USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O6 : rot 51:sc= 0.467 USER MOD Set 1.2: A 123 BGC O6 : rot 31:sc= 1.69 USER MOD Set 2.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 118 A2G O3 : rot 23:sc= 0.756 USER MOD Set 3.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 36 GLN :FLIP amide:sc= -0.342 F(o=-2.2!,f=-0.34) USER MOD Set 4.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 34 GLN : amide:sc= -5.78! C(o=-5.2!,f=-13!) USER MOD Set 5.2: A 68 THR OG1 : rot -157:sc= 0.57 USER MOD Set 6.1: A 1 ASP N :NH3+ -149:sc= 0.203 (180deg=-0.993) USER MOD Set 6.2: A 100 THR OG1 : rot 180:sc= 0.531 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc=-0.00201 X(o=-0.002,f=-0.32) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 14 ASN : amide:sc= -1 X(o=-1,f=-1.3) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc=-0.00335 (180deg=-0.0945) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 0.973 (180deg=0.755) USER MOD Single : A 27 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.2) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 38 SER OG : rot 180:sc= 0.143 USER MOD Single : A 44 SER OG : rot 69:sc= -1.18! USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= 0.879 (180deg=0.223) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -92:sc= 0.0559 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.202 F(o=-2.2,f=-0.2) USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.154) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.063 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -150:sc= 0.337 USER MOD Single : A 101 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 103 ASN : amide:sc= -0.0005 X(o=-0.0005,f=-0.0005) USER MOD Single : A 106 TYR OH : rot 144:sc= 0.267 USER MOD Single : A 110 SER OG : rot -84:sc= 0.143 USER MOD Single : A 111 HIS : no HD1:sc= -0.0732 X(o=-0.073,f=-0.007) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 114 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.0086) USER MOD Single : A 115 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=-0.37) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 A2G O6 : rot -13:sc= -1.32 USER MOD Single : A 121 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 122 A2G O6 : rot 180:sc= 0 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.209 1.658 0.629 1.00 0.24 N ATOM 2 CA ASP A 1 1.114 1.394 -0.483 1.00 54.05 C ATOM 3 C ASP A 1 1.728 2.690 -1.003 1.00 24.04 C ATOM 4 O ASP A 1 1.744 2.944 -2.207 1.00 74.33 O ATOM 5 CB ASP A 1 0.371 0.679 -1.614 1.00 51.04 C ATOM 6 CG ASP A 1 -0.635 -0.331 -1.098 1.00 22.05 C ATOM 7 OD1 ASP A 1 -1.730 0.087 -0.670 1.00 42.22 O ATOM 8 OD2 ASP A 1 -0.325 -1.541 -1.120 1.00 73.01 O ATOM 0 H1 ASP A 1 0.214 0.847 1.281 1.00 0.24 H new ATOM 0 H2 ASP A 1 0.521 2.511 1.135 1.00 0.24 H new ATOM 0 H3 ASP A 1 -0.754 1.804 0.265 1.00 0.24 H new ATOM 0 HA ASP A 1 1.917 0.751 -0.121 1.00 54.05 H new ATOM 0 HB2 ASP A 1 -0.143 1.417 -2.231 1.00 51.04 H new ATOM 0 HB3 ASP A 1 1.092 0.174 -2.256 1.00 51.04 H new ATOM 13 N VAL A 2 2.236 3.508 -0.085 1.00 72.42 N ATOM 14 CA VAL A 2 2.852 4.777 -0.450 1.00 13.44 C ATOM 15 C VAL A 2 4.169 4.982 0.292 1.00 72.54 C ATOM 16 O VAL A 2 4.311 4.581 1.448 1.00 73.15 O ATOM 17 CB VAL A 2 1.917 5.963 -0.147 1.00 12.30 C ATOM 18 CG1 VAL A 2 2.546 7.270 -0.605 1.00 3.11 C ATOM 19 CG2 VAL A 2 0.562 5.754 -0.807 1.00 64.00 C ATOM 0 H VAL A 2 2.232 3.313 0.916 1.00 72.42 H new ATOM 0 HA VAL A 2 3.043 4.739 -1.522 1.00 13.44 H new ATOM 0 HB VAL A 2 1.767 6.019 0.931 1.00 12.30 H new ATOM 0 HG11 VAL A 2 1.871 8.096 -0.383 1.00 3.11 H new ATOM 0 HG12 VAL A 2 3.490 7.422 -0.082 1.00 3.11 H new ATOM 0 HG13 VAL A 2 2.728 7.229 -1.679 1.00 3.11 H new ATOM 0 HG21 VAL A 2 -0.086 6.601 -0.583 1.00 64.00 H new ATOM 0 HG22 VAL A 2 0.692 5.672 -1.886 1.00 64.00 H new ATOM 0 HG23 VAL A 2 0.109 4.839 -0.425 1.00 64.00 H new ATOM 29 N ILE A 3 5.129 5.607 -0.381 1.00 73.44 N ATOM 30 CA ILE A 3 6.435 5.865 0.214 1.00 35.32 C ATOM 31 C ILE A 3 6.589 7.338 0.581 1.00 32.23 C ATOM 32 O ILE A 3 6.331 8.222 -0.236 1.00 21.30 O ATOM 33 CB ILE A 3 7.577 5.462 -0.736 1.00 73.34 C ATOM 34 CG1 ILE A 3 7.422 4.000 -1.164 1.00 12.25 C ATOM 35 CG2 ILE A 3 8.925 5.685 -0.069 1.00 30.23 C ATOM 36 CD1 ILE A 3 8.591 3.481 -1.970 1.00 60.03 C ATOM 0 H ILE A 3 5.027 5.944 -1.338 1.00 73.44 H new ATOM 0 HA ILE A 3 6.496 5.259 1.118 1.00 35.32 H new ATOM 0 HB ILE A 3 7.527 6.089 -1.627 1.00 73.34 H new ATOM 0 HG12 ILE A 3 7.300 3.381 -0.276 1.00 12.25 H new ATOM 0 HG13 ILE A 3 6.510 3.897 -1.753 1.00 12.25 H new ATOM 0 HG21 ILE A 3 9.722 5.395 -0.754 1.00 30.23 H new ATOM 0 HG22 ILE A 3 9.033 6.738 0.189 1.00 30.23 H new ATOM 0 HG23 ILE A 3 8.987 5.081 0.836 1.00 30.23 H new ATOM 0 HD11 ILE A 3 8.414 2.440 -2.239 1.00 60.03 H new ATOM 0 HD12 ILE A 3 8.701 4.076 -2.876 1.00 60.03 H new ATOM 0 HD13 ILE A 3 9.502 3.552 -1.376 1.00 60.03 H new ATOM 48 N ILE A 4 7.013 7.593 1.814 1.00 61.51 N ATOM 49 CA ILE A 4 7.205 8.958 2.289 1.00 43.12 C ATOM 50 C ILE A 4 8.504 9.548 1.751 1.00 12.41 C ATOM 51 O ILE A 4 9.589 9.024 2.003 1.00 71.22 O ATOM 52 CB ILE A 4 7.223 9.022 3.827 1.00 73.35 C ATOM 53 CG1 ILE A 4 5.924 8.447 4.398 1.00 12.43 C ATOM 54 CG2 ILE A 4 7.424 10.456 4.294 1.00 24.25 C ATOM 55 CD1 ILE A 4 6.042 8.009 5.841 1.00 72.35 C ATOM 0 H ILE A 4 7.230 6.872 2.502 1.00 61.51 H new ATOM 0 HA ILE A 4 6.362 9.543 1.920 1.00 43.12 H new ATOM 0 HB ILE A 4 8.056 8.421 4.192 1.00 73.35 H new ATOM 0 HG12 ILE A 4 5.137 9.197 4.317 1.00 12.43 H new ATOM 0 HG13 ILE A 4 5.616 7.595 3.792 1.00 12.43 H new ATOM 0 HG21 ILE A 4 7.435 10.486 5.384 1.00 24.25 H new ATOM 0 HG22 ILE A 4 8.372 10.834 3.911 1.00 24.25 H new ATOM 0 HG23 ILE A 4 6.609 11.077 3.922 1.00 24.25 H new ATOM 0 HD11 ILE A 4 5.085 7.612 6.180 1.00 72.35 H new ATOM 0 HD12 ILE A 4 6.806 7.236 5.925 1.00 72.35 H new ATOM 0 HD13 ILE A 4 6.320 8.863 6.459 1.00 72.35 H new ATOM 67 N LYS A 5 8.387 10.646 1.011 1.00 63.43 N ATOM 68 CA LYS A 5 9.552 11.311 0.439 1.00 73.12 C ATOM 69 C LYS A 5 9.565 12.792 0.805 1.00 64.12 C ATOM 70 O LYS A 5 8.545 13.374 1.174 1.00 44.34 O ATOM 71 CB LYS A 5 9.561 11.151 -1.083 1.00 34.21 C ATOM 72 CG LYS A 5 10.276 9.898 -1.558 1.00 11.21 C ATOM 73 CD LYS A 5 9.423 9.106 -2.535 1.00 3.32 C ATOM 74 CE LYS A 5 10.061 7.768 -2.874 1.00 50.04 C ATOM 75 NZ LYS A 5 9.735 7.333 -4.261 1.00 3.34 N ATOM 0 H LYS A 5 7.497 11.094 0.793 1.00 63.43 H new ATOM 0 HA LYS A 5 10.446 10.844 0.852 1.00 73.12 H new ATOM 0 HB2 LYS A 5 8.533 11.132 -1.444 1.00 34.21 H new ATOM 0 HB3 LYS A 5 10.039 12.023 -1.529 1.00 34.21 H new ATOM 0 HG2 LYS A 5 11.217 10.173 -2.035 1.00 11.21 H new ATOM 0 HG3 LYS A 5 10.525 9.273 -0.701 1.00 11.21 H new ATOM 0 HD2 LYS A 5 8.435 8.941 -2.106 1.00 3.32 H new ATOM 0 HD3 LYS A 5 9.281 9.684 -3.448 1.00 3.32 H new ATOM 0 HE2 LYS A 5 11.143 7.843 -2.762 1.00 50.04 H new ATOM 0 HE3 LYS A 5 9.718 7.013 -2.167 1.00 50.04 H new ATOM 0 HZ1 LYS A 5 10.188 6.417 -4.453 1.00 3.34 H new ATOM 0 HZ2 LYS A 5 8.704 7.237 -4.361 1.00 3.34 H new ATOM 0 HZ3 LYS A 5 10.084 8.041 -4.938 1.00 3.34 H new ATOM 89 N PRO A 6 10.748 13.417 0.700 1.00 32.33 N ATOM 90 CA PRO A 6 10.922 14.838 1.014 1.00 62.11 C ATOM 91 C PRO A 6 10.242 15.745 -0.005 1.00 71.03 C ATOM 92 O PRO A 6 9.956 16.907 0.278 1.00 75.40 O ATOM 93 CB PRO A 6 12.440 15.028 0.969 1.00 3.11 C ATOM 94 CG PRO A 6 12.930 13.952 0.062 1.00 55.15 C ATOM 95 CD PRO A 6 12.005 12.785 0.268 1.00 44.14 C ATOM 0 HA PRO A 6 10.474 15.101 1.972 1.00 62.11 H new ATOM 0 HB2 PRO A 6 12.704 16.015 0.591 1.00 3.11 H new ATOM 0 HB3 PRO A 6 12.880 14.939 1.962 1.00 3.11 H new ATOM 0 HG2 PRO A 6 12.917 14.281 -0.977 1.00 55.15 H new ATOM 0 HG3 PRO A 6 13.959 13.681 0.298 1.00 55.15 H new ATOM 0 HD2 PRO A 6 11.872 12.211 -0.649 1.00 44.14 H new ATOM 0 HD3 PRO A 6 12.388 12.097 1.021 1.00 44.14 H new ATOM 103 N GLN A 7 9.986 15.205 -1.193 1.00 24.52 N ATOM 104 CA GLN A 7 9.338 15.966 -2.254 1.00 43.43 C ATOM 105 C GLN A 7 10.336 16.889 -2.948 1.00 22.32 C ATOM 106 O GLN A 7 10.226 17.151 -4.145 1.00 42.33 O ATOM 107 CB GLN A 7 8.177 16.785 -1.689 1.00 11.00 C ATOM 108 CG GLN A 7 8.473 18.273 -1.591 1.00 35.03 C ATOM 109 CD GLN A 7 7.477 19.009 -0.715 1.00 42.10 C ATOM 110 OE1 GLN A 7 7.146 18.559 0.383 1.00 44.12 O ATOM 111 NE2 GLN A 7 6.993 20.148 -1.196 1.00 62.01 N ATOM 0 H GLN A 7 10.218 14.244 -1.444 1.00 24.52 H new ATOM 0 HA GLN A 7 8.951 15.260 -2.988 1.00 43.43 H new ATOM 0 HB2 GLN A 7 7.299 16.638 -2.319 1.00 11.00 H new ATOM 0 HB3 GLN A 7 7.925 16.407 -0.698 1.00 11.00 H new ATOM 0 HG2 GLN A 7 9.477 18.414 -1.191 1.00 35.03 H new ATOM 0 HG3 GLN A 7 8.464 18.708 -2.590 1.00 35.03 H new ATOM 0 HE21 GLN A 7 7.294 20.484 -2.111 1.00 62.01 H new ATOM 0 HE22 GLN A 7 6.320 20.687 -0.651 1.00 62.01 H new ATOM 120 N VAL A 8 11.309 17.379 -2.187 1.00 64.22 N ATOM 121 CA VAL A 8 12.327 18.272 -2.728 1.00 1.12 C ATOM 122 C VAL A 8 13.720 17.867 -2.258 1.00 71.42 C ATOM 123 O VAL A 8 13.874 16.926 -1.480 1.00 45.02 O ATOM 124 CB VAL A 8 12.065 19.734 -2.321 1.00 34.50 C ATOM 125 CG1 VAL A 8 10.729 20.210 -2.873 1.00 1.20 C ATOM 126 CG2 VAL A 8 12.110 19.881 -0.807 1.00 55.05 C ATOM 0 H VAL A 8 11.414 17.173 -1.194 1.00 64.22 H new ATOM 0 HA VAL A 8 12.275 18.190 -3.814 1.00 1.12 H new ATOM 0 HB VAL A 8 12.850 20.359 -2.747 1.00 34.50 H new ATOM 0 HG11 VAL A 8 10.560 21.245 -2.576 1.00 1.20 H new ATOM 0 HG12 VAL A 8 10.740 20.142 -3.961 1.00 1.20 H new ATOM 0 HG13 VAL A 8 9.929 19.584 -2.478 1.00 1.20 H new ATOM 0 HG21 VAL A 8 11.923 20.920 -0.537 1.00 55.05 H new ATOM 0 HG22 VAL A 8 11.347 19.246 -0.357 1.00 55.05 H new ATOM 0 HG23 VAL A 8 13.092 19.582 -0.441 1.00 55.05 H new ATOM 136 N SER A 9 14.732 18.585 -2.735 1.00 74.01 N ATOM 137 CA SER A 9 16.113 18.299 -2.366 1.00 33.11 C ATOM 138 C SER A 9 16.566 19.197 -1.219 1.00 43.24 C ATOM 139 O SER A 9 16.481 20.421 -1.304 1.00 4.14 O ATOM 140 CB SER A 9 17.035 18.489 -3.572 1.00 51.31 C ATOM 141 OG SER A 9 16.301 18.890 -4.717 1.00 4.20 O ATOM 0 H SER A 9 14.621 19.369 -3.378 1.00 74.01 H new ATOM 0 HA SER A 9 16.167 17.262 -2.036 1.00 33.11 H new ATOM 0 HB2 SER A 9 17.792 19.238 -3.341 1.00 51.31 H new ATOM 0 HB3 SER A 9 17.562 17.558 -3.781 1.00 51.31 H new ATOM 0 HG SER A 9 16.913 19.006 -5.474 1.00 4.20 H new ATOM 147 N GLY A 10 17.047 18.577 -0.146 1.00 33.11 N ATOM 148 CA GLY A 10 17.507 19.334 1.004 1.00 74.51 C ATOM 149 C GLY A 10 18.296 18.484 1.980 1.00 72.11 C ATOM 150 O GLY A 10 19.068 17.616 1.575 1.00 44.33 O ATOM 0 H GLY A 10 17.126 17.564 -0.052 1.00 33.11 H new ATOM 0 HA2 GLY A 10 18.128 20.163 0.665 1.00 74.51 H new ATOM 0 HA3 GLY A 10 16.648 19.768 1.517 1.00 74.51 H new ATOM 154 N VAL A 11 18.103 18.734 3.271 1.00 3.42 N ATOM 155 CA VAL A 11 18.804 17.986 4.308 1.00 61.02 C ATOM 156 C VAL A 11 17.896 17.723 5.504 1.00 52.00 C ATOM 157 O VAL A 11 17.231 18.631 6.003 1.00 12.34 O ATOM 158 CB VAL A 11 20.062 18.734 4.787 1.00 23.00 C ATOM 159 CG1 VAL A 11 20.820 17.904 5.813 1.00 74.31 C ATOM 160 CG2 VAL A 11 20.955 19.083 3.607 1.00 41.22 C ATOM 0 H VAL A 11 17.467 19.449 3.624 1.00 3.42 H new ATOM 0 HA VAL A 11 19.102 17.036 3.866 1.00 61.02 H new ATOM 0 HB VAL A 11 19.751 19.663 5.265 1.00 23.00 H new ATOM 0 HG11 VAL A 11 21.706 18.449 6.139 1.00 74.31 H new ATOM 0 HG12 VAL A 11 20.177 17.710 6.671 1.00 74.31 H new ATOM 0 HG13 VAL A 11 21.122 16.958 5.364 1.00 74.31 H new ATOM 0 HG21 VAL A 11 21.839 19.611 3.964 1.00 41.22 H new ATOM 0 HG22 VAL A 11 21.259 18.168 3.098 1.00 41.22 H new ATOM 0 HG23 VAL A 11 20.408 19.720 2.912 1.00 41.22 H new ATOM 170 N ILE A 12 17.874 16.475 5.960 1.00 52.21 N ATOM 171 CA ILE A 12 17.048 16.093 7.099 1.00 24.01 C ATOM 172 C ILE A 12 17.388 16.928 8.329 1.00 2.12 C ATOM 173 O ILE A 12 18.559 17.140 8.645 1.00 70.43 O ATOM 174 CB ILE A 12 17.219 14.602 7.442 1.00 64.43 C ATOM 175 CG1 ILE A 12 16.769 13.731 6.267 1.00 64.24 C ATOM 176 CG2 ILE A 12 16.433 14.253 8.697 1.00 33.44 C ATOM 177 CD1 ILE A 12 15.267 13.686 6.088 1.00 44.52 C ATOM 