USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 1644 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 31 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.5!) USER MOD Set 1.2: B 92 HIS : no HD1:sc= 0.00634 K(o=-1.7,f=-5) USER MOD Set 2.1: A 78 SER OG : rot 95:sc= 1.3 USER MOD Set 2.2: B 89 MET CE :methyl 152:sc= -0.424 (180deg=-1.24!) USER MOD Set 3.1: B 33 THR OG1 : rot 74:sc= 0.611 USER MOD Set 3.2: B 74 GLN : amide:sc= 0.275 K(o=0.89,f=-7.3!) USER MOD Set 4.1: A 92 HIS : no HD1:sc= 0.0205 K(o=-1.9,f=-5.3) USER MOD Set 4.2: B 31 ASN : amide:sc= -1.96 K(o=-1.9,f=-3!) USER MOD Set 5.1: B 24 TYR OH : rot -103:sc= 1.19 USER MOD Set 5.2: B 45 THR OG1 : rot 115:sc= 1.99 USER MOD Set 6.1: A 89 MET CE :methyl 159:sc= -0.358 (180deg=-1.37!) USER MOD Set 6.2: B 78 SER OG : rot 96:sc= 1.23 USER MOD Set 7.1: A 24 TYR OH : rot -135:sc= 1.17 USER MOD Set 7.2: A 45 THR OG1 : rot -74:sc= 1.73 USER MOD Set 8.1: A 33 THR OG1 : rot 75:sc= 0.682 USER MOD Set 8.2: A 74 GLN : amide:sc= 0.285 K(o=0.97,f=-7.2!) USER MOD Set 9.1: A 13 CYS SG : rot 149:sc= -4.52! USER MOD Set 9.2: B 13 CYS SG : rot -44:sc= -5.31! USER MOD Single : A 1 MET CE :methyl -163:sc= -0.091 (180deg=-0.481) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0287) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -46:sc= 0.574 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0453 USER MOD Single : A 8 THR OG1 : rot -147:sc= -1.13! USER MOD Single : A 10 THR OG1 : rot 151:sc= -2.08! USER MOD Single : A 16 SER OG : rot 82:sc= 1.25 USER MOD Single : A 22 GLN : amide:sc= -2.1 K(o=-2.1,f=-8.3!) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.15) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0526) USER MOD Single : A 30 TYR OH : rot 150:sc= -0.18 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 0.442 (180deg=0.11) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -109:sc= -1.19 (180deg=-2.77!) USER MOD Single : A 44 ASN : amide:sc= 0.405 K(o=0.41,f=-0.27) USER MOD Single : A 51 THR OG1 : rot 123:sc= -0.145 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 54 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -178:sc= -0.132 (180deg=-0.169) USER MOD Single : A 64 MET CE :methyl 171:sc= -2.03 (180deg=-2.73) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 1.13 (180deg=0.603) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0323) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0207 K(o=-0.021,f=-0.84) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.219 K(o=0.22,f=-1.5!) USER MOD Single : A 91 CYS SG : rot 70:sc= 0.835 USER MOD Single : A 94 SER OG : rot 62:sc= 1.19 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.0478 (180deg=-0.318) USER MOD Single : A 101 SER OG : rot -55:sc= 0.155 USER MOD Single : A 102 GLN : amide:sc= 0.332 X(o=0.33,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -162:sc= -0.0802 (180deg=-0.442) USER MOD Single : B 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0452) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot -30:sc= 0.503 USER MOD Single : B 6 SER OG : rot 180:sc= 0.0553 USER MOD Single : B 8 THR OG1 : rot -128:sc= -1.16! USER MOD Single : B 10 THR OG1 : rot 150:sc= -2.02! USER MOD Single : B 16 SER OG : rot 86:sc= 1.23 USER MOD Single : B 22 GLN : amide:sc= -1.98 K(o=-2,f=-8.2!) USER MOD Single : B 23 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.11) USER MOD Single : B 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0646) USER MOD Single : B 30 TYR OH : rot 130:sc= -0.234 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0191 USER MOD Single : B 36 LYS NZ :NH3+ -155:sc= 0.417 (180deg=0.0855) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 MET CE :methyl -111:sc= -1.17 (180deg=-2.81!) USER MOD Single : B 44 ASN : amide:sc= 0.417 K(o=0.42,f=-0.24) USER MOD Single : B 51 THR OG1 : rot 115:sc= -0.0758 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 54 GLN : amide:sc= -1.33 K(o=-1.3,f=-6.1!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 MET CE :methyl -177:sc= -0.122 (180deg=-0.16) USER MOD Single : B 64 MET CE :methyl 168:sc= -2.11 (180deg=-2.82) USER MOD Single : B 65 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0.694) USER MOD Single : B 66 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0298) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= -0.012 K(o=-0.012,f=-0.78) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 82 ASN : amide:sc= 0.272 K(o=0.27,f=-1.6!) USER MOD Single : B 91 CYS SG : rot 71:sc= 0.845 USER MOD Single : B 94 SER OG : rot 89:sc= 1.26 USER MOD Single : B 97 LYS NZ :NH3+ 165:sc= -0.0475 (180deg=-0.294) USER MOD Single : B 101 SER OG : rot -55:sc= 0.162 USER MOD Single : B 102 GLN : amide:sc= 0.393 X(o=0.39,f=0) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.115 18.689 17.229 1.00 7.63 N ATOM 2 CA MET A 1 -18.979 18.794 16.288 1.00 7.05 C ATOM 3 C MET A 1 -18.297 17.444 16.128 1.00 6.84 C ATOM 4 O MET A 1 -17.338 17.132 16.835 1.00 7.12 O ATOM 5 CB MET A 1 -17.965 19.835 16.776 1.00 7.11 C ATOM 6 CG MET A 1 -18.496 21.261 16.780 1.00 7.39 C ATOM 7 SD MET A 1 -19.006 21.821 15.142 1.00 7.66 S ATOM 8 CE MET A 1 -17.452 21.753 14.252 1.00 7.91 C ATOM 0 H1 MET A 1 -20.632 19.591 17.251 1.00 7.63 H new ATOM 0 H2 MET A 1 -20.755 17.930 16.918 1.00 7.63 H new ATOM 0 H3 MET A 1 -19.758 18.472 18.181 1.00 7.63 H new ATOM 0 HA MET A 1 -19.368 19.112 15.321 1.00 7.05 H new ATOM 0 HB2 MET A 1 -17.648 19.573 17.786 1.00 7.11 H new ATOM 0 HB3 MET A 1 -17.079 19.790 16.142 1.00 7.11 H new ATOM 0 HG2 MET A 1 -19.344 21.326 17.462 1.00 7.39 H new ATOM 0 HG3 MET A 1 -17.726 21.930 17.164 1.00 7.39 H new ATOM 0 HE1 MET A 1 -17.530 22.341 13.338 1.00 7.91 H new ATOM 0 HE2 MET A 1 -16.657 22.158 14.877 1.00 7.91 H new ATOM 0 HE3 MET A 1 -17.223 20.718 13.999 1.00 7.91 H new ATOM 20 N ALA A 2 -18.795 16.643 15.198 1.00 6.67 N ATOM 21 CA ALA A 2 -18.235 15.327 14.941 1.00 6.74 C ATOM 22 C ALA A 2 -17.099 15.421 13.930 1.00 6.14 C ATOM 23 O ALA A 2 -17.219 14.967 12.791 1.00 6.28 O ATOM 24 CB ALA A 2 -19.316 14.376 14.449 1.00 7.31 C ATOM 0 H ALA A 2 -19.590 16.884 14.606 1.00 6.67 H new ATOM 0 HA ALA A 2 -17.832 14.933 15.874 1.00 6.74 H new ATOM 0 HB1 ALA A 2 -18.880 13.395 14.261 1.00 7.31 H new ATOM 0 HB2 ALA A 2 -20.095 14.288 15.206 1.00 7.31 H new ATOM 0 HB3 ALA A 2 -19.749 14.763 13.527 1.00 7.31 H new ATOM 30 N LYS A 3 -15.999 16.025 14.352 1.00 5.79 N ATOM 31 CA LYS A 3 -14.845 16.198 13.489 1.00 5.52 C ATOM 32 C LYS A 3 -14.000 14.930 13.490 1.00 5.00 C ATOM 33 O LYS A 3 -12.996 14.834 14.201 1.00 5.14 O ATOM 34 CB LYS A 3 -14.004 17.390 13.950 1.00 6.00 C ATOM 35 CG LYS A 3 -12.872 17.741 12.997 1.00 6.27 C ATOM 36 CD LYS A 3 -11.919 18.759 13.603 1.00 6.96 C ATOM 37 CE LYS A 3 -11.183 18.189 14.805 1.00 7.45 C ATOM 38 NZ LYS A 3 -10.166 19.132 15.331 1.00 7.92 N ATOM 0 H LYS A 3 -15.883 16.405 15.292 1.00 5.79 H new ATOM 0 HA LYS A 3 -15.195 16.393 12.475 1.00 5.52 H new ATOM 0 HB2 LYS A 3 -14.653 18.258 14.066 1.00 6.00 H new ATOM 0 HB3 LYS A 3 -13.586 17.171 14.932 1.00 6.00 H new ATOM 0 HG2 LYS A 3 -12.321 16.837 12.738 1.00 6.27 H new ATOM 0 HG3 LYS A 3 -13.287 18.138 12.070 1.00 6.27 H new ATOM 0 HD2 LYS A 3 -11.197 19.076 12.850 1.00 6.96 H new ATOM 0 HD3 LYS A 3 -12.476 19.646 13.904 1.00 6.96 H new ATOM 0 HE2 LYS A 3 -11.900 17.953 15.591 1.00 7.45 H new ATOM 0 HE3 LYS A 3 -10.699 17.253 14.524 1.00 7.45 H new ATOM 0 HZ1 LYS A 3 -9.687 18.705 16.150 1.00 7.92 H new ATOM 0 HZ2 LYS A 3 -9.467 19.337 14.589 1.00 7.92 H new ATOM 0 HZ3 LYS A 3 -10.630 20.016 15.623 1.00 7.92 H new ATOM 52 N ILE A 4 -14.420 13.953 12.709 1.00 4.74 N ATOM 53 CA ILE A 4 -13.702 12.697 12.618 1.00 4.41 C ATOM 54 C ILE A 4 -12.679 12.765 11.491 1.00 3.66 C ATOM 55 O ILE A 4 -12.919 12.296 10.378 1.00 3.90 O ATOM 56 CB ILE A 4 -14.660 11.510 12.385 1.00 5.14 C ATOM 57 CG1 ILE A 4 -15.799 11.543 13.407 1.00 5.77 C ATOM 58 CG2 ILE A 4 -13.901 10.190 12.475 1.00 5.58 C ATOM 59 CD1 ILE A 4 -16.836 10.464 13.197 1.00 6.53 C ATOM 0 H ILE A 4 -15.256 14.006 12.128 1.00 4.74 H new ATOM 0 HA ILE A 4 -13.192 12.534 13.567 1.00 4.41 H new ATOM 0 HB ILE A 4 -15.086 11.595 11.385 1.00 5.14 H new ATOM 0 HG12 ILE A 4 -15.380 11.442 14.408 1.00 5.77 H new ATOM 0 HG13 ILE A 4 -16.287 12.517 13.363 1.00 5.77 H new ATOM 0 HG21 ILE A 4 -14.590 9.362 12.309 1.00 5.58 H new ATOM 0 HG22 ILE A 4 -13.118 10.168 11.717 1.00 5.58 H new ATOM 0 HG23 ILE A 4 -13.452 10.095 13.464 1.00 5.58 H new ATOM 0 HD11 ILE A 4 -17.611 10.551 13.959 1.00 6.53 H new ATOM 0 HD12 ILE A 4 -17.284 10.577 12.210 1.00 6.53 H new ATOM 0 HD13 ILE A 4 -16.363 9.485 13.271 1.00 6.53 H new ATOM 71 N SER A 5 -11.551 13.391 11.780 1.00 3.24 N ATOM 72 CA SER A 5 -10.468 13.495 10.816 1.00 2.93 C ATOM 73 C SER A 5 -9.284 12.661 11.290 1.00 2.01 C ATOM 74 O SER A 5 -8.190 12.733 10.728 1.00 2.25 O ATOM 75 CB SER A 5 -10.062 14.963 10.627 1.00 3.70 C ATOM 76 OG SER A 5 -9.077 15.109 9.613 1.00 4.46 O ATOM 0 H SER A 5 -11.361 13.836 12.678 1.00 3.24 H new ATOM 0 HA SER A 5 -10.804 13.113 9.852 1.00 2.93 H new ATOM 0 HB2 SER A 5 -10.941 15.553 10.368 1.00 3.70 H new ATOM 0 HB3 SER A 5 -9.678 15.358 11.567 1.00 3.70 H new ATOM 0 HG SER A 5 -8.372 14.440 9.743 1.00 4.46 H new ATOM 82 N SER A 6 -9.519 11.873 12.331 1.00 1.51 N ATOM 83 CA SER A 6 -8.509 10.987 12.881 1.00 1.03 C ATOM 84 C SER A 6 -8.128 9.913 11.861 1.00 0.82 C ATOM 85 O SER A 6 -8.953 9.518 11.034 1.00 0.85 O ATOM 86 CB SER A 6 -9.051 10.357 14.167 1.00 1.67 C ATOM 87 OG SER A 6 -10.417 9.999 14.017 1.00 2.25 O ATOM 0 H SER A 6 -10.416 11.832 12.816 1.00 1.51 H new ATOM 0 HA SER A 6 -7.607 11.554 13.113 1.00 1.03 H new ATOM 0 HB2 SER A 6 -8.465 9.474 14.420 1.00 1.67 H new ATOM 0 HB3 SER A 6 -8.943 11.058 14.994 1.00 1.67 H new ATOM 0 HG SER A 6 -10.743 9.597 14.849 1.00 2.25 H new ATOM 93 N PRO A 7 -6.876 9.432 11.898 1.00 0.69 N ATOM 94 CA PRO A 7 -6.379 8.460 10.924 1.00 0.54 C ATOM 95 C PRO A 7 -6.912 7.061 11.187 1.00 0.44 C ATOM 96 O PRO A 7 -7.043 6.627 12.335 1.00 0.56 O ATOM 97 CB PRO A 7 -4.873 8.496 11.147 1.00 0.61 C ATOM 98 CG PRO A 7 -4.767 8.753 12.601 1.00 0.75 C ATOM 99 CD PRO A 7 -5.837 9.774 12.890 1.00 0.82 C ATOM 0 HA PRO A 7 -6.687 8.700 9.906 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.399 7.555 10.866 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.395 9.281 10.561 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.925 7.841 13.177 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.779 9.130 12.865 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -6.209 9.695 13.912 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -5.472 10.793 12.761 1.00 0.82 H new ATOM 107 N THR A 8 -7.206 6.362 10.116 1.00 0.34 N ATOM 108 CA THR A 8 -7.692 5.002 10.196 1.00 0.27 C ATOM 109 C THR A 8 -6.543 4.049 9.951 1.00 0.28 C ATOM 110 O THR A 8 -5.391 4.478 9.918 1.00 0.35 O ATOM 111 CB THR A 8 -8.758 4.772 9.133 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.128 4.792 7.853 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.818 5.856 9.224 1.00 0.32 C ATOM 0 H THR A 8 -7.116 6.718 9.165 1.00 0.34 H new ATOM 0 HA THR A 8 -8.119 4.830 11.184 1.00 0.27 H new ATOM 0 HB THR A 8 -9.244 3.809 9.286 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.745 5.167 7.190 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.578 5.687 8.461 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.281 5.830 10.210 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.356 6.831 9.066 1.00 0.32 H new ATOM 121 N GLU A 9 -6.858 2.776 9.757 1.00 0.28 N ATOM 122 CA GLU A 9 -5.851 1.785 9.407 1.00 0.33 C ATOM 123 C GLU A 9 -5.084 2.238 8.174 1.00 0.36 C ATOM 124 O GLU A 9 -3.871 2.364 8.209 1.00 0.52 O ATOM 125 CB GLU A 9 -6.509 0.412 9.170 1.00 0.40 C ATOM 126 CG GLU A 9 -5.568 -0.667 8.632 1.00 0.56 C ATOM 127 CD GLU A 9 -5.228 -0.479 7.168 1.00 1.73 C ATOM 128 OE1 GLU A 9 -6.099 -0.013 6.423 1.00 2.48 O ATOM 129 OE2 GLU A 9 -4.088 -0.767 6.779 1.00 2.47 O ATOM 0 H GLU A 9 -7.805 2.405 9.836 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.149 1.685 10.234 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -6.939 0.064 10.109 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.334 0.537 8.469 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -4.648 -0.663 9.216 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -6.029 -1.645 8.770 1.00 0.56 H new ATOM 136 N THR A 10 -5.799 2.511 7.101 1.00 0.26 N ATOM 137 CA THR A 10 -5.167 2.789 5.822 1.00 0.27 C ATOM 138 C THR A 10 -4.382 4.073 5.902 1.00 0.27 C ATOM 139 O THR A 10 -3.268 4.158 5.407 1.00 0.31 O ATOM 140 CB THR A 10 -6.185 2.839 4.652 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.901 3.941 3.782 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.622 2.941 5.152 1.00 0.25 C ATOM 0 H THR A 10 -6.818 2.547 7.087 1.00 0.26 H new ATOM 0 HA THR A 10 -4.488 1.963 5.609 1.00 0.27 H new ATOM 0 HB THR A 10 -6.083 1.904 4.100 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.193 3.723 2.872 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.302 2.973 4.301 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.855 2.074 5.770 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.738 3.849 5.744 1.00 0.25 H new ATOM 150 N GLU A 11 -4.939 5.051 6.584 1.00 0.25 N ATOM 151 CA GLU A 11 -4.292 6.338 6.700 1.00 0.27 C ATOM 152 C GLU A 11 -3.003 6.217 7.495 1.00 0.30 C ATOM 153 O GLU A 11 -1.967 6.731 7.087 1.00 0.32 O ATOM 154 CB GLU A 11 -5.241 7.337 7.339 1.00 0.29 C ATOM 155 CG GLU A 11 -6.602 7.327 6.679 1.00 0.41 C ATOM 156 CD GLU A 11 -7.491 8.466 7.130 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.146 9.130 8.127 1.00 1.71 O ATOM 158 OE2 GLU A 11 -8.541 8.696 6.496 1.00 1.85 O ATOM 0 H GLU A 11 -5.836 4.979 7.065 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.034 6.698 5.704 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.350 7.107 8.399 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.813 8.337 7.273 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.475 7.380 5.598 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.097 6.380 6.896 1.00 0.41 H new ATOM 165 N ARG A 12 -3.059 5.494 8.604 1.00 0.35 N ATOM 166 CA ARG A 12 -1.878 5.295 9.436 1.00 0.42 C ATOM 167 C ARG A 12 -0.876 4.403 8.719 1.00 0.43 C ATOM 168 O ARG A 12 0.331 4.571 8.854 1.00 0.47 O ATOM 169 CB ARG A 12 -2.248 4.708 10.815 1.00 0.48 C ATOM 170 CG ARG A 12 -2.905 3.326 10.794 1.00 0.49 C ATOM 171 CD ARG A 12 -1.908 2.205 10.559 1.00 0.56 C ATOM 172 NE ARG A 12 -2.518 0.884 10.708 1.00 1.08 N ATOM 173 CZ ARG A 12 -2.367 0.100 11.774 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.655 0.516 12.814 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.925 -1.104 11.797 1.00 1.95 N ATOM 0 H ARG A 12 -3.903 5.037 8.948 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.420 6.269 9.610 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.343 4.650 11.419 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.922 5.403 11.316 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.418 3.158 11.741 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.664 3.301 10.012 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.488 2.299 9.558 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.081 2.303 11.262 1.00 0.56 H new ATOM 0 HE ARG A 12 -3.099 0.540 9.943 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -1.221 1.439 12.799 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -1.542 -0.087 13.629 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -3.470 -1.429 10.998 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -2.809 -1.704 12.614 1.00 1.95 H new ATOM 189 N CYS A 13 -1.400 3.471 7.941 1.00 0.42 N ATOM 190 CA CYS A 13 -0.586 2.501 7.235 1.00 0.44 C ATOM 191 C CYS A 13 0.099 3.171 6.063 1.00 0.30 C ATOM 192 O CYS A 13 1.246 2.879 5.739 1.00 0.29 O ATOM 193 CB CYS A 13 -1.463 1.320 6.802 1.00 0.57 C ATOM 194 SG CYS A 13 -1.578 0.018 8.048 1.00 2.16 S ATOM 0 H CYS A 13 -2.402 3.367 7.782 1.00 0.42 H new ATOM 0 HA CYS A 13 0.194 2.110 7.888 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.465 1.685 6.575 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.061 0.897 5.881 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.740 -0.559 7.966 1.00 2.16 H new ATOM 200 N ILE A 14 -0.604 4.112 5.470 1.00 0.26 N ATOM 201 CA ILE A 14 -0.055 4.944 4.425 1.00 0.24 C ATOM 202 C ILE A 14 1.113 5.781 4.949 1.00 0.21 C ATOM 203 O ILE A 14 2.144 5.918 4.287 1.00 0.23 O ATOM 204 CB ILE A 14 -1.147 5.872 3.857 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.059 5.116 2.892 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.537 7.082 3.180 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.322 5.872 2.574 1.00 0.27 C ATOM 0 H ILE A 14 -1.575 4.321 5.701 1.00 0.26 H new ATOM 0 HA ILE A 14 0.314 4.293 3.632 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.752 6.223 4.693 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.517 4.916 1.967 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.318 4.150 3.325 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.331 7.719 2.789 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.055 7.643 3.903 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.104 6.756 2.361 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.932 5.288 1.884 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.881 6.049 3.493 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.068 6.827 2.114 1.00 0.27 H new ATOM 219 N GLU A 15 0.953 6.313 6.156 1.00 0.24 N ATOM 220 CA GLU A 15 1.960 7.174 6.752 1.00 0.28 C ATOM 221 C GLU A 15 3.116 6.342 7.225 1.00 0.30 C ATOM 222 O GLU A 15 4.242 6.817 7.349 1.00 0.34 O ATOM 223 CB GLU A 15 1.392 7.922 7.940 1.00 0.32 C ATOM 224 CG GLU A 15 0.159 8.737 7.603 1.00 0.33 C ATOM 225 CD GLU A 15 -0.348 9.531 8.784 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.799 8.918 9.775 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.288 10.777 8.732 1.00 1.06 O ATOM 0 H GLU A 15 0.131 6.160 6.740 1.00 0.24 H new ATOM 0 HA GLU A 15 2.286 7.889 5.997 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.143 7.208 8.725 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.158 8.585 8.343 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.390 9.418 6.783 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.629 8.071 7.252 1.00 0.33 H new ATOM 234 N SER A 16 2.814 5.101 7.508 1.00 0.31 N ATOM 235 CA SER A 16 3.815 4.173 7.928 1.00 0.38 C ATOM 236 C SER A 16 4.680 3.778 6.742 1.00 0.29 C ATOM 237 O SER A 16 5.901 3.675 6.873 1.00 0.28 O ATOM 238 CB SER A 16 3.157 2.973 8.588 1.00 0.54 C ATOM 239 OG SER A 16 2.472 3.352 9.774 1.00 0.97 O ATOM 0 H SER A 16 1.872 4.714 7.452 1.00 0.31 H new ATOM 0 HA SER A 16 4.468 4.635 8.668 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.457 2.510 7.892 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.913 2.224 8.825 1.00 0.54 H new ATOM 0 HG SER A 16 1.589 3.708 9.542 1.00 0.97 H new ATOM 245 N LEU A 17 4.054 3.591 5.580 1.00 0.27 N ATOM 246 CA LEU A 17 4.807 3.417 4.347 1.00 0.28 C ATOM 247 C LEU A 17 5.642 4.658 4.120 1.00 0.27 C ATOM 248 O LEU A 17 6.793 4.572 3.738 1.00 0.32 O ATOM 249 CB LEU A 17 3.889 3.189 3.145 1.00 0.29 C ATOM 250 CG LEU A 17 2.855 2.082 3.321 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.895 2.049 2.142 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.520 0.719 3.508 1.00 0.46 C ATOM 0 H LEU A 17 3.040 3.557 5.471 1.00 0.27 H new ATOM 0 HA LEU A 17 5.439 2.534 4.446 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.367 4.120 2.924 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.505 2.955 2.277 1.00 0.29 H new ATOM 0 HG LEU A 17 2.288 2.303 4.225 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.166 1.252 2.289 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.377 3.005 2.068 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.453 1.866 1.224 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.753 -0.046 3.630 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.127 0.487 2.633 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.154 0.742 4.394 1.00 0.46 H new ATOM 264 N ILE A 18 5.050 5.818 4.380 1.00 0.27 N ATOM 265 CA ILE A 18 5.786 7.072 4.337 1.00 0.30 C ATOM 266 C ILE A 18 7.030 6.991 5.222 1.00 0.28 C ATOM 267 O ILE A 18 8.122 7.367 4.804 1.00 0.30 O ATOM 268 CB ILE A 18 4.912 8.271 4.777 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.845 8.574 3.725 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.780 9.495 5.028 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.953 9.744 4.082 1.00 1.37 C ATOM 0 H ILE A 18 4.064 5.914 4.622 1.00 0.27 H new ATOM 0 HA ILE A 18 6.084 7.235 3.301 1.00 0.30 H new ATOM 0 HB ILE A 18 4.408 8.008 5.707 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.334 8.779 2.773 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.227 7.688 3.582 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.151 10.330 5.337 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.502 9.274 5.814 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.310 9.759 4.113 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.221 9.899 3.289 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.435 9.534 5.018 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.560 10.642 4.196 1.00 1.37 H new ATOM 283 N ALA A 19 6.853 6.472 6.430 1.00 0.25 N ATOM 284 CA ALA A 19 7.940 6.355 7.391 1.00 0.25 C ATOM 285 C ALA A 19 9.069 5.470 6.864 1.00 0.23 C ATOM 286 O ALA A 19 10.208 5.925 6.732 1.00 0.28 O ATOM 287 CB ALA A 19 7.411 5.819 8.711 1.00 0.28 C ATOM 0 H ALA A 19 5.957 6.122 6.769 1.00 0.25 H new ATOM 0 HA ALA A 19 8.356 7.350 7.550 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.231 5.735 9.424 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.657 6.500 9.104 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.965 4.837 8.553 1.00 0.28 H new ATOM 293 N VAL A 20 8.750 4.214 6.552 1.00 0.20 N ATOM 294 CA VAL A 20 9.754 3.266 6.071 1.00 0.22 C ATOM 295 C VAL A 20 10.339 3.698 4.733 1.00 0.23 C ATOM 296 O VAL A 20 11.558 3.669 4.533 1.00 0.27 O ATOM 297 CB VAL A 20 9.192 1.835 5.937 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.835 1.854 5.263 1.00 0.87 C ATOM 299 CG2 VAL A 20 10.155 0.945 5.180 1.00 0.87 C ATOM 0 H VAL A 20 7.808 3.831 6.623 1.00 0.20 H new ATOM 0 HA VAL A 20 10.542 3.260 6.824 1.00 0.22 H new ATOM 0 HB VAL A 20 9.070 1.424 6.939 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.457 0.835 5.178 1.00 0.87 H new ATOM 0 HG12 VAL A 20 7.142 2.450 5.857 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.929 2.290 4.268 1.00 0.87 H new ATOM 0 HG21 VAL A 20 9.736 -0.058 5.099 1.00 0.87 H new ATOM 0 HG22 VAL A 20 10.319 1.352 4.182 1.00 0.87 H new ATOM 0 HG23 VAL A 20 11.104 0.900 5.713 1.00 0.87 H new ATOM 309 N PHE A 21 9.476 4.104 3.820 1.00 0.23 N ATOM 310 CA PHE A 21 9.920 4.493 2.492 1.00 0.25 C ATOM 311 C PHE A 21 10.897 5.655 2.572 1.00 0.29 C ATOM 312 O PHE A 21 11.960 5.624 1.965 1.00 0.35 O ATOM 313 CB PHE A 21 8.732 4.881 1.618 1.00 0.26 C ATOM 314 CG PHE A 21 7.943 3.725 1.068 1.00 0.91 C ATOM 315 CD1 PHE A 21 7.860 2.521 1.749 1.00 1.85 C ATOM 316 CD2 PHE A 21 7.269 3.854 -0.131 1.00 1.59 C ATOM 317 CE1 PHE A 21 7.121 1.472 1.244 1.00 2.48 C ATOM 318 CE2 PHE A 21 6.528 2.811 -0.637 1.00 2.17 C ATOM 319 CZ PHE A 21 6.453 1.619 0.049 1.00 2.40 C ATOM 0 H PHE A 21 8.470 4.173 3.971 1.00 0.23 H new ATOM 0 HA PHE A 21 10.424 3.637 2.044 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.063 5.514 2.201 1.00 0.26 H new ATOM 0 HB3 PHE A 21 9.094 5.483 0.785 1.00 0.26 H new ATOM 0 HD1 PHE A 21 8.381 2.403 2.688 1.00 1.85 H new ATOM 0 HD2 PHE A 21 7.324 4.784 -0.677 1.00 1.59 H new ATOM 0 HE1 PHE A 21 7.066 0.538 1.784 1.00 2.48 H new ATOM 0 HE2 PHE A 21 6.004 2.927 -1.574 1.00 2.17 H new ATOM 0 HZ PHE A 21 5.871 0.801 -0.350 1.00 2.40 H new ATOM 329 N GLN A 22 10.549 6.656 3.362 1.00 0.30 N ATOM 330 CA GLN A 22 11.321 7.885 3.424 1.00 0.37 C ATOM 331 C GLN A 22 12.615 7.701 4.218 1.00 0.36 C ATOM 332 O GLN A 22 13.584 8.424 3.994 1.00 0.44 O ATOM 333 CB GLN A 22 10.447 8.998 4.013 1.00 0.47 C ATOM 334 CG GLN A 22 11.059 10.391 3.954 1.00 1.12 C ATOM 335 CD GLN A 22 11.952 10.703 5.137 1.00 1.98 C ATOM 336 OE1 GLN A 22 11.741 10.197 6.239 1.00 2.68 O ATOM 337 NE2 GLN A 22 12.955 11.538 4.919 1.00 2.66 N ATOM 0 H GLN A 22 9.732 6.641 3.973 1.00 0.30 H new ATOM 0 HA GLN A 22 11.621 8.167 2.415 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.495 9.012 3.482 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.228 8.757 5.053 1.00 0.47 H new ATOM 0 HG2 GLN A 22 11.638 10.488 3.035 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.259 11.130 3.906 1.00 1.12 H new ATOM 0 HE21 GLN A 22 13.095 11.936 3.990 1.00 2.66 H new ATOM 0 HE22 GLN A 22 13.588 11.784 5.680 1.00 2.66 H new ATOM 346 N LYS A 23 12.656 6.734 5.129 1.00 0.35 N ATOM 347 CA LYS A 23 13.867 6.523 5.913 1.00 0.39 C ATOM 348 C LYS A 23 14.957 5.890 5.053 1.00 0.40 C ATOM 349 O LYS A 23 16.133 6.236 5.174 1.00 0.49 O ATOM 350 CB LYS A 23 13.589 5.680 7.165 1.00 0.41 C ATOM 351 CG LYS A 23 13.190 4.256 6.901 1.00 0.42 C ATOM 352 CD LYS A 23 12.608 3.645 8.152 1.00 0.63 C ATOM 353 CE LYS A 23 12.529 2.143 8.037 1.00 0.63 C ATOM 354 NZ LYS A 23 11.913 1.510 9.231 1.00 0.91 N ATOM 0 H LYS A 23 11.886 6.099 5.339 1.00 0.35 H new ATOM 0 HA LYS A 23 14.220 7.497 6.252 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.482 5.680 