22 GLN B 97 6.657 7.974 -7.171 1.00 0.97 H new ATOM 3183 N PRO B 98 11.734 8.932 -12.631 1.00 1.26 N ATOM 3184 CA PRO B 98 11.776 9.663 -13.868 1.00 1.46 C ATOM 3185 C PRO B 98 10.369 9.804 -14.417 1.00 1.51 C ATOM 3186 O PRO B 98 10.108 9.527 -15.584 1.00 1.97 O ATOM 3187 CB PRO B 98 12.640 8.780 -14.778 1.00 1.83 C ATOM 3188 CG PRO B 98 12.725 7.443 -14.102 1.00 1.83 C ATOM 3189 CD PRO B 98 11.841 7.509 -12.883 1.00 1.53 C ATOM 0 HA PRO B 98 12.177 10.672 -13.772 1.00 1.46 H new ATOM 0 HB2 PRO B 98 12.195 8.688 -15.769 1.00 1.83 H new ATOM 0 HB3 PRO B 98 13.632 9.212 -14.913 1.00 1.83 H new ATOM 0 HG2 PRO B 98 12.397 6.650 -14.774 1.00 1.83 H new ATOM 0 HG3 PRO B 98 13.754 7.218 -13.821 1.00 1.83 H new ATOM 0 HD2 PRO B 98 10.866 7.058 -13.067 1.00 1.53 H new ATOM 0 HD3 PRO B 98 12.281 6.982 -12.037 1.00 1.53 H new ATOM 3197 N ARG B 99 9.455 10.186 -13.537 1.00 1.37 N ATOM 3198 CA ARG B 99 8.081 10.415 -13.924 1.00 1.57 C ATOM 3199 C ARG B 99 7.852 11.914 -14.075 1.00 1.88 C ATOM 3200 O ARG B 99 6.868 12.356 -14.665 1.00 2.42 O ATOM 3201 CB ARG B 99 7.111 9.814 -12.908 1.00 2.01 C ATOM 3202 CG ARG B 99 7.133 10.492 -11.553 1.00 1.98 C ATOM 3203 CD ARG B 99 6.177 9.819 -10.587 1.00 2.58 C ATOM 3204 NE ARG B 99 4.793 9.869 -11.049 1.00 3.49 N ATOM 3205 CZ ARG B 99 3.738 9.878 -10.236 1.00 4.43 C ATOM 3206 NH1 ARG B 99 3.906 9.893 -8.920 1.00 4.69 N ATOM 3207 NH2 ARG B 99 2.510 9.889 -10.742 1.00 5.41 N ATOM 0 H ARG B 99 9.647 10.343 -12.548 1.00 1.37 H new ATOM 0 HA ARG B 99 7.892 9.921 -14.877 1.00 1.57 H new ATOM 0 HB2 ARG B 99 6.100 9.867 -13.312 1.00 2.01 H new ATOM 0 HB3 ARG B 99 7.347 8.758 -12.777 1.00 2.01 H new ATOM 0 HG2 ARG B 99 8.144 10.465 -11.146 1.00 1.98 H new ATOM 0 HG3 ARG B 99 6.862 11.542 -11.664 1.00 1.98 H new ATOM 0 HD2 ARG B 99 6.474 8.779 -10.451 1.00 2.58 H new ATOM 0 HD3 ARG B 99 6.250 10.302 -9.612 1.00 2.58 H new ATOM 0 HE ARG B 99 4.624 9.899 -12.054 1.00 3.49 H new ATOM 0 HH11 ARG B 99 4.847 9.898 -8.526 1.00 4.69 H new ATOM 0 HH12 ARG B 99 3.094 9.900 -8.302 1.00 4.69 H new ATOM 0 HH21 ARG B 99 2.375 9.891 -11.753 1.00 5.41 H new ATOM 0 HH22 ARG B 99 1.702 9.896 -10.120 1.00 5.41 H new ATOM 3221 N LYS B 100 8.770 12.687 -13.500 1.00 2.16 N ATOM 3222 CA LYS B 100 8.874 14.112 -13.781 1.00 2.96 C ATOM 3223 C LYS B 100 9.949 14.310 -14.838 1.00 3.79 C ATOM 3224 O LYS B 100 9.846 15.186 -15.699 1.00 4.60 O