0 H ILE A 12 18.418 15.712 5.558 1.00 52.21 H new ATOM 0 HA ILE A 12 16.012 16.276 6.814 1.00 24.01 H new ATOM 0 HB ILE A 12 18.275 14.407 7.632 1.00 64.43 H new ATOM 0 HG12 ILE A 12 17.225 14.107 5.351 1.00 64.24 H new ATOM 0 HG13 ILE A 12 17.140 12.717 6.414 1.00 64.24 H new ATOM 0 HG21 ILE A 12 16.564 13.195 8.926 1.00 33.44 H new ATOM 0 HG22 ILE A 12 16.795 14.853 9.532 1.00 33.44 H new ATOM 0 HG23 ILE A 12 15.375 14.460 8.533 1.00 33.44 H new ATOM 0 HD11 ILE A 12 15.021 13.051 5.237 1.00 44.52 H new ATOM 0 HD12 ILE A 12 14.805 13.282 6.989 1.00 44.52 H new ATOM 0 HD13 ILE A 12 14.892 14.694 5.909 1.00 44.52 H new ATOM 189 N VAL A 13 16.355 17.399 9.021 1.00 45.32 N ATOM 190 CA VAL A 13 16.545 18.209 10.219 1.00 53.14 C ATOM 191 C VAL A 13 16.090 17.459 11.466 1.00 60.21 C ATOM 192 O VAL A 13 16.725 17.541 12.517 1.00 34.41 O ATOM 193 CB VAL A 13 15.774 19.539 10.124 1.00 44.02 C ATOM 194 CG1 VAL A 13 16.408 20.589 11.024 1.00 73.51 C ATOM 195 CG2 VAL A 13 15.722 20.022 8.682 1.00 0.42 C ATOM 0 H VAL A 13 15.379 17.234 8.773 1.00 45.32 H new ATOM 0 HA VAL A 13 17.612 18.420 10.294 1.00 53.14 H new ATOM 0 HB VAL A 13 14.752 19.372 10.465 1.00 44.02 H new ATOM 0 HG11 VAL A 13 15.850 21.522 10.944 1.00 73.51 H new ATOM 0 HG12 VAL A 13 16.389 20.242 12.057 1.00 73.51 H new ATOM 0 HG13 VAL A 13 17.440 20.756 10.717 1.00 73.51 H new ATOM 0 HG21 VAL A 13 15.174 20.963 8.633 1.00 0.42 H new ATOM 0 HG22 VAL A 13 16.736 20.173 8.312 1.00 0.42 H new ATOM 0 HG23 VAL A 13 15.219 19.276 8.066 1.00 0.42 H new ATOM 205 N ASN A 14 14.988 16.728 11.341 1.00 32.42 N ATOM 206 CA ASN A 14 14.448 15.962 12.459 1.00 11.23 C ATOM 207 C ASN A 14 13.471 14.898 11.969 1.00 13.55 C ATOM 208 O ASN A 14 13.158 14.827 10.780 1.00 35.14 O ATOM 209 CB ASN A 14 13.749 16.894 13.452 1.00 11.31 C ATOM 210 CG ASN A 14 13.756 16.343 14.865 1.00 73.15 C ATOM 211 OD1 ASN A 14 14.748 15.770 15.315 1.00 2.15 O ATOM 212 ND2 ASN A 14 12.644 16.515 15.572 1.00 24.13 N ATOM 0 H ASN A 14 14.451 16.649 10.477 1.00 32.42 H new ATOM 0 HA ASN A 14 15.278 15.464 12.960 1.00 11.23 H new ATOM 0 HB2 ASN A 14 14.241 17.866 13.442 1.00 11.31 H new ATOM 0 HB3 ASN A 14 12.719 17.054 13.133 1.00 11.31 H new ATOM 0 HD21 ASN A 14 12.589 16.166 16.529 1.00 24.13 H new ATOM 0 HD22 ASN A 14 11.846 16.996 15.158 1.00 24.13 H new ATOM 219 N LYS A 15 12.991 14.073 12.893 1.00 11.42 N ATOM 220 CA LYS A 15 12.048 13.013 12.557 1.00 32.22 C ATOM 221 C LYS A 15 10.967 12.887 13.626 1.00 22.30 C ATOM 222 O LYS A 15 11.240 12.471 14.753 1.00 4.13 O ATOM 223 CB LYS A 15 12.782 11.680 12.398 1.00 21.52 C ATOM 224 CG LYS A 15 13.977 11.531 13.324 1.00 63.10 C ATOM 225 CD LYS A 15 14.609 10.153 13.201 1.00 53.52 C ATOM 226 CE LYS A 15 15.012 9.852 11.765 1.00 34.11 C ATOM 227 NZ LYS A 15 15.733 8.554 11.653 1.00 45.24 N ATOM 0 H LYS A 15 13.240 14.118 13.881 1.00 11.42 H new ATOM 0 HA LYS A 15 11.571 13.272 11.612 1.00 32.22 H new ATOM 0 HB2 LYS A 15 12.083 10.865 12.586 1.00 21.52 H new ATOM 0 HB3 LYS A 15 13.118 11.580 11.366 1.00 21.52 H new ATOM 0 HG2 LYS A 15 14.718 12.295 13.089 1.00 63.10 H new ATOM 0 HG3 LYS A 15 13.663 11.698 14.354 1.00 63.10 H new ATOM 0 HD2 LYS A 15 15.486 10.094 13.846 1.00 53.52 H new ATOM 0 HD3 LYS A 15 13.906 9.396 13.549 1.00 53.52 H new ATOM 0 HE2 LYS A 15 14.123 9.829 11.135 1.00 34.11 H new ATOM 0 HE3 LYS A 15 15.648 10.654 11.390 1.00 34.11 H new ATOM 0 HZ1 LYS A 15 15.991 8.385 10.660 1.00 45.24 H new ATOM 0 HZ2 LYS A 15 16.595 8.584 12.234 1.00 45.24 H new ATOM 0 HZ3 LYS A 15 15.117 7.785 11.987 1.00 45.24 H new ATOM 241 N LEU A 16 9.740 13.246 13.266 1.00 22.15 N ATOM 242 CA LEU A 16 8.618 13.171 14.195 1.00 71.42 C ATOM 243 C LEU A 16 7.778 11.924 13.936 1.00 30.03 C ATOM 244 O LEU A 16 6.553 11.997 13.840 1.00 64.33 O ATOM 245 CB LEU A 16 7.745 14.422 14.074 1.00 53.02 C ATOM 246 CG LEU A 16 8.458 15.695 13.619 1.00 11.24 C ATOM 247 CD1 LEU A 16 7.461 16.831 13.442 1.00 2.12 C ATOM 248 CD2 LEU A 16 9.541 16.085 14.615 1.00 40.44 C ATOM 0 H LEU A 16 9.497 13.592 12.338 1.00 22.15 H new ATOM 0 HA LEU A 16 9.020 13.112 15.207 1.00 71.42 H new ATOM 0 HB2 LEU A 16 6.938 14.211 13.373 1.00 53.02 H new ATOM 0 HB3 LEU A 16 7.284 14.614 15.043 1.00 53.02 H new ATOM 0 HG LEU A 16 8.930 15.499 12.656 1.00 11.24 H new ATOM 0 HD11 LEU A 16 7.987 17.729 13.118 1.00 2.12 H new ATOM 0 HD12 LEU A 16 6.722 16.552 12.691 1.00 2.12 H new ATOM 0 HD13 LEU A 16 6.960 17.026 14.390 1.00 2.12 H new ATOM 0 HD21 LEU A 16 10.038 16.993 14.275 1.00 40.44 H new ATOM 0 HD22 LEU A 16 9.091 16.262 15.592 1.00 40.44 H new ATOM 0 HD23 LEU A 16 10.271 15.279 14.693 1.00 40.44 H new ATOM 260 N PHE A 17 8.445 10.780 13.825 1.00 2.15 N ATOM 261 CA PHE A 17 7.761 9.517 13.578 1.00 24.11 C ATOM 262 C PHE A 17 8.385 8.391 14.398 1.00 13.40 C ATOM 263 O PHE A 17 9.408 8.580 15.057 1.00 71.24 O ATOM 264 CB PHE A 17 7.812 9.168 12.089 1.00 63.20 C ATOM 265 CG PHE A 17 8.925 8.224 11.732 1.00 30.14 C ATOM 266 CD1 PHE A 17 10.245 8.642 11.772 1.00 51.33 C ATOM 267 CD2 PHE A 17 8.651 6.918 11.359 1.00 70.24 C ATOM 268 CE1 PHE A 17 11.270 7.777 11.443 1.00 25.24 C ATOM 269 CE2 PHE A 17 9.672 6.048 11.029 1.00 71.45 C ATOM 270 CZ PHE A 17 10.985 6.477 11.072 1.00 34.52 C ATOM 0 H PHE A 17 9.459 10.702 13.902 1.00 2.15 H new ATOM 0 HA PHE A 17 6.720 9.630 13.882 1.00 24.11 H new ATOM 0 HB2 PHE A 17 6.861 8.723 11.795 1.00 63.20 H new ATOM 0 HB3 PHE A 17 7.926 10.086 11.513 1.00 63.20 H new ATOM 0 HD1 PHE A 17 10.475 9.656 12.064 1.00 51.33 H new ATOM 0 HD2 PHE A 17 7.627 6.576 11.326 1.00 70.24 H new ATOM 0 HE1 PHE A 17 12.295 8.117 11.476 1.00 25.24 H new ATOM 0 HE2 PHE A 17 9.444 5.033 10.738 1.00 71.45 H new ATOM 0 HZ PHE A 17 11.785 5.798 10.817 1.00 34.52 H new ATOM 280 N LYS A 18 7.762 7.219 14.353 1.00 75.14 N ATOM 281 CA LYS A 18 8.253 6.061 15.089 1.00 5.13 C ATOM 282 C LYS A 18 8.361 4.842 14.179 1.00 73.31 C ATOM 283 O LYS A 18 7.748 4.797 13.112 1.00 70.34 O ATOM 284 CB LYS A 18 7.329 5.750 16.269 1.00 34.10 C ATOM 285 CG LYS A 18 7.619 6.584 17.505 1.00 50.00 C ATOM 286 CD LYS A 18 8.405 5.793 18.538 1.00 14.34 C ATOM 287 CE LYS A 18 8.469 6.526 19.870 1.00 41.10 C ATOM 288 NZ LYS A 18 9.495 7.606 19.860 1.00 35.24 N ATOM 0 H LYS A 18 6.914 7.046 13.813 1.00 75.14 H new ATOM 0 HA LYS A 18 9.247 6.299 15.467 1.00 5.13 H new ATOM 0 HB2 LYS A 18 6.296 5.915 15.964 1.00 34.10 H new ATOM 0 HB3 LYS A 18 7.421 4.694 16.524 1.00 34.10 H new ATOM 0 HG2 LYS A 18 8.181 7.474 17.221 1.00 50.00 H new ATOM 0 HG3 LYS A 18 6.681 6.926 17.943 1.00 50.00 H new ATOM 0 HD2 LYS A 18 7.941 4.817 18.680 1.00 14.34 H new ATOM 0 HD3 LYS A 18 9.416 5.615 18.170 1.00 14.34 H new ATOM 0 HE2 LYS A 18 7.493 6.955 20.096 1.00 41.10 H new ATOM 0 HE3 LYS A 18 8.697 5.816 20.665 1.00 41.10 H new ATOM 0 HZ1 LYS A 18 9.508 8.081 20.785 1.00 35.24 H new ATOM 0 HZ2 LYS A 18 10.431 7.194 19.670 1.00 35.24 H new ATOM 0 HZ3 LYS A 18 9.264 8.298 19.118 1.00 35.24 H new ATOM 302 N ALA A 19 9.140 3.855 14.607 1.00 0.14 N ATOM 303 CA ALA A 19 9.323 2.635 13.833 1.00 65.33 C ATOM 304 C ALA A 19 8.241 1.610 14.157 1.00 53.12 C ATOM 305 O ALA A 19 8.254 0.995 15.222 1.00 63.11 O ATOM 306 CB ALA A 19 10.703 2.046 14.091 1.00 14.41 C ATOM 0 H ALA A 19 9.655 3.877 15.487 1.00 0.14 H new ATOM 0 HA ALA A 19 9.240 2.891 12.777 1.00 65.33 H new ATOM 0 HB1 ALA A 19 10.825 1.135 13.506 1.00 14.41 H new ATOM 0 HB2 ALA A 19 11.467 2.768 13.802 1.00 14.41 H new ATOM 0 HB3 ALA A 19 10.807 1.813 15.151 1.00 14.41 H new ATOM 312 N GLY A 20 7.304 1.433 13.230 1.00 64.30 N ATOM 313 CA GLY A 20 6.227 0.482 13.438 1.00 50.35 C ATOM 314 C GLY A 20 5.018 1.111 14.102 1.00 51.12 C ATOM 315 O GLY A 20 4.207 0.418 14.716 1.00 3.12 O ATOM 0 H GLY A 20 7.271 1.930 12.340 1.00 64.30 H new ATOM 0 HA2 GLY A 20 5.931 0.058 12.479 1.00 50.35 H new ATOM 0 HA3 GLY A 20 6.588 -0.342 14.053 1.00 50.35 H new ATOM 319 N ASP A 21 4.898 2.429 13.980 1.00 33.44 N ATOM 320 CA ASP A 21 3.780 3.152 14.574 1.00 12.22 C ATOM 321 C ASP A 21 2.700 3.433 13.534 1.00 34.41 C ATOM 322 O ASP A 21 2.843 3.078 12.364 1.00 13.51 O ATOM 323 CB ASP A 21 4.264 4.465 15.191 1.00 0.31 C ATOM 324 CG ASP A 21 4.228 4.441 16.707 1.00 74.31 C ATOM 325 OD1 ASP A 21 4.926 3.595 17.303 1.00 55.51 O ATOM 326 OD2 ASP A 21 3.499 5.267 17.296 1.00 45.34 O ATOM 0 H ASP A 21 5.561 3.018 13.475 1.00 33.44 H new ATOM 0 HA ASP A 21 3.351 2.527 15.358 1.00 12.22 H new ATOM 0 HB2 ASP A 21 5.282 4.666 14.858 1.00 0.31 H new ATOM 0 HB3 ASP A 21 3.643 5.284 14.829 1.00 0.31 H new ATOM 331 N LYS A 22 1.617 4.070 13.969 1.00 25.50 N ATOM 332 CA LYS A 22 0.512 4.398 13.076 1.00 1.40 C ATOM 333 C LYS A 22 0.716 5.770 12.441 1.00 50.22 C ATOM 334 O LYS A 22 1.291 6.669 13.052 1.00 1.44 O ATOM 335 CB LYS A 22 -0.813 4.370 13.841 1.00 74.41 C ATOM 336 CG LYS A 22 -1.643 3.126 13.574 1.00 20.13 C ATOM 337 CD LYS A 22 -3.101 3.473 13.320 1.00 24.31 C ATOM 338 CE LYS A 22 -3.730 2.525 12.310 1.00 74.14 C ATOM 339 NZ LYS A 22 -5.131 2.911 11.986 1.00 14.13 N ATOM 0 H LYS A 22 1.482 4.369 14.935 1.00 25.50 H new ATOM 0 HA LYS A 22 0.483 3.651 12.283 1.00 1.40 H new ATOM 0 HB2 LYS A 22 -0.608 4.437 14.909 1.00 74.41 H new ATOM 0 HB3 LYS A 22 -1.397 5.251 13.573 1.00 74.41 H new ATOM 0 HG2 LYS A 22 -1.239 2.596 12.712 1.00 20.13 H new ATOM 0 HG3 LYS A 22 -1.572 2.450 14.426 1.00 20.13 H new ATOM 0 HD2 LYS A 22 -3.656 3.429 14.257 1.00 24.31 H new ATOM 0 HD3 LYS A 22 -3.174 4.497 12.954 1.00 24.31 H new ATOM 0 HE2 LYS A 22 -3.134 2.519 11.397 1.00 74.14 H new ATOM 0 HE3 LYS A 22 -3.715 1.510 12.706 1.00 74.14 H new ATOM 0 HZ1 LYS A 22 -5.525 2.241 11.295 1.00 14.13 H new ATOM 0 HZ2 LYS A 22 -5.706 2.892 12.853 1.00 14.13 H new ATOM 0 HZ3 LYS A 22 -5.143 3.870 11.584 1.00 14.13 H new ATOM 353 N VAL A 23 0.238 5.923 11.209 1.00 11.14 N ATOM 354 CA VAL A 23 0.365 7.186 10.492 1.00 53.03 C ATOM 355 C VAL A 23 -1.003 7.749 10.123 1.00 71.43 C ATOM 356 O VAL A 23 -1.958 7.001 9.913 1.00 74.24 O ATOM 357 CB VAL A 23 1.203 7.021 9.210 1.00 21.11 C ATOM 358 CG1 VAL A 23 1.051 8.240 8.313 1.00 64.45 C ATOM 359 CG2 VAL A 23 2.665 6.783 9.556 1.00 22.42 C ATOM 0 H VAL A 23 -0.240 5.188 10.688 1.00 11.14 H new ATOM 0 HA VAL A 23 0.871 7.881 11.162 1.00 53.03 H new ATOM 0 HB VAL A 23 0.836 6.151 8.666 1.00 21.11 H new ATOM 0 HG11 VAL A 23 1.650 8.106 7.412 1.00 64.45 H new ATOM 0 HG12 VAL A 23 0.003 8.361 8.038 1.00 64.45 H new ATOM 0 HG13 VAL A 23 1.391 9.128 8.846 1.00 64.45 H new ATOM 0 HG21 VAL A 23 3.242 6.669 8.638 1.00 22.42 H new ATOM 0 HG22 VAL A 23 3.048 7.632 10.122 1.00 22.42 H new ATOM 0 HG23 VAL A 23 2.754 5.877 10.156 1.00 22.42 H new ATOM 369 N LYS A 24 -1.091 9.072 10.046 1.00 42.20 N ATOM 370 CA LYS A 24 -2.341 9.738 9.701 1.00 73.34 C ATOM 371 C LYS A 24 -2.287 10.298 8.283 1.00 2.22 C ATOM 372 O LYS A 24 -1.320 10.075 7.553 1.00 72.23 O ATOM 373 CB LYS A 24 -2.636 10.863 10.695 1.00 61.13 C ATOM 374 CG LYS A 24 -3.832 10.588 11.589 1.00 44.12 C ATOM 375 CD LYS A 24 -5.002 11.498 11.252 1.00 2.11 C ATOM 376 CE LYS A 24 -6.015 10.795 10.362 1.00 52.42 C ATOM 377 NZ LYS A 24 -6.789 9.766 11.109 1.00 32.54 N ATOM 0 H LYS A 24 -0.310 9.705 10.218 1.00 42.20 H new ATOM 0 HA LYS A 24 -3.141 9.000 9.750 1.00 73.34 H new ATOM 0 HB2 LYS A 24 -1.757 11.025 11.319 1.00 61.13 H new ATOM 0 HB3 LYS A 24 -2.810 11.787 10.144 1.00 61.13 H new ATOM 0 HG2 LYS A 24 -4.137 9.547 11.481 1.00 44.12 H new ATOM 0 HG3 LYS A 24 -3.548 10.730 12.632 1.00 44.12 H new ATOM 0 HD2 LYS A 24 -5.488 11.824 12.172 1.00 2.11 H new ATOM 0 HD3 LYS A 24 -4.635 12.394 10.751 1.00 2.11 H new ATOM 0 HE2 LYS A 24 -6.701 11.530 9.941 1.00 52.42 H new ATOM 0 HE3 LYS A 24 -5.499 10.325 9.525 1.00 52.42 H new ATOM 0 HZ1 LYS A 24 -7.635 9.504 10.563 1.00 32.54 H new ATOM 0 HZ2 LYS A 24 -6.196 8.924 11.255 1.00 32.54 H new ATOM 0 HZ3 LYS A 24 -7.078 10.150 12.031 1.00 32.54 H new ATOM 391 N LYS A 25 -3.328 11.029 7.900 1.00 3.14 N ATOM 392 CA LYS A 25 -3.397 11.625 6.571 1.00 32.22 C ATOM 393 C LYS A 25 -2.864 13.054 6.586 1.00 33.43 C ATOM 