7.790 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.798 6.162 7.740 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.459 4.218 6.093 1.00 0.42 H new ATOM 0 HG3 LYS A 23 14.056 3.681 6.574 1.00 0.42 H new ATOM 0 HD2 LYS A 23 13.221 3.915 9.012 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.613 4.052 8.330 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.950 1.880 7.152 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.532 1.740 7.893 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.558 0.565 8.979 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.625 1.423 9.984 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 11.124 2.098 9.567 1.00 0.91 H new ATOM 368 N TYR A 24 14.568 4.982 4.166 1.00 0.36 N ATOM 369 CA TYR A 24 15.530 4.344 3.280 1.00 0.39 C ATOM 370 C TYR A 24 15.758 5.164 2.018 1.00 0.34 C ATOM 371 O TYR A 24 16.896 5.371 1.604 1.00 0.40 O ATOM 372 CB TYR A 24 15.097 2.928 2.923 1.00 0.46 C ATOM 373 CG TYR A 24 15.397 1.919 4.005 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.708 1.555 4.272 1.00 1.67 C ATOM 375 CD2 TYR A 24 14.386 1.330 4.751 1.00 1.52 C ATOM 376 CE1 TYR A 24 17.007 0.632 5.252 1.00 1.99 C ATOM 377 CE2 TYR A 24 14.678 0.403 5.737 1.00 1.83 C ATOM 378 CZ TYR A 24 15.993 0.059 5.982 1.00 1.72 C ATOM 379 OH TYR A 24 16.293 -0.863 6.958 1.00 2.15 O ATOM 0 H TYR A 24 13.603 4.674 4.043 1.00 0.36 H new ATOM 0 HA TYR A 24 16.475 4.288 3.820 1.00 0.39 H new ATOM 0 HB2 TYR A 24 14.026 2.924 2.719 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.598 2.624 2.004 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.509 2.002 3.702 1.00 1.67 H new ATOM 0 HD2 TYR A 24 13.357 1.598 4.560 1.00 1.52 H new ATOM 0 HE1 TYR A 24 18.034 0.360 5.445 1.00 1.99 H new ATOM 0 HE2 TYR A 24 13.882 -0.048 6.311 1.00 1.83 H new ATOM 0 HH TYR A 24 15.684 -1.627 6.884 1.00 2.15 H new ATOM 389 N ALA A 25 14.679 5.645 1.411 1.00 0.29 N ATOM 390 CA ALA A 25 14.787 6.462 0.207 1.00 0.34 C ATOM 391 C ALA A 25 15.415 7.809 0.542 1.00 0.47 C ATOM 392 O ALA A 25 15.880 8.536 -0.335 1.00 0.58 O ATOM 393 CB ALA A 25 13.422 6.671 -0.429 1.00 0.37 C ATOM 0 H ALA A 25 13.724 5.485 1.730 1.00 0.29 H new ATOM 0 HA ALA A 25 15.423 5.937 -0.506 1.00 0.34 H new ATOM 0 HB1 ALA A 25 13.528 7.283 -1.325 1.00 0.37 H new ATOM 0 HB2 ALA A 25 12.994 5.705 -0.698 1.00 0.37 H new ATOM 0 HB3 ALA A 25 12.764 7.175 0.279 1.00 0.37 H new ATOM 399 N GLY A 26 15.414 8.131 1.828 1.00 0.49 N ATOM 400 CA GLY A 26 15.999 9.374 2.297 1.00 0.64 C ATOM 401 C GLY A 26 17.511 9.376 2.209 1.00 0.75 C ATOM 402 O GLY A 26 18.155 10.407 2.392 1.00 0.96 O ATOM 0 H GLY A 26 15.014 7.547 2.563 1.00 0.49 H new ATOM 0 HA2 GLY A 26 15.603 10.202 1.709 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.699 9.545 3.331 1.00 0.64 H new ATOM 406 N LYS A 27 18.076 8.214 1.920 1.00 0.69 N ATOM 407 CA LYS A 27 19.518 8.064 1.782 1.00 0.82 C ATOM 408 C LYS A 27 19.978 8.532 0.406 1.00 0.95 C ATOM 409 O LYS A 27 21.173 8.701 0.158 1.00 1.11 O ATOM 410 CB LYS A 27 19.895 6.600 1.990 1.00 0.77 C ATOM 411 CG LYS A 27 19.540 6.078 3.377 1.00 0.81 C ATOM 412 CD LYS A 27 19.598 4.560 3.444 1.00 0.85 C ATOM 413 CE LYS A 27 19.263 4.045 4.835 1.00 1.11 C ATOM 414 NZ LYS A 27 20.312 4.389 5.829 1.00 1.72 N ATOM 0 H LYS A 27 17.551 7.351 1.775 1.00 0.69 H new ATOM 0 HA LYS A 27 20.012 8.679 2.534 1.00 0.82 H new ATOM 0 HB2 LYS A 27 19.390 5.992 1.240 1.00 0.77 H new ATOM 0 HB3 LYS A 27 20.966 6.481 1.828 1.00 0.77 H new ATOM 0 HG2 LYS A 27 20.227 6.500 4.110 1.00 0.81 H new ATOM 0 HG3 LYS A 27 18.539 6.415 3.647 1.00 0.81 H new ATOM 0 HD2 LYS A 27 18.900 4.137 2.722 1.00 0.85 H new ATOM 0 HD3 LYS A 27 20.594 4.221 3.161 1.00 0.85 H new ATOM 0 HE2 LYS A 27 18.309 4.464 5.156 1.00 1.11 H new ATOM 0 HE3 LYS A 27 19.139 2.963 4.800 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 20.120 3.892 6.722 1.00 1.72 H new ATOM 0 HZ2 LYS A 27 21.243 4.101 5.465 1.00 1.72 H new ATOM 0 HZ3 LYS A 27 20.309 5.415 5.996 1.00 1.72 H new ATOM 428 N ASP A 28 19.017 8.747 -0.480 1.00 1.00 N ATOM 429 CA ASP A 28 19.301 9.126 -1.862 1.00 1.19 C ATOM 430 C ASP A 28 19.178 10.641 -2.060 1.00 1.26 C ATOM 431 O ASP A 28 19.002 11.133 -3.175 1.00 1.58 O ATOM 432 CB ASP A 28 18.348 8.371 -2.800 1.00 1.33 C ATOM 433 CG ASP A 28 18.582 8.668 -4.275 1.00 1.65 C ATOM 434 OD1 ASP A 28 19.718 8.458 -4.752 1.00 2.08 O ATOM 435 OD2 ASP A 28 17.630 9.119 -4.964 1.00 2.16 O ATOM 0 H ASP A 28 18.023 8.665 -0.266 1.00 1.00 H new ATOM 0 HA ASP A 28 20.329 8.853 -2.099 1.00 1.19 H new ATOM 0 HB2 ASP A 28 18.459 7.300 -2.632 1.00 1.33 H new ATOM 0 HB3 ASP A 28 17.320 8.629 -2.545 1.00 1.33 H new ATOM 440 N GLY A 29 19.295 11.400 -0.984 1.00 1.15 N ATOM 441 CA GLY A 29 19.164 12.833 -1.119 1.00 1.32 C ATOM 442 C GLY A 29 17.944 13.377 -0.412 1.00 1.51 C ATOM 443 O GLY A 29 17.088 13.991 -1.051 1.00 1.64 O ATOM 0 H GLY A 29 19.474 11.060 -0.039 1.00 1.15 H new ATOM 0 HA2 GLY A 29 20.056 13.314 -0.718 1.00 1.32 H new ATOM 0 HA3 GLY A 29 19.111 13.091 -2.177 1.00 1.32 H new ATOM 447 N TYR A 30 17.828 13.068 0.883 1.00 2.07 N ATOM 448 CA TYR A 30 16.755 13.584 1.742 1.00 2.80 C ATOM 449 C TYR A 30 15.510 12.705 1.623 1.00 2.61 C ATOM 450 O TYR A 30 15.010 12.217 2.638 1.00 3.02 O ATOM 451 CB TYR A 30 16.456 15.056 1.416 1.00 3.68 C ATOM 452 CG TYR A 30 15.586 15.786 2.412 1.00 4.52 C ATOM 453 CD1 TYR A 30 15.758 15.628 3.782 1.00 5.11 C ATOM 454 CD2 TYR A 30 14.610 16.669 1.972 1.00 5.12 C ATOM 455 CE1 TYR A 30 14.978 16.329 4.682 1.00 6.04 C ATOM 456 CE2 TYR A 30 13.828 17.368 2.864 1.00 6.09 C ATOM 457 CZ TYR A 30 14.014 17.198 4.216 1.00 6.45 C ATOM 458 OH TYR A 30 13.234 17.901 5.105 1.00 7.51 O ATOM 0 H TYR A 30 18.478 12.450 1.368 1.00 2.07 H new ATOM 0 HA TYR A 30 17.085 13.547 2.780 1.00 2.80 H new ATOM 0 HB2 TYR A 30 17.403 15.589 1.330 1.00 3.68 H new ATOM 0 HB3 TYR A 30 15.974 15.102 0.439 1.00 3.68 H new ATOM 0 HD1 TYR A 30 16.512 14.947 4.149 1.00 5.11 H new ATOM 0 HD2 TYR A 30 14.461 16.810 0.912 1.00 5.12 H new ATOM 0 HE1 TYR A 30 15.123 16.197 5.744 1.00 6.04 H new ATOM 0 HE2 TYR A 30 13.071 18.048 2.503 1.00 6.09 H new ATOM 0 HH TYR A 30 12.975 18.758 4.706 1.00 7.51 H new ATOM 468 N ASN A 31 15.021 12.522 0.387 1.00 2.62 N ATOM 469 CA ASN A 31 14.008 11.497 0.065 1.00 2.78 C ATOM 470 C ASN A 31 13.455 11.687 -1.344 1.00 1.96 C ATOM 471 O ASN A 31 13.112 12.800 -1.742 1.00 2.53 O ATOM 472 CB ASN A 31 12.840 11.448 1.072 1.00 3.85 C ATOM 473 CG ASN A 31 11.885 12.635 1.014 1.00 4.61 C ATOM 474 OD1 ASN A 31 10.677 12.468 1.195 1.00 4.92 O ATOM 475 ND2 ASN A 31 12.408 13.832 0.800 1.00 5.33 N ATOM 0 H ASN A 31 15.314 13.077 -0.417 1.00 2.62 H new ATOM 0 HA ASN A 31 14.533 10.544 0.129 1.00 2.78 H new ATOM 0 HB2 ASN A 31 12.270 10.535 0.900 1.00 3.85 H new ATOM 0 HB3 ASN A 31 13.252 11.382 2.079 1.00 3.85 H new ATOM 0 HD21 ASN A 31 11.806 14.655 0.781 1.00 5.33 H new ATOM 0 HD22 ASN A 31 13.413 13.931 0.654 1.00 5.33 H new ATOM 482 N TYR A 32 13.396 10.592 -2.095 1.00 1.18 N ATOM 483 CA TYR A 32 12.773 10.578 -3.418 1.00 1.18 C ATOM 484 C TYR A 32 12.739 9.152 -3.954 1.00 0.92 C ATOM 485 O TYR A 32 11.676 8.541 -4.065 1.00 1.05 O ATOM 486 CB TYR A 32 13.522 11.489 -4.397 1.00 1.78 C ATOM 487 CG TYR A 32 12.848 11.616 -5.749 1.00 2.38 C ATOM 488 CD1 TYR A 32 11.735 12.431 -5.917 1.00 2.99 C ATOM 489 CD2 TYR A 32 13.323 10.921 -6.855 1.00 3.08 C ATOM 490 CE1 TYR A 32 11.116 12.549 -7.147 1.00 3.86 C ATOM 491 CE2 TYR A 32 12.709 11.035 -8.088 1.00 3.93 C ATOM 492 CZ TYR A 32 11.608 11.850 -8.229 1.00 4.19 C ATOM 493 OH TYR A 32 10.994 11.966 -9.456 1.00 5.19 O ATOM 0 H TYR A 32 13.777 9.691 -1.807 1.00 1.18 H new ATOM 0 HA TYR A 32 11.756 10.956 -3.320 1.00 1.18 H new ATOM 0 HB2 TYR A 32 13.619 12.481 -3.955 1.00 1.78 H new ATOM 0 HB3 TYR A 32 14.531 11.103 -4.539 1.00 1.78 H new ATOM 0 HD1 TYR A 32 11.347 12.981 -5.072 1.00 2.99 H new ATOM 0 HD2 TYR A 32 14.187 10.281 -6.749 1.00 3.08 H new ATOM 0 HE1 TYR A 32 10.251 13.186 -7.260 1.00 3.86 H new ATOM 0 HE2 TYR A 32 13.091 10.487 -8.937 1.00 3.93 H new ATOM 0 HH TYR A 32 11.465 11.410 -10.111 1.00 5.19 H new ATOM 503 N THR A 33 13.912 8.624 -4.267 1.00 0.67 N ATOM 504 CA THR A 33 14.036 7.265 -4.766 1.00 0.46 C ATOM 505 C THR A 33 14.780 6.398 -3.786 1.00 0.38 C ATOM 506 O THR A 33 15.724 6.828 -3.128 1.00 0.44 O ATOM 507 CB THR A 33 14.764 7.220 -6.121 1.00 0.45 C ATOM 508 OG1 THR A 33 15.349 8.499 -6.410 1.00 0.66 O ATOM 509 CG2 THR A 33 13.818 6.796 -7.243 1.00 0.43 C ATOM 0 H THR A 33 14.798 9.122 -4.183 1.00 0.67 H new ATOM 0 HA THR A 33 13.023 6.886 -4.897 1.00 0.46 H new ATOM 0 HB THR A 33 15.558 6.476 -6.057 1.00 0.45 H new ATOM 0 HG1 THR A 33 16.144 8.628 -5.852 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.361 6.774 -8.188 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.421 5.804 -7.029 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.996 7.508 -7.314 1.00 0.43 H new ATOM 517 N LEU A 34 14.316 5.182 -3.677 1.00 0.32 N ATOM 518 CA LEU A 34 14.985 4.173 -2.919 1.00 0.30 C ATOM 519 C LEU A 34 15.988 3.488 -3.819 1.00 0.31 C ATOM 520 O LEU A 34 15.620 2.760 -4.740 1.00 0.34 O ATOM 521 CB LEU A 34 13.940 3.205 -2.374 1.00 0.30 C ATOM 522 CG LEU A 34 13.804 3.195 -0.863 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.364 2.940 -0.447 1.00 0.45 C ATOM 524 CD2 LEU A 34 14.718 2.148 -0.281 1.00 0.28 C ATOM 0 H LEU A 34 13.453 4.866 -4.119 1.00 0.32 H new ATOM 0 HA LEU A 34 15.526 4.594 -2.071 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.973 3.455 -2.810 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.190 2.198 -2.708 1.00 0.30 H new ATOM 0 HG LEU A 34 14.091 4.174 -0.479 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.294 2.938 0.641 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.724 3.725 -0.850 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.039 1.974 -0.833 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.619 2.142 0.805 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.447 1.169 -0.676 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.749 2.375 -0.550 1.00 0.28 H new ATOM 536 N SER A 35 17.254 3.788 -3.579 1.00 0.32 N ATOM 537 CA SER A 35 18.331 3.321 -4.427 1.00 0.33 C ATOM 538 C SER A 35 18.485 1.808 -4.331 1.00 0.32 C ATOM 539 O SER A 35 17.939 1.184 -3.420 1.00 0.30 O ATOM 540 CB SER A 35 19.630 4.034 -4.053 1.00 0.37 C ATOM 541 OG SER A 35 20.664 3.752 -4.983 1.00 0.40 O ATOM 0 H SER A 35 17.560 4.361 -2.792 1.00 0.32 H new ATOM 0 HA SER A 35 18.090 3.558 -5.463 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.458 5.110 -4.014 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.942 3.725 -3.055 1.00 0.37 H new ATOM 0 HG SER A 35 21.481 4.224 -4.717 1.00 0.40 H new ATOM 547 N LYS A 36 19.241 1.237 -5.272 1.00 0.38 N ATOM 548 CA LYS A 36 19.389 -0.212 -5.401 1.00 0.42 C ATOM 549 C LYS A 36 19.657 -0.857 -4.048 1.00 0.36 C ATOM 550 O LYS A 36 18.868 -1.662 -3.567 1.00 0.35 O ATOM 551 CB LYS A 36 20.531 -0.541 -6.368 1.00 0.53 C ATOM 552 CG LYS A 36 20.651 -2.021 -6.705 1.00 0.62 C ATOM 553 CD LYS A 36 19.473 -2.500 -7.539 1.00 0.66 C ATOM 554 CE LYS A 36 19.554 -3.989 -7.840 1.00 0.61 C ATOM 555 NZ LYS A 36 20.736 -4.339 -8.670 1.00 0.65 N ATOM 0 H LYS A 36 19.768 1.768 -5.966 1.00 0.38 H new ATOM 0 HA LYS A 36 18.455 -0.613 -5.795 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.385 0.020 -7.291 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.471 -0.201 -5.933 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.579 -2.197 -7.249 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.706 -2.602 -5.784 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.544 -2.287 -7.010 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.441 -1.942 -8.475 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.595 -4.544 -6.903 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.646 -4.302 -8.356 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.539 -5.209 -9.205 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.937 -3.563 -9.333 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.560 -4.490 -8.054 1.00 0.65 H new ATOM 569 N THR A 37 20.740 -0.445 -3.418 1.00 0.37 N ATOM 570 CA THR A 37 21.166 -1.023 -2.156 1.00 0.38 C ATOM 571 C THR A 37 20.216 -0.635 -1.030 1.00 0.36 C ATOM 572 O THR A 37 20.061 -1.358 -0.043 1.00 0.38 O ATOM 573 CB THR A 37 22.579 -0.544 -1.804 1.00 0.44 C ATOM 574 OG1 THR A 37 23.468 -0.804 -2.901 1.00 0.48 O ATOM 575 CG2 THR A 37 23.093 -1.239 -0.555 1.00 0.49 C ATOM 0 H THR A 37 21.348 0.297 -3.764 1.00 0.37 H new ATOM 0 HA THR A 37 21.161 -2.107 -2.268 1.00 0.38 H new ATOM 0 HB THR A 37 22.539 0.528 -1.611 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.369 -0.495 -2.672 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.097 -0.882 -0.327 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.431 -1.019 0.282 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.121 -2.316 -0.723 1.00 0.49 H new ATOM 583 N GLU A 38 19.553 0.493 -1.204 1.00 0.34 N ATOM 584 CA GLU A 38 18.696 1.028 -0.169 1.00 0.34 C ATOM 585 C GLU A 38 17.436 0.193 -0.042 1.00 0.34 C ATOM 586 O GLU A 38 16.924 0.019 1.061 1.00 0.48 O ATOM 587 CB GLU A 38 18.354 2.499 -0.420 1.00 0.35 C ATOM 588 CG GLU A 38 19.471 3.474 -0.056 1.00 0.47 C ATOM 589 CD GLU A 38 20.848 3.033 -0.516 1.00 1.27 C ATOM 590 OE1 GLU A 38 21.241 3.371 -1.647 1.00 1.96 O ATOM 591 OE2 GLU A 38 21.547 2.351 0.258 1.00 2.16 O ATOM 0 H GLU A 38 19.593 1.055 -2.054 1.00 0.34 H new ATOM 0 HA GLU A 38 19.242 0.980 0.773 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.104 2.627 -1.473 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.463 2.756 0.152 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.247 4.447 -0.493 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.486 3.607 1.026 1.00 0.47 H new ATOM 598 N PHE A 39 16.934 -0.349 -1.155 1.00 0.29 N ATOM 599 CA PHE A 39 15.786 -1.231 -1.050 1.00 0.31 C ATOM 600 C PHE A 39 16.226 -2.633 -0.759 1.00 0.28 C ATOM 601 O PHE A 39 15.458 -3.430 -0.236 1.00 0.27 O ATOM 602 CB PHE A 39 14.842 -1.214 -2.247 1.00 0.53 C ATOM 603 CG PHE A 39 15.447 -1.334 -3.608 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.900 -2.550 -4.082 1.00 1.76 C ATOM 605 CD2 PHE A 39 15.512 -0.230 -4.433 1.00 1.78 C ATOM 606 CE1 PHE A 39 16.420 -2.657 -5.354 1.00 2.62 C ATOM 607 CE2 PHE A 39 16.021 -0.330 -5.706 1.00 2.66 C ATOM 608 CZ PHE A 39 16.477 -1.543 -6.166 1.00 2.88 C ATOM 0 H PHE A 39 17.291 -0.198 -2.098 1.00 0.29 H new ATOM 0 HA PHE A 39 15.203 -0.834 -0.219 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.129 -2.029 -2.124 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.273 -0.285 -2.213 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.846 -3.424 -3.450 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.158 0.725 -4.074 1.00 1.78 H new ATOM 0 HE1 PHE A 39 16.781 -3.609 -5.714 1.00 2.62 H new ATOM 0 HE2 PHE A 39 16.063 0.541 -6.343 1.00 2.66 H new ATOM 0 HZ PHE A 39 16.880 -1.624 -7.165 1.00 2.88 H new ATOM 618 N LEU A 40 17.455 -2.944 -1.106 1.00 0.33 N ATOM 619 CA LEU A 40 18.042 -4.179 -0.663 1.00 0.37 C ATOM 620 C LEU A 40 18.006 -4.220 0.861 1.00 0.40 C ATOM 621 O LEU A 40 17.570 -5.196 1.461 1.00 0.43 O ATOM 622 CB LEU A 40 19.477 -4.301 -1.156 1.00 0.43 C ATOM 623 CG LEU A 40 19.676 -4.212 -2.674 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.016 -4.800 -3.080 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.537 -4.889 -3.413 1.00 0.46 C ATOM 0 H LEU A 40 18.058 -2.363 -1.688 1.00 0.33 H new ATOM 0 HA LEU A 40 17.474 -5.015 -1.071 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.070 -3.517 -0.685 1.00 0.43 H new ATOM 0 HB3 LEU A 40 19.879 -5.254 -0.812 1.00 0.43 H new ATOM 0 HG LEU A 40 19.674 -3.158 -2.952 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.134 -4.725 -4.161 1.00 1.07 H new ATOM 0 HD12 LEU A 40 21.819 -4.250 -2.589 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.059 -5.848 -2.782 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.703 -4.811 -4.487 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.492 -5.940 -3.128 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.596 -4.403 -3.155 1.00 0.46 H new ATOM 637 N SER A 41 18.452 -3.126 1.471 1.00 0.42 N ATOM 638 CA SER A 41 18.386 -2.961 2.917 1.00 0.52 C ATOM 639 C SER A 41 16.925 -2.912 3.380 1.00 0.45 C ATOM 640 O SER A 41 16.537 -3.655 4.275 1.00 0.47 O ATOM 641 CB SER A 41 19.129 -1.686 3.328 1.00 0.67 C ATOM 642 OG SER A 41 19.275 -1.598 4.734 1.00 1.40 O ATOM 0 H SER A 41 18.867 -2.334 0.980 1.00 0.42 H new ATOM 0 HA SER A 41 18.866 -3.814 3.397 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.112 -1.670 2.858 1.00 0.67 H new ATOM 0 HB3 SER A 41 18.586 -0.814 2.963 1.00 0.67 H new ATOM 0 HG SER A 41 19.754 -0.774 4.962 1.00 1.40 H new ATOM 648 N PHE A 42 16.130 -2.046 2.739 1.00 0.42 N ATOM 649 CA PHE A 42 14.683 -1.946 2.987 1.00 0.46 C ATOM 650 C PHE A 42 14.063 -3.322 3.055 1.00 0.29 C ATOM 651 O PHE A 42 13.548 -3.730 4.074 1.00 0.43 O ATOM 652 CB PHE A 42 14.028 -1.202 1.818 1.00 0.80 C ATOM 653 CG PHE A 42 12.554 -0.918 1.974 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.628 -1.950 2.067 1.00 2.69 C ATOM 655 CD2 PHE A 42 12.094 0.385 2.000 1.00 2.77 C ATOM 656 CE1 PHE A 42 10.282 -1.687 2.191 1.00 3.73 C ATOM 657 CE2 PHE A 42 10.747 0.654 2.116 1.00 3.80 C ATOM 658 CZ PHE A 42 9.840 -0.384 2.214 1.00 4.13 C ATOM 0 H PHE A 42 16.471 -1.394 2.033 1.00 0.42 H new ATOM 0 HA PHE A 42 14.528 -1.421 3.930 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.550 -0.256 1.674 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.174 -1.787 0.910 1.00 0.80 H new ATOM 0 HD1 PHE A 42 11.969 -2.974 2.042 1.00 2.69 H new ATOM 0 HD2 PHE A 42 12.798 1.201 1.929 1.00 2.77 H new ATOM 0 HE1 PHE A 42 9.576 -2.500 2.270 1.00 3.73 H new ATOM 0 HE2 PHE A 42 10.400 1.677 2.130 1.00 3.80 H new ATOM 0 HZ PHE A 42 8.785 -0.173 2.309 1.00 4.13 H new ATOM 668 N MET A 43 14.126 -4.033 1.957 1.00 0.26 N ATOM 669 CA MET A 43 13.402 -5.275 1.831 1.00 0.29 C ATOM 670 C MET A 43 14.011 -6.387 2.668 1.00 0.29 C ATOM 671 O MET A 43 13.329 -7.328 3.019 1.00 0.37 O ATOM 672 CB MET A 43 13.331 -5.704 0.377 1.00 0.39 C ATOM 673 CG MET A 43 12.596 -4.717 -0.521 1.00 0.62 C ATOM 674 SD MET A 43 12.160 -5.410 -2.129 1.00 1.22 S ATOM 675 CE MET A 43 10.995 -6.685 -1.646 1.00 2.26 C ATOM 0 H MET A 43 14.672 -3.773 1.136 1.00 0.26 H new ATOM 0 HA MET A 43 12.395 -5.094 2.207 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.344 -5.840 -0.002 1.00 0.39 H new ATOM 0 HB3 MET A 43 12.836 -6.673 0.318 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.688 -4.384 -0.018 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.220 -3.836 -0.669 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.448 -7.666 -1.792 1.00 2.26 H new ATOM 0 HE2 MET A 43 10.733 -6.559 -0.596 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.095 -6.606 -2.256 1.00 2.26 H new ATOM 685 N ASN A 44 15.282 -6.300 2.995 1.00 0.29 N ATOM 686 CA ASN A 44 15.905 -7.365 3.771 1.00 0.33 C ATOM 687 C ASN A 44 15.663 -7.164 5.259 1.00 0.32 C ATOM 688 O ASN A 44 15.836 -8.083 6.057 1.00 0.39 O ATOM 689 CB ASN A 44 17.395 -7.428 3.486 1.00 0.42 C ATOM 690 CG ASN A 44 18.010 -8.761 3.863 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.407 -8.979 5.005 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.111 -9.654 2.893 1.00 1.83 N ATOM 0 H ASN A 44 15.897 -5.525 2.746 1.00 0.29 H new ATOM 0 HA ASN A 44 15.451 -8.310 3.474 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.566 -7.241 2.426 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.899 -6.632 4.035 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.531 -10.564 3.080 1.00 1.83 H new ATOM 0 HD22 ASN A 44 17.768 -9.432 1.958 1.00 1.83 H new ATOM 699 N THR A 45 15.265 -5.960 5.631 1.00 0.26 N ATOM 700 CA THR A 45 14.951 -5.670 7.022 1.00 0.29 C ATOM 701 C THR A 45 13.449 -5.588 7.216 1.00 0.28 C ATOM 702 O THR A 45 12.870 -6.269 8.062 1.00 0.34 O ATOM 703 CB THR A 45 15.590 -4.348 7.492 1.00 0.29 C ATOM 704 OG1 THR A 45 15.164 -3.264 6.661 1.00 0.34 O ATOM 705 CG2 THR A 45 17.107 -4.440 7.485 1.00 0.34 C ATOM 0 H THR A 45 15.152 -5.171 4.995 1.00 0.26 H new ATOM 0 HA THR A 45 15.362 -6.484 7.620 1.00 0.29 H new ATOM 0 HB THR A 45 15.261 -4.164 8.515 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.619 -3.317 5.795 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.530 -3.493 7.821 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.426 -5.238 8.155 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.454 -4.654 6.474 1.00 0.34 H new ATOM 713 N GLU A 46 12.832 -4.757 6.396 1.00 0.23 N ATOM 714 CA GLU A 46 11.422 -4.463 6.491 1.00 0.25 C ATOM 715 C GLU A 46 10.596 -5.528 5.765 1.00 0.25 C ATOM 716 O GLU A 46 9.397 -5.620 5.952 1.00 0.34 O ATOM 717 CB GLU A 46 11.122 -3.082 5.891 1.00 0.29 C ATOM 718 CG GLU A 46 12.117 -1.987 6.263 1.00 0.58 C ATOM 719 CD GLU A 46 12.290 -1.804 7.756 1.00 1.17 C ATOM 720 OE1 GLU A 46 11.485 -1.081 8.376 1.00 1.70 O ATOM 721 OE2 GLU A 46 13.255 -2.365 8.314 1.00 1.68 O ATOM 0 H GLU A 46 13.305 -4.264 5.639 1.00 0.23 H new ATOM 0 HA GLU A 46 11.148 -4.463 7.546 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.094 -3.173 4.805 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.127 -2.772 6.211 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.085 -2.222 5.820 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.787 -1.045 5.826 1.00 0.58 H new ATOM 728 N LEU A 47 11.225 -6.316 4.910 1.00 0.25 N ATOM 729 CA LEU A 47 10.499 -7.374 4.214 1.00 0.26 C ATOM 730 C LEU A 47 11.266 -8.680 4.220 1.00 0.28 C ATOM 731 O LEU A 47 11.112 -9.500 3.317 1.00 0.30 O ATOM 732 CB LEU A 47 10.191 -6.959 2.783 1.00 0.26 C ATOM 733 CG LEU A 47 9.227 -5.790 2.662 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.189 -5.282 1.237 1.00 0.32 C ATOM 735 CD2 LEU A 47 7.844 -6.216 3.125 1.00 0.27 C ATOM 0 H LEU A 47 12.217 -6.250 4.681 1.00 0.25 H new ATOM 0 HA LEU A 47 9.564 -7.532 4.751 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.124 -6.698 2.285 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.774 -7.814 2.251 1.00 0.26 H new ATOM 0 HG LEU A 47 9.571 -4.975 3.299 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.494 -4.445 1.167 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.185 -4.952 0.942 1.00 0.32 H new ATOM 0 HD13 LEU A 47 8.860 -6.082 0.574 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.156 -5.375 3.037 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.491 -7.041 2.506 1.00 0.27 H new ATOM 0 HD23 LEU A 47 7.892 -6.538 4.165 1.00 0.27 H new ATOM 747 N ALA A 48 12.131 -8.836 5.207 1.00 0.32 N ATOM 748 CA ALA A 48 12.860 -10.075 5.423 1.00 0.36 C ATOM 749 C ALA A 48 11.967 -11.313 5.316 1.00 0.39 C ATOM 750 O ALA A 48 12.427 -12.371 4.888 1.00 0.44 O ATOM 751 CB ALA A 48 13.532 -10.027 6.777 1.00 0.41 C ATOM 0 H ALA A 48 12.349 -8.105 5.884 1.00 0.32 H new ATOM 0 HA ALA A 48 13.607 -10.162 4.634 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.080 -10.954 6.944 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.224 -9.185 6.810 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.777 -9.907 7.554 1.00 0.41 H new ATOM 757 N ALA A 49 10.702 -11.177 5.708 1.00 0.38 N ATOM 758 CA ALA A 49 9.729 -12.262 5.581 1.00 0.41 C ATOM 759 C ALA A 49 9.626 -12.733 4.136 1.00 0.41 C ATOM 760 O ALA A 49 9.549 -13.927 3.858 1.00 0.47 O ATOM 761 CB ALA A 49 8.369 -11.798 6.071 1.00 0.44 C ATOM 0 H ALA A 49 10.325 -10.323 6.118 1.00 0.38 H new ATOM 0 HA ALA A 49 10.067 -13.099 6.192 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.650 -12.611 5.973 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.441 -11.501 7.117 1.00 0.44 H new ATOM 0 HB3 ALA A 49 8.038 -10.948 5.475 1.00 0.44 H new ATOM 767 N PHE A 50 9.637 -11.775 3.230 1.00 0.36 N ATOM 768 CA PHE A 50 9.542 -12.042 1.805 1.00 0.37 C ATOM 769 C PHE A 50 10.923 -12.337 1.229 1.00 0.38 C ATOM 770 O PHE A 50 11.143 -13.353 0.570 1.00 0.44 O ATOM 771 CB PHE A 50 8.943 -10.815 1.118 1.00 0.35 C ATOM 772 CG PHE A 50 8.703 -10.981 -0.357 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.568 -11.628 -0.820 1.00 1.63 C ATOM 774 CD2 PHE A 50 9.607 -10.480 -1.282 1.00 1.32 C ATOM 775 CE1 PHE A 50 7.341 -11.775 -2.176 1.00 2.09 C ATOM 776 CE2 PHE A 50 9.385 -10.623 -2.638 1.00 1.66 C ATOM 777 CZ PHE A 50 8.251 -11.271 -3.086 1.00 1.80 C ATOM 0 H PHE A 50 9.712 -10.784 3.461 1.00 0.36 H new ATOM 0 HA PHE A 50 8.907 -12.912 1.636 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.998 -10.569 1.602 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.610 -9.967 1.271 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.853 -12.022 -0.113 1.00 1.63 H new ATOM 0 HD2 PHE A 50 10.496 -9.972 -0.938 1.00 1.32 H new ATOM 0 HE1 PHE A 50 6.454 -12.283 -2.524 1.00 2.09 H new ATOM 0 HE2 PHE A 50 10.098 -10.228 -3.347 1.00 1.66 H new ATOM 0 HZ PHE A 50 8.075 -11.384 -4.146 1.00 1.80 H new ATOM 787 N THR A 51 11.846 -11.434 1.518 1.00 0.36 N ATOM 788 CA THR A 51 13.189 -11.458 0.963 1.00 0.40 C ATOM 789 C THR A 51 13.938 -12.745 1.295 1.00 0.45 C ATOM 790 O THR A 51 14.461 -13.411 0.406 1.00 0.54 O ATOM 791 CB THR A 51 13.971 -10.253 1.496 1.00 0.39 C ATOM 792 OG1 THR A 51 13.329 -9.050 1.071 1.00 0.39 O ATOM 793 CG2 THR A 51 15.414 -10.267 1.019 1.00 0.49 C ATOM 0 H THR A 51 11.681 -10.653 2.153 1.00 0.36 H new ATOM 0 HA THR A 51 13.100 -11.411 -0.122 1.00 0.40 H new ATOM 0 HB THR A 51 