ATOM 3225 CB LYS B 100 9.216 14.892 -12.507 1.00 3.58 C ATOM 3226 CG LYS B 100 9.614 16.338 -12.754 1.00 4.14 C ATOM 3227 CD LYS B 100 9.937 17.055 -11.455 1.00 5.01 C ATOM 3228 CE LYS B 100 10.458 18.462 -11.708 1.00 5.79 C ATOM 3229 NZ LYS B 100 11.770 18.452 -12.406 1.00 6.34 N ATOM 0 H LYS B 100 9.458 12.343 -12.830 1.00 2.16 H new ATOM 0 HA LYS B 100 7.919 14.489 -14.147 1.00 2.96 H new ATOM 0 HB2 LYS B 100 8.355 14.872 -11.839 1.00 3.58 H new ATOM 0 HB3 LYS B 100 10.031 14.385 -11.991 1.00 3.58 H new ATOM 0 HG2 LYS B 100 10.481 16.370 -13.414 1.00 4.14 H new ATOM 0 HG3 LYS B 100 8.804 16.857 -13.266 1.00 4.14 H new ATOM 0 HD2 LYS B 100 9.043 17.103 -10.833 1.00 5.01 H new ATOM 0 HD3 LYS B 100 10.681 16.485 -10.899 1.00 5.01 H new ATOM 0 HE2 LYS B 100 9.733 19.015 -12.306 1.00 5.79 H new ATOM 0 HE3 LYS B 100 10.556 18.989 -10.759 1.00 5.79 H new ATOM 0 HZ1 LYS B 100 12.200 19.397 -12.350 1.00 6.34 H new ATOM 0 HZ2 LYS B 100 12.399 17.758 -11.954 1.00 6.34 H new ATOM 0 HZ3 LYS B 100 11.630 18.194 -13.404 1.00 6.34 H new ATOM 3243 N LYS B 101 10.967 13.453 -14.757 1.00 3.82 N ATOM 3244 CA LYS B 101 12.027 13.373 -15.755 1.00 4.81 C ATOM 3245 C LYS B 101 12.893 14.629 -15.738 1.00 5.78 C ATOM 3246 O LYS B 101 12.653 15.540 -16.561 1.00 6.45 O ATOM 3247 CB LYS B 101 11.435 13.141 -17.149 1.00 5.01 C ATOM 3248 CG LYS B 101 10.784 11.777 -17.300 1.00 4.42 C ATOM 3249 CD LYS B 101 9.453 11.849 -18.033 1.00 5.04 C ATOM 3250 CE LYS B 101 8.413 12.631 -17.243 1.00 4.78 C ATOM 3251 NZ LYS B 101 7.085 12.633 -17.914 1.00 5.64 N ATOM 3252 OXT LYS B 101 13.800 14.708 -14.885 1.00 6.09 O ATOM 0 H LYS B 101 11.078 12.790 -13.989 1.00 3.82 H new ATOM 0 HA LYS B 101 12.664 12.525 -15.505 1.00 4.81 H new ATOM 0 HB2 LYS B 101 10.696 13.915 -17.357 1.00 5.01 H new ATOM 0 HB3 LYS B 101 12.224 13.245 -17.894 1.00 5.01 H new ATOM 0 HG2 LYS B 101 11.458 11.113 -17.841 1.00 4.42 H new ATOM 0 HG3 LYS B 101 10.630 11.340 -16.314 1.00 4.42 H new ATOM 0 HD2 LYS B 101 9.599 12.319 -19.006 1.00 5.04 H new ATOM 0 HD3 LYS B 101 9.085 10.840 -18.218 1.00 5.04 H new ATOM 0 HE2 LYS B 101 8.315 12.199 -16.247 1.00 4.78 H new ATOM 0 HE3 LYS B 101 8.754 13.658 -17.113 1.00 4.78 H new ATOM 0 HZ1 LYS B 101 6.408 13.177 -17.342 1.00 5.64 H new ATOM 0 HZ2 LYS B 101 7.172 13.069 -18.854 1.00 5.64 H new ATOM 0 HZ3 LYS B 101 6.746 11.655 -18.016 1.00 5.64 H new TER 3266 LYS B 101