394 O LYS A 25 -3.630 14.010 6.692 1.00 15.11 O ATOM 395 CB LYS A 25 -4.840 11.612 6.059 1.00 0.42 C ATOM 396 CG LYS A 25 -5.297 10.251 5.563 1.00 54.43 C ATOM 397 CD LYS A 25 -6.785 10.241 5.258 1.00 74.51 C ATOM 398 CE LYS A 25 -7.177 9.023 4.435 1.00 64.15 C ATOM 399 NZ LYS A 25 -8.324 8.290 5.039 1.00 42.43 N ATOM 0 H LYS A 25 -4.136 11.223 8.491 1.00 3.14 H new ATOM 0 HA LYS A 25 -2.774 11.032 5.901 1.00 32.22 H new ATOM 0 HB2 LYS A 25 -5.504 11.939 6.859 1.00 0.42 H new ATOM 0 HB3 LYS A 25 -4.936 12.335 5.249 1.00 0.42 H new ATOM 0 HG2 LYS A 25 -4.739 9.983 4.666 1.00 54.43 H new ATOM 0 HG3 LYS A 25 -5.074 9.494 6.315 1.00 54.43 H new ATOM 0 HD2 LYS A 25 -7.349 10.248 6.191 1.00 74.51 H new ATOM 0 HD3 LYS A 25 -7.053 11.149 4.717 1.00 74.51 H new ATOM 0 HE2 LYS A 25 -7.438 9.337 3.424 1.00 64.15 H new ATOM 0 HE3 LYS A 25 -6.322 8.352 4.350 1.00 64.15 H new ATOM 0 HZ1 LYS A 25 -8.744 7.657 4.329 1.00 42.43 H new ATOM 0 HZ2 LYS A 25 -7.990 7.729 5.849 1.00 42.43 H new ATOM 0 HZ3 LYS A 25 -9.040 8.971 5.362 1.00 42.43 H new ATOM 413 N GLY A 26 -1.546 13.191 6.480 1.00 60.53 N ATOM 414 CA GLY A 26 -0.934 14.507 6.483 1.00 72.01 C ATOM 415 C GLY A 26 -0.255 14.828 7.800 1.00 71.44 C ATOM 416 O GLY A 26 0.044 15.986 8.084 1.00 55.41 O ATOM 0 H GLY A 26 -0.891 12.414 6.392 1.00 60.53 H new ATOM 0 HA2 GLY A 26 -0.203 14.566 5.677 1.00 72.01 H new ATOM 0 HA3 GLY A 26 -1.696 15.259 6.278 1.00 72.01 H new ATOM 420 N GLN A 27 -0.014 13.799 8.605 1.00 23.41 N ATOM 421 CA GLN A 27 0.632 13.978 9.901 1.00 54.04 C ATOM 422 C GLN A 27 2.143 14.109 9.742 1.00 42.02 C ATOM 423 O GLN A 27 2.764 13.369 8.979 1.00 44.52 O ATOM 424 CB GLN A 27 0.304 12.804 10.825 1.00 52.01 C ATOM 425 CG GLN A 27 0.424 13.141 12.303 1.00 51.45 C ATOM 426 CD GLN A 27 1.688 12.584 12.926 1.00 23.32 C ATOM 427 OE1 GLN A 27 2.547 13.334 13.393 1.00 75.31 O ATOM 428 NE2 GLN A 27 1.811 11.262 12.938 1.00 54.24 N ATOM 0 H GLN A 27 -0.256 12.833 8.384 1.00 23.41 H new ATOM 0 HA GLN A 27 0.251 14.897 10.345 1.00 54.04 H new ATOM 0 HB2 GLN A 27 -0.711 12.463 10.620 1.00 52.01 H new ATOM 0 HB3 GLN A 27 0.972 11.974 10.595 1.00 52.01 H new ATOM 0 HG2 GLN A 27 0.408 14.224 12.428 1.00 51.45 H new ATOM 0 HG3 GLN A 27 -0.443 12.747 12.834 1.00 51.45 H new ATOM 0 HE21 GLN A 27 1.076 10.678 12.540 1.00 54.24 H new ATOM 0 HE22 GLN A 27 2.641 10.831 13.345 1.00 54.24 H new ATOM 437 N THR A 28 2.729 15.055 10.468 1.00 3.41 N ATOM 438 CA THR A 28 4.168 15.285 10.406 1.00 33.20 C ATOM 439 C THR A 28 4.940 14.042 10.832 1.00 44.31 C ATOM 440 O THR A 28 4.649 13.440 11.867 1.00 74.25 O ATOM 441 CB THR A 28 4.586 16.468 11.301 1.00 64.15 C ATOM 442 OG1 THR A 28 3.503 17.394 11.426 1.00 33.11 O ATOM 443 CG2 THR A 28 5.803 17.176 10.724 1.00 15.14 C ATOM 0 H THR A 28 2.230 15.675 11.106 1.00 3.41 H new ATOM 0 HA THR A 28 4.408 15.521 9.369 1.00 33.20 H new ATOM 0 HB THR A 28 4.844 16.079 12.286 1.00 64.15 H new ATOM 0 HG1 THR A 28 3.776 18.142 11.998 1.00 33.11 H new ATOM 0 HG21 THR A 28 6.081 18.008 11.371 1.00 15.14 H new ATOM 0 HG22 THR A 28 6.634 16.474 10.657 1.00 15.14 H new ATOM 0 HG23 THR A 28 5.566 17.554 9.729 1.00 15.14 H new ATOM 451 N LEU A 29 5.929 13.663 10.029 1.00 23.54 N ATOM 452 CA LEU A 29 6.746 12.490 10.324 1.00 72.43 C ATOM 453 C LEU A 29 8.231 12.824 10.231 1.00 10.34 C ATOM 454 O LEU A 29 9.059 12.217 10.911 1.00 32.35 O ATOM 455 CB LEU A 29 6.407 11.352 9.359 1.00 70.00 C ATOM 456 CG LEU A 29 4.950 10.889 9.354 1.00 13.12 C ATOM 457 CD1 LEU A 29 4.614 10.199 8.041 1.00 42.11 C ATOM 458 CD2 LEU A 29 4.680 9.962 10.530 1.00 23.13 C ATOM 0 H LEU A 29 6.184 14.150 9.170 1.00 23.54 H new ATOM 0 HA LEU A 29 6.526 12.172 11.343 1.00 72.43 H new ATOM 0 HB2 LEU A 29 6.671 11.668 8.350 1.00 70.00 H new ATOM 0 HB3 LEU A 29 7.038 10.497 9.601 1.00 70.00 H new ATOM 0 HG LEU A 29 4.310 11.766 9.455 1.00 13.12 H new ATOM 0 HD11 LEU A 29 3.573 9.876 8.056 1.00 42.11 H new ATOM 0 HD12 LEU A 29 4.767 10.894 7.215 1.00 42.11 H new ATOM 0 HD13 LEU A 29 5.261 9.332 7.910 1.00 42.11 H new ATOM 0 HD21 LEU A 29 3.638 9.643 10.510 1.00 23.13 H new ATOM 0 HD22 LEU A 29 5.329 9.089 10.461 1.00 23.13 H new ATOM 0 HD23 LEU A 29 4.880 10.490 11.463 1.00 23.13 H new ATOM 470 N PHE A 30 8.562 13.796 9.387 1.00 51.11 N ATOM 471 CA PHE A 30 9.948 14.212 9.206 1.00 22.05 C ATOM 472 C PHE A 30 10.034 15.711 8.929 1.00 24.43 C ATOM 473 O PHE A 30 9.014 16.386 8.787 1.00 63.52 O ATOM 474 CB PHE A 30 10.592 13.432 8.058 1.00 0.34 C ATOM 475 CG PHE A 30 10.595 11.946 8.271 1.00 21.31 C ATOM 476 CD1 PHE A 30 9.482 11.184 7.953 1.00 53.25 C ATOM 477 CD2 PHE A 30 11.711 11.310 8.790 1.00 22.54 C ATOM 478 CE1 PHE A 30 9.481 9.816 8.147 1.00 42.24 C ATOM 479 CE2 PHE A 30 11.716 9.941 8.987 1.00 41.14 C ATOM 480 CZ PHE A 30 10.600 9.194 8.666 1.00 72.12 C ATOM 0 H PHE A 30 7.890 14.310 8.818 1.00 51.11 H new ATOM 0 HA PHE A 30 10.488 13.999 10.128 1.00 22.05 H new ATOM 0 HB2 PHE A 30 10.061 13.657 7.133 1.00 0.34 H new ATOM 0 HB3 PHE A 30 11.619 13.774 7.928 1.00 0.34 H new ATOM 0 HD1 PHE A 30 8.604 11.666 7.548 1.00 53.25 H new ATOM 0 HD2 PHE A 30 12.586 11.889 9.043 1.00 22.54 H new ATOM 0 HE1 PHE A 30 8.607 9.234 7.893 1.00 42.24 H new ATOM 0 HE2 PHE A 30 12.592 9.457 9.392 1.00 41.14 H new ATOM 0 HZ PHE A 30 10.602 8.125 8.820 1.00 72.12 H new ATOM 490 N ILE A 31 11.258 16.223 8.856 1.00 33.43 N ATOM 491 CA ILE A 31 11.477 17.641 8.596 1.00 1.05 C ATOM 492 C ILE A 31 12.766 17.863 7.812 1.00 65.44 C ATOM 493 O ILE A 31 13.826 17.359 8.186 1.00 54.03 O ATOM 494 CB ILE A 31 11.540 18.450 9.905 1.00 74.04 C ATOM 495 CG1 ILE A 31 10.350 18.103 10.802 1.00 1.22 C ATOM 496 CG2 ILE A 31 11.566 19.941 9.605 1.00 45.34 C ATOM 497 CD1 ILE A 31 10.304 18.907 12.082 1.00 11.24 C ATOM 0 H ILE A 31 12.112 15.678 8.973 1.00 33.43 H new ATOM 0 HA ILE A 31 10.630 17.988 8.004 1.00 1.05 H new ATOM 0 HB ILE A 31 12.457 18.189 10.433 1.00 74.04 H new ATOM 0 HG12 ILE A 31 9.427 18.267 10.246 1.00 1.22 H new ATOM 0 HG13 ILE A 31 10.389 17.042 11.050 1.00 1.22 H new ATOM 0 HG21 ILE A 31 11.611 20.500 10.540 1.00 45.34 H new ATOM 0 HG22 ILE A 31 12.442 20.175 9.000 1.00 45.34 H new ATOM 0 HG23 ILE A 31 10.664 20.218 9.059 1.00 45.34 H new ATOM 0 HD11 ILE A 31 9.435 18.608 12.668 1.00 11.24 H new ATOM 0 HD12 ILE A 31 11.211 18.725 12.659 1.00 11.24 H new ATOM 0 HD13 ILE A 31 10.233 19.968 11.843 1.00 11.24 H new ATOM 509 N ILE A 32 12.668 18.620 6.725 1.00 15.42 N ATOM 510 CA ILE A 32 13.826 18.912 5.891 1.00 40.33 C ATOM 511 C ILE A 32 13.816 20.363 5.423 1.00 32.21 C ATOM 512 O ILE A 32 12.758 20.933 5.159 1.00 0.34 O ATOM 513 CB ILE A 32 13.880 17.988 4.659 1.00 34.11 C ATOM 514 CG1 ILE A 32 14.132 16.542 5.090 1.00 72.13 C ATOM 515 CG2 ILE A 32 14.959 18.455 3.693 1.00 25.34 C ATOM 516 CD1 ILE A 32 13.423 15.522 4.226 1.00 2.04 C ATOM 0 H ILE A 32 11.798 19.042 6.401 1.00 15.42 H new ATOM 0 HA ILE A 32 14.709 18.737 6.506 1.00 40.33 H new ATOM 0 HB ILE A 32 12.919 18.032 4.147 1.00 34.11 H new ATOM 0 HG12 ILE A 32 15.204 16.345 5.065 1.00 72.13 H new ATOM 0 HG13 ILE A 32 13.809 16.418 6.124 1.00 72.13 H new ATOM 0 HG21 ILE A 32 14.985 17.792 2.828 1.00 25.34 H new ATOM 0 HG22 ILE A 32 14.739 19.471 3.365 1.00 25.34 H new ATOM 0 HG23 ILE A 32 15.927 18.437 4.193 1.00 25.34 H new ATOM 0 HD11 ILE A 32 13.647 14.519 4.589 1.00 2.04 H new ATOM 0 HD12 ILE A 32 12.347 15.692 4.270 1.00 2.04 H new ATOM 0 HD13 ILE A 32 13.764 15.619 3.195 1.00 2.04 H new ATOM 528 N GLU A 33 15.002 20.955 5.320 1.00 20.24 N ATOM 529 CA GLU A 33 15.129 22.340 4.883 1.00 4.10 C ATOM 530 C GLU A 33 15.782 22.418 3.506 1.00 45.10 C ATOM 531 O GLU A 33 16.588 21.563 3.141 1.00 4.32 O ATOM 532 CB GLU A 33 15.949 23.144 5.894 1.00 70.10 C ATOM 533 CG GLU A 33 17.437 23.171 5.588 1.00 32.13 C ATOM 534 CD GLU A 33 18.278 23.474 6.813 1.00 24.10 C ATOM 535 OE1 GLU A 33 17.822 24.263 7.666 1.00 14.21 O ATOM 536 OE2 GLU A 33 19.394 22.923 6.918 1.00 43.34 O ATOM 0 H GLU A 33 15.888 20.497 5.533 1.00 20.24 H new ATOM 0 HA GLU A 33 14.128 22.766 4.817 1.00 4.10 H new ATOM 0 HB2 GLU A 33 15.574 24.167 5.922 1.00 70.10 H new ATOM 0 HB3 GLU A 33 15.799 22.723 6.888 1.00 70.10 H new ATOM 0 HG2 GLU A 33 17.737 22.208 5.175 1.00 32.13 H new ATOM 0 HG3 GLU A 33 17.633 23.921 4.822 1.00 32.13 H new ATOM 543 N GLN A 34 15.427 23.450 2.747 1.00 44.23 N ATOM 544 CA GLN A 34 15.977 23.639 1.410 1.00 4.13 C ATOM 545 C GLN A 34 15.996 25.117 1.033 1.00 22.04 C ATOM 546 O GLN A 34 15.587 25.973 1.818 1.00 70.41 O ATOM 547 CB GLN A 34 15.162 22.850 0.384 1.00 45.14 C ATOM 548 CG GLN A 34 13.729 22.586 0.818 1.00 44.01 C ATOM 549 CD GLN A 34 13.563 21.239 1.494 1.00 5.52 C ATOM 550 OE1 GLN A 34 14.466 20.402 1.465 1.00 30.55 O ATOM 551 NE2 GLN A 34 12.406 21.023 2.107 1.00 34.41 N ATOM 0 H GLN A 34 14.762 24.167 3.035 1.00 44.23 H new ATOM 0 HA GLN A 34 17.002 23.270 1.411 1.00 4.13 H new ATOM 0 HB2 GLN A 34 15.152 23.397 -0.559 1.00 45.14 H new ATOM 0 HB3 GLN A 34 15.657 21.897 0.194 1.00 45.14 H new ATOM 0 HG2 GLN A 34 13.409 23.373 1.501 1.00 44.01 H new ATOM 0 HG3 GLN A 34 13.075 22.635 -0.053 1.00 44.01 H new ATOM 0 HE21 GLN A 34 11.686 21.745 2.106 1.00 34.41 H new ATOM 0 HE22 GLN A 34 12.237 20.135 2.579 1.00 34.41 H new ATOM 560 N ASP A 35 16.475 25.409 -0.171 1.00 20.33 N ATOM 561 CA ASP A 35 16.547 26.784 -0.652 1.00 64.14 C ATOM 562 C ASP A 35 15.306 27.141 -1.465 1.00 3.52 C ATOM 563 O ASP A 35 15.325 28.079 -2.262 1.00 22.11 O ATOM 564 CB ASP A 35 17.803 26.984 -1.501 1.00 3.43 C ATOM 565 CG ASP A 35 18.839 27.847 -0.807 1.00 44.11 C ATOM 566 OD1 ASP A 35 18.847 27.876 0.440 1.00 15.25 O ATOM 567 OD2 ASP A 35 19.643 28.493 -1.513 1.00 20.32 O ATOM 0 H ASP A 35 16.819 24.712 -0.832 1.00 20.33 H new ATOM 0 HA ASP A 35 16.594 27.444 0.214 1.00 64.14 H new ATOM 0 HB2 ASP A 35 18.240 26.013 -1.733 1.00 3.43 H new ATOM 0 HB3 ASP A 35 17.527 27.444 -2.450 1.00 3.43 H new ATOM 572 N GLN A 36 14.232 26.386 -1.257 1.00 50.04 N ATOM 573 CA GLN A 36 12.984 26.623 -1.973 1.00 1.14 C ATOM 574 C GLN A 36 11.784 26.442 -1.049 1.00 31.43 C ATOM 575 O GLN A 36 11.323 25.322 -0.828 1.00 22.05 O ATOM 576 CB GLN A 36 12.869 25.676 -3.169 1.00 24.32 C ATOM 577 CG GLN A 36 11.519 25.735 -3.865 1.00 31.32 C ATOM 578 CD GLN A 36 10.866 24.372 -3.988 1.00 5.02 C ATOM 579 OE1 GLN A 36 10.842 23.625 -2.890 1.00 3.42 O flip ATOM 580 NE2 GLN A 36 10.388 23.994 -5.058 1.00 53.11 N flip ATOM 0 H GLN A 36 14.201 25.607 -0.600 1.00 50.04 H new ATOM 0 HA GLN A 36 12.991 27.652 -2.333 1.00 1.14 H new ATOM 0 HB2 GLN A 36 13.651 25.918 -3.889 1.00 24.32 H new ATOM 0 HB3 GLN A 36 13.050 24.655 -2.832 1.00 24.32 H new ATOM 0 HG2 GLN A 36 10.858 26.402 -3.311 1.00 31.32 H new ATOM 0 HG3 GLN A 36 11.645 26.164 -4.859 1.00 31.32 H new ATOM 0 HE21 GLN A 36 10.428 24.600 -5.877 1.00 53.11 H new ATOM 0 HE22 GLN A 36 9.952 23.074 -5.125 1.00 53.11 H new ATOM 589 N ALA A 37 11.284 27.550 -0.513 1.00 32.53 N ATOM 590 CA ALA A 37 10.137 27.512 0.386 1.00 40.42 C ATOM 591 C ALA A 37 8.859 27.926 -0.337 1.00 40.10 C ATOM 592 O ALA A 37 7.782 27.395 -0.067 1.00 22.05 O ATOM 593 CB ALA A 37 10.379 28.412 1.589 1.00 23.00 C ATOM 0 H ALA A 37 11.655 28.485 -0.685 1.00 32.53 H new ATOM 0 HA ALA A 37 10.012 26.486 0.732 1.00 40.42 H new ATOM 0 HB1 ALA A 37 9.514 28.374 2.252 1.00 23.00 H new ATOM 0 HB2 ALA A 37 11.264 28.071 2.127 1.00 23.00 H new ATOM 0 HB3 ALA A 37 10.532 29.437 1.252 1.00 23.00 H new ATOM 599 N SER A 38 8.987 28.878 -1.256 1.00 71.12 N ATOM 600 CA SER A 38 7.841 29.366 -2.015 1.00 22.14 C ATOM 601 C SER A 38 8.264 30.453 -2.999 1.00 33.23 C ATOM 602 O SER A 38 8.987 31.383 -2.641 1.00 43.14 O ATOM 603 CB SER A 38 6.769 29.908 -1.068 1.00 22.51 C ATOM 604 OG SER A 38 5.999 30.919 -1.694 1.00 42.23 O ATOM 0 H SER A 38 9.872 29.326 -1.493 1.00 71.12 H new ATOM 0 HA SER A 38 7.428 28.530 -2.580 1.00 22.14 H new ATOM 0 HB2 SER A 38 6.117 29.095 -0.749 1.00 22.51 H new ATOM 0 HB3 SER A 38 7.241 30.309 -0.171 1.00 22.51 H new ATOM 0 HG SER A 38 5.320 31.248 -1.068 1.00 42.23 