13.983 -10.306 2.585 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.098 -8.508 1.854 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.937 -9.397 1.417 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.904 -11.176 1.368 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.437 -10.237 -0.070 1.00 0.49 H new ATOM 801 N LYS A 52 13.962 -13.104 2.567 1.00 0.48 N ATOM 802 CA LYS A 52 14.754 -14.239 3.017 1.00 0.60 C ATOM 803 C LYS A 52 14.032 -15.551 2.744 1.00 0.69 C ATOM 804 O LYS A 52 14.558 -16.634 3.012 1.00 0.84 O ATOM 805 CB LYS A 52 15.069 -14.104 4.505 1.00 0.70 C ATOM 806 CG LYS A 52 15.850 -12.841 4.833 1.00 0.78 C ATOM 807 CD LYS A 52 16.187 -12.746 6.311 1.00 1.07 C ATOM 808 CE LYS A 52 16.976 -11.479 6.617 1.00 1.24 C ATOM 809 NZ LYS A 52 17.332 -11.372 8.056 1.00 1.82 N ATOM 0 H LYS A 52 13.444 -12.628 3.306 1.00 0.48 H new ATOM 0 HA LYS A 52 15.689 -14.246 2.457 1.00 0.60 H new ATOM 0 HB2 LYS A 52 14.137 -14.106 5.070 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.641 -14.973 4.830 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.771 -12.823 4.250 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.268 -11.968 4.537 1.00 0.78 H new ATOM 0 HD2 LYS A 52 15.268 -12.756 6.897 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.766 -13.619 6.611 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.886 -11.466 6.018 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.389 -10.608 6.324 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 17.868 -10.495 8.217 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 16.464 -11.357 8.628 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 17.914 -12.189 8.331 1.00 1.82 H new ATOM 823 N ASN A 53 12.825 -15.446 2.215 1.00 0.68 N ATOM 824 CA ASN A 53 12.037 -16.620 1.884 1.00 0.85 C ATOM 825 C ASN A 53 12.142 -16.916 0.391 1.00 1.00 C ATOM 826 O ASN A 53 12.080 -18.071 -0.038 1.00 1.22 O ATOM 827 CB ASN A 53 10.582 -16.404 2.292 1.00 0.92 C ATOM 828 CG ASN A 53 9.745 -17.665 2.180 1.00 1.40 C ATOM 829 OD1 ASN A 53 10.248 -18.778 2.338 1.00 1.94 O ATOM 830 ND2 ASN A 53 8.463 -17.501 1.904 1.00 2.05 N ATOM 0 H ASN A 53 12.369 -14.558 2.005 1.00 0.68 H new ATOM 0 HA ASN A 53 12.425 -17.478 2.433 1.00 0.85 H new ATOM 0 HB2 ASN A 53 10.548 -16.041 3.319 1.00 0.92 H new ATOM 0 HB3 ASN A 53 10.145 -15.627 1.665 1.00 0.92 H new ATOM 0 HD21 ASN A 53 7.853 -18.313 1.815 1.00 2.05 H new ATOM 0 HD22 ASN A 53 8.084 -16.562 1.780 1.00 2.05 H new ATOM 837 N GLN A 54 12.310 -15.860 -0.394 1.00 1.02 N ATOM 838 CA GLN A 54 12.525 -15.988 -1.829 1.00 1.29 C ATOM 839 C GLN A 54 14.012 -15.839 -2.138 1.00 1.33 C ATOM 840 O GLN A 54 14.425 -14.913 -2.839 1.00 2.05 O ATOM 841 CB GLN A 54 11.713 -14.933 -2.589 1.00 1.74 C ATOM 842 CG GLN A 54 10.206 -15.050 -2.395 1.00 2.17 C ATOM 843 CD GLN A 54 9.618 -16.296 -3.033 1.00 2.40 C ATOM 844 OE1 GLN A 54 10.278 -17.326 -3.147 1.00 2.91 O ATOM 845 NE2 GLN A 54 8.367 -16.211 -3.453 1.00 2.71 N ATOM 0 H GLN A 54 12.301 -14.897 -0.057 1.00 1.02 H new ATOM 0 HA GLN A 54 12.190 -16.973 -2.153 1.00 1.29 H new ATOM 0 HB2 GLN A 54 12.034 -13.942 -2.268 1.00 1.74 H new ATOM 0 HB3 GLN A 54 11.939 -15.012 -3.652 1.00 1.74 H new ATOM 0 HG2 GLN A 54 9.982 -15.055 -1.328 1.00 2.17 H new ATOM 0 HG3 GLN A 54 9.722 -14.170 -2.818 1.00 2.17 H new ATOM 0 HE21 GLN A 54 7.850 -15.339 -3.342 1.00 2.71 H new ATOM 0 HE22 GLN A 54 7.919 -17.017 -3.888 1.00 2.71 H new ATOM 854 N LYS A 55 14.797 -16.776 -1.611 1.00 1.44 N ATOM 855 CA LYS A 55 16.259 -16.721 -1.655 1.00 1.87 C ATOM 856 C LYS A 55 16.770 -15.585 -0.771 1.00 1.59 C ATOM 857 O LYS A 55 16.802 -15.734 0.452 1.00 2.27 O ATOM 858 CB LYS A 55 16.791 -16.599 -3.089 1.00 2.84 C ATOM 859 CG LYS A 55 16.464 -17.802 -3.957 1.00 3.60 C ATOM 860 CD LYS A 55 16.978 -17.627 -5.376 1.00 4.29 C ATOM 861 CE LYS A 55 16.629 -18.826 -6.243 1.00 5.02 C ATOM 862 NZ LYS A 55 17.084 -18.650 -7.647 1.00 5.58 N ATOM 0 H LYS A 55 14.434 -17.603 -1.137 1.00 1.44 H new ATOM 0 HA LYS A 55 16.640 -17.664 -1.264 1.00 1.87 H new ATOM 0 HB2 LYS A 55 16.373 -15.704 -3.549 1.00 2.84 H new ATOM 0 HB3 LYS A 55 17.872 -16.466 -3.058 1.00 2.84 H new ATOM 0 HG2 LYS A 55 16.904 -18.698 -3.518 1.00 3.60 H new ATOM 0 HG3 LYS A 55 15.385 -17.954 -3.977 1.00 3.60 H new ATOM 0 HD2 LYS A 55 16.550 -16.724 -5.811 1.00 4.29 H new ATOM 0 HD3 LYS A 55 18.059 -17.491 -5.359 1.00 4.29 H new ATOM 0 HE2 LYS A 55 17.086 -19.722 -5.823 1.00 5.02 H new ATOM 0 HE3 LYS A 55 15.550 -18.982 -6.228 1.00 5.02 H new ATOM 0 HZ1 LYS A 55 16.826 -19.490 -8.203 1.00 5.58 H new ATOM 0 HZ2 LYS A 55 16.628 -17.810 -8.057 1.00 5.58 H new ATOM 0 HZ3 LYS A 55 18.117 -18.527 -7.664 1.00 5.58 H new ATOM 876 N ASP A 56 17.136 -14.452 -1.380 1.00 1.36 N ATOM 877 CA ASP A 56 17.557 -13.270 -0.620 1.00 1.50 C ATOM 878 C ASP A 56 17.927 -12.091 -1.543 1.00 1.27 C ATOM 879 O ASP A 56 17.229 -11.080 -1.536 1.00 1.44 O ATOM 880 CB ASP A 56 18.701 -13.608 0.359 1.00 2.13 C ATOM 881 CG ASP A 56 19.224 -12.407 1.125 1.00 2.83 C ATOM 882 OD1 ASP A 56 20.073 -11.666 0.584 1.00 3.39 O ATOM 883 OD2 ASP A 56 18.817 -12.220 2.290 1.00 3.44 O ATOM 0 H ASP A 56 17.149 -14.329 -2.392 1.00 1.36 H new ATOM 0 HA ASP A 56 16.701 -12.949 -0.026 1.00 1.50 H new ATOM 0 HB2 ASP A 56 18.350 -14.356 1.070 1.00 2.13 H new ATOM 0 HB3 ASP A 56 19.523 -14.058 -0.198 1.00 2.13 H new ATOM 888 N PRO A 57 19.013 -12.169 -2.353 1.00 1.06 N ATOM 889 CA PRO A 57 19.439 -11.029 -3.162 1.00 1.02 C ATOM 890 C PRO A 57 18.641 -10.826 -4.455 1.00 0.75 C ATOM 891 O PRO A 57 18.046 -9.768 -4.665 1.00 0.70 O ATOM 892 CB PRO A 57 20.898 -11.346 -3.481 1.00 1.20 C ATOM 893 CG PRO A 57 20.968 -12.832 -3.490 1.00 1.20 C ATOM 894 CD PRO A 57 19.935 -13.309 -2.506 1.00 1.14 C ATOM 0 HA PRO A 57 19.283 -10.097 -2.619 1.00 1.02 H new ATOM 0 HB2 PRO A 57 21.192 -10.930 -4.445 1.00 1.20 H new ATOM 0 HB3 PRO A 57 21.568 -10.922 -2.733 1.00 1.20 H new ATOM 0 HG2 PRO A 57 20.766 -13.225 -4.487 1.00 1.20 H new ATOM 0 HG3 PRO A 57 21.963 -13.176 -3.207 1.00 1.20 H new ATOM 0 HD2 PRO A 57 19.415 -14.193 -2.875 1.00 1.14 H new ATOM 0 HD3 PRO A 57 20.390 -13.581 -1.554 1.00 1.14 H new ATOM 902 N GLY A 58 18.616 -11.849 -5.305 1.00 0.67 N ATOM 903 CA GLY A 58 18.092 -11.699 -6.653 1.00 0.56 C ATOM 904 C GLY A 58 16.626 -11.343 -6.697 1.00 0.49 C ATOM 905 O GLY A 58 16.159 -10.751 -7.666 1.00 0.48 O ATOM 0 H GLY A 58 18.952 -12.786 -5.082 1.00 0.67 H new ATOM 0 HA2 GLY A 58 18.660 -10.926 -7.170 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.248 -12.629 -7.200 1.00 0.56 H new ATOM 909 N VAL A 59 15.897 -11.689 -5.653 1.00 0.52 N ATOM 910 CA VAL A 59 14.473 -11.414 -5.617 1.00 0.52 C ATOM 911 C VAL A 59 14.204 -9.923 -5.582 1.00 0.49 C ATOM 912 O VAL A 59 13.324 -9.430 -6.281 1.00 0.49 O ATOM 913 CB VAL A 59 13.778 -12.090 -4.419 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.434 -11.682 -3.111 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.297 -11.747 -4.406 1.00 0.66 C ATOM 0 H VAL A 59 16.263 -12.157 -4.824 1.00 0.52 H new ATOM 0 HA VAL A 59 14.056 -11.834 -6.533 1.00 0.52 H new ATOM 0 HB VAL A 59 13.884 -13.170 -4.526 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.926 -12.172 -2.281 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.482 -11.980 -3.121 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.365 -10.601 -2.991 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.819 -12.231 -3.555 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.174 -10.667 -4.325 1.00 0.66 H new ATOM 0 HG23 VAL A 59 11.834 -12.097 -5.329 1.00 0.66 H new ATOM 925 N LEU A 60 14.982 -9.205 -4.794 1.00 0.48 N ATOM 926 CA LEU A 60 14.806 -7.771 -4.679 1.00 0.46 C ATOM 927 C LEU A 60 15.166 -7.121 -5.995 1.00 0.43 C ATOM 928 O LEU A 60 14.717 -6.022 -6.307 1.00 0.41 O ATOM 929 CB LEU A 60 15.668 -7.198 -3.559 1.00 0.48 C ATOM 930 CG LEU A 60 15.648 -8.001 -2.260 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.435 -7.289 -1.175 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.219 -8.246 -1.816 1.00 0.52 C ATOM 0 H LEU A 60 15.738 -9.589 -4.227 1.00 0.48 H new ATOM 0 HA LEU A 60 13.764 -7.564 -4.436 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.697 -7.129 -3.911 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.335 -6.182 -3.347 1.00 0.48 H new ATOM 0 HG LEU A 60 16.123 -8.965 -2.442 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.407 -7.879 -0.259 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.469 -7.167 -1.497 1.00 0.51 H new ATOM 0 HD13 LEU A 60 15.994 -6.309 -0.989 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.219 -8.819 -0.889 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.720 -7.291 -1.652 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.689 -8.804 -2.588 1.00 0.52 H new ATOM 944 N ASP A 61 15.970 -7.830 -6.771 1.00 0.46 N ATOM 945 CA ASP A 61 16.335 -7.373 -8.102 1.00 0.46 C ATOM 946 C ASP A 61 15.153 -7.555 -9.031 1.00 0.47 C ATOM 947 O ASP A 61 14.838 -6.685 -9.842 1.00 0.51 O ATOM 948 CB ASP A 61 17.543 -8.135 -8.647 1.00 0.47 C ATOM 949 CG ASP A 61 18.196 -7.418 -9.819 1.00 0.48 C ATOM 950 OD1 ASP A 61 17.742 -7.605 -10.972 1.00 1.19 O ATOM 951 OD2 ASP A 61 19.173 -6.667 -9.599 1.00 1.22 O ATOM 0 H ASP A 61 16.382 -8.724 -6.502 1.00 0.46 H new ATOM 0 HA ASP A 61 16.608 -6.319 -8.040 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.276 -8.268 -7.851 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.230 -9.131 -8.961 1.00 0.47 H new ATOM 956 N ARG A 62 14.493 -8.694 -8.882 1.00 0.47 N ATOM 957 CA ARG A 62 13.301 -9.005 -9.652 1.00 0.51 C ATOM 958 C ARG A 62 12.212 -7.983 -9.369 1.00 0.50 C ATOM 959 O ARG A 62 11.494 -7.553 -10.274 1.00 0.56 O ATOM 960 CB ARG A 62 12.800 -10.403 -9.301 1.00 0.55 C ATOM 961 CG ARG A 62 13.846 -11.487 -9.486 1.00 0.55 C ATOM 962 CD ARG A 62 13.321 -12.837 -9.043 1.00 0.62 C ATOM 963 NE ARG A 62 12.066 -13.185 -9.712 1.00 1.45 N ATOM 964 CZ ARG A 62 11.127 -13.969 -9.180 1.00 1.97 C ATOM 965 NH1 ARG A 62 11.312 -14.521 -7.985 1.00 1.66 N ATOM 966 NH2 ARG A 62 10.004 -14.208 -9.847 1.00 3.02 N ATOM 0 H ARG A 62 14.768 -9.425 -8.226 1.00 0.47 H new ATOM 0 HA ARG A 62 13.552 -8.972 -10.712 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.462 -10.409 -8.265 1.00 0.55 H new ATOM 0 HB3 ARG A 62 11.934 -10.636 -9.921 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.142 -11.535 -10.534 1.00 0.55 H new ATOM 0 HG3 ARG A 62 14.739 -11.236 -8.914 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.068 -13.603 -9.253 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.166 -12.829 -7.964 1.00 0.62 H new ATOM 0 HE ARG A 62 11.899 -12.804 -10.643 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.175 -14.346 -7.470 1.00 1.66 H new ATOM 0 HH12 ARG A 62 10.591 -15.120 -7.583 1.00 1.66 H new ATOM 0 HH21 ARG A 62 9.859 -13.792 -10.767 1.00 3.02 H new ATOM 0 HH22 ARG A 62 9.287 -14.808 -9.439 1.00 3.02 H new ATOM 980 N MET A 63 12.093 -7.601 -8.103 1.00 0.45 N ATOM 981 CA MET A 63 11.148 -6.567 -7.711 1.00 0.44 C ATOM 982 C MET A 63 11.581 -5.247 -8.312 1.00 0.41 C ATOM 983 O MET A 63 10.814 -4.588 -9.008 1.00 0.42 O ATOM 984 CB MET A 63 11.073 -6.430 -6.191 1.00 0.43 C ATOM 985 CG MET A 63 10.971 -7.759 -5.467 1.00 0.49 C ATOM 986 SD MET A 63 9.621 -8.796 -6.071 1.00 0.64 S ATOM 987 CE MET A 63 8.195 -7.791 -5.668 1.00 1.54 C ATOM 0 H MET A 63 12.638 -7.991 -7.334 1.00 0.45 H new ATOM 0 HA MET A 63 10.160 -6.847 -8.077 1.00 0.44 H new ATOM 0 HB2 MET A 63 11.958 -5.900 -5.838 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.210 -5.817 -5.932 1.00 0.43 H new ATOM 0 HG2 MET A 63 11.912 -8.298 -5.577 1.00 0.49 H new ATOM 0 HG3 MET A 63 10.831 -7.575 -4.402 1.00 0.49 H new ATOM 0 HE1 MET A 63 7.285 -8.320 -5.951 1.00 1.54 H new ATOM 0 HE2 MET A 63 8.181 -7.592 -4.596 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.250 -6.848 -6.211 1.00 1.54 H new ATOM 997 N MET A 64 12.834 -4.900 -8.050 1.00 0.41 N ATOM 998 CA MET A 64 13.449 -3.680 -8.549 1.00 0.42 C ATOM 999 C MET A 64 13.129 -3.425 -10.014 1.00 0.44 C ATOM 1000 O MET A 64 12.608 -2.379 -10.359 1.00 0.41 O ATOM 1001 CB MET A 64 14.962 -3.755 -8.311 1.00 0.55 C ATOM 1002 CG MET A 64 15.805 -2.823 -9.161 1.00 0.65 C ATOM 1003 SD MET A 64 15.229 -1.125 -9.172 1.00 1.87 S ATOM 1004 CE MET A 64 16.249 -0.499 -10.493 1.00 2.41 C ATOM 0 H MET A 64 13.459 -5.467 -7.477 1.00 0.41 H new ATOM 0 HA MET A 64 13.033 -2.833 -8.002 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.158 -3.538 -7.261 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.290 -4.779 -8.491 1.00 0.55 H new ATOM 0 HG2 MET A 64 16.832 -2.845 -8.797 1.00 0.65 H new ATOM 0 HG3 MET A 64 15.822 -3.197 -10.185 1.00 0.65 H new ATOM 0 HE1 MET A 64 15.923 0.507 -10.759 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.289 -0.470 -10.167 1.00 2.41 H new ATOM 0 HE3 MET A 64 16.159 -1.151 -11.362 1.00 2.41 H new ATOM 1014 N LYS A 65 13.384 -4.393 -10.860 1.00 0.52 N ATOM 1015 CA LYS A 65 13.275 -4.177 -12.298 1.00 0.56 C ATOM 1016 C LYS A 65 11.819 -4.150 -12.758 1.00 0.54 C ATOM 1017 O LYS A 65 11.495 -3.581 -13.803 1.00 0.60 O ATOM 1018 CB LYS A 65 14.076 -5.248 -13.014 1.00 0.66 C ATOM 1019 CG LYS A 65 15.489 -5.335 -12.470 1.00 0.79 C ATOM 1020 CD LYS A 65 16.310 -4.111 -12.840 1.00 0.86 C ATOM 1021 CE LYS A 65 17.706 -4.178 -12.240 1.00 1.57 C ATOM 1022 NZ LYS A 65 18.407 -5.446 -12.585 1.00 2.49 N ATOM 0 H LYS A 65 13.667 -5.335 -10.589 1.00 0.52 H new ATOM 0 HA LYS A 65 13.685 -3.198 -12.547 1.00 0.56 H new ATOM 0 HB2 LYS A 65 13.580 -6.212 -12.901 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.108 -5.029 -14.081 1.00 0.66 H new ATOM 0 HG2 LYS A 65 15.456 -5.437 -11.385 1.00 0.79 H new ATOM 0 HG3 LYS A 65 15.974 -6.230 -12.859 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.382 -4.033 -13.925 1.00 0.86 H new ATOM 0 HD3 LYS A 65 15.804 -3.212 -12.489 1.00 0.86 H new ATOM 0 HE2 LYS A 65 18.293 -3.332 -12.596 1.00 1.57 H new ATOM 0 HE3 LYS A 65 17.638 -4.086 -11.156 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 19.413 -5.366 -12.334 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 17.980 -6.234 -12.057 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 18.318 -5.625 -13.606 1.00 2.49 H new ATOM 1036 N LYS A 66 10.946 -4.757 -11.970 1.00 0.50 N ATOM 1037 CA LYS A 66 9.513 -4.680 -12.210 1.00 0.52 C ATOM 1038 C LYS A 66 9.006 -3.290 -11.853 1.00 0.48 C ATOM 1039 O LYS A 66 8.262 -2.658 -12.606 1.00 0.55 O ATOM 1040 CB LYS A 66 8.783 -5.709 -11.347 1.00 0.55 C ATOM 1041 CG LYS A 66 7.269 -5.598 -11.422 1.00 0.91 C ATOM 1042 CD LYS A 66 6.614 -5.921 -10.086 1.00 0.96 C ATOM 1043 CE LYS A 66 6.963 -7.319 -9.598 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.445 -8.375 -10.509 1.00 1.47 N ATOM 0 H LYS A 66 11.206 -5.311 -11.154 1.00 0.50 H new ATOM 0 HA LYS A 66 9.323 -4.885 -13.264 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.082 -6.710 -11.658 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.097 -5.590 -10.310 1.00 0.55 H new ATOM 0 HG2 LYS A 66 6.993 -4.589 -11.728 1.00 0.91 H new ATOM 0 HG3 LYS A 66 6.892 -6.278 -12.186 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.929 -5.189 -9.342 1.00 0.96 H new ATOM 0 HD3 LYS A 66 5.532 -5.831 -10.183 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.046 -7.413 -9.513 1.00 0.73 H new ATOM 0 HE3 LYS A 66 6.551 -7.468 -8.600 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 6.631 -9.311 -10.096 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.421 -8.251 -10.638 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.921 -8.302 -11.431 1.00 1.47 H new ATOM 1058 N LEU A 67 9.438 -2.824 -10.697 1.00 0.41 N ATOM 1059 CA LEU A 67 8.933 -1.596 -10.112 1.00 0.39 C ATOM 1060 C LEU A 67 9.616 -0.375 -10.696 1.00 0.40 C ATOM 1061 O LEU A 67 9.027 0.697 -10.744 1.00 0.46 O ATOM 1062 CB LEU A 67 9.170 -1.625 -8.620 1.00 0.34 C ATOM 1063 CG LEU A 67 8.698 -2.902 -7.920 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.243 -2.965 -6.506 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.180 -2.988 -7.918 1.00 0.37 C ATOM 0 H LEU A 67 10.152 -3.288 -10.135 1.00 0.41 H new ATOM 0 HA LEU A 67 7.868 -1.529 -10.334 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.236 -1.498 -8.433 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.663 -0.772 -8.169 1.00 0.34 H new ATOM 0 HG LEU A 67 9.083 -3.758 -8.474 1.00 0.33 H new ATOM 0 HD11 LEU A 67 8.897 -3.879 -6.023 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.333 -2.960 -6.535 1.00 0.30 H new ATOM 0 HD13 LEU A 67 8.891 -2.101 -5.942 1.00 0.30 H new ATOM 0 HD21 LEU A 67 6.868 -3.904 -7.415 1.00 0.37 H new ATOM 0 HD22 LEU A 67 6.767 -2.127 -7.392 1.00 0.37 H new ATOM 0 HD23 LEU A 67 6.815 -2.995 -8.945 1.00 0.37 H new ATOM 1077 N ASP A 68 10.871 -0.538 -11.103 1.00 0.40 N ATOM 1078 CA ASP A 68 11.644 0.545 -11.708 1.00 0.42 C ATOM 1079 C ASP A 68 11.069 0.879 -13.069 1.00 0.52 C ATOM 1080 O ASP A 68 11.639 0.588 -14.122 1.00 0.56 O ATOM 1081 CB ASP A 68 13.114 0.165 -11.811 1.00 0.43 C ATOM 1082 CG ASP A 68 13.969 1.248 -12.449 1.00 0.46 C ATOM 1083 OD1 ASP A 68 13.638 2.446 -12.319 1.00 1.23 O ATOM 1084 OD2 ASP A 68 14.984 0.901 -13.094 1.00 1.13 O ATOM 0 H ASP A 68 11.380 -1.419 -11.024 1.00 0.40 H new ATOM 0 HA ASP A 68 11.578 1.429 -11.074 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.497 -0.051 -10.814 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.206 -0.752 -12.394 1.00 0.43 H new ATOM 1089 N THR A 69 9.910 1.478 -13.000 1.00 0.59 N ATOM 1090 CA THR A 69 9.104 1.817 -14.147 1.00 0.74 C ATOM 1091 C THR A 69 9.741 2.927 -14.979 1.00 0.84 C ATOM 1092 O THR A 69 9.347 3.177 -16.120 1.00 0.99 O ATOM 1093 CB THR A 69 7.726 2.256 -13.639 1.00 0.79 C ATOM 1094 OG1 THR A 69 6.721 2.050 -14.639 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.751 3.721 -13.229 1.00 0.83 C ATOM 0 H THR A 69 9.485 1.753 -12.115 1.00 0.59 H new ATOM 0 HA THR A 69 9.018 0.947 -14.797 1.00 0.74 H new ATOM 0 HB THR A 69 7.481 1.646 -12.769 1.00 0.79 H new ATOM 0 HG1 THR A 69 5.850 2.336 -14.292 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.764 4.016 -12.871 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.483 3.864 -12.434 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.023 4.335 -14.088 1.00 0.83 H new ATOM 1103 N ASN A 70 10.729 3.583 -14.401 1.00 0.80 N ATOM 1104 CA ASN A 70 11.359 4.721 -15.038 1.00 0.94 C ATOM 1105 C ASN A 70 12.740 4.352 -15.550 1.00 0.86 C ATOM 1106 O ASN A 70 13.350 5.085 -16.329 1.00 0.97 O ATOM 1107 CB ASN A 70 11.451 5.869 -14.038 1.00 1.01 C ATOM 1108 CG ASN A 70 11.887 7.176 -14.675 1.00 1.25 C ATOM 1109 OD1 ASN A 70 11.613 7.433 -15.848 1.00 1.46 O ATOM 1110 ND2 ASN A 70 12.555 8.015 -13.902 1.00 1.66 N ATOM 0 H ASN A 70 11.113 3.345 -13.487 1.00 0.80 H new ATOM 0 HA ASN A 70 10.757 5.032 -15.892 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.480 6.009 -13.563 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.156 5.602 -13.250 1.00 1.01 H new ATOM 0 HD21 ASN A 70 12.864 8.914 -14.272 1.00 1.66 H new ATOM 0 HD22 ASN A 70 12.762 7.763 -12.935 1.00 1.66 H new ATOM 1117 N SER A 71 13.216 3.191 -15.102 1.00 0.70 N ATOM 1118 CA SER A 71 14.551 2.714 -15.423 1.00 0.66 C ATOM 1119 C SER A 71 15.586 3.702 -14.913 1.00 0.61 C ATOM 1120 O SER A 71 16.573 4.009 -15.584 1.00 0.65 O ATOM 1121 CB SER A 71 14.704 2.479 -16.927 1.00 0.82 C ATOM 1122 OG SER A 71 13.739 1.550 -17.393 1.00 1.47 O ATOM 0 H SER A 71 12.683 2.558 -14.506 1.00 0.70 H new ATOM 0 HA SER A 71 14.710 1.756 -14.928 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.593 3.423 -17.460 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.706 2.107 -17.141 1.00 0.82 H new ATOM 0 HG SER A 71 13.853 1.415 -18.357 1.00 1.47 H new ATOM 1128 N ASP A 72 15.349 4.187 -13.705 1.00 0.58 N ATOM 1129 CA ASP A 72 16.225 5.158 -13.082 1.00 0.65 C ATOM 1130 C ASP A 72 17.268 4.415 -12.276 1.00 0.56 C ATOM 1131 O ASP A 72 18.315 4.954 -11.921 1.00 0.66 O ATOM 1132 CB ASP A 72 15.423 6.102 -12.179 1.00 0.80 C ATOM 1133 CG ASP A 72 16.249 7.262 -11.656 1.00 0.93 C ATOM 1134 OD1 ASP A 72 16.467 8.226 -12.421 1.00 1.53 O ATOM 1135 OD2 ASP A 72 16.681 7.223 -10.482 1.00 1.56 O ATOM 0 H ASP A 72 14.548 3.919 -13.134 1.00 0.58 H new ATOM 0 HA ASP A 72 16.711 5.762 -13.848 1.00 0.65 H new ATOM 0 HB2 ASP A 72 14.570 6.491 -12.735 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.023 5.538 -11.336 1.00 0.80 H new ATOM 1140 N GLY A 73 16.967 3.152 -12.012 1.00 0.45 N ATOM 1141 CA GLY A 73 17.867 2.324 -11.249 1.00 0.46 C ATOM 1142 C GLY A 73 17.512 2.348 -9.787 1.00 0.41 C ATOM 1143 O GLY A 73 18.297 1.930 -8.933 1.00 0.44 O ATOM 0 H GLY A 73 16.111 2.688 -12.316 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.827 1.300 -11.620 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.891 2.673 -11.384 1.00 0.46 H new ATOM 1147 N GLN A 74 16.314 2.839 -9.508 1.00 0.38 N ATOM 1148 CA GLN A 74 15.821 2.967 -8.155 1.00 0.37 C ATOM 1149 C GLN A 74 14.319 2.783 -8.150 1.00 0.36 C ATOM 1150 O GLN A 74 13.693 2.689 -9.205 1.00 0.39 O ATOM 1151 CB GLN A 74 16.136 4.355 -7.606 1.00 0.38 C ATOM 1152 CG GLN A 74 17.587 4.761 -7.745 1.00 0.42 C ATOM 1153 CD GLN A 74 17.878 6.110 -7.143 1.00 0.50 C ATOM 1154 OE1 GLN A 74 18.224 6.210 -5.973 1.00 1.03 O ATOM 1155 NE2 GLN A 74 17.728 7.156 -7.935 1.00 1.25 N ATOM 0 H GLN A 74 15.658 3.160 -10.220 1.00 0.38 H new ATOM 0 HA GLN A 74 16.302 2.210 -7.536 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.514 5.087 -8.121 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.860 4.388 -6.552 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.216 4.011 -7.265 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.856 4.774 -8.801 1.00 0.42 H new ATOM 0 HE21 GLN A 74 17.438 7.025 -8.904 1.00 1.25 H new ATOM 0 HE22 GLN A 74 17.902 8.095 -7.578 1.00 1.25 H new ATOM 1164 N LEU A 75 13.745 2.763 -6.966 1.00 0.33 N ATOM 1165 CA LEU A 75 12.307 2.659 -6.823 1.00 0.32 C ATOM 1166 C LEU A 75 11.771 3.851 -6.077 1.00 0.32 C ATOM 1167 O LEU A 75 12.138 4.096 -4.930 1.00 0.32 O ATOM 1168 CB LEU A 75 11.938 1.385 -6.093 1.00 0.31 C ATOM 1169 CG LEU A 75 12.453 0.121 -6.751 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.004 -1.100 -5.971 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.973 0.080 -8.189 1.00 0.35 C ATOM 0 H LEU A 75 14.254 2.818 -6.084 1.00 0.33 H new ATOM 0 HA LEU A 75 11.863 2.634 -7.818 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.327 1.436 -5.076 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.852 1.325 -6.016 1.00 0.31 H new ATOM 0 HG LEU A 75 13.543 0.118 -6.751 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.381 -2.000 -6.456 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.392 -1.045 -4.954 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.915 -1.133 -5.942 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.340 -0.827 -8.669 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.883 0.086 -8.209 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.351 0.952 -8.724 1.00 0.35 H new ATOM 1183 N ASP A 76 10.901 4.589 -6.721 1.00 0.35 N ATOM 1184 CA ASP A 76 10.361 5.786 -6.114 1.00 0.36 C ATOM 1185 C ASP A 76 9.167 5.404 -5.259 1.00 0.33 C ATOM 1186 O ASP A 76 8.726 4.257 -5.303 1.00 0.32 O ATOM 1187 CB ASP A 76 9.995 6.821 -7.187 1.00 0.44 C ATOM 1188 CG ASP A 76 8.512 6.870 -7.505 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.038 6.024 -8.282 1.00 1.45 O ATOM 1190 OD2 ASP A 76 7.813 7.769 -6.987 1.00 1.68 O ATOM 0 H ASP A 76 10.552 4.387 -7.658 1.00 0.35 H new ATOM 0 HA ASP A 76 11.111 6.252 -5.475 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.319 7.807 -6.854 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.546 6.596 -8.100 1.00 0.44 H new ATOM 1195 N PHE A 77 8.665 6.346 -4.478 1.00 0.41 N ATOM 1196 CA PHE A 77 7.568 6.085 -3.550 1.00 0.49 C ATOM 1197 C PHE A 77 6.426 5.352 -4.244 1.00 0.39 C ATOM 1198 O PHE A 77 5.957 4.318 -3.775 1.00 0.39 O ATOM 1199 CB PHE A 77 7.058 7.403 -2.989 1.00 0.72 C ATOM 1200 CG PHE A 77 6.412 7.281 -1.642 1.00 1.76 C ATOM 1201 CD1 PHE A 77 7.170 7.356 -0.488 1.00 2.66 C ATOM 1202 CD2 PHE A 77 5.047 7.094 -1.533 1.00 2.56 C ATOM 1203 CE1 PHE A 77 6.576 7.245 0.753 1.00 3.77 C ATOM 1204 CE2 PHE A 77 4.448 6.982 -0.296 1.00 3.67 C ATOM 1205 CZ PHE A 77 5.213 7.057 0.849 1.00 4.15 C ATOM 0 H PHE A 77 9.001 7.309 -4.466 1.00 0.41 H new ATOM 0 HA PHE A 77 7.941 5.454 -2.743 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.890 8.103 -2.920 1.00 0.72 H new ATOM 0 HB3 PHE A 77 6.339 7.830 -3.688 1.00 0.72 H new ATOM 0 HD1 PHE A 77 8.238 7.503 -0.558 1.00 2.66 H new ATOM 0 HD2 PHE A 77 4.443 7.035 -2.426 1.00 2.56 H new ATOM 0 HE1 PHE A 77 7.178 7.305 1.648 1.00 3.77 H new ATOM 0 HE2 PHE A 77 3.380 6.836 -0.224 1.00 3.67 H new ATOM 0 HZ PHE A 77 4.746 6.969 1.819 1.00 4.15 H new ATOM 1215 N SER A 78 6.011 5.896 -5.375 1.00 0.39 N ATOM 1216 CA SER A 78 4.928 5.338 -6.167 1.00 0.38 C ATOM 1217 C SER A 78 5.221 3.895 -6.569 1.00 0.38 C ATOM 1218 O SER A 78 4.347 3.029 -6.507 1.00 0.44 O ATOM 1219 CB SER A 78 4.737 6.182 -7.423 1.00 0.45 C ATOM 1220 OG SER A 78 5.214 7.506 -7.223 1.00 1.31 O ATOM 0 H SER A 78 6.418 6.743 -5.772 1.00 0.39 H new ATOM 0 HA SER A 78 4.021 5.347 -5.562 1.00 0.38 H new ATOM 0 HB2 SER A 78 5.266 5.723 -8.258 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.681 6.208 -7.691 1.00 0.45 H new ATOM 0 HG SER A 78 6.134 7.575 -7.553 1.00 1.31 H new ATOM 1226 N GLU A 79 6.461 3.636 -6.958 1.00 0.36 N