H new ATOM 610 N LYS A 39 7.807 30.328 -4.240 1.00 13.34 N ATOM 611 CA LYS A 39 8.136 31.300 -5.277 1.00 33.01 C ATOM 612 C LYS A 39 7.714 32.705 -4.860 1.00 34.12 C ATOM 613 O LYS A 39 8.281 33.696 -5.319 1.00 2.32 O ATOM 614 CB LYS A 39 7.453 30.921 -6.593 1.00 44.24 C ATOM 615 CG LYS A 39 8.276 29.977 -7.454 1.00 62.40 C ATOM 616 CD LYS A 39 8.968 28.917 -6.615 1.00 73.34 C ATOM 617 CE LYS A 39 9.826 27.999 -7.472 1.00 42.53 C ATOM 618 NZ LYS A 39 9.256 26.626 -7.557 1.00 60.33 N ATOM 0 H LYS A 39 7.208 29.564 -4.553 1.00 13.34 H new ATOM 0 HA LYS A 39 9.217 31.292 -5.419 1.00 33.01 H new ATOM 0 HB2 LYS A 39 6.492 30.455 -6.373 1.00 44.24 H new ATOM 0 HB3 LYS A 39 7.245 31.829 -7.160 1.00 44.24 H new ATOM 0 HG2 LYS A 39 7.630 29.496 -8.188 1.00 62.40 H new ATOM 0 HG3 LYS A 39 9.021 30.546 -8.009 1.00 62.40 H new ATOM 0 HD2 LYS A 39 9.590 29.398 -5.860 1.00 73.34 H new ATOM 0 HD3 LYS A 39 8.221 28.327 -6.084 1.00 73.34 H new ATOM 0 HE2 LYS A 39 9.916 28.417 -8.474 1.00 42.53 H new ATOM 0 HE3 LYS A 39 10.832 27.949 -7.056 1.00 42.53 H new ATOM 0 HZ1 LYS A 39 9.870 26.031 -8.150 1.00 60.33 H new ATOM 0 HZ2 LYS A 39 9.194 26.216 -6.603 1.00 60.33 H new ATOM 0 HZ3 LYS A 39 8.306 26.670 -7.978 1.00 60.33 H new ATOM 632 N ASP A 40 6.715 32.783 -3.987 1.00 54.45 N ATOM 633 CA ASP A 40 6.218 34.067 -3.506 1.00 42.24 C ATOM 634 C ASP A 40 6.787 34.388 -2.127 1.00 73.35 C ATOM 635 O ASP A 40 6.226 35.195 -1.385 1.00 71.14 O ATOM 636 CB ASP A 40 4.690 34.060 -3.453 1.00 64.32 C ATOM 637 CG ASP A 40 4.075 35.162 -4.293 1.00 21.33 C ATOM 638 OD1 ASP A 40 4.571 35.398 -5.414 1.00 55.42 O ATOM 639 OD2 ASP A 40 3.099 35.788 -3.829 1.00 62.03 O ATOM 0 H ASP A 40 6.234 31.972 -3.598 1.00 54.45 H new ATOM 0 HA ASP A 40 6.545 34.839 -4.202 1.00 42.24 H new ATOM 0 HB2 ASP A 40 4.322 33.095 -3.800 1.00 64.32 H new ATOM 0 HB3 ASP A 40 4.365 34.172 -2.419 1.00 64.32 H new ATOM 644 N PHE A 41 7.902 33.749 -1.791 1.00 1.24 N ATOM 645 CA PHE A 41 8.545 33.965 -0.499 1.00 44.43 C ATOM 646 C PHE A 41 10.061 33.832 -0.618 1.00 1.33 C ATOM 647 O PHE A 41 10.595 33.651 -1.711 1.00 72.55 O ATOM 648 CB PHE A 41 8.013 32.967 0.532 1.00 4.32 C ATOM 649 CG PHE A 41 7.844 33.556 1.903 1.00 14.43 C ATOM 650 CD1 PHE A 41 7.021 34.654 2.104 1.00 45.55 C ATOM 651 CD2 PHE A 41 8.506 33.013 2.992 1.00 2.01 C ATOM 652 CE1 PHE A 41 6.863 35.198 3.364 1.00 71.20 C ATOM 653 CE2 PHE A 41 8.350 33.552 4.255 1.00 12.32 C ATOM 654 CZ PHE A 41 7.529 34.647 4.441 1.00 12.51 C ATOM 0 H PHE A 41 8.379 33.078 -2.394 1.00 1.24 H new ATOM 0 HA PHE A 41 8.311 34.977 -0.169 1.00 44.43 H new ATOM 0 HB2 PHE A 41 7.053 32.581 0.190 1.00 4.32 H new ATOM 0 HB3 PHE A 41 8.695 32.119 0.591 1.00 4.32 H new ATOM 0 HD1 PHE A 41 6.497 35.089 1.266 1.00 45.55 H new ATOM 0 HD2 PHE A 41 9.152 32.158 2.852 1.00 2.01 H new ATOM 0 HE1 PHE A 41 6.219 36.053 3.507 1.00 71.20 H new ATOM 0 HE2 PHE A 41 8.870 33.117 5.096 1.00 12.32 H new ATOM 0 HZ PHE A 41 7.408 35.071 5.427 1.00 12.51 H new ATOM 664 N ASN A 42 10.748 33.924 0.517 1.00 51.45 N ATOM 665 CA ASN A 42 12.202 33.815 0.541 1.00 54.42 C ATOM 666 C ASN A 42 12.834 34.746 -0.490 1.00 13.12 C ATOM 667 O ASN A 42 12.615 34.599 -1.692 1.00 72.22 O ATOM 668 CB ASN A 42 12.631 32.371 0.271 1.00 54.41 C ATOM 669 CG ASN A 42 12.807 32.087 -1.208 1.00 51.31 C ATOM 670 OD1 ASN A 42 11.854 31.732 -1.901 1.00 60.40 O ATOM 671 ND2 ASN A 42 14.031 32.243 -1.699 1.00 71.31 N ATOM 0 H ASN A 42 10.321 34.074 1.431 1.00 51.45 H new ATOM 0 HA ASN A 42 12.547 34.110 1.532 1.00 54.42 H new ATOM 0 HB2 ASN A 42 13.568 32.170 0.791 1.00 54.41 H new ATOM 0 HB3 ASN A 42 11.886 31.690 0.683 1.00 54.41 H new ATOM 0 HD22 ASN A 42 14.792 32.539 -1.088 1.00 71.31 H new ATOM 677 N ARG A 43 13.620 35.705 -0.010 1.00 61.53 N ATOM 678 CA ARG A 43 14.284 36.660 -0.890 1.00 13.12 C ATOM 679 C ARG A 43 15.597 36.091 -1.417 1.00 41.34 C ATOM 680 O ARG A 43 16.384 36.799 -2.046 1.00 64.13 O ATOM 681 CB ARG A 43 14.546 37.971 -0.148 1.00 15.14 C ATOM 682 CG ARG A 43 13.606 39.097 -0.550 1.00 45.55 C ATOM 683 CD ARG A 43 14.364 40.259 -1.173 1.00 4.13 C ATOM 684 NE ARG A 43 13.470 41.205 -1.834 1.00 52.22 N ATOM 685 CZ ARG A 43 12.750 42.113 -1.185 1.00 72.52 C ATOM 686 NH1 ARG A 43 12.819 42.197 0.136 1.00 11.33 N ATOM 687 NH2 ARG A 43 11.959 42.939 -1.857 1.00 72.11 N ATOM 0 H ARG A 43 13.812 35.841 0.982 1.00 61.53 H new ATOM 0 HA ARG A 43 13.626 36.854 -1.737 1.00 13.12 H new ATOM 0 HB2 ARG A 43 14.453 37.797 0.924 1.00 15.14 H new ATOM 0 HB3 ARG A 43 15.574 38.284 -0.332 1.00 15.14 H new ATOM 0 HG2 ARG A 43 12.868 38.721 -1.258 1.00 45.55 H new ATOM 0 HG3 ARG A 43 13.059 39.446 0.326 1.00 45.55 H new ATOM 0 HD2 ARG A 43 14.932 40.777 -0.400 1.00 4.13 H new ATOM 0 HD3 ARG A 43 15.084 39.876 -1.896 1.00 4.13 H new ATOM 0 HE ARG A 43 13.394 41.167 -2.850 1.00 52.22 H new ATOM 0 HH11 ARG A 43 13.426 41.564 0.656 1.00 11.33 H new ATOM 0 HH12 ARG A 43 12.265 42.895 0.632 1.00 11.33 H new ATOM 0 HH21 ARG A 43 11.903 42.877 -2.874 1.00 72.11 H new ATOM 0 HH22 ARG A 43 11.407 43.636 -1.357 1.00 72.11 H new ATOM 701 N SER A 44 15.828 34.808 -1.156 1.00 51.13 N ATOM 702 CA SER A 44 17.048 34.145 -1.602 1.00 23.12 C ATOM 703 C SER A 44 18.282 34.848 -1.045 1.00 43.24 C ATOM 704 O SER A 44 18.373 36.076 -1.063 1.00 1.21 O ATOM 705 CB SER A 44 17.109 34.116 -3.130 1.00 5.34 C ATOM 706 OG SER A 44 16.260 35.099 -3.694 1.00 12.14 O ATOM 0 H SER A 44 15.187 34.207 -0.638 1.00 51.13 H new ATOM 0 HA SER A 44 17.034 33.121 -1.227 1.00 23.12 H new ATOM 0 HB2 SER A 44 18.134 34.285 -3.459 1.00 5.34 H new ATOM 0 HB3 SER A 44 16.817 33.129 -3.490 1.00 5.34 H new ATOM 0 HG SER A 44 16.623 35.990 -3.508 1.00 12.14 H new ATOM 712 N LYS A 45 19.231 34.061 -0.550 1.00 63.33 N ATOM 713 CA LYS A 45 20.462 34.606 0.011 1.00 24.51 C ATOM 714 C LYS A 45 21.603 34.526 -0.999 1.00 21.23 C ATOM 715 O LYS A 45 21.870 35.484 -1.723 1.00 44.35 O ATOM 716 CB LYS A 45 20.843 33.850 1.286 1.00 23.23 C ATOM 717 CG LYS A 45 20.023 34.253 2.500 1.00 42.53 C ATOM 718 CD LYS A 45 18.568 33.847 2.351 1.00 73.35 C ATOM 719 CE LYS A 45 18.430 32.353 2.100 1.00 74.43 C ATOM 720 NZ LYS A 45 17.024 31.890 2.265 1.00 22.12 N ATOM 0 H LYS A 45 19.171 33.043 -0.526 1.00 63.33 H new ATOM 0 HA LYS A 45 20.288 35.654 0.254 1.00 24.51 H new ATOM 0 HB2 LYS A 45 20.721 32.781 1.114 1.00 23.23 H new ATOM 0 HB3 LYS A 45 21.898 34.021 1.498 1.00 23.23 H new ATOM 0 HG2 LYS A 45 20.441 33.789 3.393 1.00 42.53 H new ATOM 0 HG3 LYS A 45 20.088 35.332 2.642 1.00 42.53 H new ATOM 0 HD2 LYS A 45 18.019 34.118 3.253 1.00 73.35 H new ATOM 0 HD3 LYS A 45 18.118 34.399 1.526 1.00 73.35 H new ATOM 0 HE2 LYS A 45 18.773 32.121 1.092 1.00 74.43 H new ATOM 0 HE3 LYS A 45 19.075 31.808 2.789 1.00 74.43 H new ATOM 0 HZ1 LYS A 45 16.865 31.046 1.678 1.00 22.12 H new ATOM 0 HZ2 LYS A 45 16.851 31.655 3.263 1.00 22.12 H new ATOM 0 HZ3 LYS A 45 16.373 32.645 1.969 1.00 22.12 H new ATOM 734 N ALA A 46 22.270 33.378 -1.042 1.00 22.44 N ATOM 735 CA ALA A 46 23.379 33.172 -1.965 1.00 54.34 C ATOM 736 C ALA A 46 24.355 34.343 -1.919 1.00 51.14 C ATOM 737 O ALA A 46 24.624 34.980 -2.938 1.00 52.43 O ATOM 738 CB ALA A 46 22.857 32.973 -3.381 1.00 24.42 C ATOM 0 H ALA A 46 22.062 32.576 -0.448 1.00 22.44 H new ATOM 0 HA ALA A 46 23.914 32.274 -1.657 1.00 54.34 H new ATOM 0 HB1 ALA A 46 23.696 32.820 -4.060 1.00 24.42 H new ATOM 0 HB2 ALA A 46 22.204 32.101 -3.409 1.00 24.42 H new ATOM 0 HB3 ALA A 46 22.297 33.856 -3.690 1.00 24.42 H new ATOM 744 N LEU A 47 24.882 34.621 -0.732 1.00 3.21 N ATOM 745 CA LEU A 47 25.830 35.716 -0.553 1.00 71.13 C ATOM 746 C LEU A 47 26.969 35.305 0.374 1.00 12.05 C ATOM 747 O LEU A 47 26.859 34.326 1.112 1.00 4.45 O ATOM 748 CB LEU A 47 25.116 36.946 0.011 1.00 51.31 C ATOM 749 CG LEU A 47 23.710 37.212 -0.528 1.00 75.00 C ATOM 750 CD1 LEU A 47 22.668 36.952 0.549 1.00 34.02 C ATOM 751 CD2 LEU A 47 23.598 38.638 -1.047 1.00 40.23 C ATOM 0 H LEU A 47 24.669 34.104 0.121 1.00 3.21 H new ATOM 0 HA LEU A 47 26.252 35.962 -1.528 1.00 71.13 H new ATOM 0 HB2 LEU A 47 25.054 36.841 1.094 1.00 51.31 H new ATOM 0 HB3 LEU A 47 25.732 37.823 -0.189 1.00 51.31 H new ATOM 0 HG LEU A 47 23.525 36.529 -1.357 1.00 75.00 H new ATOM 0 HD11 LEU A 47 21.673 37.146 0.148 1.00 34.02 H new ATOM 0 HD12 LEU A 47 22.732 35.913 0.874 1.00 34.02 H new ATOM 0 HD13 LEU A 47 22.851 37.610 1.399 1.00 34.02 H new ATOM 0 HD21 LEU A 47 22.591 38.809 -1.427 1.00 40.23 H new ATOM 0 HD22 LEU A 47 23.804 39.337 -0.237 1.00 40.23 H new ATOM 0 HD23 LEU A 47 24.319 38.791 -1.850 1.00 40.23 H new ATOM 763 N PHE A 48 28.061 36.060 0.332 1.00 41.52 N ATOM 764 CA PHE A 48 29.221 35.776 1.169 1.00 34.25 C ATOM 765 C PHE A 48 30.090 37.019 1.336 1.00 34.21 C ATOM 766 O PHE A 48 30.580 37.304 2.429 1.00 11.21 O ATOM 767 CB PHE A 48 30.047 34.640 0.564 1.00 70.52 C ATOM 768 CG PHE A 48 30.337 34.823 -0.898 1.00 71.03 C ATOM 769 CD1 PHE A 48 29.426 34.406 -1.856 1.00 54.40 C ATOM 770 CD2 PHE A 48 31.519 35.413 -1.316 1.00 65.43 C ATOM 771 CE1 PHE A 48 29.690 34.573 -3.202 1.00 40.02 C ATOM 772 CE2 PHE A 48 31.789 35.582 -2.661 1.00 55.04 C ATOM 773 CZ PHE A 48 30.872 35.163 -3.605 1.00 45.40 C ATOM 0 H PHE A 48 28.167 36.874 -0.273 1.00 41.52 H new ATOM 0 HA PHE A 48 28.862 35.471 2.152 1.00 34.25 H new ATOM 0 HB2 PHE A 48 30.989 34.558 1.106 1.00 70.52 H new ATOM 0 HB3 PHE A 48 29.515 33.699 0.706 1.00 70.52 H new ATOM 0 HD1 PHE A 48 28.499 33.945 -1.547 1.00 54.40 H new ATOM 0 HD2 PHE A 48 32.238 35.745 -0.582 1.00 65.43 H new ATOM 0 HE1 PHE A 48 28.973 34.242 -3.938 1.00 40.02 H new ATOM 0 HE2 PHE A 48 32.715 36.041 -2.973 1.00 55.04 H new ATOM 0 HZ PHE A 48 31.079 35.296 -4.657 1.00 45.40 H new ATOM 783 N SER A 49 30.275 37.755 0.245 1.00 13.43 N ATOM 784 CA SER A 49 31.088 38.966 0.269 1.00 73.44 C ATOM 785 C SER A 49 32.490 38.669 0.792 1.00 34.50 C ATOM 786 O SER A 49 32.858 37.511 0.987 1.00 70.51 O ATOM 787 CB SER A 49 30.422 40.035 1.136 1.00 1.43 C ATOM 788 OG SER A 49 30.388 41.285 0.468 1.00 30.13 O ATOM 0 H SER A 49 29.873 37.534 -0.666 1.00 13.43 H new ATOM 0 HA SER A 49 31.172 39.338 -0.752 1.00 73.44 H new ATOM 0 HB2 SER A 49 29.407 39.725 1.386 1.00 1.43 H new ATOM 0 HB3 SER A 49 30.965 40.136 2.076 1.00 1.43 H new ATOM 0 HG SER A 49 29.956 41.951 1.042 1.00 30.13 H new ATOM 794 N GLN A 50 33.265 39.723 1.019 1.00 3.41 N ATOM 795 CA GLN A 50 34.627 39.577 1.520 1.00 21.22 C ATOM 796 C GLN A 50 34.655 38.704 2.770 1.00 25.33 C ATOM 797 O GLN A 50 35.325 37.672 2.804 1.00 63.30 O ATOM 798 CB GLN A 50 35.231 40.948 1.826 1.00 21.53 C ATOM 799 CG GLN A 50 35.860 41.620 0.617 1.00 64.51 C ATOM 800 CD GLN A 50 34.862 42.426 -0.188 1.00 14.22 C ATOM 801 OE1 GLN A 50 33.817 42.832 0.323 1.00 3.43 O ATOM 802 NE2 GLN A 50 35.177 42.664 -1.456 1.00 12.11 N ATOM 0 H GLN A 50 32.974 40.688 0.864 1.00 3.41 H new ATOM 0 HA GLN A 50 35.222 39.092 0.746 1.00 21.22 H new ATOM 0 HB2 GLN A 50 34.453 41.597 2.228 1.00 21.53 H new ATOM 0 HB3 GLN A 50 35.987 40.837 2.604 1.00 21.53 H new ATOM 0 HG2 GLN A 50 36.666 42.274 0.949 1.00 64.51 H new ATOM 0 HG3 GLN A 50 36.309 40.861 -0.023 1.00 64.51 H new ATOM 0 HE21 GLN A 50 36.053 42.309 -1.839 1.00 12.11 H new ATOM 0 HE22 GLN A 50 34.543 43.202 -2.047 1.00 12.11 H new ATOM 811 N SER A 51 33.924 39.126 3.798 1.00 51.32 N ATOM 812 CA SER A 51 33.870 38.385 5.052 1.00 74.22 C ATOM 813 C SER A 51 32.785 38.945 5.967 1.00 40.31 C ATOM 814 O SER A 51 33.068 39.712 6.887 1.00 21.02 O ATOM 815 CB SER A 51 35.225 38.437 5.760 1.00 62.44 C ATOM 816 OG SER A 51 35.394 37.323 6.620 1.00 62.15 O ATOM 0 H SER A 51 33.362 39.977 3.786 1.00 51.32 H new ATOM 0 HA SER A 51 33.628 37.347 4.821 1.00 74.22 H new ATOM 0 HB2 SER A 51 36.025 38.454 5.020 1.00 62.44 H new ATOM 0 HB3 SER A 51 35.303 39.360 6.335 1.00 62.44 H new ATOM 0 HG SER A 51 36.268 37.379 7.059 1.00 62.15 H new ATOM 822 N ALA A 52 31.540 38.556 5.707 1.00 43.53 N ATOM 823 CA ALA A 52 30.413 39.018 6.506 1.00 24.15 C ATOM 824 C ALA A 52 29.936 37.929 7.461 1.00 52.01 C ATOM 825 O ALA A 52 29.539 38.213 8.592 1.00 22.32 O ATOM 826 CB ALA A 52 29.274 39.467 5.603 1.00 60.42 C ATOM 0 H ALA A 52 31.288 37.922 4.949 1.00 43.53 H new ATOM 0 HA ALA A 52 30.745 39.868 7.102 1.00 24.15 H new ATOM 0 HB1 ALA A 52 28.439 39.810 6.214 1.00 60.42 H new ATOM 0 HB2 ALA A 52 29.615 40.282 4.965 1.00 60.42 H new ATOM 0 HB3 ALA A 52 28.951 38.631 4.982 1.00 60.42 H new ATOM 832 N ILE A 53 29.975 36.684 6.999 1.00 41.10 N ATOM 833 CA ILE A 53 29.547 35.553 7.813 1.00 53.12 C ATOM 834 C ILE A 53 30.369 34.308 7.499 1.00 23.14 C ATOM 835 O ILE A 53 30.227 33.709 6.433 1.00 32.42 O ATOM 836 CB ILE A 53 28.055 35.237 7.597 1.00 53.44 C ATOM 837 CG1 ILE A 53 27.209 36.495 7.807 1.00 4.14 C ATOM 838 CG2 ILE A 53 27.607 34.128 8.537 1.00 43.13 C ATOM 839 CD1 ILE A 53 25.728 36.267 7.608 1.00 40.02 C ATOM 0 H ILE A 53 30.299 36.433 6.065 1.00 41.10 H new ATOM 0 HA ILE A 53 29.703 35.836 8.854 1.00 53.12 H new ATOM 0 HB ILE A 53 27.916 34.895 6.571 1.00 53.44 H new ATOM 0 HG12 ILE A 53 27.378 36.872 8.816 1.00 4.14 H new ATOM 0 HG13 ILE A 53 27.545 37.269 7.117 1.00 4.14 H new ATOM 0 HG21 ILE A 53 26.551 33.916 8.372 1.00 43.13 H new ATOM 0 HG22 ILE A 53 28.192 33.229 8.344 1.00 43.13 H new ATOM 0 HG23 ILE A 53 27.757 34.443 9.570 1.00 43.13 H new ATOM 0 HD11 ILE A 53 25.191 37.201 7.773 1.00 40.02 H new ATOM 0 HD12 ILE A 53 25.547 35.919 6.591 1.00 40.02 H new ATOM 0 HD13 ILE A 53 25.377 35.517 8.316 1.00 40.02 H new ATOM 851 N SER A 54 31.229 33.921 8.437 1.00 53.33 N ATOM 852 CA SER A 54 32.076 32.747 8.261 1.00 51.15 C ATOM 853 C SER A 54 31.244 31.469 8.288 1.00 24.22 C ATOM 854 O SER A 54 31.106 30.830 9.331 1.00 24.41 O ATOM 855 CB SER A 54 33.147 32.697 9.351 1.00 4.43 C ATOM 856 OG SER A 54 33.579 34.000 9.703 1.00 12.30 O ATOM 0 H SER A 54 31.357 34.404 9.326 1.00 53.33 H new ATOM 0 HA SER A 54 32.562 32.822 7.288 1.00 51.15 H new ATOM 0 HB2 SER A 54 32.750 32.192 10.232 1.00 4.43 H new ATOM 0 HB3 SER A 54 33.997 32.110 9.003 1.00 4.43 H new ATOM 0 HG SER A 54 34.262 33.940 10.403 1.00 12.30 H new ATOM 862 N GLN A 55 30.693 31.103 7.135 1.00 23.23 N ATOM 863 CA GLN A 55 29.875 29.901 7.028 1.00 73.11 C ATOM 864 C GLN A 55 30.627 28.681 7.550 1.00 42.41 C ATOM 865 O GLN A 55 30.021 27.678 7.929 1.00 55.54 O ATOM 866 CB GLN A 55 29.455 29.673 5.575 1.00 53.22 C ATOM 867 CG GLN A 55 28.753 30.867 4.950 1.00 13.11 C ATOM 868 CD GLN A 55 28.335 30.614 3.515 1.00 53.34 C ATOM 869 OE1 GLN A 55 28.718 29.611 2.913 1.00 42.10 O ATOM 870 NE2 GLN A 55 27.544 31.523 2.958 1.00 14.23 N ATOM 0 H GLN A 55 30.798 31.621 6.263 1.00 23.23 H new ATOM 0 HA GLN A 55 28.984 30.043 7.639 1.00 73.11 H new ATOM 0 HB2 GLN A 55 30.338 29.431 4.984 1.00 53.22 H new ATOM 0 HB3 GLN A 55 28.794 28.808 5.528 1.00 53.22 H new ATOM 0 HG2 GLN A 55 27.872 31.117 5.542 1.00 13.11 H new ATOM 0 HG3 GLN A 55 29.416 31.732 4.984 1.00 13.11 H new ATOM 0 HE21 GLN A 55 27.250 32.340 3.493 1.00 14.23 H new ATOM 0 HE22 GLN A 55 27.230 31.404 1.995 1.00 14.23 H new ATOM 879 N LYS A 56 31.953 28.773 7.567 1.00 65.43 N ATOM 880 CA LYS A 56 32.790 27.678 8.043 1.00 63.52 C ATOM 881 C LYS A 56 32.266 27.127 9.365 1.00 1.54 C ATOM 882 O LYS A 56 32.319 25.923 9.611 1.00 43.20 O ATOM 883 CB LYS A 56 34.236 28.149 8.211 1.00 12.42 C ATOM 884 CG LYS A 56 34.368 29.422 9.031 1.00 62.13 C ATOM 885 CD LYS A 56 35.795 29.946 9.019 1.00 13.44 C ATOM 886 CE LYS A 56 36.690 29.146 9.953 1.00 51.31 C ATOM 887 NZ LYS A 56 38.023 29.788 10.128 1.00 61.51 N ATOM 0 H LYS A 56 32.471 29.595 7.256 1.00 65.43 H new ATOM 0 HA LYS A 56 32.759 26.881 7.300 1.00 63.52 H new ATOM 0 HB2 LYS A 56 34.814 27.358 8.688 1.00 12.42 H new ATOM 0 HB3 LYS A 56 34.673 28.314 7.226 1.00 12.42 H new ATOM 0 HG2 LYS A 56 33.696 30.183 8.634 1.00 62.13 H new ATOM 0 HG3 LYS A 56 34.059 29.228 10.058 1.00 62.13 H new ATOM 0 HD2 LYS A 56 36.192 29.900 8.005 1.00 13.44 H new ATOM 0 HD3 LYS A 56 35.801 30.995 9.317 1.00 13.44 H new ATOM 0 HE2 LYS A 56 36.205 29.046 10.924 1.00 51.31 H new ATOM 0 HE3 LYS A 56 36.821 28.139 9.557 1.00 51.31 H new ATOM 0 HZ1 LYS A 56 38.604 29.213 10.771 1.00 61.51 H new ATOM 0 HZ2 LYS A 56 38.497 29.861 9.205 1.00 61.51 H new ATOM 0 HZ3 LYS A 56 37.900 30.739 10.530 1.00 61.51 H new ATOM 901 N GLU A 57 31.758 28.019 10.212 1.00 25.30 N ATOM 902 CA GLU A 57 31.225 27.620 11.509 1.00 34.22 C ATOM 903 C GLU A 57 30.144 28.591 11.974 1.00 55.33 C ATOM 904 O GLU A 57 29.822 28.658 13.160 1.00 2.34 O ATOM 905 CB GLU A 57 32.346 27.553 12.548 1.00 32.42 C ATOM 906 CG GLU A 57 33.466 26.597 12.173 1.00 2.02 C ATOM 907 CD GLU A 57 34.518 26.476 13.259 1.00 13.11 C ATOM 908 OE1 GLU A 57 34.579 27.371 14.128 1.00 42.33 O ATOM 909 OE2 GLU A 57 35.279 25.487 13.240 1.00 63.34 O ATOM 0 H GLU A 57 31.705 29.020 10.023 1.00 25.30 H new ATOM 0 HA GLU A 57 30.780 26.631 11.401 1.00 34.22 H new ATOM 0 HB2 GLU A 57 32.762 28.551 12.686 1.00 32.42 H new ATOM 0 HB3 GLU A 57 31.925 27.248 13.506 1.00 32.42 H new ATOM 0 HG2 GLU A 57 33.045 25.612 11.969 1.00 2.02 H new ATOM 0 HG3 GLU A 57 33.938 26.939 11.252 1.00 2.02 H new ATOM 916 N TYR A 58 29.586 29.343 11.031 1.00 62.34 N ATOM 917 CA TYR A 58 28.544 30.312 11.343 1.00 54.10 C ATOM 918 C TYR A 58 27.389 29.651 12.090 1.00 24.41 C ATOM 919 O TYR A 58 27.215 28.434 12.032 1.00 65.00 O ATOM 920 CB TYR A 58 28.027 30.967 10.061 1.00 55.41 C ATOM 921 CG TYR A 58 27.006 30.132 9.322 1.00 22.51 C ATOM 922 CD1 TYR A 58 27.190 28.765 9.153 1.00 61.12 C ATOM 923 CD2 TYR A 58 25.858 30.709 8.794 1.00 23.51 C ATOM 924 CE1 TYR A 58 26.260 27.997 8.479 1.00 43.11 C ATOM 925 CE2 TYR A 58 24.922 29.948 8.120 1.00 11.10 C ATOM 926 CZ TYR A 58 25.128 28.593 7.965 1.00 13.42 C ATOM 927 OH TYR A 58 24.198 27.833 7.292 1.00 5.14 O ATOM 0 H TYR A 58 29.839 29.299 10.044 1.00 62.34 H new ATOM 0 HA TYR A 58 28.978 31.078 11.986 1.00 54.10 H new ATOM 0 HB2 TYR A 58 27.584 31.931 10.309 1.00 55.41 H new ATOM 0 HB3 TYR A 58 28.870 31.165 9.399 1.00 55.41 H new ATOM 0 HD1 TYR A 58 28.075 28.295 9.555 1.00 61.12 H new ATOM 0 HD2 TYR A 58 25.694 31.770 8.912 1.00 23.51 H new ATOM 0 HE1 TYR A 58 26.419 26.936 8.356 1.00 43.11 H new ATOM 0 HE2 TYR A 58 24.034 30.412 7.717 1.00 11.10 H new ATOM 0 HH TYR A 58 23.460 28.406 6.995 1.00 5.14 H new ATOM 937 N ASP A 59 26.604 30.462 12.790 1.00 61.24 N ATOM 938 CA ASP A 59 25.465 29.958 13.548 1.00 61.15 C ATOM 939 C ASP A 59 24.215 29.898 12.675 1.00 11.10 C ATOM 940 O ASP A 59 24.172 30.487 11.594 1.00 12.25 O ATOM 941 CB ASP A 59 25.208 30.840 14.770 1.00 73.50 C ATOM 942 CG ASP A 59 25.284 30.064 16.070 1.00 32.22 C ATOM 943 OD1 ASP A 59 26.360 29.503 16.363 1.00 15.24 O ATOM 944 OD2 ASP A 59 24.266 30.017 16.794 1.00 42.22 O ATOM 0 H ASP A 59 26.736 31.472 12.848 1.00 61.24 H new ATOM 0 HA ASP A 59 25.701 28.948 13.883 1.00 61.15 H new ATOM 0 HB2 ASP A 59 25.938 31.649 14.790 1.00 73.50 H new ATOM 0 HB3 ASP A 59 24.224 31.300 14.682 1.00 73.50 H new ATOM 949 N SER A 60 23.201 29.182 13.150 1.00 1.03 N ATOM 950 CA SER A 60 21.952 29.041 12.411 1.00 41.14 C ATOM 951 C SER A 60 21.004 30.196 12.722 1.00 70.11 C ATOM 952 O SER A 60 20.228 30.624 11.868 1.00 63.15 O ATOM 953 CB SER A 60 21.281 27.710 12.751 1.00 25.41 C ATOM 954 OG SER A 60 21.139 26.900 11.595 1.00 10.15 O ATOM 0 H SER A 60 23.220 28.690 14.044 1.00 1.03 H new ATOM 0 HA SER A 60 22.184 29.061 11.346 1.00 41.14 H new ATOM 0 HB2 SER A 60 21.872 27.182 13.499 1.00 25.41 H new ATOM 0 HB3 SER A 60 20.301 27.895 13.192 1.00 25.41 H new ATOM 0 HG SER A 60 20.709 26.054 11.839 1.00 10.15 H new ATOM 960 N SER A 61 21.073 30.694 13.952 1.00 21.21 N ATOM 961 CA SER A 61 20.219 31.796 14.379 1.00 15.13 C ATOM 962 C SER A 61 20.305 32.962 13.399 1.00 4.54 C ATOM 963 O SER A 61 19.315 33.650 13.145 1.00 40.14 O ATOM 964 CB SER A 61 20.615 32.263 15.781 1.00 62.05 C ATOM 965 OG SER A 61 21.976 31.972 16.050 1.00 31.21 O ATOM 0 H SER A 61 21.711 30.352 14.670 1.00 21.21 H new ATOM 0 HA SER A 61 19.190 31.438 14.400 1.00 15.13 H new ATOM 0 HB2 SER A 61 20.444 33.336 15.872 1.00 62.05 H new ATOM 0 HB3 SER A 61 19.982 31.775 16.522 1.00 62.05 H new ATOM 0 HG SER A 61 22.043 31.097 16.485 1.00 31.21 H new ATOM 971 N LEU A 62 21.496 33.179 12.851 1.00 33.21 N ATOM 972 CA LEU A 62 21.714 34.261 11.898 1.00 2.01 C ATOM 973 C LEU A 62 21.351 33.822 10.483 1.00 42.52 C ATOM 974 O LEU A 62 21.034 34.649 9.628 1.00 4.52 O ATOM 975 CB LEU A 62 23.172 34.721 11.944 1.00 44.03 C ATOM 976 CG LEU A 62 24.192 33.786 11.292 1.00 74.45 C ATOM 977 CD1 LEU A 62 24.796 34.434 10.056 1.00 62.11 C ATOM 978 CD2 LEU A 62 25.280 33.408 12.285 1.00 71.21 C ATOM 0 H LEU A 62 22.325 32.620 13.051 1.00 33.21 H new ATOM 0 HA LEU A 62 21.068 35.094 12.177 1.00 2.01 H new ATOM 0 HB2 LEU A 62 23.240 35.695 11.459 1.00 44.03 H new ATOM 0 HB3 LEU A 62 23.454 34.863 12.987 1.00 44.03 H new ATOM 0 HG LEU A 62 23.677 32.876 10.985 1.00 74.45 H new ATOM 0 HD11 LEU A 62 25.519 33.754 9.605 1.00 62.11 H new ATOM 0 HD12 LEU A 62 24.006 34.652 9.337 1.00 62.11 H new ATOM 0 HD13 LEU A 62 25.296 35.361 10.338 1.00 62.11 H new ATOM 0 HD21 LEU A 62 25.997 32.743 11.804 1.00 71.21 H new ATOM 0 HD22 LEU A 62 25.792 34.309 12.624 1.00 71.21 H new ATOM 0 HD23 LEU A 62 24.832 32.902 13.140 1.00 71.21 H new ATOM 990 N ALA A 63 21.397 32.516 10.244 1.00 45.21 N ATOM 991 CA ALA A 63 21.069 31.967 8.935 1.00 65.31 C ATOM 992 C ALA A 63 19.560 31.924 8.720 1.00 42.01 C ATOM 993 O ALA A 63 18.812 31.450 9.576 1.00 41.51 O ATOM 994 CB ALA A 63 21.666 30.575 8.781 1.00 35.23 C ATOM 0 H ALA A 63 21.658 31.818 10.940 1.00 45.21 H new ATOM 0 HA ALA A 63 21.499 32.621 8.176 1.00 65.31 H new ATOM 0 HB1 ALA A 63 21.413 30.177 7.798 1.00 35.23 H new ATOM 0 HB2 ALA A 63 22.750 30.631 8.882 1.00 35.23 H new ATOM 0 HB3 ALA A 63 21.263 29.919 9.553 1.00 35.23 H new ATOM 1000 N THR A 64 19.116 32.423 7.569 1.00 2.25 N ATOM 1001 CA THR A 64 17.696 32.444 7.243 1.00 61.43 C ATOM 1002 C THR A 64 17.363 31.411 6.173 1.00 50.34 C ATOM 1003 O THR A 64 17.608 31.631 4.985 1.00 43.22 O ATOM 1004 CB THR A 64 17.252 33.835 6.753 1.00 4.03 C ATOM 1005 OG1 THR A 64 18.191 34.828 7.184 1.00 71.53 O ATOM 1006 CG2 THR A 64 15.867 34.177 7.280 1.00 71.04 C ATOM 0 H THR A 64 19.720 32.818 6.848 1.00 2.25 H new ATOM 0 HA THR A 64 17.158 32.201 8.159 1.00 61.43 H new ATOM 0 HB THR A 64 17.215 33.818 5.664 1.00 4.03 H new ATOM 0 HG1 THR A 64 17.903 35.710 6.867 1.00 71.53 H new ATOM 0 HG21 THR A 64 15.575 35.164 6.921 1.00 71.04 H new ATOM 0 HG22 THR A 64 15.150 33.435 6.927 1.00 71.04 H new ATOM 0 HG23 THR A 64 15.882 34.177 8.370 1.00 71.04 H new ATOM 1014 N LEU A 65 16.804 30.284 6.598 1.00 74.32 N ATOM 1015 CA LEU A 65 16.435 29.216 5.675 1.00 43.45 C ATOM 1016 C LEU A 65 15.173 28.501 6.144 1.00 33.11 C ATOM 1017 O LEU A 65 15.195 27.763 7.130 1.00 51.24 O ATOM 1018 CB LEU A 65 17.583 28.213 5.540 1.00 10.51 C ATOM 1019 CG LEU A 65 18.906 28.774 5.019 1.00 44.31 C ATOM 1020 CD1 LEU A 65 20.069 27.895 5.457 1.00 33.31 C ATOM 1021 CD2 LEU A 65 18.873 28.900 3.503 1.00 23.30 C ATOM 0 H LEU A 65 16.596 30.085 7.577 1.00 74.32 H new ATOM 0 HA LEU A 65 16.235 29.664 4.702 1.00 43.45 H new ATOM 0 HB2 LEU A 65 17.762 27.762 6.516 1.00 10.51 H new ATOM 0 HB3 LEU A 65 17.263 27.412 4.873 1.00 10.51 H new ATOM 0 HG LEU A 65 19.048 29.768 5.443 1.00 44.31 H new ATOM 0 HD11 LEU A 65 21.002 28.310 5.077 1.00 33.31 H new ATOM 0 HD12 LEU A 65 20.106 27.856 6.546 1.00 33.31 H new ATOM 0 HD13 LEU A 65 19.933 26.888 5.063 1.00 33.31 H new ATOM 0 HD21 LEU A 65 19.823 29.301 3.150 1.00 23.30 H new ATOM 0 HD22 LEU A 65 18.707 27.918 3.060 1.00 23.30 H new ATOM 0 HD23 LEU A 65 18.065 29.571 3.211 1.00 23.30 H new ATOM 1033 N ASP A 66 14.074 28.723 5.431 1.00 31.05 N ATOM 1034 CA ASP A 66 12.802 28.097 5.773 1.00 10.34 C ATOM 1035 C ASP A 66 12.912 26.576 5.720 1.00 43.32 C ATOM 1036 O ASP A 66 13.808 26.030 5.073 1.00 14.33 O ATOM 1037 CB ASP A 66 11.702 28.575 4.823 1.00 43.41 C ATOM 1038 CG ASP A 66 10.975 29.798 5.347 1.00 64.22 C ATOM 1039 OD1 ASP A 66 