ATOM 1227 CA GLU A 79 6.831 2.326 -7.472 1.00 0.42 C ATOM 1228 C GLU A 79 7.048 1.348 -6.336 1.00 0.33 C ATOM 1229 O GLU A 79 6.794 0.151 -6.465 1.00 0.33 O ATOM 1230 CB GLU A 79 8.073 2.425 -8.348 1.00 0.51 C ATOM 1231 CG GLU A 79 7.850 3.289 -9.572 1.00 0.64 C ATOM 1232 CD GLU A 79 6.504 3.026 -10.223 1.00 1.81 C ATOM 1233 OE1 GLU A 79 6.326 1.947 -10.821 1.00 2.57 O ATOM 1234 OE2 GLU A 79 5.616 3.899 -10.139 1.00 2.54 O ATOM 0 H GLU A 79 7.224 4.312 -6.928 1.00 0.36 H new ATOM 0 HA GLU A 79 6.011 1.954 -8.087 1.00 0.42 H new ATOM 0 HB2 GLU A 79 8.896 2.835 -7.762 1.00 0.51 H new ATOM 0 HB3 GLU A 79 8.373 1.425 -8.662 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.916 4.340 -9.290 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.644 3.103 -10.295 1.00 0.64 H new ATOM 1241 N PHE A 80 7.501 1.871 -5.216 1.00 0.28 N ATOM 1242 CA PHE A 80 7.659 1.077 -4.020 1.00 0.25 C ATOM 1243 C PHE A 80 6.292 0.707 -3.451 1.00 0.23 C ATOM 1244 O PHE A 80 6.146 -0.281 -2.739 1.00 0.26 O ATOM 1245 CB PHE A 80 8.481 1.836 -2.991 1.00 0.31 C ATOM 1246 CG PHE A 80 9.621 1.031 -2.480 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.458 0.166 -1.418 1.00 1.60 C ATOM 1248 CD2 PHE A 80 10.849 1.122 -3.084 1.00 1.26 C ATOM 1249 CE1 PHE A 80 10.515 -0.595 -0.969 1.00 1.98 C ATOM 1250 CE2 PHE A 80 11.909 0.365 -2.645 1.00 1.56 C ATOM 1251 CZ PHE A 80 11.742 -0.496 -1.581 1.00 1.64 C ATOM 0 H PHE A 80 7.767 2.850 -5.111 1.00 0.28 H new ATOM 0 HA PHE A 80 8.188 0.158 -4.273 1.00 0.25 H new ATOM 0 HB2 PHE A 80 8.859 2.756 -3.437 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.840 2.125 -2.158 1.00 0.31 H new ATOM 0 HD1 PHE A 80 8.495 0.085 -0.935 1.00 1.60 H new ATOM 0 HD2 PHE A 80 10.985 1.797 -3.916 1.00 1.26 H new ATOM 0 HE1 PHE A 80 10.380 -1.269 -0.136 1.00 1.98 H new ATOM 0 HE2 PHE A 80 12.870 0.444 -3.132 1.00 1.56 H new ATOM 0 HZ PHE A 80 12.572 -1.091 -1.230 1.00 1.64 H new ATOM 1261 N LEU A 81 5.289 1.511 -3.771 1.00 0.25 N ATOM 1262 CA LEU A 81 3.921 1.193 -3.399 1.00 0.26 C ATOM 1263 C LEU A 81 3.350 0.151 -4.338 1.00 0.26 C ATOM 1264 O LEU A 81 2.504 -0.648 -3.948 1.00 0.27 O ATOM 1265 CB LEU A 81 3.049 2.438 -3.406 1.00 0.29 C ATOM 1266 CG LEU A 81 3.415 3.483 -2.351 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.546 4.708 -2.507 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.287 2.898 -0.940 1.00 0.29 C ATOM 0 H LEU A 81 5.397 2.385 -4.286 1.00 0.25 H new ATOM 0 HA LEU A 81 3.932 0.791 -2.386 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.108 2.901 -4.391 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.012 2.139 -3.256 1.00 0.29 H new ATOM 0 HG LEU A 81 4.454 3.777 -2.498 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.816 5.445 -1.750 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.694 5.135 -3.499 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.499 4.430 -2.385 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.552 3.658 -0.205 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.260 2.574 -0.772 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.958 2.045 -0.838 1.00 0.29 H new ATOM 1280 N ASN A 82 3.812 0.162 -5.582 1.00 0.26 N ATOM 1281 CA ASN A 82 3.492 -0.903 -6.514 1.00 0.26 C ATOM 1282 C ASN A 82 4.019 -2.216 -5.970 1.00 0.23 C ATOM 1283 O ASN A 82 3.423 -3.278 -6.150 1.00 0.25 O ATOM 1284 CB ASN A 82 4.105 -0.628 -7.886 1.00 0.30 C ATOM 1285 CG ASN A 82 3.328 0.416 -8.667 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.124 0.581 -8.474 1.00 1.51 O ATOM 1287 ND2 ASN A 82 3.999 1.117 -9.565 1.00 1.42 N ATOM 0 H ASN A 82 4.408 0.896 -5.965 1.00 0.26 H new ATOM 0 HA ASN A 82 2.409 -0.956 -6.629 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.134 -0.292 -7.761 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.139 -1.555 -8.458 1.00 0.30 H new ATOM 0 HD21 ASN A 82 3.519 1.822 -10.125 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.997 0.953 -9.698 1.00 1.42 H new ATOM 1294 N LEU A 83 5.155 -2.116 -5.304 1.00 0.23 N ATOM 1295 CA LEU A 83 5.729 -3.226 -4.574 1.00 0.24 C ATOM 1296 C LEU A 83 4.800 -3.676 -3.464 1.00 0.23 C ATOM 1297 O LEU A 83 4.441 -4.848 -3.386 1.00 0.25 O ATOM 1298 CB LEU A 83 7.046 -2.808 -3.964 1.00 0.27 C ATOM 1299 CG LEU A 83 7.517 -3.709 -2.832 1.00 0.31 C ATOM 1300 CD1 LEU A 83 7.920 -5.078 -3.359 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.650 -3.062 -2.071 1.00 0.36 C ATOM 0 H LEU A 83 5.706 -1.259 -5.256 1.00 0.23 H new ATOM 0 HA LEU A 83 5.881 -4.050 -5.271 1.00 0.24 H new ATOM 0 HB2 LEU A 83 7.807 -2.793 -4.744 1.00 0.27 H new ATOM 0 HB3 LEU A 83 6.954 -1.789 -3.589 1.00 0.27 H new ATOM 0 HG LEU A 83 6.686 -3.851 -2.141 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.253 -5.703 -2.531 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.065 -5.546 -3.846 1.00 0.35 H new ATOM 0 HD13 LEU A 83 8.731 -4.967 -4.078 1.00 0.35 H new ATOM 0 HD21 LEU A 83 8.972 -3.723 -1.266 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.485 -2.880 -2.747 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.312 -2.115 -1.650 1.00 0.36 H new ATOM 1313 N ILE A 84 4.439 -2.735 -2.598 1.00 0.24 N ATOM 1314 CA ILE A 84 3.506 -2.996 -1.514 1.00 0.26 C ATOM 1315 C ILE A 84 2.227 -3.625 -2.064 1.00 0.27 C ATOM 1316 O ILE A 84 1.580 -4.434 -1.397 1.00 0.29 O ATOM 1317 CB ILE A 84 3.199 -1.693 -0.739 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.419 -1.258 0.080 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.976 -1.847 0.160 1.00 0.47 C ATOM 1320 CD1 ILE A 84 4.807 -2.223 1.179 1.00 0.62 C ATOM 0 H ILE A 84 4.784 -1.776 -2.629 1.00 0.24 H new ATOM 0 HA ILE A 84 3.960 -3.700 -0.817 1.00 0.26 H new ATOM 0 HB ILE A 84 2.972 -0.918 -1.471 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.267 -1.131 -0.593 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.216 -0.283 0.523 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.792 -0.911 0.688 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.107 -2.097 -0.448 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.154 -2.643 0.883 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.679 -1.839 1.709 1.00 0.62 H new ATOM 0 HD12 ILE A 84 3.977 -2.332 1.877 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.045 -3.194 0.744 1.00 0.62 H new ATOM 1332 N GLY A 85 1.904 -3.280 -3.305 1.00 0.26 N ATOM 1333 CA GLY A 85 0.802 -3.900 -3.990 1.00 0.29 C ATOM 1334 C GLY A 85 1.029 -5.384 -4.174 1.00 0.29 C ATOM 1335 O GLY A 85 0.252 -6.191 -3.684 1.00 0.33 O ATOM 0 H GLY A 85 2.397 -2.572 -3.849 1.00 0.26 H new ATOM 0 HA2 GLY A 85 -0.116 -3.738 -3.425 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.665 -3.428 -4.963 1.00 0.29 H new ATOM 1339 N GLY A 86 2.143 -5.745 -4.808 1.00 0.28 N ATOM 1340 CA GLY A 86 2.413 -7.145 -5.102 1.00 0.31 C ATOM 1341 C GLY A 86 2.650 -7.933 -3.837 1.00 0.29 C ATOM 1342 O GLY A 86 2.377 -9.131 -3.765 1.00 0.35 O ATOM 0 H GLY A 86 2.863 -5.095 -5.123 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.572 -7.573 -5.648 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.286 -7.221 -5.750 1.00 0.31 H new ATOM 1346 N LEU A 87 3.143 -7.230 -2.835 1.00 0.25 N ATOM 1347 CA LEU A 87 3.373 -7.792 -1.520 1.00 0.25 C ATOM 1348 C LEU A 87 2.050 -8.145 -0.863 1.00 0.26 C ATOM 1349 O LEU A 87 1.806 -9.302 -0.511 1.00 0.29 O ATOM 1350 CB LEU A 87 4.107 -6.776 -0.655 1.00 0.25 C ATOM 1351 CG LEU A 87 5.619 -6.704 -0.834 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.155 -5.458 -0.156 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.288 -7.942 -0.254 1.00 0.35 C ATOM 0 H LEU A 87 3.397 -6.245 -2.913 1.00 0.25 H new ATOM 0 HA LEU A 87 3.975 -8.695 -1.622 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.691 -5.789 -0.859 1.00 0.25 H new ATOM 0 HB3 LEU A 87 3.897 -7.001 0.391 1.00 0.25 H new ATOM 0 HG LEU A 87 5.843 -6.660 -1.900 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.236 -5.410 -0.286 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.696 -4.575 -0.602 1.00 0.26 H new ATOM 0 HD13 LEU A 87 5.918 -5.492 0.907 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.367 -7.871 -0.392 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.062 -8.013 0.810 1.00 0.35 H new ATOM 0 HD23 LEU A 87 5.915 -8.830 -0.764 1.00 0.35 H new ATOM 1365 N ALA A 88 1.196 -7.138 -0.715 1.00 0.25 N ATOM 1366 CA ALA A 88 -0.106 -7.319 -0.099 1.00 0.27 C ATOM 1367 C ALA A 88 -0.914 -8.336 -0.850 1.00 0.30 C ATOM 1368 O ALA A 88 -1.653 -9.113 -0.268 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.881 -6.024 -0.080 1.00 0.27 C ATOM 0 H ALA A 88 1.388 -6.183 -1.017 1.00 0.25 H new ATOM 0 HA ALA A 88 0.068 -7.660 0.922 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.852 -6.188 0.387 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.327 -5.277 0.488 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -1.024 -5.671 -1.101 1.00 0.27 H new ATOM 1375 N MET A 89 -0.774 -8.299 -2.155 1.00 0.29 N ATOM 1376 CA MET A 89 -1.479 -9.205 -3.025 1.00 0.33 C ATOM 1377 C MET A 89 -1.075 -10.640 -2.749 1.00 0.34 C ATOM 1378 O MET A 89 -1.912 -11.538 -2.730 1.00 0.39 O ATOM 1379 CB MET A 89 -1.194 -8.838 -4.469 1.00 0.35 C ATOM 1380 CG MET A 89 -1.903 -7.575 -4.905 1.00 0.42 C ATOM 1381 SD MET A 89 -1.642 -7.218 -6.655 1.00 1.03 S ATOM 1382 CE MET A 89 -2.138 -8.769 -7.407 1.00 1.89 C ATOM 0 H MET A 89 -0.167 -7.639 -2.641 1.00 0.29 H new ATOM 0 HA MET A 89 -2.549 -9.119 -2.837 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.120 -8.710 -4.601 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.499 -9.661 -5.115 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.971 -7.674 -4.711 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.547 -6.736 -4.307 1.00 0.42 H new ATOM 0 HE1 MET A 89 -2.390 -8.601 -8.454 1.00 1.89 H new ATOM 0 HE2 MET A 89 -1.318 -9.484 -7.341 1.00 1.89 H new ATOM 0 HE3 MET A 89 -3.008 -9.166 -6.883 1.00 1.89 H new ATOM 1392 N ALA A 90 0.210 -10.846 -2.510 1.00 0.34 N ATOM 1393 CA ALA A 90 0.726 -12.170 -2.219 1.00 0.40 C ATOM 1394 C ALA A 90 0.274 -12.620 -0.837 1.00 0.42 C ATOM 1395 O ALA A 90 -0.080 -13.779 -0.632 1.00 0.49 O ATOM 1396 CB ALA A 90 2.241 -12.168 -2.318 1.00 0.46 C ATOM 0 H ALA A 90 0.915 -10.109 -2.512 1.00 0.34 H new ATOM 0 HA ALA A 90 0.332 -12.875 -2.951 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.621 -13.166 -2.098 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.539 -11.880 -3.326 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.652 -11.457 -1.601 1.00 0.46 H new ATOM 1402 N CYS A 91 0.268 -11.681 0.100 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.143 -11.956 1.471 1.00 0.47 C ATOM 1404 C CYS A 91 -1.646 -12.214 1.549 1.00 0.45 C ATOM 1405 O CYS A 91 -2.100 -13.087 2.284 1.00 0.51 O ATOM 1406 CB CYS A 91 0.242 -10.784 2.374 1.00 0.55 C ATOM 1407 SG CYS A 91 2.007 -10.392 2.349 1.00 1.76 S ATOM 0 H CYS A 91 0.546 -10.714 -0.067 1.00 0.41 H new ATOM 0 HA CYS A 91 0.372 -12.854 1.812 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.321 -9.902 2.068 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.055 -11.013 3.397 1.00 0.55 H new ATOM 0 HG CYS A 91 2.320 -9.871 1.200 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.411 -11.454 0.780 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.854 -11.624 0.723 1.00 0.46 C ATOM 1415 C HIS A 92 -4.187 -12.920 0.010 1.00 0.45 C ATOM 1416 O HIS A 92 -5.091 -13.638 0.412 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.520 -10.443 0.011 1.00 0.54 C ATOM 1418 CG HIS A 92 -6.014 -10.557 -0.087 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.684 -10.614 -1.286 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.967 -10.615 0.876 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.981 -10.700 -1.062 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -8.184 -10.705 0.243 1.00 2.62 N ATOM 0 H HIS A 92 -2.053 -10.709 0.183 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.238 -11.662 1.742 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.269 -9.524 0.540 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.105 -10.356 -0.993 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -6.801 -10.594 1.943 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.749 -10.757 -1.819 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -9.092 -10.766 0.704 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.446 -13.214 -1.044 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.601 -14.476 -1.748 1.00 0.52 C ATOM 1433 C ASP A 93 -3.288 -15.633 -0.805 1.00 0.56 C ATOM 1434 O ASP A 93 -3.968 -16.652 -0.807 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.689 -14.513 -2.970 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.841 -15.789 -3.774 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.859 -15.931 -4.487 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -1.941 -16.654 -3.699 1.00 1.48 O ATOM 0 H ASP A 93 -2.732 -12.597 -1.431 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.632 -14.573 -2.090 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.909 -13.657 -3.609 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.652 -14.412 -2.648 1.00 0.54 H new ATOM 1443 N SER A 94 -2.272 -15.442 0.029 1.00 0.54 N ATOM 1444 CA SER A 94 -1.938 -16.405 1.070 1.00 0.60 C ATOM 1445 C SER A 94 -3.095 -16.527 2.051 1.00 0.63 C ATOM 1446 O SER A 94 -3.434 -17.616 2.493 1.00 0.70 O ATOM 1447 CB SER A 94 -0.682 -15.966 1.821 1.00 0.65 C ATOM 1448 OG SER A 94 0.424 -15.825 0.946 1.00 1.27 O ATOM 0 H SER A 94 -1.663 -14.624 0.003 1.00 0.54 H new ATOM 0 HA SER A 94 -1.752 -17.371 0.601 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.871 -15.019 2.326 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.445 -16.697 2.594 1.00 0.65 H new ATOM 0 HG SER A 94 0.228 -15.133 0.280 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.688 -15.386 2.374 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.846 -15.314 3.251 1.00 0.66 C ATOM 1456 C PHE A 95 -5.992 -16.133 2.669 1.00 0.72 C ATOM 1457 O PHE A 95 -6.692 -16.838 3.386 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.255 -13.846 3.408 1.00 0.64 C ATOM 1459 CG PHE A 95 -6.255 -13.582 4.495 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -6.034 -14.040 5.783 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -7.404 -12.854 4.234 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -6.944 -13.780 6.788 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -8.318 -12.594 5.236 1.00 2.35 C ATOM 1464 CZ PHE A 95 -8.087 -13.056 6.515 1.00 2.08 C ATOM 0 H PHE A 95 -3.376 -14.477 2.031 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.599 -15.726 4.230 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.361 -13.254 3.605 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.667 -13.496 2.462 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -5.141 -14.606 6.003 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -7.587 -12.485 3.235 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -6.761 -14.143 7.789 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -9.213 -12.030 5.018 1.00 2.35 H new ATOM 0 HZ PHE A 95 -8.799 -12.852 7.301 1.00 2.08 H new ATOM 1474 N LEU A 96 -6.152 -16.046 1.356 1.00 0.69 N ATOM 1475 CA LEU A 96 -7.166 -16.810 0.641 1.00 0.81 C ATOM 1476 C LEU A 96 -6.840 -18.291 0.678 1.00 0.90 C ATOM 1477 O LEU A 96 -7.719 -19.135 0.844 1.00 1.09 O ATOM 1478 CB LEU A 96 -7.253 -16.341 -0.813 1.00 0.83 C ATOM 1479 CG LEU A 96 -8.231 -15.201 -1.093 1.00 0.87 C ATOM 1480 CD1 LEU A 96 -9.665 -15.676 -0.943 1.00 1.21 C ATOM 1481 CD2 LEU A 96 -7.965 -14.029 -0.171 1.00 1.08 C ATOM 0 H LEU A 96 -5.585 -15.446 0.757 1.00 0.69 H new ATOM 0 HA LEU A 96 -8.126 -16.646 1.130 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -6.259 -16.027 -1.132 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -7.533 -17.193 -1.432 1.00 0.83 H new ATOM 0 HG LEU A 96 -8.082 -14.872 -2.121 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -10.345 -14.849 -1.147 1.00 1.21 H new ATOM 0 HD12 LEU A 96 -9.856 -16.485 -1.648 1.00 1.21 H new ATOM 0 HD13 LEU A 96 -9.825 -16.035 0.074 1.00 1.21 H new ATOM 0 HD21 LEU A 96 -8.672 -13.228 -0.387 1.00 1.08 H new ATOM 0 HD22 LEU A 96 -8.082 -14.347 0.865 1.00 1.08 H new ATOM 0 HD23 LEU A 96 -6.949 -13.667 -0.327 1.00 1.08 H new ATOM 1493 N LYS A 97 -5.563 -18.588 0.538 1.00 0.83 N ATOM 1494 CA LYS A 97 -5.082 -19.958 0.511 1.00 0.93 C ATOM 1495 C LYS A 97 -4.895 -20.494 1.928 1.00 0.97 C ATOM 1496 O LYS A 97 -4.434 -21.620 2.120 1.00 1.12 O ATOM 1497 CB LYS A 97 -3.762 -20.029 -0.273 1.00 0.93 C ATOM 1498 CG LYS A 97 -3.926 -20.093 -1.793 1.00 0.99 C ATOM 1499 CD LYS A 97 -4.876 -19.035 -2.328 1.00 1.25 C ATOM 1500 CE LYS A 97 -5.073 -19.159 -3.828 1.00 2.06 C ATOM 1501 NZ LYS A 97 -5.648 -20.478 -4.207 1.00 2.65 N ATOM 0 H LYS A 97 -4.828 -17.887 0.440 1.00 0.83 H new ATOM 0 HA LYS A 97 -5.824 -20.581 0.012 1.00 0.93 H new ATOM 0 HB2 LYS A 97 -3.159 -19.157 -0.022 1.00 0.93 H new ATOM 0 HB3 LYS A 97 -3.206 -20.907 0.056 1.00 0.93 H new ATOM 0 HG2 LYS A 97 -2.951 -19.971 -2.264 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -4.294 -21.080 -2.073 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -5.840 -19.125 -1.826 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -4.486 -18.045 -2.094 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -5.732 -18.363 -4.174 1.00 2.06 H new ATOM 0 HE3 LYS A 97 -4.116 -19.022 -4.332 1.00 2.06 H new ATOM 0 HZ1 LYS A 97 -6.016 -20.430 -5.178 1.00 2.65 H new ATOM 0 HZ2 LYS A 97 -4.909 -21.208 -4.153 1.00 2.65 H new ATOM 0 HZ3 LYS A 97 -6.421 -20.720 -3.555 1.00 2.65 H new ATOM 1515 N ALA A 98 -5.271 -19.688 2.914 1.00 0.99 N ATOM 1516 CA ALA A 98 -5.129 -20.066 4.309 1.00 1.06 C ATOM 1517 C ALA A 98 -6.475 -20.029 5.028 1.00 1.09 C ATOM 1518 O ALA A 98 -7.019 -21.071 5.394 1.00 1.23 O ATOM 1519 CB ALA A 98 -4.126 -19.157 5.008 1.00 1.00 C ATOM 0 H ALA A 98 -5.678 -18.764 2.769 1.00 0.99 H new ATOM 0 HA ALA A 98 -4.756 -21.090 4.345 1.00 1.06 H new ATOM 0 HB1 ALA A 98 -4.032 -19.454 6.052 1.00 1.00 H new ATOM 0 HB2 ALA A 98 -3.156 -19.241 4.518 1.00 1.00 H new ATOM 0 HB3 ALA A 98 -4.472 -18.125 4.954 1.00 1.00 H new ATOM 1525 N VAL A 99 -7.013 -18.828 5.198 1.00 1.00 N ATOM 1526 CA VAL A 99 -8.279 -18.627 5.894 1.00 1.06 C ATOM 1527 C VAL A 99 -8.716 -17.164 5.783 1.00 1.00 C ATOM 1528 O VAL A 99 -8.432 -16.335 6.645 1.00 1.01 O ATOM 1529 CB VAL A 99 -8.209 -19.059 7.383 1.00 1.16 C ATOM 1530 CG1 VAL A 99 -7.047 -18.389 8.110 1.00 1.13 C ATOM 1531 CG2 VAL A 99 -9.531 -18.768 8.081 1.00 1.24 C ATOM 0 H VAL A 99 -6.585 -17.967 4.858 1.00 1.00 H new ATOM 0 HA VAL A 99 -9.020 -19.264 5.410 1.00 1.06 H new ATOM 0 HB VAL A 99 -8.030 -20.134 7.412 1.00 1.16 H new ATOM 0 HG11 VAL A 99 -7.031 -18.716 9.150 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -6.109 -18.665 7.628 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -7.170 -17.307 8.072 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -9.467 -19.076 9.125 1.00 1.24 H new ATOM 0 HG22 VAL A 99 -9.742 -17.700 8.030 1.00 1.24 H new ATOM 0 HG23 VAL A 99 -10.332 -19.319 7.588 1.00 1.24 H new ATOM 1541 N PRO A 100 -9.423 -16.826 4.707 1.00 1.00 N ATOM 1542 CA PRO A 100 -9.824 -15.458 4.429 1.00 1.02 C ATOM 1543 C PRO A 100 -11.151 -15.103 5.090 1.00 1.28 C ATOM 1544 O PRO A 100 -11.989 -14.416 4.510 1.00 1.60 O ATOM 1545 CB PRO A 100 -9.936 -15.453 2.907 1.00 1.04 C ATOM 1546 CG PRO A 100 -10.326 -16.850 2.540 1.00 1.03 C ATOM 1547 CD PRO A 100 -9.903 -17.754 3.676 1.00 1.06 C ATOM 0 HA PRO A 100 -9.124 -14.719 4.819 1.00 1.02 H new ATOM 0 HB2 PRO A 100 -10.682 -14.734 2.569 1.00 1.04 H new ATOM 0 HB3 PRO A 100 -8.990 -15.173 2.443 1.00 1.04 H new ATOM 0 HG2 PRO A 100 -11.402 -16.917 2.377 1.00 1.03 H new ATOM 0 HG3 PRO A 100 -9.843 -17.151 1.610 1.00 1.03 H new ATOM 0 HD2 PRO A 100 -10.736 -18.357 4.038 1.00 1.06 H new ATOM 0 HD3 PRO A 100 -9.120 -18.446 3.366 1.00 1.06 H new ATOM 1555 N SER A 101 -11.320 -15.569 6.319 1.00 1.57 N ATOM 1556 CA SER A 101 -12.543 -15.344 7.069 1.00 1.88 C ATOM 1557 C SER A 101 -12.307 -14.280 8.143 1.00 1.62 C ATOM 1558 O SER A 101 -12.745 -14.426 9.284 1.00 1.94 O ATOM 1559 CB SER A 101 -13.014 -16.662 7.696 1.00 2.76 C ATOM 1560 OG SER A 101 -14.332 -16.558 8.213 1.00 3.39 O ATOM 0 H SER A 101 -10.616 -16.111 6.821 1.00 1.57 H new ATOM 0 HA SER A 101 -13.322 -14.983 6.397 1.00 1.88 H new ATOM 0 HB2 SER A 101 -12.978 -17.454 6.948 1.00 2.76 H new ATOM 0 HB3 SER A 101 -12.331 -16.949 8.496 1.00 2.76 H new ATOM 0 HG SER A 101 -14.376 -15.814 8.850 1.00 3.39 H new ATOM 1566 N GLN A 102 -11.592 -13.223 7.755 1.00 1.61 N ATOM 1567 CA GLN A 102 -11.298 -12.081 8.631 1.00 2.12 C ATOM 1568 C GLN A 102 -10.332 -12.466 9.749 1.00 2.74 C ATOM 1569 O GLN A 102 -10.698 -13.177 10.685 1.00 3.39 O ATOM 1570 CB GLN A 102 -12.579 -11.487 9.241 1.00 2.47 C ATOM 1571 CG GLN A 102 -13.576 -10.972 8.214 1.00 3.02 C ATOM 1572 CD GLN A 102 -14.742 -10.220 8.838 1.00 3.87 C ATOM 1573 OE1 GLN A 102 -15.310 -9.316 8.226 1.00 4.45 O ATOM 1574 NE2 GLN A 102 -15.113 -10.586 10.056 1.00 4.44 N ATOM 0 H GLN A 102 -11.197 -13.132 6.819 1.00 1.61 H new ATOM 0 HA GLN A 102 -10.827 -11.324 8.004 1.00 2.12 H new ATOM 0 HB2 GLN A 102 -13.064 -12.248 9.852 1.00 2.47 H new ATOM 0 HB3 GLN A 102 -12.306 -10.669 9.908 1.00 2.47 H new ATOM 0 HG2 GLN A 102 -13.060 -10.314 7.514 1.00 3.02 H new ATOM 0 HG3 GLN A 102 -13.961 -11.813 7.637 1.00 3.02 H new ATOM 0 HE21 GLN A 102 -14.620 -11.340 10.534 1.00 4.44 H new ATOM 0 HE22 GLN A 102 -15.892 -10.114 10.515 1.00 4.44 H new ATOM 1583 N LYS A 103 -9.100 -11.985 9.655 1.00 3.15 N ATOM 1584 CA LYS A 103 -8.105 -12.232 10.690 1.00 4.06 C ATOM 1585 C LYS A 103 -8.213 -11.158 11.769 1.00 4.57 C ATOM 1586 O LYS A 103 -7.281 -10.389 12.014 1.00 5.24 O ATOM 1587 CB LYS A 103 -6.695 -12.262 10.092 1.00 4.73 C ATOM 1588 CG LYS A 103 -5.632 -12.766 11.059 1.00 5.30 C ATOM 1589 CD LYS A 103 -4.266 -12.870 10.399 1.00 6.25 C ATOM 1590 CE LYS A 103 -4.249 -13.925 9.303 1.00 6.82 C ATOM 1591 NZ LYS A 103 -2.898 -14.088 8.711 1.00 7.43 N ATOM 0 H LYS A 103 -8.765 -11.422 8.873 1.00 3.15 H new ATOM 0 HA LYS A 103 -8.295 -13.207 11.140 1.00 4.06 H new ATOM 0 HB2 LYS A 103 -6.699 -12.897 9.206 1.00 4.73 H new ATOM 0 HB3 LYS A 103 -6.428 -11.258 9.763 1.00 4.73 H new ATOM 0 HG2 LYS A 103 -5.571 -12.093 11.914 1.00 5.30 H new ATOM 0 HG3 LYS A 103 -5.925 -13.743 11.443 1.00 5.30 H new ATOM 0 HD2 LYS A 103 -3.991 -11.903 9.978 1.00 6.25 H new ATOM 0 HD3 LYS A 103 -3.516 -13.115 11.151 1.00 6.25 H new ATOM 0 HE2 LYS A 103 -4.583 -14.878 9.712 1.00 6.82 H new ATOM 0 HE3 LYS A 103 -4.957 -13.648 8.522 1.00 6.82 H new ATOM 0 HZ1 LYS A 103 -2.930 -14.816 7.969 1.00 7.43 H new ATOM 0 HZ2 LYS A 103 -2.589 -13.185 8.298 1.00 7.43 H new ATOM 0 HZ3 LYS A 103 -2.227 -14.378 9.451 1.00 7.43 H new ATOM 1605 N ARG A 104 -9.372 -11.115 12.403 1.00 4.68 N ATOM 1606 CA ARG A 104 -9.660 -10.137 13.437 1.00 5.53 C ATOM 1607 C ARG A 104 -10.938 -10.544 14.150 1.00 5.66 C ATOM 1608 O ARG A 104 -10.986 -10.643 15.376 1.00 5.96 O ATOM 1609 CB ARG A 104 -9.830 -8.739 12.830 1.00 6.11 C ATOM 1610 CG ARG A 104 -9.826 -7.619 13.862 1.00 6.81 C ATOM 1611 CD ARG A 104 -8.414 -7.302 14.331 1.00 7.63 C ATOM 1612 NE ARG A 104 -7.619 -6.681 13.271 1.00 8.13 N ATOM 1613 CZ ARG A 104 -6.318 -6.903 13.074 1.00 8.95 C ATOM 1614 NH1 ARG A 104 -5.653 -7.743 13.860 1.00 9.34 N ATOM 1615 NH2 ARG A 104 -5.683 -6.284 12.086 1.00 9.59 N ATOM 0 H ARG A 104 -10.141 -11.758 12.215 1.00 4.68 H new ATOM 0 HA ARG A 104 -8.829 -10.104 14.141 1.00 5.53 H new ATOM 0 HB2 ARG A 104 -9.028 -8.564 12.113 1.00 6.11 H new ATOM 0 HB3 ARG A 104 -10.767 -8.705 12.274 1.00 6.11 H new ATOM 0 HG2 ARG A 104 -10.278 -6.725 13.433 1.00 6.81 H new ATOM 0 HG3 ARG A 104 -10.439 -7.907 14.716 1.00 6.81 H new ATOM 0 HD2 ARG A 104 -8.458 -6.635 15.192 1.00 7.63 H new ATOM 0 HD3 ARG A 104 -7.926 -8.219 14.663 1.00 7.63 H new ATOM 0 HE ARG A 104 -8.092 -6.034 12.640 1.00 8.13 H new ATOM 0 HH11 ARG A 104 -6.137 -8.222 14.619 1.00 9.34 H new ATOM 0 HH12 ARG A 104 -4.659 -7.908 13.704 1.00 9.34 H new ATOM 0 HH21 ARG A 104 -6.190 -5.640 11.479 1.00 9.59 H new ATOM 0 HH22 ARG A 104 -4.689 -6.453 11.934 1.00 9.59 H new ATOM 1629 N THR A 105 -11.970 -10.789 13.358 1.00 5.79 N ATOM 1630 CA THR A 105 -13.252 -11.223 13.873 1.00 6.20 C ATOM 1631 C THR A 105 -13.696 -12.491 13.149 1.00 6.46 C ATOM 1632 O THR A 105 -13.420 -13.597 13.663 1.00 6.80 O ATOM 1633 CB THR A 105 -14.312 -10.121 13.698 1.00 6.59 C ATOM 1634 OG1 THR A 105 -13.788 -8.872 14.175 1.00 6.66 O ATOM 1635 CG2 THR A 105 -15.585 -10.462 14.458 1.00 7.00 C ATOM 1636 OXT THR A 105 -14.282 -12.383 12.055 1.00 6.62 O ATOM 0 H THR A 105 -11.939 -10.692 12.343 1.00 5.79 H new ATOM 0 HA THR A 105 -13.146 -11.432 14.938 1.00 6.20 H new ATOM 0 HB THR A 105 -14.555 -10.042 12.638 1.00 6.59 H new ATOM 0 HG1 THR A 105 -14.462 -8.170 14.062 1.00 6.66 H new ATOM 0 HG21 THR A 105 -16.317 -9.667 14.317 1.00 7.00 H new ATOM 0 HG22 THR A 105 -15.992 -11.401 14.083 1.00 7.00 H new ATOM 0 HG23 THR A 105 -15.359 -10.563 15.519 1.00 7.00 H new TER 1644 THR A 105 ATOM 1645 N MET B 1 20.047 -18.797 17.192 1.00 7.64 N ATOM 1646 CA MET B 1 18.927 -18.881 16.226 1.00 7.05 C ATOM 1647 C MET B 1 18.245 -17.529 16.087 1.00 6.85 C ATOM 1648 O MET B 1 17.273 -17.234 16.787 1.00 7.13 O ATOM 1649 CB MET B 1 17.905 -19.932 16.673 1.00 7.11 C ATOM 1650 CG MET B 1 18.439 -21.355 16.659 1.00 7.39 C ATOM 1651 SD MET B 1 18.967 -21.887 15.018 1.00 7.66 S ATOM 