11.574 30.545 6.150 1.00 55.45 O ATOM 1040 OD2 ASP A 66 9.809 30.007 4.955 1.00 43.12 O ATOM 0 H ASP A 66 14.038 29.331 4.613 1.00 31.05 H new ATOM 0 HA ASP A 66 12.544 28.389 6.791 1.00 10.34 H new ATOM 0 HB2 ASP A 66 12.140 28.805 3.851 1.00 43.41 H new ATOM 0 HB3 ASP A 66 10.985 27.769 4.667 1.00 43.41 H new ATOM 1045 N HIS A 67 11.998 25.897 6.403 1.00 20.43 N ATOM 1046 CA HIS A 67 11.993 24.439 6.434 1.00 74.30 C ATOM 1047 C HIS A 67 10.711 23.887 5.817 1.00 32.15 C ATOM 1048 O HIS A 67 9.800 24.641 5.473 1.00 44.03 O ATOM 1049 CB HIS A 67 12.138 23.937 7.871 1.00 50.00 C ATOM 1050 CG HIS A 67 13.290 24.550 8.607 1.00 50.13 C ATOM 1051 ND1 HIS A 67 14.386 25.201 8.150 1.00 44.44 N flip ATOM 1052 CD2 HIS A 67 13.401 24.531 9.981 1.00 33.11 C flip ATOM 1053 CE1 HIS A 67 15.131 25.561 9.246 1.00 63.14 C flip ATOM 1054 NE2 HIS A 67 14.515 25.146 10.338 1.00 43.01 N flip ATOM 0 H HIS A 67 11.250 26.333 6.943 1.00 20.43 H new ATOM 0 HA HIS A 67 12.840 24.085 5.847 1.00 74.30 H new ATOM 0 HB2 HIS A 67 11.217 24.147 8.415 1.00 50.00 H new ATOM 0 HB3 HIS A 67 12.261 22.854 7.858 1.00 50.00 H new ATOM 0 HD2 HIS A 67 12.689 24.084 10.659 1.00 33.11 H new ATOM 0 HE1 HIS A 67 16.068 26.097 9.219 1.00 63.14 H new ATOM 0 HE2 HIS A 67 14.843 25.278 11.295 1.00 43.01 H new ATOM 1062 N THR A 68 10.647 22.566 5.680 1.00 64.41 N ATOM 1063 CA THR A 68 9.479 21.913 5.103 1.00 41.21 C ATOM 1064 C THR A 68 9.073 20.691 5.918 1.00 1.54 C ATOM 1065 O THR A 68 9.760 19.670 5.906 1.00 20.42 O ATOM 1066 CB THR A 68 9.738 21.482 3.646 1.00 23.35 C ATOM 1067 OG1 THR A 68 10.108 22.618 2.857 1.00 3.25 O ATOM 1068 CG2 THR A 68 8.504 20.823 3.049 1.00 15.14 C ATOM 0 H THR A 68 11.391 21.927 5.961 1.00 64.41 H new ATOM 0 HA THR A 68 8.669 22.642 5.120 1.00 41.21 H new ATOM 0 HB THR A 68 10.553 20.758 3.644 1.00 23.35 H new ATOM 0 HG1 THR A 68 9.919 22.436 1.913 1.00 3.25 H new ATOM 0 HG21 THR A 68 8.711 20.527 2.020 1.00 15.14 H new ATOM 0 HG22 THR A 68 8.243 19.941 3.634 1.00 15.14 H new ATOM 0 HG23 THR A 68 7.672 21.527 3.064 1.00 15.14 H new ATOM 1076 N GLU A 69 7.953 20.802 6.626 1.00 14.21 N ATOM 1077 CA GLU A 69 7.457 19.704 7.448 1.00 53.42 C ATOM 1078 C GLU A 69 7.010 18.533 6.578 1.00 14.31 C ATOM 1079 O GLU A 69 6.013 18.623 5.861 1.00 12.10 O ATOM 1080 CB GLU A 69 6.293 20.178 8.321 1.00 25.04 C ATOM 1081 CG GLU A 69 6.562 21.495 9.031 1.00 61.52 C ATOM 1082 CD GLU A 69 5.464 21.863 10.011 1.00 54.23 C ATOM 1083 OE1 GLU A 69 4.437 22.418 9.567 1.00 34.44 O ATOM 1084 OE2 GLU A 69 5.633 21.599 11.219 1.00 61.41 O ATOM 0 H GLU A 69 7.372 21.640 6.647 1.00 14.21 H new ATOM 0 HA GLU A 69 8.271 19.367 8.090 1.00 53.42 H new ATOM 0 HB2 GLU A 69 5.404 20.285 7.700 1.00 25.04 H new ATOM 0 HB3 GLU A 69 6.072 19.412 9.065 1.00 25.04 H new ATOM 0 HG2 GLU A 69 7.512 21.430 9.562 1.00 61.52 H new ATOM 0 HG3 GLU A 69 6.665 22.289 8.291 1.00 61.52 H new ATOM 1091 N ILE A 70 7.755 17.436 6.646 1.00 21.32 N ATOM 1092 CA ILE A 70 7.437 16.246 5.866 1.00 55.43 C ATOM 1093 C ILE A 70 6.280 15.473 6.490 1.00 13.25 C ATOM 1094 O ILE A 70 6.466 14.721 7.447 1.00 24.41 O ATOM 1095 CB ILE A 70 8.654 15.312 5.740 1.00 10.51 C ATOM 1096 CG1 ILE A 70 9.675 15.898 4.761 1.00 52.11 C ATOM 1097 CG2 ILE A 70 8.215 13.927 5.290 1.00 61.22 C ATOM 1098 CD1 ILE A 70 10.661 16.843 5.410 1.00 12.45 C ATOM 0 H ILE A 70 8.584 17.346 7.234 1.00 21.32 H new ATOM 0 HA ILE A 70 7.149 16.589 4.872 1.00 55.43 H new ATOM 0 HB ILE A 70 9.127 15.222 6.718 1.00 10.51 H new ATOM 0 HG12 ILE A 70 10.223 15.083 4.289 1.00 52.11 H new ATOM 0 HG13 ILE A 70 9.145 16.427 3.969 1.00 52.11 H new ATOM 0 HG21 ILE A 70 9.087 13.278 5.206 1.00 61.22 H new ATOM 0 HG22 ILE A 70 7.522 13.510 6.020 1.00 61.22 H new ATOM 0 HG23 ILE A 70 7.721 13.999 4.321 1.00 61.22 H new ATOM 0 HD11 ILE A 70 11.354 17.219 4.657 1.00 12.45 H new ATOM 0 HD12 ILE A 70 10.123 17.678 5.858 1.00 12.45 H new ATOM 0 HD13 ILE A 70 11.218 16.313 6.183 1.00 12.45 H new ATOM 1110 N LYS A 71 5.085 15.662 5.942 1.00 12.30 N ATOM 1111 CA LYS A 71 3.896 14.981 6.442 1.00 43.33 C ATOM 1112 C LYS A 71 3.660 13.676 5.690 1.00 71.44 C ATOM 1113 O LYS A 71 4.359 13.370 4.724 1.00 55.33 O ATOM 1114 CB LYS A 71 2.670 15.887 6.310 1.00 52.31 C ATOM 1115 CG LYS A 71 2.638 17.018 7.323 1.00 1.32 C ATOM 1116 CD LYS A 71 1.707 18.135 6.882 1.00 1.25 C ATOM 1117 CE LYS A 71 2.442 19.181 6.059 1.00 52.43 C ATOM 1118 NZ LYS A 71 2.198 19.010 4.599 1.00 25.32 N ATOM 0 H LYS A 71 4.914 16.282 5.150 1.00 12.30 H new ATOM 0 HA LYS A 71 4.057 14.749 7.495 1.00 43.33 H new ATOM 0 HB2 LYS A 71 2.647 16.309 5.305 1.00 52.31 H new ATOM 0 HB3 LYS A 71 1.769 15.284 6.423 1.00 52.31 H new ATOM 0 HG2 LYS A 71 2.313 16.633 8.290 1.00 1.32 H new ATOM 0 HG3 LYS A 71 3.644 17.414 7.459 1.00 1.32 H new ATOM 0 HD2 LYS A 71 0.889 17.718 6.295 1.00 1.25 H new ATOM 0 HD3 LYS A 71 1.262 18.607 7.758 1.00 1.25 H new ATOM 0 HE2 LYS A 71 2.121 20.176 6.367 1.00 52.43 H new ATOM 0 HE3 LYS A 71 3.511 19.115 6.259 1.00 52.43 H new ATOM 0 HZ1 LYS A 71 3.102 19.062 4.088 1.00 25.32 H new ATOM 0 HZ2 LYS A 71 1.756 18.085 4.427 1.00 25.32 H new ATOM 0 HZ3 LYS A 71 1.566 19.764 4.262 1.00 25.32 H new ATOM 1132 N ALA A 72 2.670 12.910 6.137 1.00 3.23 N ATOM 1133 CA ALA A 72 2.340 11.640 5.503 1.00 24.13 C ATOM 1134 C ALA A 72 1.297 11.828 4.408 1.00 73.34 C ATOM 1135 O ALA A 72 0.385 12.648 4.519 1.00 42.41 O ATOM 1136 CB ALA A 72 1.844 10.645 6.542 1.00 42.32 C ATOM 0 H ALA A 72 2.082 13.147 6.936 1.00 3.23 H new ATOM 0 HA ALA A 72 3.246 11.246 5.042 1.00 24.13 H new ATOM 0 HB1 ALA A 72 1.601 9.701 6.055 1.00 42.32 H new ATOM 0 HB2 ALA A 72 2.622 10.479 7.287 1.00 42.32 H new ATOM 0 HB3 ALA A 72 0.953 11.041 7.029 1.00 42.32 H new ATOM 1142 N PRO A 73 1.431 11.052 3.322 1.00 45.03 N ATOM 1143 CA PRO A 73 0.508 11.115 2.185 1.00 42.53 C ATOM 1144 C PRO A 73 -0.872 10.566 2.526 1.00 1.04 C ATOM 1145 O PRO A 73 -1.872 10.948 1.919 1.00 73.01 O ATOM 1146 CB PRO A 73 1.186 10.239 1.128 1.00 23.13 C ATOM 1147 CG PRO A 73 2.033 9.293 1.908 1.00 71.01 C ATOM 1148 CD PRO A 73 2.494 10.053 3.121 1.00 11.21 C ATOM 0 HA PRO A 73 0.333 12.141 1.860 1.00 42.53 H new ATOM 0 HB2 PRO A 73 0.451 9.707 0.524 1.00 23.13 H new ATOM 0 HB3 PRO A 73 1.788 10.838 0.444 1.00 23.13 H new ATOM 0 HG2 PRO A 73 1.466 8.407 2.195 1.00 71.01 H new ATOM 0 HG3 PRO A 73 2.882 8.950 1.316 1.00 71.01 H new ATOM 0 HD2 PRO A 73 2.601 9.400 3.987 1.00 11.21 H new ATOM 0 HD3 PRO A 73 3.463 10.525 2.956 1.00 11.21 H new ATOM 1156 N PHE A 74 -0.921 9.666 3.505 1.00 42.45 N ATOM 1157 CA PHE A 74 -2.179 9.063 3.927 1.00 1.32 C ATOM 1158 C PHE A 74 -1.970 8.163 5.140 1.00 23.42 C ATOM 1159 O PHE A 74 -0.846 7.764 5.445 1.00 4.54 O ATOM 1160 CB PHE A 74 -2.795 8.259 2.781 1.00 51.43 C ATOM 1161 CG PHE A 74 -2.242 6.868 2.659 1.00 1.32 C ATOM 1162 CD1 PHE A 74 -0.873 6.655 2.597 1.00 35.14 C ATOM 1163 CD2 PHE A 74 -3.089 5.773 2.607 1.00 3.12 C ATOM 1164 CE1 PHE A 74 -0.362 5.376 2.486 1.00 42.23 C ATOM 1165 CE2 PHE A 74 -2.583 4.492 2.496 1.00 32.22 C ATOM 1166 CZ PHE A 74 -1.218 4.293 2.436 1.00 22.20 C ATOM 0 H PHE A 74 -0.103 9.339 4.020 1.00 42.45 H new ATOM 0 HA PHE A 74 -2.862 9.866 4.205 1.00 1.32 H new ATOM 0 HB2 PHE A 74 -3.874 8.201 2.927 1.00 51.43 H new ATOM 0 HB3 PHE A 74 -2.629 8.791 1.844 1.00 51.43 H new ATOM 0 HD1 PHE A 74 -0.199 7.498 2.636 1.00 35.14 H new ATOM 0 HD2 PHE A 74 -4.158 5.922 2.654 1.00 3.12 H new ATOM 0 HE1 PHE A 74 0.706 5.223 2.438 1.00 42.23 H new ATOM 0 HE2 PHE A 74 -3.255 3.647 2.456 1.00 32.22 H new ATOM 0 HZ PHE A 74 -0.820 3.293 2.350 1.00 22.20 H new ATOM 1176 N ASP A 75 -3.060 7.845 5.830 1.00 54.44 N ATOM 1177 CA ASP A 75 -2.998 6.991 7.010 1.00 45.05 C ATOM 1178 C ASP A 75 -2.496 5.597 6.645 1.00 4.32 C ATOM 1179 O ASP A 75 -2.964 4.989 5.684 1.00 31.04 O ATOM 1180 CB ASP A 75 -4.374 6.893 7.669 1.00 53.30 C ATOM 1181 CG ASP A 75 -5.492 6.741 6.656 1.00 73.41 C ATOM 1182 OD1 ASP A 75 -5.226 6.221 5.552 1.00 43.10 O ATOM 1183 OD2 ASP A 75 -6.633 7.143 6.966 1.00 31.41 O ATOM 0 H ASP A 75 -3.998 8.166 5.592 1.00 54.44 H new ATOM 0 HA ASP A 75 -2.297 7.438 7.715 1.00 45.05 H new ATOM 0 HB2 ASP A 75 -4.387 6.043 8.351 1.00 53.30 H new ATOM 0 HB3 ASP A 75 -4.550 7.786 8.269 1.00 53.30 H new ATOM 1188 N GLY A 76 -1.537 5.097 7.420 1.00 53.13 N ATOM 1189 CA GLY A 76 -0.985 3.780 7.162 1.00 54.43 C ATOM 1190 C GLY A 76 0.047 3.371 8.194 1.00 40.31 C ATOM 1191 O GLY A 76 0.204 4.031 9.222 1.00 72.41 O ATOM 0 H GLY A 76 -1.133 5.581 8.222 1.00 53.13 H new ATOM 0 HA2 GLY A 76 -1.792 3.047 7.150 1.00 54.43 H new ATOM 0 HA3 GLY A 76 -0.529 3.768 6.172 1.00 54.43 H new ATOM 1195 N THR A 77 0.754 2.279 7.921 1.00 53.32 N ATOM 1196 CA THR A 77 1.775 1.782 8.834 1.00 71.22 C ATOM 1197 C THR A 77 3.168 2.212 8.389 1.00 73.01 C ATOM 1198 O THR A 77 3.576 1.950 7.257 1.00 61.10 O ATOM 1199 CB THR A 77 1.734 0.245 8.940 1.00 51.02 C ATOM 1200 OG1 THR A 77 2.133 -0.167 10.252 1.00 54.44 O ATOM 1201 CG2 THR A 77 2.646 -0.393 7.903 1.00 70.44 C ATOM 0 H THR A 77 0.638 1.722 7.074 1.00 53.32 H new ATOM 0 HA THR A 77 1.560 2.213 9.812 1.00 71.22 H new ATOM 0 HB THR A 77 0.712 -0.083 8.753 1.00 51.02 H new ATOM 0 HG1 THR A 77 2.102 -1.145 10.311 1.00 54.44 H new ATOM 0 HG21 THR A 77 2.601 -1.478 7.997 1.00 70.44 H new ATOM 0 HG22 THR A 77 2.321 -0.101 6.904 1.00 70.44 H new ATOM 0 HG23 THR A 77 3.671 -0.057 8.064 1.00 70.44 H new ATOM 1209 N ILE A 78 3.893 2.872 9.286 1.00 71.40 N ATOM 1210 CA ILE A 78 5.241 3.336 8.985 1.00 52.42 C ATOM 1211 C ILE A 78 6.286 2.327 9.448 1.00 10.23 C ATOM 1212 O ILE A 78 6.200 1.791 10.552 1.00 50.02 O ATOM 1213 CB ILE A 78 5.529 4.697 9.646 1.00 14.05 C ATOM 1214 CG1 ILE A 78 6.811 5.305 9.075 1.00 10.55 C ATOM 1215 CG2 ILE A 78 5.636 4.540 11.156 1.00 44.10 C ATOM 1216 CD1 ILE A 78 6.713 6.794 8.823 1.00 14.41 C ATOM 0 H ILE A 78 3.569 3.097 10.227 1.00 71.40 H new ATOM 0 HA ILE A 78 5.302 3.447 7.902 1.00 52.42 H new ATOM 0 HB ILE A 78 4.702 5.373 9.429 1.00 14.05 H new ATOM 0 HG12 ILE A 78 7.633 5.115 9.765 1.00 10.55 H new ATOM 0 HG13 ILE A 78 7.057 4.802 8.140 1.00 10.55 H new ATOM 0 HG21 ILE A 78 5.840 5.510 11.609 1.00 44.10 H new ATOM 0 HG22 ILE A 78 4.698 4.146 11.548 1.00 44.10 H new ATOM 0 HG23 ILE A 78 6.447 3.851 11.394 1.00 44.10 H new ATOM 0 HD11 ILE A 78 7.658 7.158 8.419 1.00 14.41 H new ATOM 0 HD12 ILE A 78 5.913 6.990 8.109 1.00 14.41 H new ATOM 0 HD13 ILE A 78 6.498 7.308 9.760 1.00 14.41 H new ATOM 1228 N GLY A 79 7.276 2.075 8.597 1.00 32.13 N ATOM 1229 CA GLY A 79 8.326 1.133 8.938 1.00 34.44 C ATOM 1230 C GLY A 79 9.426 1.766 9.767 1.00 71.42 C ATOM 1231 O GLY A 79 9.186 2.723 10.503 1.00 72.41 O ATOM 0 H GLY A 79 7.370 2.506 7.677 1.00 32.13 H new ATOM 0 HA2 GLY A 79 7.895 0.297 9.489 1.00 34.44 H new ATOM 0 HA3 GLY A 79 8.754 0.724 8.023 1.00 34.44 H new ATOM 1235 N ASP A 80 10.635 1.228 9.650 1.00 4.13 N ATOM 1236 CA ASP A 80 11.777 1.745 10.396 1.00 50.42 C ATOM 1237 C ASP A 80 12.631 2.656 9.519 1.00 11.21 C ATOM 1238 O ASP A 80 12.969 2.308 8.389 1.00 65.23 O ATOM 1239 CB ASP A 80 12.627 0.593 10.935 1.00 74.23 C ATOM 1240 CG ASP A 80 13.961 1.063 11.479 1.00 21.21 C ATOM 1241 OD1 ASP A 80 14.013 1.455 12.663 1.00 0.31 O ATOM 1242 OD2 ASP A 80 14.952 1.038 10.721 1.00 43.54 O ATOM 0 H ASP A 80 10.850 0.435 9.046 1.00 4.13 H new ATOM 0 HA ASP A 80 11.397 2.328 11.235 1.00 50.42 H new ATOM 0 HB2 ASP A 80 12.078 0.078 11.723 1.00 74.23 H new ATOM 0 HB3 ASP A 80 12.798 -0.132 10.139 1.00 74.23 H new ATOM 1247 N ALA A 81 12.974 3.827 10.048 1.00 23.20 N ATOM 1248 CA ALA A 81 13.789 4.786 9.315 1.00 52.31 C ATOM 1249 C ALA A 81 14.999 4.110 8.682 1.00 70.11 C ATOM 1250 O ALA A 81 15.875 3.599 9.382 1.00 53.12 O ATOM 1251 CB ALA A 81 14.234 5.913 10.235 1.00 13.42 C ATOM 0 H ALA A 81 12.699 4.133 10.981 1.00 23.20 H new ATOM 0 HA ALA A 81 13.179 5.204 8.514 1.00 52.31 H new ATOM 0 HB1 ALA A 81 14.842 6.622 9.674 1.00 13.42 H new ATOM 0 HB2 ALA A 81 13.358 6.423 10.635 1.00 13.42 H new ATOM 0 HB3 ALA A 81 14.821 5.502 11.056 1.00 