1652 CE MET B 1 17.422 -21.805 14.110 1.00 7.91 C ATOM 0 H1 MET B 1 20.566 -19.698 17.201 1.00 7.64 H new ATOM 0 H2 MET B 1 20.690 -18.030 16.912 1.00 7.64 H new ATOM 0 H3 MET B 1 19.672 -18.604 18.143 1.00 7.64 H new ATOM 0 HA MET B 1 19.335 -19.176 15.259 1.00 7.05 H new ATOM 0 HB2 MET B 1 17.568 -19.691 17.681 1.00 7.11 H new ATOM 0 HB3 MET B 1 17.032 -19.875 16.023 1.00 7.11 H new ATOM 0 HG2 MET B 1 19.280 -21.429 17.348 1.00 7.39 H new ATOM 0 HG3 MET B 1 17.667 -22.032 17.024 1.00 7.39 H new ATOM 0 HE1 MET B 1 17.506 -22.393 13.196 1.00 7.91 H new ATOM 0 HE2 MET B 1 16.616 -22.205 14.726 1.00 7.91 H new ATOM 0 HE3 MET B 1 17.204 -20.768 13.856 1.00 7.91 H new ATOM 1664 N ALA B 2 18.755 -16.707 15.182 1.00 6.68 N ATOM 1665 CA ALA B 2 18.193 -15.388 14.940 1.00 6.74 C ATOM 1666 C ALA B 2 17.077 -15.470 13.908 1.00 6.15 C ATOM 1667 O ALA B 2 17.220 -15.007 12.773 1.00 6.28 O ATOM 1668 CB ALA B 2 19.279 -14.423 14.485 1.00 7.32 C ATOM 0 H ALA B 2 19.562 -16.933 14.600 1.00 6.68 H new ATOM 0 HA ALA B 2 17.771 -15.012 15.872 1.00 6.74 H new ATOM 0 HB1 ALA B 2 18.842 -13.440 14.308 1.00 7.32 H new ATOM 0 HB2 ALA B 2 20.044 -14.346 15.257 1.00 7.32 H new ATOM 0 HB3 ALA B 2 19.730 -14.791 13.563 1.00 7.32 H new ATOM 1674 N LYS B 3 15.969 -16.075 14.304 1.00 5.79 N ATOM 1675 CA LYS B 3 14.832 -16.237 13.417 1.00 5.53 C ATOM 1676 C LYS B 3 13.986 -14.970 13.421 1.00 5.00 C ATOM 1677 O LYS B 3 12.968 -14.887 14.111 1.00 5.14 O ATOM 1678 CB LYS B 3 13.984 -17.438 13.840 1.00 6.01 C ATOM 1679 CG LYS B 3 12.868 -17.770 12.859 1.00 6.28 C ATOM 1680 CD LYS B 3 11.905 -18.802 13.424 1.00 6.97 C ATOM 1681 CE LYS B 3 11.147 -18.258 14.626 1.00 7.46 C ATOM 1682 NZ LYS B 3 10.123 -19.214 15.116 1.00 7.93 N ATOM 0 H LYS B 3 15.834 -16.463 15.238 1.00 5.79 H new ATOM 0 HA LYS B 3 15.202 -16.416 12.407 1.00 5.53 H new ATOM 0 HB2 LYS B 3 14.631 -18.308 13.950 1.00 6.01 H new ATOM 0 HB3 LYS B 3 13.549 -17.238 14.819 1.00 6.01 H new ATOM 0 HG2 LYS B 3 12.321 -16.861 12.610 1.00 6.28 H new ATOM 0 HG3 LYS B 3 13.300 -18.146 11.931 1.00 6.28 H new ATOM 0 HD2 LYS B 3 11.197 -19.102 12.651 1.00 6.97 H new ATOM 0 HD3 LYS B 3 12.457 -19.696 13.715 1.00 6.97 H new ATOM 0 HE2 LYS B 3 11.851 -18.037 15.429 1.00 7.46 H new ATOM 0 HE3 LYS B 3 10.666 -17.318 14.356 1.00 7.46 H new ATOM 0 HZ1 LYS B 3 9.630 -18.805 15.935 1.00 7.93 H new ATOM 0 HZ2 LYS B 3 9.436 -19.406 14.359 1.00 7.93 H new ATOM 0 HZ3 LYS B 3 10.584 -20.102 15.398 1.00 7.93 H new ATOM 1696 N ILE B 4 14.417 -13.980 12.663 1.00 4.75 N ATOM 1697 CA ILE B 4 13.699 -12.723 12.584 1.00 4.41 C ATOM 1698 C ILE B 4 12.691 -12.768 11.442 1.00 3.66 C ATOM 1699 O ILE B 4 12.946 -12.275 10.342 1.00 3.91 O ATOM 1700 CB ILE B 4 14.657 -11.529 12.392 1.00 5.15 C ATOM 1701 CG1 ILE B 4 15.779 -11.580 13.433 1.00 5.78 C ATOM 1702 CG2 ILE B 4 13.894 -10.214 12.500 1.00 5.59 C ATOM 1703 CD1 ILE B 4 16.816 -10.493 13.262 1.00 6.54 C ATOM 0 H ILE B 4 15.262 -14.022 12.093 1.00 4.75 H new ATOM 0 HA ILE B 4 13.175 -12.582 13.529 1.00 4.41 H new ATOM 0 HB ILE B 4 15.099 -11.592 11.398 1.00 5.15 H new ATOM 0 HG12 ILE B 4 15.343 -11.500 14.429 1.00 5.78 H new ATOM 0 HG13 ILE B 4 16.271 -12.551 13.377 1.00 5.78 H new ATOM 0 HG21 ILE B 4 14.583 -9.381 12.362 1.00 5.59 H new ATOM 0 HG22 ILE B 4 13.122 -10.177 11.731 1.00 5.59 H new ATOM 0 HG23 ILE B 4 13.430 -10.142 13.484 1.00 5.59 H new ATOM 0 HD11 ILE B 4 17.578 -10.593 14.035 1.00 6.54 H new ATOM 0 HD12 ILE B 4 17.280 -10.584 12.280 1.00 6.54 H new ATOM 0 HD13 ILE B 4 16.338 -9.517 13.348 1.00 6.54 H new ATOM 1715 N SER B 5 11.557 -13.398 11.701 1.00 3.24 N ATOM 1716 CA SER B 5 10.491 -13.483 10.719 1.00 2.93 C ATOM 1717 C SER B 5 9.294 -12.661 11.189 1.00 2.01 C ATOM 1718 O SER B 5 8.208 -12.724 10.610 1.00 2.25 O ATOM 1719 CB SER B 5 10.095 -14.946 10.496 1.00 3.70 C ATOM 1720 OG SER B 5 9.150 -15.077 9.444 1.00 4.46 O ATOM 0 H SER B 5 11.351 -13.860 12.587 1.00 3.24 H new ATOM 0 HA SER B 5 10.840 -13.078 9.769 1.00 2.93 H new ATOM 0 HB2 SER B 5 10.984 -15.533 10.263 1.00 3.70 H new ATOM 0 HB3 SER B 5 9.676 -15.354 11.416 1.00 3.70 H new ATOM 0 HG SER B 5 8.594 -14.271 9.401 1.00 4.46 H new ATOM 1726 N SER B 6 9.514 -11.895 12.249 1.00 1.51 N ATOM 1727 CA SER B 6 8.496 -11.019 12.804 1.00 1.03 C ATOM 1728 C SER B 6 8.133 -9.924 11.802 1.00 0.82 C ATOM 1729 O SER B 6 8.974 -9.509 11.000 1.00 0.86 O ATOM 1730 CB SER B 6 9.020 -10.420 14.109 1.00 1.67 C ATOM 1731 OG SER B 6 10.385 -10.049 13.982 1.00 2.25 O ATOM 0 H SER B 6 10.404 -11.865 12.747 1.00 1.51 H new ATOM 0 HA SER B 6 7.590 -11.588 13.011 1.00 1.03 H new ATOM 0 HB2 SER B 6 8.425 -9.547 14.378 1.00 1.67 H new ATOM 0 HB3 SER B 6 8.909 -11.143 14.917 1.00 1.67 H new ATOM 0 HG SER B 6 10.700 -9.666 14.827 1.00 2.25 H new ATOM 1737 N PRO B 7 6.878 -9.448 11.825 1.00 0.70 N ATOM 1738 CA PRO B 7 6.394 -8.458 10.862 1.00 0.54 C ATOM 1739 C PRO B 7 6.917 -7.064 11.160 1.00 0.45 C ATOM 1740 O PRO B 7 7.034 -6.655 12.319 1.00 0.57 O ATOM 1741 CB PRO B 7 4.885 -8.500 11.060 1.00 0.62 C ATOM 1742 CG PRO B 7 4.755 -8.787 12.506 1.00 0.75 C ATOM 1743 CD PRO B 7 5.822 -9.810 12.793 1.00 0.82 C ATOM 0 HA PRO B 7 6.720 -8.679 9.846 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.415 -7.554 10.791 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.418 -9.273 10.450 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.900 -7.886 13.103 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.764 -9.172 12.745 1.00 0.75 H new ATOM 0 HD2 PRO B 7 6.176 -9.750 13.822 1.00 0.82 H new ATOM 0 HD3 PRO B 7 5.461 -10.827 12.639 1.00 0.82 H new ATOM 1751 N THR B 8 7.230 -6.347 10.110 1.00 0.34 N ATOM 1752 CA THR B 8 7.713 -4.990 10.224 1.00 0.27 C ATOM 1753 C THR B 8 6.570 -4.031 9.979 1.00 0.28 C ATOM 1754 O THR B 8 5.419 -4.459 9.916 1.00 0.34 O ATOM 1755 CB THR B 8 8.795 -4.742 9.185 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.187 -4.736 7.895 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.855 -5.828 9.270 1.00 0.33 C ATOM 0 H THR B 8 7.158 -6.686 9.151 1.00 0.34 H new ATOM 0 HA THR B 8 8.122 -4.837 11.223 1.00 0.27 H new ATOM 0 HB THR B 8 9.279 -3.782 9.367 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.670 -5.350 7.303 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.626 -5.643 8.522 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.304 -5.822 10.263 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.396 -6.799 9.085 1.00 0.33 H new ATOM 1765 N GLU B 9 6.888 -2.755 9.815 1.00 0.28 N ATOM 1766 CA GLU B 9 5.883 -1.762 9.466 1.00 0.33 C ATOM 1767 C GLU B 9 5.135 -2.193 8.213 1.00 0.36 C ATOM 1768 O GLU B 9 3.923 -2.320 8.228 1.00 0.52 O ATOM 1769 CB GLU B 9 6.540 -0.383 9.265 1.00 0.40 C ATOM 1770 CG GLU B 9 5.605 0.703 8.733 1.00 0.56 C ATOM 1771 CD GLU B 9 5.290 0.541 7.260 1.00 1.73 C ATOM 1772 OE1 GLU B 9 6.176 0.092 6.524 1.00 2.48 O ATOM 1773 OE2 GLU B 9 4.155 0.827 6.855 1.00 2.47 O ATOM 0 H GLU B 9 7.832 -2.384 9.918 1.00 0.28 H new ATOM 0 HA GLU B 9 5.167 -1.681 10.284 1.00 0.33 H new ATOM 0 HB2 GLU B 9 6.954 -0.051 10.217 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.376 -0.492 8.575 1.00 0.40 H new ATOM 0 HG2 GLU B 9 4.675 0.686 9.302 1.00 0.56 H new ATOM 0 HG3 GLU B 9 6.061 1.680 8.897 1.00 0.56 H new ATOM 1780 N THR B 10 5.867 -2.444 7.145 1.00 0.26 N ATOM 1781 CA THR B 10 5.255 -2.698 5.852 1.00 0.27 C ATOM 1782 C THR B 10 4.469 -3.983 5.894 1.00 0.27 C ATOM 1783 O THR B 10 3.364 -4.058 5.382 1.00 0.31 O ATOM 1784 CB THR B 10 6.291 -2.724 4.697 1.00 0.27 C ATOM 1785 OG1 THR B 10 6.023 -3.806 3.799 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.720 -2.831 5.217 1.00 0.26 C ATOM 0 H THR B 10 6.886 -2.478 7.145 1.00 0.26 H new ATOM 0 HA THR B 10 4.578 -1.869 5.645 1.00 0.27 H new ATOM 0 HB THR B 10 6.195 -1.779 4.162 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.315 -3.562 2.896 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.413 -2.846 4.376 1.00 0.26 H new ATOM 0 HG22 THR B 10 7.941 -1.974 5.854 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.829 -3.749 5.794 1.00 0.26 H new ATOM 1794 N GLU B 11 5.017 -4.973 6.566 1.00 0.24 N ATOM 1795 CA GLU B 11 4.370 -6.263 6.647 1.00 0.27 C ATOM 1796 C GLU B 11 3.068 -6.159 7.423 1.00 0.30 C ATOM 1797 O GLU B 11 2.039 -6.665 6.989 1.00 0.32 O ATOM 1798 CB GLU B 11 5.309 -7.274 7.280 1.00 0.29 C ATOM 1799 CG GLU B 11 6.679 -7.246 6.643 1.00 0.41 C ATOM 1800 CD GLU B 11 7.566 -8.390 7.083 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.237 -9.044 8.091 1.00 1.71 O ATOM 1802 OE2 GLU B 11 8.604 -8.630 6.431 1.00 1.85 O ATOM 0 H GLU B 11 5.906 -4.909 7.062 1.00 0.24 H new ATOM 0 HA GLU B 11 4.128 -6.604 5.640 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.400 -7.067 8.346 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.884 -8.273 7.184 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.569 -7.277 5.559 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.167 -6.302 6.887 1.00 0.41 H new ATOM 1809 N ARG B 12 3.106 -5.455 8.546 1.00 0.35 N ATOM 1810 CA ARG B 12 1.912 -5.272 9.363 1.00 0.42 C ATOM 1811 C ARG B 12 0.921 -4.369 8.648 1.00 0.43 C ATOM 1812 O ARG B 12 -0.289 -4.537 8.761 1.00 0.47 O ATOM 1813 CB ARG B 12 2.259 -4.713 10.758 1.00 0.48 C ATOM 1814 CG ARG B 12 2.914 -3.331 10.775 1.00 0.49 C ATOM 1815 CD ARG B 12 1.918 -2.206 10.547 1.00 0.56 C ATOM 1816 NE ARG B 12 2.522 -0.887 10.732 1.00 1.08 N ATOM 1817 CZ ARG B 12 2.348 -0.126 11.812 1.00 1.34 C ATOM 1818 NH1 ARG B 12 1.629 -0.576 12.836 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.898 1.082 11.869 1.00 1.95 N ATOM 0 H ARG B 12 3.944 -5.003 8.911 1.00 0.35 H new ATOM 0 HA ARG B 12 1.452 -6.249 9.512 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.344 -4.668 11.349 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.926 -5.417 11.256 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.412 -3.181 11.733 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.685 -3.290 10.006 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.514 -2.280 9.537 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.080 -2.320 11.235 1.00 0.56 H new ATOM 0 HE ARG B 12 3.116 -0.526 9.985 1.00 1.08 H new ATOM 0 HH11 ARG B 12 1.210 -1.505 12.796 1.00 1.86 H new ATOM 0 HH12 ARG B 12 1.497 0.008 13.662 1.00 1.86 H new ATOM 0 HH21 ARG B 12 3.453 1.427 11.086 1.00 1.95 H new ATOM 0 HH22 ARG B 12 2.765 1.665 12.696 1.00 1.95 H new ATOM 1833 N CYS B 13 1.455 -3.422 7.896 1.00 0.42 N ATOM 1834 CA CYS B 13 0.649 -2.440 7.197 1.00 0.44 C ATOM 1835 C CYS B 13 -0.017 -3.087 6.002 1.00 0.30 C ATOM 1836 O CYS B 13 -1.159 -2.793 5.668 1.00 0.29 O ATOM 1837 CB CYS B 13 1.533 -1.249 6.801 1.00 0.57 C ATOM 1838 SG CYS B 13 1.624 0.029 8.075 1.00 2.16 S ATOM 0 H CYS B 13 2.459 -3.313 7.754 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.143 -2.063 7.844 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.539 -1.608 6.584 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.147 -0.809 5.882 1.00 0.57 H new ATOM 0 HG CYS B 13 0.436 0.248 8.556 1.00 2.16 H new ATOM 1844 N ILE B 14 0.699 -4.016 5.401 1.00 0.26 N ATOM 1845 CA ILE B 14 0.168 -4.829 4.332 1.00 0.24 C ATOM 1846 C ILE B 14 -1.006 -5.677 4.822 1.00 0.21 C ATOM 1847 O ILE B 14 -2.028 -5.798 4.143 1.00 0.23 O ATOM 1848 CB ILE B 14 1.271 -5.744 3.764 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.196 -4.965 2.829 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.674 -6.942 3.054 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.465 -5.714 2.516 1.00 0.27 C ATOM 0 H ILE B 14 1.667 -4.227 5.643 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.190 -4.164 3.546 1.00 0.24 H new ATOM 0 HB ILE B 14 1.864 -6.112 4.601 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.668 -4.747 1.900 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.446 -4.008 3.286 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.475 -7.570 2.663 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.071 -7.518 3.756 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.046 -6.601 2.231 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.085 -5.116 1.849 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.010 -5.909 3.440 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.220 -6.660 2.033 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.865 -6.234 6.019 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.881 -7.106 6.583 1.00 0.28 C ATOM 1865 C GLU B 15 -3.045 -6.284 7.052 1.00 0.30 C ATOM 1866 O GLU B 15 -4.172 -6.759 7.150 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.329 -7.877 7.761 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.089 -8.681 7.423 1.00 0.32 C ATOM 1869 CD GLU B 15 0.415 -9.494 8.592 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.873 -8.899 9.585 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.352 -10.741 8.522 1.00 1.06 O ATOM 0 H GLU B 15 -0.051 -6.094 6.618 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.198 -7.807 5.811 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.093 -7.179 8.565 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.099 -8.550 8.139 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.310 -9.348 6.590 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.698 -8.005 7.090 1.00 0.32 H new ATOM 1878 N SER B 16 -2.748 -5.049 7.365 1.00 0.31 N ATOM 1879 CA SER B 16 -3.755 -4.128 7.785 1.00 0.37 C ATOM 1880 C SER B 16 -4.602 -3.710 6.596 1.00 0.28 C ATOM 1881 O SER B 16 -5.825 -3.610 6.714 1.00 0.28 O ATOM 1882 CB SER B 16 -3.109 -2.941 8.481 1.00 0.54 C ATOM 1883 OG SER B 16 -2.440 -3.347 9.666 1.00 0.97 O ATOM 0 H SER B 16 -1.805 -4.662 7.334 1.00 0.31 H new ATOM 0 HA SER B 16 -4.420 -4.606 8.504 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.401 -2.461 7.806 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.870 -2.200 8.725 1.00 0.54 H new ATOM 0 HG SER B 16 -1.530 -3.636 9.445 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.960 -3.503 5.446 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.695 -3.305 4.206 1.00 0.28 C ATOM 1891 C LEU B 17 -5.524 -4.543 3.942 1.00 0.27 C ATOM 1892 O LEU B 17 -6.670 -4.452 3.546 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.758 -3.053 3.024 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.728 -1.950 3.237 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.749 -1.893 2.074 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.397 -0.592 3.441 1.00 0.46 C ATOM 0 H LEU B 17 -2.945 -3.469 5.351 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.330 -2.425 4.312 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.232 -3.980 2.794 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.360 -2.802 2.151 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.174 -2.189 4.145 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.023 -1.099 2.248 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.229 -2.847 1.989 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.292 -1.692 1.151 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.633 0.171 3.590 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.992 -0.344 2.562 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.044 -0.633 4.317 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.934 -5.708 4.189 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.668 -6.961 4.111 1.00 0.30 C ATOM 1910 C ILE B 18 -6.925 -6.898 4.977 1.00 0.28 C ATOM 1911 O ILE B 18 -8.012 -7.259 4.534 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.800 -8.168 4.542 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.715 -8.448 3.499 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.669 -9.397 4.755 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.827 -9.623 3.847 1.00 1.37 C ATOM 0 H ILE B 18 -3.952 -5.808 4.444 1.00 0.27 H new ATOM 0 HA ILE B 18 -5.950 -7.104 3.068 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.312 -7.924 5.486 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.189 -8.635 2.535 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.096 -7.558 3.383 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.044 -10.237 5.058 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.404 -9.193 5.534 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.184 -9.644 3.826 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.083 -9.761 3.063 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.324 -9.431 4.795 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.434 -10.524 3.934 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.767 -6.404 6.197 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.868 -6.305 7.143 1.00 0.25 C ATOM 1929 C ALA B 19 -8.990 -5.410 6.615 1.00 0.23 C ATOM 1930 O ALA B 19 -10.126 -5.864 6.454 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.363 -5.793 8.482 1.00 0.28 C ATOM 0 H ALA B 19 -5.876 -6.062 6.557 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.283 -7.304 7.277 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.195 -5.723 9.182 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.615 -6.481 8.876 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.916 -4.808 8.350 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.668 -4.150 6.332 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.667 -3.193 5.855 1.00 0.22 C ATOM 1939 C VAL B 20 -10.230 -3.601 4.500 1.00 0.23 C ATOM 1940 O VAL B 20 -11.446 -3.569 4.282 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.105 -1.760 5.757 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.737 -1.764 5.105 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -10.058 -0.857 5.002 1.00 0.87 C ATOM 0 H VAL B 20 -7.727 -3.767 6.424 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.467 -3.202 6.596 1.00 0.22 H new ATOM 0 HB VAL B 20 -8.999 -1.368 6.768 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.359 -0.743 5.046 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -7.053 -2.370 5.699 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.814 -2.181 4.101 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -9.640 0.148 4.946 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -10.206 -1.245 3.994 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -11.016 -0.823 5.522 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.352 -3.989 3.593 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.775 -4.353 2.251 1.00 0.25 C ATOM 1955 C PHE B 21 -10.751 -5.516 2.293 1.00 0.29 C ATOM 1956 O PHE B 21 -11.806 -5.474 1.671 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.573 -4.722 1.387 1.00 0.26 C ATOM 1958 CG PHE B 21 -7.778 -3.554 0.871 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -7.708 -2.365 1.577 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -7.084 -3.661 -0.318 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -6.963 -1.305 1.103 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -6.336 -2.607 -0.793 1.00 2.17 C ATOM 1963 CZ PHE B 21 -6.275 -1.427 -0.083 1.00 2.40 C ATOM 0 H PHE B 21 -8.348 -4.060 3.758 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.273 -3.489 1.812 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -7.911 -5.365 1.967 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.922 -5.308 0.537 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -8.243 -2.266 2.510 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -7.128 -4.581 -0.881 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -6.920 -0.381 1.661 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -5.796 -2.705 -1.723 1.00 2.17 H new ATOM 0 HZ PHE B 21 -5.689 -0.600 -0.456 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.414 -6.533 3.066 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.185 -7.763 3.091 1.00 0.37 C ATOM 1975 C GLN B 22 -12.494 -7.596 3.863 1.00 0.36 C ATOM 1976 O GLN B 22 -13.460 -8.304 3.595 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.321 -8.886 3.676 1.00 0.47 C ATOM 1978 CG GLN B 22 -10.931 -10.276 3.583 1.00 1.11 C ATOM 1979 CD GLN B 22 -11.841 -10.609 4.748 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -11.644 -10.128 5.862 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -12.842 -11.438 4.498 1.00 2.65 N ATOM 0 H GLN B 22 -9.606 -6.531 3.689 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.465 -8.026 2.071 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.360 -8.891 3.161 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.120 -8.662 4.724 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -11.496 -10.356 2.655 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.131 -11.014 3.533 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -12.970 -11.815 3.559 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -13.486 -11.700 5.245 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.548 -6.653 4.798 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.770 -6.458 5.566 1.00 0.39 C ATOM 1992 C LYS B 23 -14.849 -5.808 4.702 1.00 0.41 C ATOM 1993 O LYS B 23 -16.026 -6.152 4.802 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.513 -5.637 6.838 1.00 0.41 C ATOM 1995 CG LYS B 23 -13.113 -4.207 6.607 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.552 -3.620 7.879 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.473 -2.115 7.793 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.879 -1.503 9.009 1.00 0.91 N ATOM 0 H LYS B 23 -11.780 -6.026 5.038 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.126 -7.439 5.880 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.416 -5.651 7.449 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.730 -6.128 7.416 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.370 -4.152 5.812 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.975 -3.627 6.278 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -13.179 -3.907 8.723 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.559 -4.030 8.066 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.879 -1.835 6.923 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.473 -1.711 7.639 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.476 -0.575 8.769 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.616 -1.384 9.733 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -11.128 -2.121 9.378 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.448 -4.879 3.840 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.398 -4.227 2.952 1.00 0.39 C ATOM 2014 C TYR B 24 -15.603 -5.021 1.668 1.00 0.34 C ATOM 2015 O TYR B 24 -16.733 -5.218 1.231 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.963 -2.804 2.630 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.282 -1.817 3.726 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.596 -1.458 3.979 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -14.283 -1.239 4.496 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -16.912 -0.555 4.969 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -14.592 -0.331 5.493 1.00 1.83 C ATOM 2022 CZ TYR B 24 -15.910 0.006 5.724 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.229 0.912 6.708 1.00 2.15 O ATOM 0 H TYR B 24 -13.483 -4.565 3.739 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.352 -4.186 3.478 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.889 -2.794 2.443 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.450 -2.483 1.709 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.388 -1.895 3.388 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -13.251 -1.501 4.315 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -17.943 -0.289 5.151 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -13.806 0.112 6.087 1.00 1.83 H new ATOM 0 HH TYR B 24 -16.027 1.819 6.396 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.514 -5.490 1.071 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.602 -6.282 -0.151 1.00 0.34 C ATOM 2035 C ALA B 25 -15.232 -7.637 0.146 1.00 0.47 C ATOM 2036 O ALA B 25 -15.679 -8.348 -0.753 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.226 -6.477 -0.770 1.00 0.37 C ATOM 0 H ALA B 25 -13.564 -5.337 1.410 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.228 -5.743 -0.862 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.317 -7.070 -1.680 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -12.795 -5.506 -1.012 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.579 -6.995 -0.062 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.251 -7.984 1.426 1.00 0.50 N ATOM 2044 CA GLY B 26 -15.840 -9.234 1.863 1.00 0.64 C ATOM 2045 C GLY B 26 -17.349 -9.238 1.747 1.00 0.76 C ATOM 2046 O GLY B 26 -17.991 -10.276 1.887 1.00 0.96 O ATOM 0 H GLY B 26 -14.864 -7.414 2.178 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.431 -10.051 1.269 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.558 -9.422 2.899 1.00 0.64 H new ATOM 2050 N LYS B 27 -17.914 -8.071 1.480 1.00 0.69 N ATOM 2051 CA LYS B 27 -19.353 -7.924 1.322 1.00 0.82 C ATOM 2052 C LYS B 27 -19.792 -8.370 -0.068 1.00 0.95 C ATOM 2053 O LYS B 27 -20.980 -8.554 -0.329 1.00 1.11 O ATOM 2054 CB LYS B 27 -19.738 -6.464 1.549 1.00 0.77 C ATOM 2055 CG LYS B 27 -19.406 -5.968 2.951 1.00 0.81 C ATOM 2056 CD LYS B 27 -19.465 -4.451 3.046 1.00 0.86 C ATOM 2057 CE LYS B 27 -19.154 -3.964 4.453 1.00 1.11 C ATOM 2058 NZ LYS B 27 -20.219 -4.330 5.422 1.00 1.72 N ATOM 0 H LYS B 27 -17.391 -7.203 1.367 1.00 0.69 H new ATOM 0 HA LYS B 27 -19.856 -8.554 2.055 1.00 0.82 H new ATOM 0 HB2 LYS B 27 -19.222 -5.841 0.818 1.00 0.77 H new ATOM 0 HB3 LYS B 27 -20.807 -6.345 1.372 1.00 0.77 H new ATOM 0 HG2 LYS B 27 -20.105 -6.404 3.665 1.00 0.81 H new ATOM 0 HG3 LYS B 27 -18.410 -6.311 3.231 1.00 0.81 H new ATOM 0 HD2 LYS B 27 -18.754 -4.014 2.344 1.00 0.86 H new ATOM 0 HD3 LYS B 27 -20.456 -4.106 2.752 1.00 0.86 H new ATOM 0 HE2 LYS B 27 -18.205 -4.389 4.781 1.00 1.11 H new ATOM 0 HE3 LYS B 27 -19.032 -2.881 4.442 1.00 1.11 H new ATOM 0 HZ1 LYS B 27 -20.043 -3.851 6.328 1.00 1.72 H new ATOM 0 HZ2 LYS B 27 -21.144 -4.036 5.049 1.00 1.72 H new ATOM 0 HZ3 LYS B 27 -20.216 -5.360 5.568 1.00 1.72 H new ATOM 2072 N ASP B 28 -18.818 -8.559 -0.947 1.00 1.00 N ATOM 2073 CA ASP B 28 -19.082 -8.908 -2.339 1.00 1.19 C ATOM 2074 C ASP B 28 -18.956 -10.417 -2.568 1.00 1.26 C ATOM 2075 O ASP B 28 -18.768 -10.884 -3.691 1.00 1.58 O ATOM 2076 CB ASP B 28 -18.113 -8.133 -3.244 1.00 1.33 C ATOM 2077 CG ASP B 28 -18.320 -8.398 -4.727 1.00 1.65 C ATOM 2078 OD1 ASP B 28 -19.440 -8.161 -5.227 1.00 2.09 O ATOM 2079 OD2 ASP B 28 -17.362 -8.852 -5.401 1.00 2.15 O ATOM 0 H ASP B 28 -17.827 -8.476 -0.719 1.00 1.00 H new ATOM 0 HA ASP B 28 -20.107 -8.631 -2.586 1.00 1.19 H new ATOM 0 HB2 ASP B 28 -18.228 -7.066 -3.055 1.00 1.33 H new ATOM 0 HB3 ASP B 28 -17.090 -8.396 -2.976 1.00 1.33 H new ATOM 2084 N GLY B 29 -19.087 -11.200 -1.509 1.00 1.15 N ATOM 2085 CA GLY B 29 -18.949 -12.629 -1.670 1.00 1.32 C ATOM 2086 C GLY B 29 -17.739 -13.184 -0.956 1.00 1.51 C ATOM 2087 O GLY B 29 -16.872 -13.777 -1.595 1.00 1.64 O ATOM 0 H GLY B 29 -19.282 -10.880 -0.560 1.00 1.15 H new ATOM 0 HA2 GLY B 29 -19.845 -13.121 -1.292 1.00 1.32 H new ATOM 0 HA3 GLY B 29 -18.879 -12.865 -2.732 1.00 1.32 H new ATOM 2091 N TYR B 30 -17.646 -12.904 0.348 1.00 2.07 N ATOM 2092 CA TYR B 30 -16.585 -13.437 1.214 1.00 2.80 C ATOM 2093 C TYR B 30 -15.339 -12.555 1.131 1.00 2.61 C ATOM 2094 O TYR B 30 -14.856 -12.085 2.164 1.00 3.02 O ATOM 2095 CB TYR B 30 -16.278 -14.902 0.862 1.00 3.68 C ATOM 2096 CG TYR B 30 -15.424 -15.651 1.859 1.00 4.52 C ATOM 2097 CD1 TYR B 30 -15.616 -15.518 3.229 1.00 5.11 C ATOM 2098 CD2 TYR B 30 -14.444 -16.527 1.418 1.00 5.12 C ATOM 2099 CE1 TYR B 30 -14.849 -16.238 4.128 1.00 6.04 C ATOM 2100 CE2 TYR B 30 -13.675 -17.244 2.306 1.00 6.09 C ATOM 2101 CZ TYR B 30 -13.879 -17.100 3.657 1.00 6.46 C ATOM 2102 OH TYR B 30 -13.111 -17.826 4.541 1.00 7.51 O ATOM 0 H TYR B 30 -18.306 -12.299 0.836 1.00 2.07 H new ATOM 0 HA TYR B 30 -16.932 -13.421 2.247 1.00 2.80 H new ATOM 0 HB2 TYR B 30 -17.222 -15.434 0.748 1.00 3.68 H new ATOM 0 HB3 TYR B 30 -15.779 -14.927 -0.107 1.00 3.68 H new ATOM 0 HD1 TYR B 30 -16.375 -14.843 3.597 1.00 5.11 H new ATOM 0 HD2 TYR B 30 -14.281 -16.649 0.357 1.00 5.12 H new ATOM 0 HE1 TYR B 30 -15.008 -16.126 5.190 1.00 6.04 H new ATOM 0 HE2 TYR B 30 -12.914 -17.918 1.942 1.00 6.09 H new ATOM 0 HH TYR B 30 -13.114 -18.770 4.278 1.00 7.51 H new ATOM 2112 N ASN B 31 -14.828 -12.349 -0.093 1.00 2.62 N ATOM 2113 CA ASN B 31 -13.813 -11.316 -0.379 1.00 2.78 C ATOM 2114 C ASN B 31 -13.235 -11.476 -1.783 1.00 1.96 C ATOM 2115 O ASN B 31 -12.880 -12.576 -2.201 1.00 2.53 O ATOM 2116 CB ASN B 31 -12.663 -11.284 0.649 1.00 3.85 C ATOM 2117 CG ASN B 31 -11.703 -12.465 0.587 1.00 4.61 C ATOM 2118 OD1 ASN B 31 -10.501 -12.298 0.799 1.00 4.92 O ATOM 2119 ND2 ASN B 31 -12.218 -13.659 0.335 1.00 5.33 N ATOM 0 H ASN B 31 -15.104 -12.891 -0.912 1.00 2.62 H new ATOM 0 HA ASN B 31 -14.342 -10.366 -0.307 1.00 2.78 H new ATOM 0 HB2 ASN B 31 -12.094 -10.366 0.504 1.00 3.85 H new ATOM 0 HB3 ASN B 31 -13.093 -11.238 1.650 1.00 3.85 H new ATOM 0 HD21 ASN B 31 -11.614 -14.480 0.312 1.00 5.33 H new ATOM 0 HD22 ASN B 31 -13.219 -13.757 0.164 1.00 5.33 H new ATOM 2126 N TYR B 32 -13.167 -10.365 -2.510 1.00 1.18 N ATOM 2127 CA TYR B 32 -12.523 -10.324 -3.820 1.00 1.18 C ATOM 2128 C TYR B 32 -12.483 -8.888 -4.330 1.00 0.91 C ATOM 2129 O TYR B 32 -11.418 -8.275 -4.412 1.00 1.04 O ATOM 2130 CB TYR B 32 -13.256 -11.217 -4.831 1.00 1.78 C ATOM 2131 CG TYR B 32 -12.561 -11.318 -6.174 1.00 2.38 C ATOM 2132 CD1 TYR B 32 -11.445 -12.128 -6.341 1.00 2.99 C ATOM 2133 CD2 TYR B 32 -13.018 -10.601 -7.273 1.00 3.08 C ATOM 2134 CE1 TYR B 32 -10.804 -12.220 -7.563 1.00 3.86 C ATOM 2135 CE2 TYR B 32 -12.385 -10.688 -8.498 1.00 3.93 C ATOM 2136 CZ TYR B 32 -11.279 -11.500 -8.639 1.00 4.19 C ATOM 2137 OH TYR B 32 -10.643 -11.586 -9.860 1.00 5.19 O ATOM 0 H TYR B 32 -13.555 -9.471 -2.210 1.00 1.18 H new ATOM 0 HA TYR B 32 -11.507 -10.702 -3.711 1.00 1.18 H new ATOM 0 HB2 TYR B 32 -13.360 -12.217 -4.410 1.00 1.78 H new ATOM 0 HB3 TYR B 32 -14.263 -10.828 -4.982 1.00 1.78 H new ATOM 0 HD1 TYR B 32 -11.071 -12.696 -5.502 1.00 2.99 H new ATOM 0 HD2 TYR B 32 -13.884 -9.964 -7.168 1.00 3.08 H new ATOM 0 HE1 TYR B 32 -9.936 -12.853 -7.674 1.00 3.86 H new ATOM 0 HE2 TYR B 32 -12.754 -10.123 -9.341 1.00 3.93 H new ATOM 0 HH TYR B 32 -11.105 -11.017 -10.511 1.00 5.19 H new ATOM 2147 N THR B 33 -13.652 -8.357 -4.651 1.00 0.66 N ATOM 2148 CA THR B 33 -13.772 -6.990 -5.126 1.00 0.45 C ATOM 2149 C THR B 33 -14.534 -6.141 -4.140 1.00 0.37 C ATOM 2150 O THR B 33 -15.486 -6.584 -3.505 1.00 0.44 O ATOM 2151 CB THR B 33 -14.478 -6.922 -6.490 1.00 0.45 C ATOM 2152 OG1 THR B 33 -15.052 -8.197 -6.814 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.516 -6.471 -7.588 1.00 0.43 C ATOM 0 H THR B 33 -14.538 -8.858 -4.590 1.00 0.66 H new ATOM 0 HA THR B 33 -12.758 -6.606 -5.234 1.00 0.45 H new ATOM 0 HB THR B 33 -15.277 -6.183 -6.424 1.00 0.45 H new ATOM 0 HG1 THR B 33 -15.845 -8.349 -6.259 1.00 0.66 H new ATOM 0 HG21 THR B 33 -14.044 -6.432 -8.541 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.128 -5.481 -7.348 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.689 -7.177 -7.660 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.073 -4.928 -4.002 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.755 -3.935 -3.235 1.00 0.30 C ATOM 2163 C LEU B 34 -15.747 -3.234 -4.137 1.00 0.31 C ATOM 2164 O LEU B 34 -15.365 -2.488 -5.037 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.721 -2.976 -2.656 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.609 -2.996 -1.143 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.177 -2.747 -0.699 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.532 -1.961 -0.554 1.00 0.28 C ATOM 0 H LEU B 34 -13.204 -4.603 -4.425 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.307 -4.373 -2.403 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.746 -3.215 -3.081 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.968 -1.963 -2.974 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.901 -3.983 -0.784 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.125 -2.767 0.390 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.529 -3.523 -1.107 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -11.848 -1.773 -1.060 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.450 -1.977 0.533 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.255 -0.974 -0.924 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.559 -2.182 -0.844 1.00 0.28 H new ATOM 2180 N SER B 35 -17.017 -3.542 -3.923 1.00 0.31 N ATOM 2181 CA SER B 35 -18.082 -3.058 -4.777 1.00 0.33 C ATOM 2182 C SER B 35 -18.238 -1.549 -4.654 1.00 0.32 C ATOM 2183 O SER B 35 -17.710 -0.942 -3.720 1.00 0.30 O ATOM 2184 CB SER B 35 -19.387 -3.779 -4.434 1.00 0.37 C ATOM 2185 OG SER B 35 -20.415 -3.474 -5.362 1.00 0.40 O ATOM 0 H SER B 35 -17.334 -4.133 -3.154 1.00 0.31 H new ATOM 0 HA SER B 35 -17.827 -3.274 -5.814 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.216 -4.855 -4.422 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.706 -3.496 -3.431 1.00 0.37 H new ATOM 0 HG SER B 35 -21.233 -3.953 -5.113 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.975 -0.961 -5.599 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.124 0.488 -5.701 1.00 0.42 C ATOM 2193 C LYS B 36 -19.415 1.105 -4.341 1.00 0.36 C ATOM 2194 O LYS B 36 -18.639 1.904 -3.832 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.251 0.834 -6.679 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.367 2.321 -6.991 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.175 2.818 -7.792 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.255 4.313 -8.067 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.430 4.675 -8.904 1.00 0.65 N ATOM 0 H LYS B 36 -19.485 -1.479 -6.315 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.185 0.899 -6.071 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.090 0.290 -7.610 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.197 0.485 -6.265 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.284 2.506 -7.550 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.441 2.884 -6.061 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.256 2.598 -7.248 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -19.123 2.278 -8.737 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.307 4.851 -7.121 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.342 4.637 -8.568 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.236 5.564 -9.408 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.612 3.918 -9.594 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.265 4.797 -8.296 1.00 0.65 H new ATOM 2213 N THR B 37 -20.506 0.677 -3.736 1.00 0.37 N ATOM 2214 CA THR B 37 -20.955 1.231 -2.472 1.00 0.38 C ATOM 2215 C THR B 37 -20.025 0.823 -1.338 1.00 0.36 C ATOM 2216 O THR B 37 -19.892 1.524 -0.333 1.00 0.38 O ATOM 2217 CB THR B 37 -22.373 0.742 -2.156 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.240 1.015 -3.265 1.00 0.47 O ATOM 2219 CG2 THR B 37 -22.910 1.418 -0.903 1.00 0.49 C ATOM 0 H THR B 37 -21.105 -0.062 -4.105 1.00 0.37 H new ATOM 0 HA THR B 37 -20.950 2.317 -2.562 1.00 0.38 H new ATOM 0 HB THR B 37 -22.336 -0.333 -1.980 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.144 0.699 -3.059 1.00 0.47 H new ATOM 0 HG21 THR B 37 -23.917 1.056 -0.698 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.262 1.186 -0.058 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.936 2.497 -1.054 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.355 -0.298 -1.523 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.514 -0.849 -0.483 1.00 0.33 C ATOM 2229 C GLU B 38 -17.259 -0.015 -0.319 1.00 0.33 C ATOM 2230 O GLU B 38 -16.764 0.137 0.796 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.165 -2.312 -0.758 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.283 -3.299 -0.428 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.655 -2.858 -0.897 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -21.031 -3.181 -2.037 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -21.372 -2.202 -0.112 1.00 2.16 O ATOM 0 H GLU B 38 -19.378 -0.844 -2.384 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.075 -0.819 0.451 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.901 -2.419 -1.810 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.280 -2.577 -0.179 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.048 -4.262 -0.881 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.311 -3.452 0.651 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.740 0.551 -1.412 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.595 1.432 -1.273 1.00 0.31 C ATOM 2244 C PHE B 39 -16.040 2.828 -0.963 1.00 0.28 C ATOM 2245 O PHE B 39 -15.281 3.615 -0.414 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.633 1.440 -2.456 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.216 1.585 -3.824 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.661 2.810 -4.282 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -15.266 0.497 -4.671 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -16.160 2.941 -5.559 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -15.754 0.622 -5.949 1.00 2.66 C ATOM 2252 CZ PHE B 39 -16.204 1.842 -6.393 1.00 2.87 C ATOM 0 H PHE B 39 -17.083 0.419 -2.364 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.025 1.018 -0.441 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -13.923 2.254 -2.306 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.063 0.511 -2.431 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.617 3.672 -3.633 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -14.917 -0.465 -4.325 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -16.515 3.900 -5.906 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -15.784 -0.237 -6.603 1.00 2.66 H new ATOM 0 HZ PHE B 39 -16.593 1.941 -7.396 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.263 3.145 -1.324 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.858 4.370 -0.865 1.00 0.37 C ATOM 2264 C LEU B 40 -17.846 4.380 0.660 1.00 0.40 C ATOM 2265 O LEU B 40 -17.412 5.341 1.286 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.288 4.498 -1.378 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.461 4.438 -2.900 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.796 5.032 -3.317 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.314 5.130 -3.609 1.00 0.46 C ATOM 0 H LEU B 40 -17.856 2.576 -1.928 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.285 5.215 -1.247 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.886 3.703 -0.932 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.698 5.443 -1.022 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.450 3.389 -3.196 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -20.896 4.978 -4.401 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.606 4.471 -2.850 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -20.846 6.074 -2.999 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.464 5.071 -4.687 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.276 6.176 -3.304 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.376 4.641 -3.346 1.00 0.46 H new ATOM 2281 N SER B 41 -18.303 3.274 1.241 1.00 0.42 N ATOM 2282 CA SER B 41 -18.259 3.083 2.685 1.00 0.52 C ATOM 2283 C SER B 41 -16.807 3.025 3.170 1.00 0.45 C ATOM 2284 O SER B 41 -16.435 3.743 4.093 1.00 0.47 O ATOM 2285 CB SER B 41 -19.007 1.802 3.069 1.00 0.67 C ATOM 2286 OG SER B 41 -19.175 1.703 4.476 1.00 1.40 O ATOM 0 H SER B 41 -18.711 2.492 0.728 1.00 0.42 H new ATOM 0 HA SER B 41 -18.748 3.929 3.168 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.982 1.788 2.583 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.457 0.934 2.705 1.00 0.67 H new ATOM 0 HG SER B 41 -19.657 0.877 4.691 1.00 1.40 H new ATOM 2292 N PHE B 42 -15.999 2.175 2.524 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.557 2.071 2.791 1.00 0.46 C ATOM 2294 C PHE B 42 -13.941 3.445 2.895 1.00 0.29 C ATOM 2295 O PHE B 42 -13.440 3.831 3.930 1.00 0.42 O ATOM 2296 CB PHE B 42 -13.882 1.350 1.620 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.411 1.064 1.795 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.488 2.096 1.922 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -11.949 -0.237 1.803 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -10.143 1.833 2.062 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -10.602 -0.508 1.936 1.00 3.80 C ATOM 2302 CZ PHE B 42 -9.699 0.530 2.067 1.00 4.13 C ATOM 0 H PHE B 42 -16.327 1.537 1.799 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.416 1.527 3.725 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.400 0.406 1.450 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.013 1.952 0.721 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -11.831 3.120 1.911 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -12.650 -1.053 1.704 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -9.440 2.646 2.167 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -10.254 -1.530 1.938 1.00 3.80 H new ATOM 0 HZ PHE B 42 -8.645 0.319 2.173 1.00 4.13 H new ATOM 2312 N MET B 43 -13.987 4.178 1.812 1.00 0.26 N ATOM 2313 CA MET B 43 -13.262 5.423 1.723 1.00 0.29 C ATOM 2314 C MET B 43 -13.886 6.517 2.571 1.00 0.29 C ATOM 2315 O MET B 43 -13.210 7.451 2.953 1.00 0.37 O ATOM 2316 CB MET B 43 -13.167 5.880 0.279 1.00 0.38 C ATOM 2317 CG MET B 43 -12.417 4.911 -0.628 1.00 0.62 C ATOM 2318 SD MET B 43 -11.956 5.637 -2.216 1.00 1.22 S ATOM 2319 CE MET B 43 -10.802 6.900 -1.686 1.00 2.25 C ATOM 0 H MET B 43 -14.520 3.935 0.977 1.00 0.26 H new ATOM 0 HA MET B 43 -12.261 5.236 2.113 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.174 6.024 -0.113 1.00 0.38 H new ATOM 0 HB3 MET B 43 -12.671 6.850 0.247 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.517 4.568 -0.118 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.038 4.033 -0.804 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.239 7.885 -1.852 1.00 2.25 H new ATOM 0 HE2 MET B 43 -10.585 6.773 -0.625 1.00 2.25 H new ATOM 0 HE3 MET B 43 -9.878 6.812 -2.258 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.162 6.422 2.875 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.799 7.470 3.662 1.00 0.33 C ATOM 2331 C ASN B 44 -15.576 7.243 5.149 1.00 0.32 C ATOM 2332 O ASN B 44 -15.750 8.148 5.959 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.284 7.534 3.359 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.909 8.857 3.754 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -18.332 9.047 4.894 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -17.991 9.770 2.802 1.00 1.83 N ATOM 0 H ASN B 44 -15.772 5.652 2.600 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.344 8.422 3.388 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.440 7.368 2.293 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.792 6.726 3.885 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.418 10.675 2.999 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -17.627 9.570 1.870 1.00 1.83 H new ATOM 2343 N THR B 45 -15.185 6.031 5.503 1.00 0.27 N ATOM 2344 CA THR B 45 -14.892 5.715 6.893 1.00 0.29 C ATOM 2345 C THR B 45 -13.393 5.633 7.107 1.00 0.28 C ATOM 2346 O THR B 45 -12.827 6.307 7.967 1.00 0.34 O ATOM 2347 CB THR B 45 -15.535 4.382 7.327 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.093 3.314 6.484 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.052 4.471 7.296 1.00 0.34 C ATOM 0 H THR B 45 -15.063 5.254 4.854 1.00 0.27 H new ATOM 0 HA THR B 45 -15.314 6.515 7.501 1.00 0.29 H new ATOM 0 HB THR B 45 -15.222 4.179 8.351 1.00 0.30 H new ATOM 0 HG1 THR B 45 -14.570 2.675 7.012 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.479 3.517 7.607 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.384 5.256 7.976 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.382 4.704 6.284 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.763 4.817 6.285 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.354 4.524 6.398 1.00 0.25 C ATOM 2359 C GLU B 46 -10.519 5.604 5.704 1.00 0.25 C ATOM 2360 O GLU B 46 -9.323 5.696 5.913 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.043 3.154 5.780 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.045 2.053 6.116 1.00 0.57 C ATOM 2363 CD GLU B 46 -12.253 1.842 7.602 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -11.463 1.106 8.229 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -13.235 2.383 8.149 1.00 1.68 O ATOM 0 H GLU B 46 -13.223 4.335 5.513 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.095 4.506 7.457 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -10.996 3.263 4.697 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.054 2.838 6.112 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.003 2.295 5.656 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.705 1.118 5.671 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.135 6.407 4.853 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.400 7.480 4.190 1.00 0.26 C ATOM 2374 C LEU B 47 -11.169 8.784 4.209 1.00 0.28 C ATOM 2375 O LEU B 47 -11.003 9.621 3.325 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.067 7.093 2.758 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.100 5.928 2.630 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.040 5.448 1.198 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.725 6.346 3.124 1.00 0.28 C ATOM 0 H LEU B 47 -12.122 6.343 4.606 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.474 7.630 4.745 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -10.991 6.840 2.239 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.642 7.959 2.250 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.452 5.100 3.245 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.343 4.613 1.123 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.031 5.123 0.881 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.703 6.261 0.555 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.034 5.508 3.031 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.363 7.183 2.527 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.790 6.648 4.169 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.050 8.919 5.187 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.785 10.154 5.414 1.00 0.37 C ATOM 2393 C ALA B 48 -11.891 11.394 5.346 1.00 0.39 C ATOM 2394 O ALA B 48 -12.342 12.460 4.922 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.477 10.080 6.757 1.00 0.41 C ATOM 0 H ALA B 48 -12.276 8.175 5.847 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.519 10.256 4.615 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.030 11.003 6.933 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.167 9.237 6.765 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.733 9.947 7.543 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.633 11.251 5.755 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.661 12.339 5.666 1.00 0.41 C ATOM 2403 C ALA B 49 -9.535 12.837 4.233 1.00 0.41 C ATOM 2404 O ALA B 49 -9.453 14.037 3.979 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.307 11.868 6.169 1.00 0.44 C ATOM 0 H ALA B 49 -10.261 10.389 6.153 1.00 0.38 H new ATOM 0 HA ALA B 49 -10.011 13.163 6.288 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.589 12.685 6.099 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.395 11.550 7.208 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.964 11.031 5.561 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.529 11.897 3.307 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.413 12.192 1.889 1.00 0.37 C ATOM 2413 C PHE B 50 -10.785 12.494 1.296 1.00 0.38 C ATOM 2414 O PHE B 50 -10.993 13.520 0.647 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.802 10.979 1.187 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.537 11.175 -0.280 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -7.396 11.833 -0.711 1.00 1.63 C ATOM 2418 CD2 PHE B 50 -9.426 10.691 -1.229 1.00 1.33 C ATOM 2419 CE1 PHE B 50 -7.147 12.007 -2.059 1.00 2.10 C ATOM 2420 CE2 PHE B 50 -9.181 10.861 -2.578 1.00 1.67 C ATOM 2421 CZ PHE B 50 -8.040 11.520 -2.994 1.00 1.80 C ATOM 0 H PHE B 50 -9.605 10.902 3.517 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.778 13.067 1.749 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.865 10.723 1.681 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.471 10.128 1.312 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.693 12.214 0.015 1.00 1.63 H new ATOM 0 HD2 PHE B 50 -10.320 10.176 -0.910 1.00 1.33 H new ATOM 0 HE1 PHE B 50 -6.255 12.523 -2.381 1.00 2.10 H new ATOM 0 HE2 PHE B 50 -9.881 10.479 -3.307 1.00 1.67 H new ATOM 0 HZ PHE B 50 -7.847 11.654 -4.048 1.00 1.80 H new ATOM 2431 N THR B 51 -11.712 11.588 1.554 1.00 0.36 N ATOM 2432 CA THR B 51 -13.045 11.621 0.977 1.00 0.40 C ATOM 2433 C THR B 51 -13.802 12.899 1.322 1.00 0.45 C ATOM 2434 O THR B 51 -14.313 13.583 0.437 1.00 0.53 O ATOM 2435 CB THR B 51 -13.833 10.403 1.474 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.178 9.210 1.036 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.268 10.423 0.975 1.00 0.49 C ATOM 0 H THR B 51 -11.558 10.797 2.179 1.00 0.36 H new ATOM 0 HA THR B 51 -12.939 11.597 -0.108 1.00 0.40 H new ATOM 0 HB THR B 51 -13.864 10.434 2.563 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.847 8.714 1.814 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.795 9.545 1.347 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.766 11.324 1.334 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.274 10.415 -0.115 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.847 13.233 2.600 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.647 14.360 3.061 1.00 0.60 C ATOM 2447 C LYS B 52 -13.918 15.676 2.828 1.00 0.69 C ATOM 2448 O LYS B 52 -14.439 16.753 3.126 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.988 14.196 4.539 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.772 12.927 4.832 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.130 12.804 6.303 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.920 11.532 6.574 1.00 1.24 C ATOM 2453 NZ LYS B 52 -17.296 11.400 8.006 1.00 1.82 N ATOM 0 H LYS B 52 -13.341 12.743 3.337 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.573 14.379 2.486 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -14.066 14.189 5.120 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.567 15.058 4.870 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.684 12.919 4.235 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.185 12.060 4.528 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -15.220 12.804 6.903 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.715 13.671 6.611 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.822 11.529 5.961 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.328 10.667 6.274 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -17.832 