13.42 H new ATOM 1257 N LEU A 82 15.043 4.108 7.354 1.00 71.20 N ATOM 1258 CA LEU A 82 16.146 3.492 6.625 1.00 2.51 C ATOM 1259 C LEU A 82 17.306 4.469 6.466 1.00 12.10 C ATOM 1260 O LEU A 82 18.412 4.081 6.089 1.00 53.53 O ATOM 1261 CB LEU A 82 15.673 3.016 5.251 1.00 24.45 C ATOM 1262 CG LEU A 82 15.836 4.012 4.102 1.00 20.33 C ATOM 1263 CD1 LEU A 82 17.218 3.886 3.479 1.00 1.43 C ATOM 1264 CD2 LEU A 82 14.755 3.797 3.054 1.00 13.30 C ATOM 0 H LEU A 82 14.327 4.526 6.760 1.00 71.20 H new ATOM 0 HA LEU A 82 16.494 2.634 7.199 1.00 2.51 H new ATOM 0 HB2 LEU A 82 16.217 2.107 4.997 1.00 24.45 H new ATOM 0 HB3 LEU A 82 14.619 2.747 5.325 1.00 24.45 H new ATOM 0 HG LEU A 82 15.731 5.020 4.502 1.00 20.33 H new ATOM 0 HD11 LEU A 82 17.316 4.602 2.663 1.00 1.43 H new ATOM 0 HD12 LEU A 82 17.977 4.090 4.234 1.00 1.43 H new ATOM 0 HD13 LEU A 82 17.352 2.876 3.093 1.00 1.43 H new ATOM 0 HD21 LEU A 82 14.886 4.514 2.244 1.00 13.30 H new ATOM 0 HD22 LEU A 82 14.829 2.784 2.658 1.00 13.30 H new ATOM 0 HD23 LEU A 82 13.774 3.938 3.508 1.00 13.30 H new ATOM 1276 N VAL A 83 17.047 5.740 6.758 1.00 42.11 N ATOM 1277 CA VAL A 83 18.070 6.774 6.650 1.00 71.14 C ATOM 1278 C VAL A 83 18.369 7.394 8.010 1.00 3.53 C ATOM 1279 O VAL A 83 17.837 6.962 9.032 1.00 51.43 O ATOM 1280 CB VAL A 83 17.643 7.885 5.673 1.00 14.44 C ATOM 1281 CG1 VAL A 83 17.498 7.332 4.264 1.00 52.41 C ATOM 1282 CG2 VAL A 83 16.347 8.533 6.137 1.00 73.43 C ATOM 0 H VAL A 83 16.137 6.078 7.071 1.00 42.11 H new ATOM 0 HA VAL A 83 18.970 6.292 6.268 1.00 71.14 H new ATOM 0 HB VAL A 83 18.420 8.649 5.658 1.00 14.44 H new ATOM 0 HG11 VAL A 83 17.196 8.132 3.588 1.00 52.41 H new ATOM 0 HG12 VAL A 83 18.452 6.920 3.935 1.00 52.41 H new ATOM 0 HG13 VAL A 83 16.742 6.547 4.257 1.00 52.41 H new ATOM 0 HG21 VAL A 83 16.060 9.316 5.435 1.00 73.43 H new ATOM 0 HG22 VAL A 83 15.560 7.780 6.183 1.00 73.43 H new ATOM 0 HG23 VAL A 83 16.491 8.968 7.126 1.00 73.43 H new ATOM 1292 N ASN A 84 19.226 8.410 8.015 1.00 45.45 N ATOM 1293 CA ASN A 84 19.598 9.092 9.250 1.00 61.31 C ATOM 1294 C ASN A 84 19.404 10.599 9.119 1.00 45.12 C ATOM 1295 O ASN A 84 19.210 11.117 8.019 1.00 45.41 O ATOM 1296 CB ASN A 84 21.052 8.781 9.610 1.00 2.22 C ATOM 1297 CG ASN A 84 21.189 7.502 10.412 1.00 34.01 C ATOM 1298 OD1 ASN A 84 21.353 7.535 11.632 1.00 51.40 O ATOM 1299 ND2 ASN A 84 21.122 6.365 9.729 1.00 14.14 N ATOM 0 H ASN A 84 19.676 8.779 7.178 1.00 45.45 H new ATOM 0 HA ASN A 84 18.949 8.729 10.047 1.00 61.31 H new ATOM 0 HB2 ASN A 84 21.640 8.698 8.696 1.00 2.22 H new ATOM 0 HB3 ASN A 84 21.467 9.611 10.182 1.00 2.22 H new ATOM 0 HD21 ASN A 84 21.207 5.472 10.215 1.00 14.14 H new ATOM 0 HD22 ASN A 84 20.985 6.384 8.718 1.00 14.14 H new ATOM 1306 N ILE A 85 19.459 11.297 10.248 1.00 14.12 N ATOM 1307 CA ILE A 85 19.291 12.744 10.259 1.00 4.54 C ATOM 1308 C ILE A 85 20.544 13.447 9.746 1.00 64.12 C ATOM 1309 O ILE A 85 21.657 12.942 9.894 1.00 34.00 O ATOM 1310 CB ILE A 85 18.969 13.263 11.673 1.00 3.33 C ATOM 1311 CG1 ILE A 85 17.621 12.716 12.146 1.00 14.43 C ATOM 1312 CG2 ILE A 85 18.966 14.784 11.692 1.00 52.41 C ATOM 1313 CD1 ILE A 85 17.213 13.215 13.515 1.00 54.24 C ATOM 0 H ILE A 85 19.619 10.884 11.167 1.00 14.12 H new ATOM 0 HA ILE A 85 18.454 12.969 9.598 1.00 4.54 H new ATOM 0 HB ILE A 85 19.742 12.913 12.357 1.00 3.33 H new ATOM 0 HG12 ILE A 85 16.853 12.992 11.424 1.00 14.43 H new ATOM 0 HG13 ILE A 85 17.666 11.627 12.164 1.00 14.43 H new ATOM 0 HG21 ILE A 85 18.737 15.135 12.698 1.00 52.41 H new ATOM 0 HG22 ILE A 85 19.947 15.154 11.394 1.00 52.41 H new ATOM 0 HG23 ILE A 85 18.212 15.155 10.998 1.00 52.41 H new ATOM 0 HD11 ILE A 85 16.248 12.787 13.786 1.00 54.24 H new ATOM 0 HD12 ILE A 85 17.961 12.916 14.249 1.00 54.24 H new ATOM 0 HD13 ILE A 85 17.135 14.302 13.498 1.00 54.24 H new ATOM 1325 N GLY A 86 20.355 14.616 9.143 1.00 1.35 N ATOM 1326 CA GLY A 86 21.479 15.371 8.618 1.00 0.14 C ATOM 1327 C GLY A 86 21.921 14.878 7.255 1.00 52.13 C ATOM 1328 O GLY A 86 22.905 15.367 6.699 1.00 53.21 O ATOM 0 H GLY A 86 19.444 15.054 9.008 1.00 1.35 H new ATOM 0 HA2 GLY A 86 21.205 16.424 8.549 1.00 0.14 H new ATOM 0 HA3 GLY A 86 22.315 15.304 9.314 1.00 0.14 H new ATOM 1332 N ASP A 87 21.194 13.907 6.714 1.00 54.14 N ATOM 1333 CA ASP A 87 21.517 13.348 5.406 1.00 73.14 C ATOM 1334 C ASP A 87 20.835 14.138 4.294 1.00 52.52 C ATOM 1335 O ASP A 87 19.617 14.319 4.303 1.00 4.21 O ATOM 1336 CB ASP A 87 21.094 11.879 5.337 1.00 74.20 C ATOM 1337 CG ASP A 87 22.271 10.948 5.118 1.00 75.43 C ATOM 1338 OD1 ASP A 87 23.229 11.356 4.430 1.00 45.21 O ATOM 1339 OD2 ASP A 87 22.232 9.812 5.635 1.00 53.30 O ATOM 0 H ASP A 87 20.377 13.490 7.161 1.00 54.14 H new ATOM 0 HA ASP A 87 22.596 13.415 5.266 1.00 73.14 H new ATOM 0 HB2 ASP A 87 20.586 11.606 6.262 1.00 74.20 H new ATOM 0 HB3 ASP A 87 20.375 11.748 4.528 1.00 74.20 H new ATOM 1344 N TYR A 88 21.628 14.608 3.337 1.00 5.22 N ATOM 1345 CA TYR A 88 21.102 15.382 2.219 1.00 5.22 C ATOM 1346 C TYR A 88 20.211 14.521 1.332 1.00 72.14 C ATOM 1347 O TYR A 88 20.665 13.543 0.737 1.00 54.43 O ATOM 1348 CB TYR A 88 22.249 15.969 1.393 1.00 23.14 C ATOM 1349 CG TYR A 88 21.793 16.937 0.325 1.00 33.03 C ATOM 1350 CD1 TYR A 88 21.238 16.480 -0.864 1.00 3.51 C ATOM 1351 CD2 TYR A 88 21.915 18.310 0.507 1.00 64.42 C ATOM 1352 CE1 TYR A 88 20.821 17.361 -1.842 1.00 65.22 C ATOM 1353 CE2 TYR A 88 21.500 19.198 -0.466 1.00 74.02 C ATOM 1354 CZ TYR A 88 20.953 18.719 -1.638 1.00 43.43 C ATOM 1355 OH TYR A 88 20.538 19.600 -2.610 1.00 11.01 O ATOM 0 H TYR A 88 22.638 14.466 3.313 1.00 5.22 H new ATOM 0 HA TYR A 88 20.501 16.196 2.625 1.00 5.22 H new ATOM 0 HB2 TYR A 88 22.943 16.479 2.061 1.00 23.14 H new ATOM 0 HB3 TYR A 88 22.800 15.155 0.922 1.00 23.14 H new ATOM 0 HD1 TYR A 88 21.131 15.418 -1.026 1.00 3.51 H new ATOM 0 HD2 TYR A 88 22.341 18.688 1.424 1.00 64.42 H new ATOM 0 HE1 TYR A 88 20.394 16.989 -2.762 1.00 65.22 H new ATOM 0 HE2 TYR A 88 21.603 20.262 -0.310 1.00 74.02 H new ATOM 0 HH TYR A 88 20.700 20.519 -2.309 1.00 11.01 H new ATOM 1365 N VAL A 89 18.936 14.891 1.247 1.00 64.30 N ATOM 1366 CA VAL A 89 17.979 14.155 0.431 1.00 63.50 C ATOM 1367 C VAL A 89 17.872 14.753 -0.967 1.00 2.32 C ATOM 1368 O VAL A 89 18.371 15.850 -1.223 1.00 75.43 O ATOM 1369 CB VAL A 89 16.582 14.141 1.080 1.00 50.53 C ATOM 1370 CG1 VAL A 89 16.511 13.089 2.176 1.00 2.12 C ATOM 1371 CG2 VAL A 89 16.236 15.518 1.627 1.00 2.12 C ATOM 0 H VAL A 89 18.543 15.697 1.734 1.00 64.30 H new ATOM 0 HA VAL A 89 18.348 13.132 0.357 1.00 63.50 H new ATOM 0 HB VAL A 89 15.848 13.883 0.316 1.00 50.53 H new ATOM 0 HG11 VAL A 89 15.516 13.095 2.622 1.00 2.12 H new ATOM 0 HG12 VAL A 89 16.712 12.106 1.750 1.00 2.12 H new ATOM 0 HG13 VAL A 89 17.254 13.311 2.942 1.00 2.12 H new ATOM 0 HG21 VAL A 89 15.246 15.490 2.082 1.00 2.12 H new ATOM 0 HG22 VAL A 89 16.972 15.807 2.377 1.00 2.12 H new ATOM 0 HG23 VAL A 89 16.242 16.244 0.814 1.00 2.12 H new ATOM 1381 N SER A 90 17.220 14.027 -1.868 1.00 22.40 N ATOM 1382 CA SER A 90 17.051 14.484 -3.242 1.00 12.02 C ATOM 1383 C SER A 90 15.644 14.176 -3.748 1.00 42.12 C ATOM 1384 O SER A 90 15.377 13.081 -4.243 1.00 42.23 O ATOM 1385 CB SER A 90 18.089 13.826 -4.153 1.00 54.14 C ATOM 1386 OG SER A 90 19.092 14.751 -4.534 1.00 61.24 O ATOM 0 H SER A 90 16.800 13.119 -1.671 1.00 22.40 H new ATOM 0 HA SER A 90 17.196 15.564 -3.260 1.00 12.02 H new ATOM 0 HB2 SER A 90 18.546 12.981 -3.638 1.00 54.14 H new ATOM 0 HB3 SER A 90 17.598 13.430 -5.042 1.00 54.14 H new ATOM 0 HG SER A 90 19.744 14.306 -5.114 1.00 61.24 H new ATOM 1392 N ALA A 91 14.749 15.149 -3.620 1.00 12.25 N ATOM 1393 CA ALA A 91 13.372 14.984 -4.066 1.00 32.34 C ATOM 1394 C ALA A 91 12.827 13.615 -3.672 1.00 23.03 C ATOM 1395 O ALA A 91 13.291 13.007 -2.707 1.00 71.23 O ATOM 1396 CB ALA A 91 13.277 15.179 -5.572 1.00 11.23 C ATOM 0 H ALA A 91 14.953 16.061 -3.211 1.00 12.25 H new ATOM 0 HA ALA A 91 12.764 15.743 -3.574 1.00 32.34 H new ATOM 0 HB1 ALA A 91 12.242 15.053 -5.891 1.00 11.23 H new ATOM 0 HB2 ALA A 91 13.617 16.182 -5.831 1.00 11.23 H new ATOM 0 HB3 ALA A 91 13.904 14.442 -6.075 1.00 11.23 H new ATOM 1402 N SER A 92 11.842 13.135 -4.424 1.00 40.50 N ATOM 1403 CA SER A 92 11.232 11.840 -4.151 1.00 42.42 C ATOM 1404 C SER A 92 12.205 10.706 -4.461 1.00 2.10 C ATOM 1405 O SER A 92 11.916 9.536 -4.205 1.00 5.32 O ATOM 1406 CB SER A 92 9.955 11.670 -4.975 1.00 10.53 C ATOM 1407 OG SER A 92 10.069 12.313 -6.232 1.00 41.52 O ATOM 0 H SER A 92 11.449 13.625 -5.228 1.00 40.50 H new ATOM 0 HA SER A 92 10.980 11.801 -3.091 1.00 42.42 H new ATOM 0 HB2 SER A 92 9.753 10.609 -5.123 1.00 10.53 H new ATOM 0 HB3 SER A 92 9.108 12.083 -4.428 1.00 10.53 H new ATOM 0 HG SER A 92 9.240 12.188 -6.740 1.00 41.52 H new ATOM 1413 N THR A 93 13.361 11.060 -5.014 1.00 64.02 N ATOM 1414 CA THR A 93 14.377 10.073 -5.361 1.00 14.23 C ATOM 1415 C THR A 93 15.022 9.487 -4.111 1.00 3.44 C ATOM 1416 O THR A 93 15.580 8.390 -4.143 1.00 42.25 O ATOM 1417 CB THR A 93 15.473 10.687 -6.253 1.00 62.32 C ATOM 1418 OG1 THR A 93 14.881 11.309 -7.398 1.00 42.30 O ATOM 1419 CG2 THR A 93 16.463 9.621 -6.702 1.00 13.20 C ATOM 0 H THR A 93 13.617 12.023 -5.231 1.00 64.02 H new ATOM 0 HA THR A 93 13.873 9.279 -5.912 1.00 14.23 H new ATOM 0 HB THR A 93 16.009 11.437 -5.671 1.00 62.32 H new ATOM 0 HG1 THR A 93 15.584 11.698 -7.959 1.00 42.30 H new ATOM 0 HG21 THR A 93 17.228 10.077 -7.331 1.00 13.20 H new ATOM 0 HG22 THR A 93 16.933 9.170 -5.828 1.00 13.20 H new ATOM 0 HG23 THR A 93 15.938 8.852 -7.269 1.00 13.20 H new ATOM 1427 N THR A 94 14.944 10.227 -3.008 1.00 25.43 N ATOM 1428 CA THR A 94 15.522 9.779 -1.746 1.00 40.34 C ATOM 1429 C THR A 94 14.443 9.270 -0.797 1.00 43.32 C ATOM 1430 O THR A 94 13.959 10.009 0.059 1.00 21.13 O ATOM 1431 CB THR A 94 16.305 10.911 -1.055 1.00 5.30 C ATOM 1432 OG1 THR A 94 17.453 11.261 -1.837 1.00 5.31 O ATOM 1433 CG2 THR A 94 16.744 10.493 0.340 1.00 71.32 C ATOM 0 H THR A 94 14.487 11.138 -2.963 1.00 25.43 H new ATOM 0 HA THR A 94 16.207 8.965 -1.983 1.00 40.34 H new ATOM 0 HB THR A 94 15.648 11.776 -0.968 1.00 5.30 H new ATOM 0 HG1 THR A 94 18.165 11.584 -1.246 1.00 5.31 H new ATOM 0 HG21 THR A 94 17.295 11.309 0.808 1.00 71.32 H new ATOM 0 HG22 THR A 94 15.867 10.256 0.942 1.00 71.32 H new ATOM 0 HG23 THR A 94 17.385 9.614 0.272 1.00 71.32 H new ATOM 1441 N GLU A 95 14.072 8.004 -0.956 1.00 62.42 N ATOM 1442 CA GLU A 95 13.049 7.397 -0.112 1.00 11.10 C ATOM 1443 C GLU A 95 13.612 7.055 1.265 1.00 4.12 C ATOM 1444 O GLU A 95 14.378 6.102 1.416 1.00 41.42 O ATOM 1445 CB GLU A 95 12.491 6.136 -0.774 1.00 10.30 C ATOM 1446 CG GLU A 95 13.566 5.194 -1.291 1.00 70.13 C ATOM 1447 CD GLU A 95 13.194 3.734 -1.121 1.00 52.33 C ATOM 1448 OE1 GLU A 95 12.084 3.352 -1.548 1.00 44.24 O ATOM 1449 OE2 GLU A 95 14.010 2.974 -0.560 1.00 10.32 O ATOM 0 H GLU A 95 14.464 7.379 -1.660 1.00 62.42 H new ATOM 0 HA GLU A 95 12.243 8.120 0.013 1.00 11.10 H new ATOM 0 HB2 GLU A 95 11.868 5.604 -0.055 1.00 10.30 H new ATOM 0 HB3 GLU A 95 11.845 6.426 -1.602 1.00 10.30 H new ATOM 0 HG2 GLU A 95 13.746 5.399 -2.346 1.00 70.13 H new ATOM 0 HG3 GLU A 95 14.500 5.391 -0.764 1.00 70.13 H new ATOM 1456 N LEU A 96 13.229 7.840 2.266 1.00 63.25 N ATOM 1457 CA LEU A 96 13.695 7.621 3.631 1.00 10.51 C ATOM 1458 C LEU A 96 12.885 6.525 4.314 1.00 33.14 C ATOM 1459 O LEU A 96 13.437 5.675 5.013 1.00 63.41 O ATOM 1460 CB LEU A 96 13.600 8.918 4.437 1.00 40.20 C ATOM 1461 CG LEU A 96 12.238 9.614 4.432 1.00 44.35 C ATOM 1462 CD1 LEU A 96 11.959 10.250 5.785 1.00 44.23 C ATOM 1463 CD2 LEU A 96 12.178 10.659 3.326 1.00 34.54 C ATOM 0 H LEU A 96 12.597 8.634 2.158 1.00 63.25 H new ATOM 0 HA LEU A 96 14.737 7.303 3.586 1.00 10.51 H new ATOM 0 HB2 LEU A 96 13.871 8.701 5.470 1.00 40.20 H new ATOM 0 HB3 LEU A 96 14.344 9.616 4.053 1.00 40.20 H new ATOM 0 HG LEU A 96 11.469 8.866 4.240 1.00 44.35 H new ATOM 0 HD11 LEU A 96 10.986 10.741 5.763 1.00 44.23 H new ATOM 0 HD12 LEU A 96 11.960 9.480 6.556 1.00 44.23 H new ATOM 