10.520 8.144 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -16.436 11.377 8.590 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -17.883 12.211 8.287 1.00 1.82 H new ATOM 2467 N ASN B 53 -12.706 15.582 2.311 1.00 0.68 N ATOM 2468 CA ASN B 53 -11.914 16.762 2.013 1.00 0.85 C ATOM 2469 C ASN B 53 -11.998 17.085 0.525 1.00 1.00 C ATOM 2470 O ASN B 53 -11.935 18.246 0.120 1.00 1.22 O ATOM 2471 CB ASN B 53 -10.466 16.541 2.439 1.00 0.92 C ATOM 2472 CG ASN B 53 -9.627 17.806 2.353 1.00 1.40 C ATOM 2473 OD1 ASN B 53 -10.130 18.917 2.511 1.00 1.93 O ATOM 2474 ND2 ASN B 53 -8.337 17.645 2.103 1.00 2.05 N ATOM 0 H ASN B 53 -12.248 14.698 2.088 1.00 0.68 H new ATOM 0 HA ASN B 53 -12.310 17.610 2.572 1.00 0.85 H new ATOM 0 HB2 ASN B 53 -10.446 16.166 3.462 1.00 0.92 H new ATOM 0 HB3 ASN B 53 -10.020 15.771 1.809 1.00 0.92 H new ATOM 0 HD21 ASN B 53 -7.725 18.458 2.036 1.00 2.05 H new ATOM 0 HD22 ASN B 53 -7.955 16.708 1.978 1.00 2.05 H new ATOM 2481 N GLN B 54 -12.153 16.046 -0.282 1.00 1.01 N ATOM 2482 CA GLN B 54 -12.345 16.205 -1.717 1.00 1.29 C ATOM 2483 C GLN B 54 -13.826 16.064 -2.053 1.00 1.33 C ATOM 2484 O GLN B 54 -14.226 15.159 -2.791 1.00 2.05 O ATOM 2485 CB GLN B 54 -11.520 15.167 -2.484 1.00 1.74 C ATOM 2486 CG GLN B 54 -10.017 15.283 -2.262 1.00 2.17 C ATOM 2487 CD GLN B 54 -9.421 16.549 -2.855 1.00 2.39 C ATOM 2488 OE1 GLN B 54 -10.079 17.583 -2.952 1.00 2.90 O ATOM 2489 NE2 GLN B 54 -8.164 16.474 -3.259 1.00 2.71 N ATOM 0 H GLN B 54 -12.150 15.077 0.035 1.00 1.01 H new ATOM 0 HA GLN B 54 -12.006 17.197 -2.015 1.00 1.29 H new ATOM 0 HB2 GLN B 54 -11.845 14.169 -2.188 1.00 1.74 H new ATOM 0 HB3 GLN B 54 -11.728 15.267 -3.549 1.00 1.74 H new ATOM 0 HG2 GLN B 54 -9.811 15.259 -1.192 1.00 2.17 H new ATOM 0 HG3 GLN B 54 -9.523 14.416 -2.701 1.00 2.17 H new ATOM 0 HE21 GLN B 54 -7.649 15.599 -3.163 1.00 2.71 H new ATOM 0 HE22 GLN B 54 -7.710 17.291 -3.667 1.00 2.71 H new ATOM 2498 N LYS B 55 -14.619 16.986 -1.514 1.00 1.43 N ATOM 2499 CA LYS B 55 -16.079 16.932 -1.583 1.00 1.87 C ATOM 2500 C LYS B 55 -16.604 15.780 -0.730 1.00 1.59 C ATOM 2501 O LYS B 55 -16.674 15.912 0.494 1.00 2.27 O ATOM 2502 CB LYS B 55 -16.588 16.836 -3.028 1.00 2.84 C ATOM 2503 CG LYS B 55 -16.248 18.055 -3.870 1.00 3.60 C ATOM 2504 CD LYS B 55 -16.742 17.906 -5.297 1.00 4.28 C ATOM 2505 CE LYS B 55 -16.382 19.120 -6.134 1.00 5.02 C ATOM 2506 NZ LYS B 55 -16.813 18.968 -7.547 1.00 5.58 N ATOM 0 H LYS B 55 -14.264 17.800 -1.012 1.00 1.43 H new ATOM 0 HA LYS B 55 -16.466 17.868 -1.181 1.00 1.87 H new ATOM 0 HB2 LYS B 55 -16.162 15.949 -3.497 1.00 2.84 H new ATOM 0 HB3 LYS B 55 -17.670 16.702 -3.016 1.00 2.84 H new ATOM 0 HG2 LYS B 55 -16.693 18.943 -3.421 1.00 3.60 H new ATOM 0 HG3 LYS B 55 -15.169 18.206 -3.872 1.00 3.60 H new ATOM 0 HD2 LYS B 55 -16.307 17.012 -5.743 1.00 4.28 H new ATOM 0 HD3 LYS B 55 -17.823 17.769 -5.297 1.00 4.28 H new ATOM 0 HE2 LYS B 55 -16.849 20.007 -5.706 1.00 5.02 H new ATOM 0 HE3 LYS B 55 -15.304 19.278 -6.099 1.00 5.02 H new ATOM 0 HZ1 LYS B 55 -16.548 19.818 -8.084 1.00 5.58 H new ATOM 0 HZ2 LYS B 55 -16.348 18.136 -7.964 1.00 5.58 H new ATOM 0 HZ3 LYS B 55 -17.845 18.843 -7.584 1.00 5.58 H new ATOM 2520 N ASP B 56 -16.957 14.658 -1.365 1.00 1.36 N ATOM 2521 CA ASP B 56 -17.389 13.460 -0.637 1.00 1.50 C ATOM 2522 C ASP B 56 -17.739 12.301 -1.594 1.00 1.27 C ATOM 2523 O ASP B 56 -17.031 11.296 -1.607 1.00 1.44 O ATOM 2524 CB ASP B 56 -18.553 13.775 0.330 1.00 2.13 C ATOM 2525 CG ASP B 56 -19.091 12.553 1.055 1.00 2.84 C ATOM 2526 OD1 ASP B 56 -19.943 11.835 0.481 1.00 3.39 O ATOM 2527 OD2 ASP B 56 -18.694 12.320 2.214 1.00 3.44 O ATOM 0 H ASP B 56 -16.952 14.554 -2.380 1.00 1.36 H new ATOM 0 HA ASP B 56 -16.545 13.128 -0.033 1.00 1.50 H new ATOM 0 HB2 ASP B 56 -18.215 14.504 1.066 1.00 2.13 H new ATOM 0 HB3 ASP B 56 -19.364 14.240 -0.230 1.00 2.13 H new ATOM 2532 N PRO B 57 -18.816 12.390 -2.416 1.00 1.06 N ATOM 2533 CA PRO B 57 -19.227 11.264 -3.252 1.00 1.02 C ATOM 2534 C PRO B 57 -18.410 11.090 -4.538 1.00 0.76 C ATOM 2535 O PRO B 57 -17.809 10.036 -4.757 1.00 0.70 O ATOM 2536 CB PRO B 57 -20.680 11.586 -3.591 1.00 1.20 C ATOM 2537 CG PRO B 57 -20.753 13.070 -3.570 1.00 1.20 C ATOM 2538 CD PRO B 57 -19.738 13.531 -2.560 1.00 1.14 C ATOM 0 HA PRO B 57 -19.078 10.323 -2.722 1.00 1.02 H new ATOM 0 HB2 PRO B 57 -20.956 11.190 -4.568 1.00 1.20 H new ATOM 0 HB3 PRO B 57 -21.363 11.146 -2.864 1.00 1.20 H new ATOM 0 HG2 PRO B 57 -20.536 13.483 -4.555 1.00 1.20 H new ATOM 0 HG3 PRO B 57 -21.753 13.406 -3.296 1.00 1.20 H new ATOM 0 HD2 PRO B 57 -19.214 14.424 -2.902 1.00 1.14 H new ATOM 0 HD3 PRO B 57 -20.209 13.783 -1.610 1.00 1.14 H new ATOM 2546 N GLY B 58 -18.374 12.127 -5.370 1.00 0.67 N ATOM 2547 CA GLY B 58 -17.828 12.004 -6.713 1.00 0.56 C ATOM 2548 C GLY B 58 -16.361 11.650 -6.738 1.00 0.49 C ATOM 2549 O GLY B 58 -15.877 11.076 -7.709 1.00 0.48 O ATOM 0 H GLY B 58 -18.716 13.059 -5.136 1.00 0.67 H new ATOM 0 HA2 GLY B 58 -18.387 11.241 -7.255 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -17.975 12.944 -7.244 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.648 11.977 -5.676 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.225 11.701 -5.623 1.00 0.52 C ATOM 2555 C VAL B 59 -13.953 10.211 -5.612 1.00 0.49 C ATOM 2556 O VAL B 59 -13.059 9.733 -6.306 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.549 12.356 -4.402 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.225 11.922 -3.112 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.067 12.017 -4.370 1.00 0.66 C ATOM 0 H VAL B 59 -16.027 12.430 -4.845 1.00 0.52 H new ATOM 0 HA VAL B 59 -13.796 12.137 -6.525 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.655 13.437 -4.492 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.731 12.397 -2.265 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.274 12.218 -3.133 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.156 10.839 -3.012 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.605 12.487 -3.502 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.942 10.936 -4.307 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.590 12.384 -5.279 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.743 9.479 -4.851 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.567 8.043 -4.760 1.00 0.46 C ATOM 2571 C LEU B 60 -14.904 7.418 -6.094 1.00 0.43 C ATOM 2572 O LEU B 60 -14.443 6.329 -6.422 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.445 7.446 -3.666 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.447 8.223 -2.351 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.250 7.486 -1.293 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.025 8.461 -1.880 1.00 0.52 C ATOM 0 H LEU B 60 -15.509 9.852 -4.290 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.529 7.834 -4.503 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.468 7.382 -4.036 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.113 6.427 -3.469 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.921 9.190 -2.520 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.238 8.057 -0.364 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.279 7.368 -1.634 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.810 6.504 -1.121 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.040 9.016 -0.942 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.527 7.503 -1.727 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.484 9.035 -2.632 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.699 8.141 -6.869 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.040 7.709 -8.212 1.00 0.46 C ATOM 2590 C ASP B 61 -14.844 7.911 -9.120 1.00 0.47 C ATOM 2591 O ASP B 61 -14.513 7.058 -9.941 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.241 8.479 -8.762 1.00 0.47 C ATOM 2593 CG ASP B 61 -17.872 7.783 -9.957 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -17.397 7.988 -11.097 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -18.849 7.026 -9.768 1.00 1.22 O ATOM 0 H ASP B 61 -16.118 9.028 -6.590 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.310 6.654 -8.174 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -17.987 8.595 -7.976 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -16.926 9.481 -9.052 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.187 9.048 -8.940 1.00 0.47 N ATOM 2601 CA ARG B 62 -12.982 9.375 -9.685 1.00 0.51 C ATOM 2602 C ARG B 62 -11.896 8.347 -9.404 1.00 0.50 C ATOM 2603 O ARG B 62 -11.164 7.935 -10.306 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.487 10.766 -9.304 1.00 0.55 C ATOM 2605 CG ARG B 62 -13.533 11.851 -9.482 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.019 13.192 -9.003 1.00 0.62 C ATOM 2607 NE ARG B 62 -11.754 13.556 -9.644 1.00 1.45 N ATOM 2608 CZ ARG B 62 -10.829 14.334 -9.082 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -11.038 14.863 -7.881 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -9.695 14.586 -9.726 1.00 3.02 N ATOM 0 H ARG B 62 -14.474 9.767 -8.276 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.218 9.362 -10.749 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.160 10.754 -8.264 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -11.614 11.011 -9.910 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -13.813 11.921 -10.533 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.434 11.585 -8.929 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -13.764 13.960 -9.209 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.882 13.163 -7.922 1.00 0.62 H new ATOM 0 HE ARG B 62 -11.569 13.192 -10.579 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -11.909 14.674 -7.385 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -10.327 15.458 -7.455 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -9.533 14.184 -10.649 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -8.986 15.181 -9.297 1.00 3.02 H new ATOM 2624 N MET B 63 -11.798 7.940 -8.144 1.00 0.45 N ATOM 2625 CA MET B 63 -10.857 6.901 -7.755 1.00 0.44 C ATOM 2626 C MET B 63 -11.277 5.592 -8.389 1.00 0.41 C ATOM 2627 O MET B 63 -10.498 4.949 -9.088 1.00 0.42 O ATOM 2628 CB MET B 63 -10.808 6.736 -6.237 1.00 0.43 C ATOM 2629 CG MET B 63 -10.719 8.051 -5.486 1.00 0.49 C ATOM 2630 SD MET B 63 -9.360 9.103 -6.045 1.00 0.63 S ATOM 2631 CE MET B 63 -7.939 8.090 -5.641 1.00 1.54 C ATOM 0 H MET B 63 -12.358 8.313 -7.377 1.00 0.45 H new ATOM 0 HA MET B 63 -9.863 7.189 -8.097 1.00 0.44 H new ATOM 0 HB2 MET B 63 -11.698 6.200 -5.909 1.00 0.43 H new ATOM 0 HB3 MET B 63 -9.949 6.118 -5.975 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.659 8.591 -5.601 1.00 0.49 H new ATOM 0 HG3 MET B 63 -10.597 7.846 -4.422 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.025 8.633 -5.881 1.00 1.54 H new ATOM 0 HE2 MET B 63 -7.952 7.853 -4.577 1.00 1.54 H new ATOM 0 HE3 MET B 63 -7.974 7.167 -6.219 1.00 1.54 H new ATOM 2641 N MET B 64 -12.535 5.238 -8.154 1.00 0.41 N ATOM 2642 CA MET B 64 -13.141 4.028 -8.687 1.00 0.42 C ATOM 2643 C MET B 64 -12.798 3.803 -10.151 1.00 0.44 C ATOM 2644 O MET B 64 -12.270 2.764 -10.507 1.00 0.41 O ATOM 2645 CB MET B 64 -14.658 4.098 -8.470 1.00 0.55 C ATOM 2646 CG MET B 64 -15.485 3.183 -9.353 1.00 0.65 C ATOM 2647 SD MET B 64 -14.908 1.488 -9.389 1.00 1.87 S ATOM 2648 CE MET B 64 -15.906 0.886 -10.740 1.00 2.41 C ATOM 0 H MET B 64 -13.170 5.792 -7.580 1.00 0.41 H new ATOM 0 HA MET B 64 -12.733 3.170 -8.152 1.00 0.42 H new ATOM 0 HB2 MET B 64 -14.870 3.858 -7.428 1.00 0.55 H new ATOM 0 HB3 MET B 64 -14.984 5.125 -8.634 1.00 0.55 H new ATOM 0 HG2 MET B 64 -16.518 3.197 -9.006 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.485 3.578 -10.369 1.00 0.65 H new ATOM 0 HE1 MET B 64 -15.540 -0.091 -11.055 1.00 2.41 H new ATOM 0 HE2 MET B 64 -16.943 0.798 -10.416 1.00 2.41 H new ATOM 0 HE3 MET B 64 -15.845 1.583 -11.576 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.041 4.787 -10.983 1.00 0.52 N ATOM 2659 CA LYS B 65 -12.907 4.598 -12.421 1.00 0.56 C ATOM 2660 C LYS B 65 -11.444 4.581 -12.857 1.00 0.54 C ATOM 2661 O LYS B 65 -11.103 4.032 -13.906 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.699 5.682 -13.131 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.119 5.757 -12.606 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.932 4.541 -13.014 1.00 0.86 C ATOM 2665 CE LYS B 65 -17.338 4.594 -12.435 1.00 1.57 C ATOM 2666 NZ LYS B 65 -18.035 5.868 -12.765 1.00 2.49 N ATOM 0 H LYS B 65 -13.331 5.723 -10.699 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.311 3.623 -12.695 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.207 6.645 -12.994 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.715 5.482 -14.202 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.102 5.836 -11.519 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.600 6.660 -12.983 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.986 4.486 -14.101 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -15.430 3.635 -12.674 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.919 3.755 -12.818 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -17.288 4.479 -11.352 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -19.048 5.776 -12.547 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.629 6.642 -12.202 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -17.916 6.077 -13.777 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.586 5.173 -12.045 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.150 5.101 -12.265 1.00 0.52 C ATOM 2682 C LYS B 66 -8.644 3.706 -11.923 1.00 0.48 C ATOM 2683 O LYS B 66 -7.884 3.093 -12.671 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.435 6.116 -11.373 1.00 0.55 C ATOM 2685 CG LYS B 66 -6.920 6.015 -11.427 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.290 6.307 -10.072 1.00 0.96 C ATOM 2687 CE LYS B 66 -6.654 7.689 -9.551 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.126 8.771 -10.422 1.00 1.47 N ATOM 0 H LYS B 66 -10.859 5.712 -11.223 1.00 0.50 H new ATOM 0 HA LYS B 66 -8.945 5.322 -13.313 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -8.734 7.121 -11.669 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.763 5.976 -10.343 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.633 5.016 -11.755 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.534 6.716 -12.167 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -6.614 5.554 -9.354 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -5.206 6.226 -10.153 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -7.738 7.776 -9.482 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.260 7.811 -8.542 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -6.323 9.695 -9.987 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.099 8.655 -10.536 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.586 8.722 -11.354 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.098 3.218 -10.784 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.600 1.980 -10.215 1.00 0.39 C ATOM 2704 C LEU B 67 -9.272 0.771 -10.834 1.00 0.40 C ATOM 2705 O LEU B 67 -8.681 -0.300 -10.892 1.00 0.46 O ATOM 2706 CB LEU B 67 -8.859 1.980 -8.727 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.401 3.243 -7.995 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -8.966 3.279 -6.589 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -6.882 3.332 -7.968 1.00 0.37 C ATOM 0 H LEU B 67 -9.823 3.669 -10.227 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.531 1.918 -10.421 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -9.928 1.847 -8.559 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.357 1.119 -8.285 1.00 0.34 H new ATOM 0 HG LEU B 67 -8.781 4.108 -8.539 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.629 4.185 -6.085 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.055 3.273 -6.634 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.621 2.406 -6.036 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.580 4.238 -7.443 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.476 2.461 -7.453 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.501 3.361 -8.989 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.519 0.941 -11.260 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.278 -0.133 -11.896 1.00 0.42 C ATOM 2723 C ASP B 68 -10.681 -0.441 -13.255 1.00 0.52 C ATOM 2724 O ASP B 68 -11.235 -0.131 -14.311 1.00 0.57 O ATOM 2725 CB ASP B 68 -12.748 0.243 -12.014 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.588 -0.837 -12.682 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -13.250 -2.034 -12.565 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -14.592 -0.488 -13.339 1.00 1.13 O ATOM 0 H ASP B 68 -11.030 1.820 -11.176 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.218 -1.028 -11.277 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.147 0.442 -11.019 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -12.836 1.168 -12.584 1.00 0.43 H new ATOM 2733 N THR B 69 -9.522 -1.039 -13.179 1.00 0.58 N ATOM 2734 CA THR B 69 -8.698 -1.356 -14.321 1.00 0.74 C ATOM 2735 C THR B 69 -9.324 -2.450 -15.181 1.00 0.83 C ATOM 2736 O THR B 69 -8.922 -2.675 -16.322 1.00 0.99 O ATOM 2737 CB THR B 69 -7.324 -1.803 -13.802 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.303 -1.584 -14.787 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.355 -3.274 -13.414 1.00 0.82 C ATOM 0 H THR B 69 -9.110 -1.330 -12.292 1.00 0.58 H new ATOM 0 HA THR B 69 -8.602 -0.474 -14.954 1.00 0.74 H new ATOM 0 HB THR B 69 -7.090 -1.204 -12.922 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.438 -1.875 -14.431 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.373 -3.575 -13.048 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.097 -3.428 -12.630 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.617 -3.875 -14.285 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.318 -3.119 -14.629 1.00 0.80 N ATOM 2748 CA ASN B 70 -10.935 -4.243 -15.301 1.00 0.94 C ATOM 2749 C ASN B 70 -12.307 -3.863 -15.831 1.00 0.86 C ATOM 2750 O ASN B 70 -12.900 -4.577 -16.642 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.042 -5.412 -14.325 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.462 -6.707 -14.993 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.166 -6.944 -16.165 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.144 -7.563 -14.249 1.00 1.66 N ATOM 0 H ASN B 70 -10.715 -2.902 -13.715 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.319 -4.537 -16.151 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.079 -5.558 -13.835 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -11.762 -5.162 -13.545 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -12.443 -8.455 -14.643 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -12.370 -7.331 -13.282 1.00 1.66 H new ATOM 2761 N SER B 71 -12.792 -2.713 -15.367 1.00 0.70 N ATOM 2762 CA SER B 71 -14.120 -2.232 -15.703 1.00 0.66 C ATOM 2763 C SER B 71 -15.160 -3.234 -15.232 1.00 0.61 C ATOM 2764 O SER B 71 -16.125 -3.538 -15.928 1.00 0.66 O ATOM 2765 CB SER B 71 -14.244 -1.961 -17.206 1.00 0.82 C ATOM 2766 OG SER B 71 -13.269 -1.017 -17.629 1.00 1.48 O ATOM 0 H SER B 71 -12.271 -2.092 -14.748 1.00 0.70 H new ATOM 0 HA SER B 71 -14.293 -1.285 -15.192 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.120 -2.892 -17.760 1.00 0.82 H new ATOM 0 HB3 SER B 71 -15.242 -1.586 -17.432 1.00 0.82 H new ATOM 0 HG SER B 71 -13.363 -0.858 -18.591 1.00 1.48 H new ATOM 2772 N ASP B 72 -14.943 -3.738 -14.027 1.00 0.58 N ATOM 2773 CA ASP B 72 -15.829 -4.724 -13.438 1.00 0.65 C ATOM 2774 C ASP B 72 -16.884 -3.997 -12.634 1.00 0.56 C ATOM 2775 O ASP B 72 -17.936 -4.545 -12.306 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.040 -5.682 -12.537 1.00 0.80 C ATOM 2777 CG ASP B 72 -15.876 -6.848 -12.043 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -16.067 -7.810 -12.816 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -16.339 -6.816 -10.882 1.00 1.56 O ATOM 0 H ASP B 72 -14.154 -3.476 -13.436 1.00 0.58 H new ATOM 0 HA ASP B 72 -16.300 -5.314 -14.224 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -14.180 -6.065 -13.087 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -14.652 -5.131 -11.681 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.589 -2.739 -12.340 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.502 -1.927 -11.576 1.00 0.46 C ATOM 2786 C GLY B 73 -17.169 -1.970 -10.108 1.00 0.41 C ATOM 2787 O GLY B 73 -17.957 -1.545 -9.262 1.00 0.44 O ATOM 0 H GLY B 73 -15.729 -2.268 -12.620 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.462 -0.897 -11.931 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.522 -2.278 -11.731 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.981 -2.475 -9.818 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.510 -2.628 -8.459 1.00 0.37 C ATOM 2793 C GLN B 74 -14.009 -2.441 -8.425 1.00 0.36 C ATOM 2794 O GLN B 74 -13.366 -2.332 -9.468 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.829 -4.027 -7.942 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.276 -4.434 -8.113 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.570 -5.798 -7.543 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.937 -5.922 -6.381 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -17.410 -6.829 -8.355 1.00 1.25 N ATOM 0 H GLN B 74 -15.316 -2.790 -10.525 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.004 -1.884 -7.834 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.196 -4.747 -8.461 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.571 -4.079 -6.884 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.916 -3.697 -7.628 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.528 -4.426 -9.173 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.102 -6.679 -9.316 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.594 -7.775 -8.021 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.455 -2.441 -7.233 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.019 -2.340 -7.064 1.00 0.31 C ATOM 2810 C LEU B 75 -11.495 -3.545 -6.333 1.00 0.32 C ATOM 2811 O LEU B 75 -11.880 -3.813 -5.198 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.661 -1.080 -6.303 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.168 0.194 -6.945 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.733 1.401 -6.136 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.666 0.264 -8.375 1.00 0.35 C ATOM 0 H LEU B 75 -13.979 -2.510 -6.361 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.559 -2.295 -8.051 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.065 -1.151 -5.293 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.577 -1.021 -6.209 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.258 0.193 -6.962 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.105 2.310 -6.610 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.137 1.327 -5.126 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.645 1.435 -6.090 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.028 1.179 -8.843 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.576 0.261 -8.379 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.033 -0.598 -8.932 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.613 -4.270 -6.979 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.082 -5.477 -6.385 1.00 0.36 C ATOM 2829 C ASP B 76 -8.902 -5.109 -5.503 1.00 0.33 C ATOM 2830 O ASP B 76 -8.467 -3.959 -5.511 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.695 -6.490 -7.471 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.206 -6.530 -7.756 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.709 -5.653 -8.477 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -7.525 -7.453 -7.258 1.00 1.68 O ATOM 0 H ASP B 76 -10.250 -4.050 -7.906 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.842 -5.956 -5.768 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.025 -7.483 -7.165 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.227 -6.246 -8.391 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.408 -6.067 -4.733 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.327 -5.822 -3.783 1.00 0.49 C ATOM 2841 C PHE B 77 -6.175 -5.075 -4.445 1.00 0.39 C ATOM 2842 O PHE B 77 -5.715 -4.049 -3.949 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.824 -7.150 -3.239 1.00 0.72 C ATOM 2844 CG PHE B 77 -6.198 -7.052 -1.881 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.974 -7.149 -0.740 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -4.834 -6.868 -1.747 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -6.399 -7.063 0.511 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -4.256 -6.780 -0.499 1.00 3.67 C ATOM 2849 CZ PHE B 77 -5.037 -6.877 0.632 1.00 4.14 C ATOM 0 H PHE B 77 -8.741 -7.031 -4.747 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.713 -5.207 -2.971 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.657 -7.852 -3.195 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -6.095 -7.564 -3.935 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -8.041 -7.293 -0.829 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -4.216 -6.793 -2.629 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -7.014 -7.141 1.395 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -3.190 -6.635 -0.407 1.00 3.67 H new ATOM 0 HZ PHE B 77 -4.585 -6.808 1.610 1.00 4.14 H new ATOM 2859 N SER B 78 -5.740 -5.599 -5.580 1.00 0.38 N ATOM 2860 CA SER B 78 -4.647 -5.025 -6.345 1.00 0.38 C ATOM 2861 C SER B 78 -4.936 -3.576 -6.728 1.00 0.38 C ATOM 2862 O SER B 78 -4.060 -2.711 -6.651 1.00 0.44 O ATOM 2863 CB SER B 78 -4.439 -5.850 -7.613 1.00 0.44 C ATOM 2864 OG SER B 78 -4.917 -7.178 -7.442 1.00 1.32 O ATOM 0 H SER B 78 -6.139 -6.440 -5.998 1.00 0.38 H new ATOM 0 HA SER B 78 -3.749 -5.040 -5.727 1.00 0.38 H new ATOM 0 HB2 SER B 78 -4.958 -5.378 -8.447 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.379 -5.871 -7.867 1.00 0.44 H new ATOM 0 HG SER B 78 -5.830 -7.244 -7.791 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.171 -3.309 -7.127 1.00 0.36 N ATOM 2871 CA GLU B 79 -6.534 -1.990 -7.620 1.00 0.42 C ATOM 2872 C GLU B 79 -6.771 -1.035 -6.469 1.00 0.33 C ATOM 2873 O GLU B 79 -6.519 0.165 -6.572 1.00 0.33 O ATOM 2874 CB GLU B 79 -7.762 -2.072 -8.519 1.00 0.51 C ATOM 2875 CG GLU B 79 -7.520 -2.916 -9.757 1.00 0.64 C ATOM 2876 CD GLU B 79 -6.168 -2.639 -10.383 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -5.978 -1.538 -10.940 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -5.284 -3.521 -10.324 1.00 2.54 O ATOM 0 H GLU B 79 -6.935 -3.985 -7.119 1.00 0.36 H new ATOM 0 HA GLU B 79 -5.704 -1.606 -8.213 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -8.595 -2.491 -7.954 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.056 -1.066 -8.820 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.587 -3.972 -9.494 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.304 -2.719 -10.488 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.238 -1.580 -5.366 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.417 -0.808 -4.160 1.00 0.25 C ATOM 2887 C PHE B 80 -6.061 -0.447 -3.562 1.00 0.23 C ATOM 2888 O PHE B 80 -5.928 0.526 -2.826 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.254 -1.587 -3.159 1.00 0.31 C ATOM 2890 CG PHE B 80 -9.404 -0.794 -2.648 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -9.259 0.051 -1.569 1.00 1.60 C ATOM 2892 CD2 PHE B 80 -10.622 -0.874 -3.273 1.00 1.26 C ATOM 2893 CE1 PHE B 80 -10.324 0.800 -1.121 1.00 1.98 C ATOM 2894 CE2 PHE B 80 -11.690 -0.127 -2.837 1.00 1.56 C ATOM 2895 CZ PHE B 80 -11.541 0.713 -1.755 1.00 1.64 C ATOM 0 H PHE B 80 -7.501 -2.562 -5.282 1.00 0.28 H new ATOM 0 HA PHE B 80 -7.943 0.115 -4.405 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -8.624 -2.498 -3.629 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.625 -1.892 -2.322 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -8.303 0.126 -1.071 1.00 1.60 H new ATOM 0 HD2 PHE B 80 -10.744 -1.533 -4.120 1.00 1.26 H new ATOM 0 HE1 PHE B 80 -10.203 1.456 -0.272 1.00 1.98 H new ATOM 0 HE2 PHE B 80 -12.643 -0.198 -3.341 1.00 1.56 H new ATOM 0 HZ PHE B 80 -12.377 1.301 -1.406 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.051 -1.244 -3.880 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.690 -0.931 -3.479 1.00 0.26 C ATOM 2907 C LEU B 81 -3.103 0.129 -4.390 1.00 0.26 C ATOM 2908 O LEU B 81 -2.264 0.921 -3.970 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.816 -2.175 -3.495 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.197 -3.241 -2.468 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.325 -4.462 -2.634 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.090 -2.685 -1.045 1.00 0.29 C ATOM 0 H LEU B 81 -5.149 -2.108 -4.412 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.719 -0.547 -2.459 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -2.858 -2.618 -4.490 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.782 -1.877 -3.322 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.234 -3.532 -2.638 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.607 -5.213 -1.896 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.457 -4.870 -3.636 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.281 -4.186 -2.489 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.366 -3.460 -0.330 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.066 -2.364 -0.856 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.763 -1.834 -0.935 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.547 0.141 -5.640 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.215 1.226 -6.545 1.00 0.26 C ATOM 2926 C ASN B 82 -3.752 2.527 -5.984 1.00 0.23 C ATOM 2927 O ASN B 82 -3.154 3.594 -6.135 1.00 0.24 O ATOM 2928 CB ASN B 82 -3.805 0.977 -7.931 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.019 -0.055 -8.713 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -1.820 -0.233 -8.493 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.673 -0.730 -9.639 1.00 1.42 N ATOM 0 H ASN B 82 -4.135 -0.586 -6.046 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.131 1.284 -6.641 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -4.838 0.644 -7.829 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -3.826 1.914 -8.488 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -3.186 -1.427 -10.202 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -4.666 -0.555 -9.792 1.00 1.42 H new ATOM 2938 N LEU B 83 -4.898 2.413 -5.339 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.484 3.508 -4.598 1.00 0.24 C ATOM 2940 C LEU B 83 -4.575 3.938 -3.464 1.00 0.23 C ATOM 2941 O LEU B 83 -4.215 5.107 -3.360 1.00 0.25 O ATOM 2942 CB LEU B 83 -6.811 3.077 -4.016 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.300 3.955 -2.873 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.697 5.332 -3.382 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.445 3.292 -2.143 1.00 0.36 C ATOM 0 H LEU B 83 -5.448 1.555 -5.316 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.624 4.345 -5.283 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.561 3.078 -4.807 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.724 2.050 -3.660 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.481 4.084 -2.165 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.043 5.942 -2.548 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -6.835 5.810 -3.848 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.497 5.232 -4.115 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.780 3.936 -1.330 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.270 3.124 -2.836 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.113 2.337 -1.736 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.226 2.980 -2.610 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.310 3.221 -1.507 1.00 0.26 C ATOM 2959 C ILE B 84 -2.024 3.864 -2.024 1.00 0.27 C ATOM 2960 O ILE B 84 -1.390 4.661 -1.333 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.013 1.904 -0.754 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.246 1.449 0.037 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.806 2.043 0.168 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -4.654 2.393 1.149 1.00 0.62 C ATOM 0 H ILE B 84 -4.570 2.021 -2.665 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.776 3.910 -0.803 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.773 1.144 -1.498 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.083 1.333 -0.652 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.047 0.466 0.465 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.628 1.097 0.680 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.927 2.308 -0.420 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.998 2.823 0.904 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.533 1.998 1.658 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -3.835 2.491 1.862 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -4.888 3.371 0.729 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.678 3.541 -3.266 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.568 4.176 -3.923 1.00 0.29 C ATOM 2978 C GLY B 85 -0.797 5.661 -4.085 1.00 0.28 C ATOM 2979 O GLY B 85 -0.027 6.462 -3.570 1.00 0.32 O ATOM 0 H GLY B 85 -2.159 2.840 -3.829 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.342 4.008 -3.347 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.414 3.721 -4.902 1.00 0.29 H new ATOM 2983 N GLY B 86 -1.902 6.032 -4.728 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.170 7.435 -4.999 1.00 0.30 C ATOM 2985 C GLY B 86 -2.432 8.202 -3.725 1.00 0.29 C ATOM 2986 O GLY B 86 -2.176 9.404 -3.633 1.00 0.34 O ATOM 0 H GLY B 86 -2.616 5.387 -5.066 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.321 7.875 -5.522 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.032 7.521 -5.661 1.00 0.30 H new ATOM 2990 N LEU B 87 -2.933 7.479 -2.742 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.183 8.015 -1.421 1.00 0.25 C ATOM 2992 C LEU B 87 -1.873 8.357 -0.737 1.00 0.26 C ATOM 2993 O LEU B 87 -1.635 9.506 -0.357 1.00 0.29 O ATOM 2994 CB LEU B 87 -3.929 6.983 -0.587 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.440 6.912 -0.791 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -5.985 5.653 -0.147 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.118 8.137 -0.198 1.00 0.35 C ATOM 0 H LEU B 87 -3.180 6.494 -2.840 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.784 8.920 -1.516 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.508 6.001 -0.802 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.735 7.189 0.466 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.648 6.888 -1.861 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.064 5.606 -0.295 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.518 4.780 -0.603 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.765 5.666 0.921 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.195 8.068 -0.353 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -5.908 8.188 0.870 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -5.738 9.035 -0.685 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.020 7.348 -0.594 1.00 0.25 N ATOM 3010 CA ALA B 88 0.273 7.518 0.045 1.00 0.27 C ATOM 3011 C ALA B 88 1.091 8.552 -0.673 1.00 0.29 C ATOM 3012 O ALA B 88 1.821 9.318 -0.063 1.00 0.35 O ATOM 3013 CB ALA B 88 1.051 6.225 0.050 1.00 0.26 C ATOM 0 H ALA B 88 -1.206 6.398 -0.916 1.00 0.25 H new ATOM 0 HA ALA B 88 0.083 7.837 1.070 1.00 0.27 H new ATOM 0 HB1 ALA B 88 2.015 6.382 0.534 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.491 5.465 0.595 1.00 0.26 H new ATOM 0 HB3 ALA B 88 1.211 5.892 -0.976 1.00 0.26 H new ATOM 3019 N MET B 89 0.973 8.541 -1.980 1.00 0.29 N ATOM 3020 CA MET B 89 1.689 9.463 -2.821 1.00 0.32 C ATOM 3021 C MET B 89 1.280 10.893 -2.528 1.00 0.34 C ATOM 3022 O MET B 89 2.116 11.792 -2.485 1.00 0.39 O ATOM 3023 CB MET B 89 1.430 9.123 -4.276 1.00 0.34 C ATOM 3024 CG MET B 89 2.152 7.871 -4.722 1.00 0.42 C ATOM 3025 SD MET B 89 1.926 7.546 -6.484 1.00 1.03 S ATOM 3026 CE MET B 89 2.420 9.113 -7.200 1.00 1.89 C ATOM 0 H MET B 89 0.375 7.889 -2.489 1.00 0.29 H new ATOM 0 HA MET B 89 2.756 9.374 -2.615 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.359 8.993 -4.429 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.742 9.959 -4.901 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.216 7.970 -4.506 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.788 7.019 -4.147 1.00 0.42 H new ATOM 0 HE1 MET B 89 2.809 8.947 -8.205 1.00 1.89 H new ATOM 0 HE2 MET B 89 1.558 9.778 -7.250 1.00 1.89 H new ATOM 0 HE3 MET B 89 3.194 9.568 -6.582 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.009 11.092 -2.298 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.532 12.408 -1.988 1.00 0.39 C ATOM 3038 C ALA B 90 -0.102 12.830 -0.591 1.00 0.42 C ATOM 3039 O ALA B 90 0.251 13.982 -0.359 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.047 12.406 -2.109 1.00 0.46 C ATOM 0 H ALA B 90 -0.712 10.354 -2.321 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.129 13.128 -2.700 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.432 13.398 -1.874 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.330 12.138 -3.127 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.467 11.680 -1.413 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.112 11.875 0.327 1.00 0.41 N ATOM 3047 CA CYS B 91 0.276 12.126 1.709 1.00 0.47 C ATOM 3048 C CYS B 91 1.778 12.382 1.817 1.00 0.44 C ATOM 3049 O CYS B 91 2.219 13.236 2.581 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.123 10.938 2.584 1.00 0.55 C ATOM 3051 SG CYS B 91 -1.885 10.545 2.519 1.00 1.76 S ATOM 0 H CYS B 91 -0.387 10.911 0.138 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.244 13.018 2.057 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.447 10.062 2.274 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.155 11.149 3.617 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.171 10.026 1.362 1.00 1.76 H new ATOM 3057 N HIS B 92 2.556 11.642 1.041 1.00 0.41 N ATOM 3058 CA HIS B 92 4.000 11.812 1.013 1.00 0.46 C ATOM 3059 C HIS B 92 4.344 13.120 0.330 1.00 0.45 C ATOM 3060 O HIS B 92 5.245 13.829 0.757 1.00 0.49 O ATOM 3061 CB HIS B 92 4.678 10.646 0.288 1.00 0.54 C ATOM 3062 CG HIS B 92 6.174 10.762 0.216 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.864 10.845 -0.972 1.00 2.12 N ATOM 3064 CD2 HIS B 92 7.112 10.804 1.194 1.00 1.96 C ATOM 3065 CE1 HIS B 92 8.157 10.929 -0.726 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.339 10.909 0.583 1.00 2.62 N ATOM 0 H HIS B 92 2.208 10.913 0.418 1.00 0.41 H new ATOM 0 HA HIS B 92 4.367 11.829 2.039 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.419 9.716 0.795 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.279 10.579 -0.724 1.00 0.54 H new ATOM 0 HD2 HIS B 92 6.929 10.763 2.258 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.937 11.002 -1.470 1.00 2.74 H new ATOM 0 HE2 HIS B 92 9.239 10.963 1.060 1.00 2.62 H new ATOM 3075 N ASP B 93 3.620 13.435 -0.730 1.00 0.45 N ATOM 3076 CA ASP B 93 3.785 14.712 -1.406 1.00 0.52 C ATOM 3077 C ASP B 93 3.452 15.847 -0.444 1.00 0.56 C ATOM 3078 O ASP B 93 4.130 16.867 -0.413 1.00 0.65 O ATOM 3079 CB ASP B 93 2.894 14.775 -2.642 1.00 0.54 C ATOM 3080 CG ASP B 93 3.063 16.069 -3.416 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.094 16.227 -4.099 1.00 1.74 O ATOM 3082 OD2 ASP B 93 2.158 16.929 -3.354 1.00 1.48 O ATOM 0 H ASP B 93 2.913 12.826 -1.141 1.00 0.45 H new ATOM 0 HA ASP B 93 4.821 14.816 -1.729 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.124 13.933 -3.295 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.852 14.670 -2.340 1.00 0.54 H new ATOM 3087 N SER B 94 2.422 15.639 0.368 1.00 0.54 N ATOM 3088 CA SER B 94 2.068 16.583 1.422 1.00 0.60 C ATOM 3089 C SER B 94 3.209 16.690 2.422 1.00 0.63 C ATOM 3090 O SER B 94 3.541 17.772 2.886 1.00 0.70 O ATOM 3091 CB SER B 94 0.801 16.126 2.144 1.00 0.65 C ATOM 3092 OG SER B 94 -0.292 16.004 1.247 1.00 1.26 O ATOM 0 H SER B 94 1.815 14.821 0.316 1.00 0.54 H new ATOM 0 HA SER B 94 1.886 17.557 0.969 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.983 15.168 2.630 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.551 16.839 2.929 1.00 0.65 H new ATOM 0 HG SER B 94 -0.304 15.101 0.867 1.00 1.26 H new ATOM 3098 N PHE B 95 3.801 15.543 2.733 1.00 0.60 N ATOM 3099 CA PHE B 95 4.945 15.458 3.627 1.00 0.67 C ATOM 3100 C PHE B 95 6.099 16.290 3.078 1.00 0.73 C ATOM 3101 O PHE B 95 6.789 16.977 3.819 1.00 0.84 O ATOM 3102 CB PHE B 95 5.355 13.988 3.762 1.00 0.64 C ATOM 3103 CG PHE B 95 6.338 13.702 4.861 1.00 0.78 C ATOM 3104 CD1 PHE B 95 6.096 14.133 6.154 1.00 1.29 C ATOM 3105 CD2 PHE B 95 7.492 12.980 4.602 1.00 1.80 C ATOM 3106 CE1 PHE B 95 6.989 13.854 7.167 1.00 1.76 C ATOM 3107 CE2 PHE B 95 8.390 12.700 5.614 1.00 2.35 C ATOM 3108 CZ PHE B 95 8.138 13.136 6.898 1.00 2.07 C ATOM 0 H PHE B 95 3.497 14.640 2.368 1.00 0.60 H new ATOM 0 HA PHE B 95 4.682 15.852 4.609 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.459 13.391 3.932 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.784 13.658 2.816 1.00 0.64 H new ATOM 0 HD1 PHE B 95 5.199 14.693 6.372 1.00 1.29 H new ATOM 0 HD2 PHE B 95 7.691 12.633 3.599 1.00 1.80 H new ATOM 0 HE1 PHE B 95 6.790 14.197 8.172 1.00 1.76 H new ATOM 0 HE2 PHE B 95 9.288 12.140 5.400 1.00 2.35 H new ATOM 0 HZ PHE B 95 8.837 12.917 7.691 1.00 2.07 H new ATOM 3118 N LEU B 96 6.279 16.228 1.767 1.00 0.69 N ATOM 3119 CA LEU B 96 7.304 17.007 1.080 1.00 0.81 C ATOM 3120 C LEU B 96 6.975 18.488 1.135 1.00 0.91 C ATOM 3121 O LEU B 96 7.851 19.333 1.314 1.00 1.09 O ATOM 3122 CB LEU B 96 7.414 16.564 -0.381 1.00 0.83 C ATOM 3123 CG LEU B 96 8.399 15.428 -0.665 1.00 0.87 C ATOM 3124 CD1 LEU B 96 9.829 15.904 -0.483 1.00 1.22 C ATOM 3125 CD2 LEU B 96 8.121 14.239 0.232 1.00 1.08 C ATOM 0 H LEU B 96 5.721 15.639 1.149 1.00 0.69 H new ATOM 0 HA LEU B 96 8.256 16.836 1.583 1.00 0.81 H new ATOM 0 HB2 LEU B 96 6.426 16.255 -0.722 1.00 0.83 H new ATOM 0 HB3 LEU B 96 7.703 17.427 -0.981 1.00 0.83 H new ATOM 0 HG LEU B 96 8.267 15.115 -1.701 1.00 0.87 H new ATOM 0 HD11 LEU B 96 10.515 15.082 -0.689 1.00 1.22 H new ATOM 0 HD12 LEU B 96 10.029 16.725 -1.171 1.00 1.22 H new ATOM 0 HD13 LEU B 96 9.971 16.246 0.542 1.00 1.22 H new ATOM 0 HD21 LEU B 96 8.833 13.443 0.013 1.00 1.08 H new ATOM 0 HD22 LEU B 96 8.222 14.539 1.275 1.00 1.08 H new ATOM 0 HD23 LEU B 96 7.108 13.878 0.054 1.00 1.08 H new ATOM 3137 N LYS B 97 5.697 18.784 0.991 1.00 0.83 N ATOM 3138 CA LYS B 97 5.211 20.153 0.983 1.00 0.94 C ATOM 3139 C LYS B 97 4.994 20.658 2.408 1.00 0.98 C ATOM 3140 O LYS B 97 4.498 21.767 2.621 1.00 1.14 O ATOM 3141 CB LYS B 97 3.908 20.234 0.176 1.00 0.94 C ATOM 3142 CG LYS B 97 4.100 20.331 -1.339 1.00 0.99 C ATOM 3143 CD LYS B 97 5.062 19.282 -1.879 1.00 1.25 C ATOM 3144 CE LYS B 97 5.284 19.432 -3.375 1.00 2.06 C ATOM 3145 NZ LYS B 97 5.853 20.761 -3.728 1.00 2.65 N ATOM 0 H LYS B 97 4.965 18.083 0.876 1.00 0.83 H new ATOM 0 HA LYS B 97 5.960 20.790 0.512 1.00 0.94 H new ATOM 0 HB2 LYS B 97 3.305 19.354 0.397 1.00 0.94 H new ATOM 0 HB3 LYS B 97 3.341 21.102 0.513 1.00 0.94 H new ATOM 0 HG2 LYS B 97 3.134 20.219 -1.831 1.00 0.99 H new ATOM 0 HG3 LYS B 97 4.473 21.324 -1.591 1.00 0.99 H new ATOM 0 HD2 LYS B 97 6.017 19.364 -1.360 1.00 1.25 H new ATOM 0 HD3 LYS B 97 4.670 18.287 -1.668 1.00 1.25 H new ATOM 0 HE2 LYS B 97 5.956 18.647 -3.721 1.00 2.06 H new ATOM 0 HE3 LYS B 97 4.337 19.294 -3.897 1.00 2.06 H new ATOM 0 HZ1 LYS B 97 6.222 20.734 -4.700 1.00 2.65 H new ATOM 0 HZ2 LYS B 97 5.110 21.486 -3.660 1.00 2.65 H new ATOM 0 HZ3 LYS B 97 6.625 20.994 -3.071 1.00 2.65 H new ATOM 3159 N ALA B 98 5.373 19.839 3.381 1.00 0.99 N ATOM 3160 CA ALA B 98 5.209 20.187 4.782 1.00 1.07 C ATOM 3161 C ALA B 98 6.542 20.136 5.524 1.00 1.10 C ATOM 3162 O ALA B 98 7.079 21.168 5.930 1.00 1.24 O ATOM 3163 CB ALA B 98 4.195 19.262 5.444 1.00 1.01 C ATOM 0 H ALA B 98 5.798 18.925 3.222 1.00 0.99 H new ATOM 0 HA ALA B 98 4.836 21.210 4.833 1.00 1.07 H new ATOM 0 HB1 ALA B 98 4.083 19.536 6.493 1.00 1.01 H new ATOM 0 HB2 ALA B 98 3.233 19.356 4.940 1.00 1.01 H new ATOM 0 HB3 ALA B 98 4.542 18.231 5.373 1.00 1.01 H new ATOM 3169 N VAL B 99 7.078 18.932 5.676 1.00 1.01 N ATOM 3170 CA VAL B 99 8.333 18.718 6.387 1.00 1.07 C ATOM 3171 C VAL B 99 8.773 17.257 6.253 1.00 1.01 C ATOM 3172 O VAL B 99 8.477 16.411 7.095 1.00 1.02 O ATOM 3173 CB VAL B 99 8.238 19.120 7.882 1.00 1.17 C ATOM 3174 CG1 VAL B 99 7.066 18.436 8.577 1.00 1.14 C ATOM 3175 CG2 VAL B 99 9.549 18.813 8.596 1.00 1.25 C ATOM 0 H VAL B 99 6.657 18.078 5.311 1.00 1.01 H new ATOM 0 HA VAL B 99 9.081 19.364 5.928 1.00 1.07 H new ATOM 0 HB VAL B 99 8.058 20.194 7.929 1.00 1.17 H new ATOM 0 HG11 VAL B 99 7.033 18.743 9.622 1.00 1.14 H new ATOM 0 HG12 VAL B 99 6.135 18.721 8.086 1.00 1.14 H new ATOM 0 HG13 VAL B 99 7.190 17.355 8.520 1.00 1.14 H new ATOM 0 HG21 VAL B 99 9.468 19.100 9.644 1.00 1.25 H new ATOM 0 HG22 VAL B 99 9.759 17.746 8.527 1.00 1.25 H new ATOM 0 HG23 VAL B 99 10.358 19.373 8.128 1.00 1.25 H new ATOM 3185 N PRO B 100 9.499 16.942 5.184 1.00 1.01 N ATOM 3186 CA PRO B 100 9.906 15.582 4.885 1.00 1.02 C ATOM 3187 C PRO B 100 11.221 15.215 5.564 1.00 1.28 C ATOM 3188 O PRO B 100 12.068 14.533 4.987 1.00 1.60 O ATOM 3189 CB PRO B 100 10.043 15.606 3.367 1.00 1.04 C ATOM 3190 CG PRO B 100 10.438 17.011 3.033 1.00 1.04 C ATOM 3191 CD PRO B 100 9.994 17.891 4.180 1.00 1.07 C ATOM 0 HA PRO B 100 9.201 14.834 5.247 1.00 1.02 H new ATOM 0 HB2 PRO B 100 10.795 14.894 3.028 1.00 1.04 H new ATOM 0 HB3 PRO B 100 9.105 15.334 2.882 1.00 1.04 H new ATOM 0 HG2 PRO B 100 11.516 17.083 2.889 1.00 1.04 H new ATOM 0 HG3 PRO B 100 9.970 17.330 2.101 1.00 1.04 H new ATOM 0 HD2 PRO B 100 10.819 18.488 4.568 1.00 1.07 H new ATOM 0 HD3 PRO B 100 9.215 18.587 3.870 1.00 1.07 H new ATOM 3199 N SER B 101 11.369 15.659 6.804 1.00 1.57 N ATOM 3200 CA SER B 101 12.580 15.421 7.568 1.00 1.88 C ATOM 3201 C SER B 101 12.334 14.338 8.617 1.00 1.62 C ATOM 3202 O SER B 101 12.765 14.458 9.765 1.00 1.94 O ATOM 3203 CB SER B 101 13.045 16.725 8.230 1.00 2.76 C ATOM 3204 OG SER B 101 14.360 16.608 8.752 1.00 3.39 O ATOM 0 H SER B 101 10.657 16.191 7.304 1.00 1.57 H new ATOM 0 HA SER B 101 13.366 15.075 6.896 1.00 1.88 H new ATOM 0 HB2 SER B 101 13.013 17.535 7.501 1.00 2.76 H new ATOM 0 HB3 SER B 101 12.357 16.991 9.032 1.00 2.76 H new ATOM 0 HG SER B 101 14.403 15.841 9.360 1.00 3.39 H new ATOM 3210 N GLN B 102 11.621 13.290 8.199 1.00 1.61 N ATOM 3211 CA GLN B 102 11.317 12.131 9.049 1.00 2.12 C ATOM 3212 C GLN B 102 10.329 12.492 10.154 1.00 2.74 C ATOM 3213 O GLN B 102 10.671 13.189 11.109 1.00 3.39 O ATOM 3214 CB GLN B 102 12.588 11.530 9.667 1.00 2.47 C ATOM 3215 CG GLN B 102 13.599 11.036 8.645 1.00 3.01 C ATOM 3216 CD GLN B 102 14.753 10.273 9.271 1.00 3.87 C ATOM 3217 OE1 GLN B 102 15.318 9.374 8.648 1.00 4.45 O ATOM 3218 NE2 GLN B 102 15.112 10.615 10.500 1.00 4.44 N ATOM 0 H GLN B 102 11.235 13.219 7.257 1.00 1.61 H new ATOM 0 HA GLN B 102 10.860 11.382 8.402 1.00 2.12 H new ATOM 0 HB2 GLN B 102 13.063 12.281 10.298 1.00 2.47 H new ATOM 0 HB3 GLN B 102 12.307 10.700 10.315 1.00 2.47 H new ATOM 0 HG2 GLN B 102 13.094 10.393 7.925 1.00 3.01 H new ATOM 0 HG3 GLN B 102 13.993 11.888 8.091 1.00 3.01 H new ATOM 0 HE21 GLN B 102 14.620 11.365 10.985 1.00 4.44 H new ATOM 0 HE22 GLN B 102 15.880 10.128 10.961 1.00 4.44 H new ATOM 3227 N LYS B 103 9.103 12.004 10.031 1.00 3.15 N ATOM 3228 CA LYS B 103 8.090 12.231 11.053 1.00 4.07 C ATOM 3229 C LYS B 103 8.181 11.136 12.113 1.00 4.57 C ATOM 3230 O LYS B 103 7.251 10.354 12.315 1.00 5.24 O ATOM 3231 CB LYS B 103 6.689 12.272 10.434 1.00 4.74 C ATOM 3232 CG LYS B 103 5.612 12.755 11.396 1.00 5.31 C ATOM 3233 CD LYS B 103 4.255 12.868 10.718 1.00 6.26 C ATOM 3234 CE LYS B 103 4.249 13.941 9.641 1.00 6.83 C ATOM 3235 NZ LYS B 103 2.904 14.114 9.037 1.00 7.43 N ATOM 0 H LYS B 103 8.786 11.450 9.236 1.00 3.15 H new ATOM 0 HA LYS B 103 8.272 13.198 11.523 1.00 4.07 H new ATOM 0 HB2 LYS B 103 6.705 12.926 9.562 1.00 4.74 H new ATOM 0 HB3 LYS B 103 6.428 11.275 10.080 1.00 4.74 H new ATOM 0 HG2 LYS B 103 5.541 12.066 12.237 1.00 5.31 H new ATOM 0 HG3 LYS B 103 5.897 13.726 11.802 1.00 5.31 H new ATOM 0 HD2 LYS B 103 3.989 11.908 10.276 1.00 6.26 H new ATOM 0 HD3 LYS B 103 3.494 13.098 11.464 1.00 6.26 H new ATOM 0 HE2 LYS B 103 4.578 14.887 10.070 1.00 6.83 H new ATOM 0 HE3 LYS B 103 4.965 13.678 8.863 1.00 6.83 H new ATOM 0 HZ1 LYS B 103 2.944 14.854 8.308 1.00 7.43 H new ATOM 0 HZ2 LYS B 103 2.600 13.218 8.605 1.00 7.43 H new ATOM 0 HZ3 LYS B 103 2.225 14.391 9.775 1.00 7.43 H new ATOM 3249 N ARG B 104 9.328 11.085 12.769 1.00 4.69 N ATOM 3250 CA ARG B 104 9.603 10.085 13.787 1.00 5.54 C ATOM 3251 C ARG B 104 10.872 10.477 14.526 1.00 5.67 C ATOM 3252 O ARG B 104 10.900 10.548 15.754 1.00 5.97 O ATOM 3253 CB ARG B 104 9.786 8.699 13.155 1.00 6.11 C ATOM 3254 CG ARG B 104 9.768 7.561 14.165 1.00 6.81 C ATOM 3255 CD ARG B 104 8.350 7.237 14.609 1.00 7.63 C ATOM 3256 NE ARG B 104 7.570 6.635 13.528 1.00 8.12 N ATOM 3257 CZ ARG B 104 6.272 6.860 13.313 1.00 8.95 C ATOM 3258 NH1 ARG B 104 5.593 7.691 14.096 1.00 9.34 N ATOM 3259 NH2 ARG B 104 5.657 6.249 12.306 1.00 9.59 N ATOM 0 H ARG B 104 10.096 11.737 12.610 1.00 4.69 H new ATOM 0 HA ARG B 104 8.760 10.038 14.477 1.00 5.54 H new ATOM 0 HB2 ARG B 104 8.996 8.536 12.422 1.00 6.11 H new ATOM 0 HB3 ARG B 104 10.732 8.678 12.613 1.00 6.11 H new ATOM 0 HG2 ARG B 104 10.225 6.675 13.725 1.00 6.81 H new ATOM 0 HG3 ARG B 104 10.370 7.833 15.032 1.00 6.81 H new ATOM 0 HD2 ARG B 104 8.381 6.555 15.459 1.00 7.63 H new ATOM 0 HD3 ARG B 104 7.858 8.148 14.949 1.00 7.63 H new ATOM 0 HE ARG B 104 8.052 5.998 12.894 1.00 8.12 H new ATOM 0 HH11 ARG B 104 6.063 8.163 14.868 1.00 9.34 H new ATOM 0 HH12 ARG B 104 4.601 7.857 13.925 1.00 9.34 H new ATOM 0 HH21 ARG B 104 6.177 5.612 11.702 1.00 9.59 H new ATOM 0 HH22 ARG B 104 4.665 6.417 12.137 1.00 9.59 H new ATOM 3273 N THR B 105 11.914 10.738 13.754 1.00 5.80 N ATOM 3274 CA THR B 105 13.187 11.165 14.297 1.00 6.20 C ATOM 3275 C THR B 105 13.639 12.447 13.603 1.00 6.46 C ATOM 3276 O THR B 105 13.345 13.543 14.125 1.00 6.81 O ATOM 3277 CB THR B 105 14.252 10.067 14.118 1.00 6.59 C ATOM 3278 OG1 THR B 105 13.733 8.805 14.568 1.00 6.66 O ATOM 3279 CG2 THR B 105 15.511 10.400 14.901 1.00 7.01 C ATOM 3280 OXT THR B 105 14.251 12.357 12.520 1.00 6.62 O ATOM 0 H THR B 105 11.899 10.659 12.737 1.00 5.80 H new ATOM 0 HA THR B 105 13.064 11.354 15.363 1.00 6.20 H new ATOM 0 HB THR B 105 14.503 10.007 13.059 1.00 6.59 H new ATOM 0 HG1 THR B 105 14.414 8.110 14.450 1.00 6.66 H new ATOM 0 HG21 THR B 105 16.248 9.610 14.758 1.00 7.01 H new ATOM 0 HG22 THR B 105 15.920 11.346 14.547 1.00 7.01 H new ATOM 0 HG23 THR B 105 15.269 10.484 15.961 1.00 7.01 H new TER 3288 THR B 105