0 HD13 LEU A 96 12.731 10.986 6.007 1.00 44.23 H new ATOM 0 HD21 LEU A 96 11.202 11.145 3.337 1.00 34.54 H new ATOM 0 HD22 LEU A 96 12.956 11.405 3.488 1.00 34.54 H new ATOM 0 HD23 LEU A 96 12.333 10.177 2.361 1.00 34.54 H new ATOM 1475 N VAL A 97 11.572 6.549 4.107 1.00 44.23 N ATOM 1476 CA VAL A 97 10.686 5.554 4.700 1.00 52.24 C ATOM 1477 C VAL A 97 9.447 5.339 3.837 1.00 64.14 C ATOM 1478 O VAL A 97 9.279 5.982 2.801 1.00 13.23 O ATOM 1479 CB VAL A 97 10.245 5.969 6.116 1.00 5.23 C ATOM 1480 CG1 VAL A 97 11.456 6.285 6.980 1.00 0.54 C ATOM 1481 CG2 VAL A 97 9.300 7.158 6.053 1.00 54.50 C ATOM 0 H VAL A 97 11.098 7.247 3.533 1.00 44.23 H new ATOM 0 HA VAL A 97 11.250 4.623 4.761 1.00 52.24 H new ATOM 0 HB VAL A 97 9.711 5.135 6.571 1.00 5.23 H new ATOM 0 HG11 VAL A 97 11.126 6.576 7.977 1.00 0.54 H new ATOM 0 HG12 VAL A 97 12.092 5.403 7.052 1.00 0.54 H new ATOM 0 HG13 VAL A 97 12.020 7.103 6.531 1.00 0.54 H new ATOM 0 HG21 VAL A 97 8.999 7.437 7.063 1.00 54.50 H new ATOM 0 HG22 VAL A 97 9.805 8.000 5.579 1.00 54.50 H new ATOM 0 HG23 VAL A 97 8.417 6.891 5.472 1.00 54.50 H new ATOM 1491 N ARG A 98 8.583 4.427 4.271 1.00 11.31 N ATOM 1492 CA ARG A 98 7.359 4.125 3.538 1.00 4.32 C ATOM 1493 C ARG A 98 6.232 3.748 4.495 1.00 75.12 C ATOM 1494 O ARG A 98 6.469 3.165 5.552 1.00 25.53 O ATOM 1495 CB ARG A 98 7.602 2.987 2.546 1.00 73.21 C ATOM 1496 CG ARG A 98 6.383 2.109 2.315 1.00 30.30 C ATOM 1497 CD ARG A 98 6.617 1.115 1.189 1.00 71.01 C ATOM 1498 NE ARG A 98 5.893 -0.135 1.403 1.00 63.50 N ATOM 1499 CZ ARG A 98 5.607 -0.995 0.431 1.00 24.12 C ATOM 1500 NH1 ARG A 98 5.983 -0.741 -0.815 1.00 22.43 N ATOM 1501 NH2 ARG A 98 4.944 -2.112 0.705 1.00 2.43 N ATOM 0 H ARG A 98 8.708 3.885 5.126 1.00 11.31 H new ATOM 0 HA ARG A 98 7.063 5.019 2.989 1.00 4.32 H new ATOM 0 HB2 ARG A 98 7.921 3.409 1.593 1.00 73.21 H new ATOM 0 HB3 ARG A 98 8.421 2.368 2.910 1.00 73.21 H new ATOM 0 HG2 ARG A 98 6.142 1.571 3.232 1.00 30.30 H new ATOM 0 HG3 ARG A 98 5.523 2.735 2.077 1.00 30.30 H new ATOM 0 HD2 ARG A 98 6.304 1.558 0.244 1.00 71.01 H new ATOM 0 HD3 ARG A 98 7.684 0.906 1.105 1.00 71.01 H new ATOM 0 HE ARG A 98 5.590 -0.360 2.351 1.00 63.50 H new ATOM 0 HH11 ARG A 98 6.493 0.116 -1.029 1.00 22.43 H new ATOM 0 HH12 ARG A 98 5.762 -1.403 -1.559 1.00 22.43 H new ATOM 0 HH21 ARG A 98 4.654 -2.311 1.662 1.00 2.43 H new ATOM 0 HH22 ARG A 98 4.725 -2.771 -0.042 1.00 2.43 H new ATOM 1515 N VAL A 99 5.003 4.086 4.116 1.00 12.42 N ATOM 1516 CA VAL A 99 3.839 3.784 4.940 1.00 72.43 C ATOM 1517 C VAL A 99 2.750 3.097 4.121 1.00 43.34 C ATOM 1518 O VAL A 99 2.282 3.633 3.117 1.00 74.32 O ATOM 1519 CB VAL A 99 3.257 5.058 5.580 1.00 42.11 C ATOM 1520 CG1 VAL A 99 1.856 4.796 6.113 1.00 43.34 C ATOM 1521 CG2 VAL A 99 4.171 5.562 6.686 1.00 40.42 C ATOM 0 H VAL A 99 4.788 4.569 3.244 1.00 12.42 H new ATOM 0 HA VAL A 99 4.176 3.112 5.729 1.00 72.43 H new ATOM 0 HB VAL A 99 3.190 5.831 4.814 1.00 42.11 H new ATOM 0 HG11 VAL A 99 1.461 5.708 6.562 1.00 43.34 H new ATOM 0 HG12 VAL A 99 1.208 4.484 5.294 1.00 43.34 H new ATOM 0 HG13 VAL A 99 1.894 4.008 6.866 1.00 43.34 H new ATOM 0 HG21 VAL A 99 3.745 6.463 7.128 1.00 40.42 H new ATOM 0 HG22 VAL A 99 4.271 4.794 7.453 1.00 40.42 H new ATOM 0 HG23 VAL A 99 5.153 5.791 6.271 1.00 40.42 H new ATOM 1531 N THR A 100 2.352 1.906 4.558 1.00 52.13 N ATOM 1532 CA THR A 100 1.319 1.145 3.865 1.00 4.30 C ATOM 1533 C THR A 100 0.411 0.425 4.856 1.00 42.25 C ATOM 1534 O THR A 100 0.879 -0.341 5.697 1.00 52.31 O ATOM 1535 CB THR A 100 1.933 0.111 2.903 1.00 4.23 C ATOM 1536 OG1 THR A 100 0.898 -0.677 2.305 1.00 10.53 O ATOM 1537 CG2 THR A 100 2.909 -0.797 3.636 1.00 65.11 C ATOM 0 H THR A 100 2.729 1.448 5.388 1.00 52.13 H new ATOM 0 HA THR A 100 0.731 1.860 3.290 1.00 4.30 H new ATOM 0 HB THR A 100 2.475 0.648 2.125 1.00 4.23 H new ATOM 0 HG1 THR A 100 1.297 -1.331 1.693 1.00 10.53 H new ATOM 0 HG21 THR A 100 3.330 -1.519 2.936 1.00 65.11 H new ATOM 0 HG22 THR A 100 3.712 -0.197 4.065 1.00 65.11 H new ATOM 0 HG23 THR A 100 2.386 -1.326 4.432 1.00 65.11 H new ATOM 1545 N ASN A 101 -0.890 0.674 4.747 1.00 10.31 N ATOM 1546 CA ASN A 101 -1.864 0.049 5.634 1.00 70.03 C ATOM 1547 C ASN A 101 -3.266 0.590 5.371 1.00 54.32 C ATOM 1548 O ASN A 101 -4.067 0.745 6.293 1.00 13.13 O ATOM 1549 CB ASN A 101 -1.480 0.285 7.096 1.00 72.32 C ATOM 1550 CG ASN A 101 -2.049 -0.773 8.022 1.00 74.02 C ATOM 1551 OD1 ASN A 101 -2.351 -1.888 7.596 1.00 71.20 O ATOM 1552 ND2 ASN A 101 -2.199 -0.426 9.295 1.00 0.22 N ATOM 0 H ASN A 101 -1.294 1.304 4.054 1.00 10.31 H new ATOM 0 HA ASN A 101 -1.864 -1.023 5.434 1.00 70.03 H new ATOM 0 HB2 ASN A 101 -0.394 0.296 7.186 1.00 72.32 H new ATOM 0 HB3 ASN A 101 -1.836 1.267 7.408 1.00 72.32 H new ATOM 0 HD21 ASN A 101 -2.578 -1.095 9.965 1.00 0.22 H new ATOM 0 HD22 ASN A 101 -1.935 0.510 9.603 1.00 0.22 H new ATOM 1559 N LEU A 102 -3.555 0.876 4.107 1.00 53.45 N ATOM 1560 CA LEU A 102 -4.861 1.400 3.720 1.00 55.42 C ATOM 1561 C LEU A 102 -4.989 1.478 2.202 1.00 33.21 C ATOM 1562 O LEU A 102 -4.092 1.060 1.471 1.00 33.33 O ATOM 1563 CB LEU A 102 -5.078 2.786 4.333 1.00 60.33 C ATOM 1564 CG LEU A 102 -6.319 2.943 5.213 1.00 41.34 C ATOM 1565 CD1 LEU A 102 -5.926 3.024 6.679 1.00 52.40 C ATOM 1566 CD2 LEU A 102 -7.111 4.175 4.801 1.00 15.22 C ATOM 0 H LEU A 102 -2.903 0.754 3.332 1.00 53.45 H new ATOM 0 HA LEU A 102 -5.624 0.719 4.096 1.00 55.42 H new ATOM 0 HB2 LEU A 102 -4.201 3.040 4.928 1.00 60.33 H new ATOM 0 HB3 LEU A 102 -5.136 3.514 3.524 1.00 60.33 H new ATOM 0 HG LEU A 102 -6.952 2.066 5.077 1.00 41.34 H new ATOM 0 HD11 LEU A 102 -6.822 3.136 7.290 1.00 52.40 H new ATOM 0 HD12 LEU A 102 -5.402 2.112 6.966 1.00 52.40 H new ATOM 0 HD13 LEU A 102 -5.272 3.882 6.834 1.00 52.40 H new ATOM 0 HD21 LEU A 102 -7.991 4.272 5.437 1.00 15.22 H new ATOM 0 HD22 LEU A 102 -6.486 5.062 4.908 1.00 15.22 H new ATOM 0 HD23 LEU A 102 -7.424 4.075 3.762 1.00 15.22 H new ATOM 1578 N ASN A 103 -6.111 2.016 1.735 1.00 54.42 N ATOM 1579 CA ASN A 103 -6.357 2.151 0.303 1.00 22.14 C ATOM 1580 C ASN A 103 -5.255 2.970 -0.363 1.00 54.14 C ATOM 1581 O ASN A 103 -4.605 3.807 0.263 1.00 4.34 O ATOM 1582 CB ASN A 103 -7.717 2.807 0.057 1.00 64.30 C ATOM 1583 CG ASN A 103 -8.863 1.987 0.616 1.00 74.41 C ATOM 1584 OD1 ASN A 103 -9.065 0.836 0.229 1.00 63.23 O ATOM 1585 ND2 ASN A 103 -9.623 2.579 1.531 1.00 5.11 N ATOM 0 H ASN A 103 -6.864 2.366 2.327 1.00 54.42 H new ATOM 0 HA ASN A 103 -6.359 1.153 -0.136 1.00 22.14 H new ATOM 0 HB2 ASN A 103 -7.727 3.798 0.511 1.00 64.30 H new ATOM 0 HB3 ASN A 103 -7.862 2.946 -1.014 1.00 64.30 H new ATOM 0 HD21 ASN A 103 -10.410 2.078 1.942 1.00 5.11 H new ATOM 0 HD22 ASN A 103 -9.419 3.535 1.822 1.00 5.11 H new ATOM 1592 N PRO A 104 -5.041 2.726 -1.664 1.00 70.44 N ATOM 1593 CA PRO A 104 -4.021 3.431 -2.444 1.00 44.35 C ATOM 1594 C PRO A 104 -4.379 4.895 -2.678 1.00 41.13 C ATOM 1595 O PRO A 104 -5.121 5.222 -3.605 1.00 2.35 O ATOM 1596 CB PRO A 104 -3.998 2.668 -3.772 1.00 74.13 C ATOM 1597 CG PRO A 104 -5.353 2.058 -3.881 1.00 53.14 C ATOM 1598 CD PRO A 104 -5.780 1.742 -2.474 1.00 23.11 C ATOM 0 HA PRO A 104 -3.059 3.451 -1.932 1.00 44.35 H new ATOM 0 HB2 PRO A 104 -3.796 3.336 -4.609 1.00 74.13 H new ATOM 0 HB3 PRO A 104 -3.219 1.906 -3.777 1.00 74.13 H new ATOM 0 HG2 PRO A 104 -6.053 2.745 -4.356 1.00 53.14 H new ATOM 0 HG3 PRO A 104 -5.327 1.156 -4.493 1.00 53.14 H new ATOM 0 HD2 PRO A 104 -6.858 1.846 -2.348 1.00 23.11 H new ATOM 0 HD3 PRO A 104 -5.524 0.720 -2.196 1.00 23.11 H new ATOM 1606 N ILE A 105 -3.846 5.771 -1.833 1.00 34.33 N ATOM 1607 CA ILE A 105 -4.108 7.200 -1.949 1.00 71.30 C ATOM 1608 C ILE A 105 -3.147 7.857 -2.933 1.00 10.40 C ATOM 1609 O ILE A 105 -1.929 7.712 -2.818 1.00 54.51 O ATOM 1610 CB ILE A 105 -3.993 7.907 -0.586 1.00 24.32 C ATOM 1611 CG1 ILE A 105 -5.108 7.440 0.351 1.00 20.44 C ATOM 1612 CG2 ILE A 105 -4.041 9.416 -0.765 1.00 11.51 C ATOM 1613 CD1 ILE A 105 -6.497 7.759 -0.157 1.00 11.24 C ATOM 0 H ILE A 105 -3.230 5.516 -1.061 1.00 34.33 H new ATOM 0 HA ILE A 105 -5.129 7.304 -2.317 1.00 71.30 H new ATOM 0 HB ILE A 105 -3.034 7.645 -0.138 1.00 24.32 H new ATOM 0 HG12 ILE A 105 -5.022 6.363 0.497 1.00 20.44 H new ATOM 0 HG13 ILE A 105 -4.971 7.906 1.327 1.00 20.44 H new ATOM 0 HG21 ILE A 105 -3.959 9.901 0.208 1.00 11.51 H new ATOM 0 HG22 ILE A 105 -3.214 9.734 -1.400 1.00 11.51 H new ATOM 0 HG23 ILE A 105 -4.985 9.697 -1.232 1.00 11.51 H new ATOM 0 HD11 ILE A 105 -7.237 7.399 0.558 1.00 11.24 H new ATOM 0 HD12 ILE A 105 -6.602 8.837 -0.276 1.00 11.24 H new ATOM 0 HD13 ILE A 105 -6.654 7.271 -1.119 1.00 11.24 H new ATOM 1625 N TYR A 106 -3.701 8.582 -3.899 1.00 23.23 N ATOM 1626 CA TYR A 106 -2.893 9.261 -4.904 1.00 43.32 C ATOM 1627 C TYR A 106 -3.654 10.434 -5.513 1.00 13.24 C ATOM 1628 O TYR A 106 -4.691 10.253 -6.149 1.00 33.23 O ATOM 1629 CB TYR A 106 -2.478 8.282 -6.003 1.00 41.41 C ATOM 1630 CG TYR A 106 -1.326 7.384 -5.612 1.00 40.03 C ATOM 1631 CD1 TYR A 106 -0.014 7.837 -5.675 1.00 21.54 C ATOM 1632 CD2 TYR A 106 -1.551 6.084 -5.178 1.00 70.30 C ATOM 1633 CE1 TYR A 106 1.041 7.020 -5.319 1.00 62.22 C ATOM 1634 CE2 TYR A 106 -0.502 5.260 -4.819 1.00 23.12 C ATOM 1635 CZ TYR A 106 0.792 5.732 -4.891 1.00 43.44 C ATOM 1636 OH TYR A 106 1.840 4.915 -4.534 1.00 0.24 O ATOM 0 H TYR A 106 -4.707 8.714 -4.007 1.00 23.23 H new ATOM 0 HA TYR A 106 -1.999 9.646 -4.414 1.00 43.32 H new ATOM 0 HB2 TYR A 106 -3.335 7.664 -6.270 1.00 41.41 H new ATOM 0 HB3 TYR A 106 -2.202 8.845 -6.894 1.00 41.41 H new ATOM 0 HD1 TYR A 106 0.184 8.845 -6.008 1.00 21.54 H new ATOM 0 HD2 TYR A 106 -2.563 5.711 -5.120 1.00 70.30 H new ATOM 0 HE1 TYR A 106 2.055 7.387 -5.375 1.00 62.22 H new ATOM 0 HE2 TYR A 106 -0.694 4.251 -4.484 1.00 23.12 H new ATOM 0 HH TYR A 106 1.571 4.348 -3.781 1.00 0.24 H new ATOM 1646 N ALA A 107 -3.130 11.639 -5.314 1.00 11.22 N ATOM 1647 CA ALA A 107 -3.757 12.844 -5.845 1.00 33.41 C ATOM 1648 C ALA A 107 -2.801 14.030 -5.791 1.00 41.21 C ATOM 1649 O ALA A 107 -2.986 14.953 -4.998 1.00 52.21 O ATOM 1650 CB ALA A 107 -5.033 13.156 -5.077 1.00 14.33 C ATOM 0 H ALA A 107 -2.272 11.807 -4.788 1.00 11.22 H new ATOM 0 HA ALA A 107 -4.009 12.663 -6.890 1.00 33.41 H new ATOM 0 HB1 ALA A 107 -5.491 14.058 -5.483 1.00 14.33 H new ATOM 0 HB2 ALA A 107 -5.728 12.322 -5.172 1.00 14.33 H new ATOM 0 HB3 ALA A 107 -4.795 13.312 -4.025 1.00 14.33 H new ATOM 1656 N ASP A 108 -1.778 13.999 -6.638 1.00 71.44 N ATOM 1657 CA ASP A 108 -0.793 15.072 -6.688 1.00 32.32 C ATOM 1658 C ASP A 108 -0.854 15.804 -8.025 1.00 42.44 C ATOM 1659 O ASP A 108 -1.762 15.583 -8.825 1.00 11.40 O ATOM 1660 CB ASP A 108 0.613 14.514 -6.462 1.00 63.22 C ATOM 1661 CG ASP A 108 1.222 13.948 -7.730 1.00 72.13 C ATOM 1662 OD1 ASP A 108 0.579 13.084 -8.362 1.00 42.44 O ATOM 1663 OD2 ASP A 108 2.342 14.368 -8.089 1.00 53.55 O ATOM 0 H ASP A 108 -1.610 13.241 -7.300 1.00 71.44 H new ATOM 0 HA ASP A 108 -1.026 15.782 -5.894 1.00 32.32 H new ATOM 0 HB2 ASP A 108 1.256 15.304 -6.075 1.00 63.22 H new ATOM 0 HB3 ASP A 108 0.573 13.734 -5.702 1.00 63.22 H new ATOM 1668 N GLY A 109 0.119 16.679 -8.260 1.00 65.34 N ATOM 1669 CA GLY A 109 0.157 17.432 -9.500 1.00 63.14 C ATOM 1670 C GLY A 109 1.333 17.048 -10.376 1.00 20.22 C ATOM 1671 O GLY A 109 2.439 17.562 -10.204 1.00 74.05 O ATOM 0 H GLY A 109 0.882 16.880 -7.613 1.00 65.34 H new ATOM 0 HA2 GLY A 109 -0.770 17.268 -10.049 1.00 63.14 H new ATOM 0 HA3 GLY A 109 0.209 18.497 -9.273 1.00 63.14 H new ATOM 1675 N SER A 110 1.097 16.139 -11.317 1.00 13.15 N ATOM 1676 CA SER A 110 2.147 15.682 -12.219 1.00 71.34 C ATOM 1677 C SER A 110 2.474 16.750 -13.258 1.00 54.24 C ATOM 1678 O SER A 110 3.638 17.089 -13.474 1.00 12.15 O ATOM 1679 CB SER A 110 1.722 14.389 -12.917 1.00 41.24 C ATOM 1680 OG SER A 110 0.311 14.262 -12.940 1.00 34.21 O ATOM 0 H SER A 110 0.188 15.705 -11.474 1.00 13.15 H new ATOM 0 HA SER A 110 3.042 15.490 -11.627 1.00 71.34 H new ATOM 0 HB2 SER A 110 2.108 14.379 -13.936 1.00 41.24 H new ATOM 0 HB3 SER A 110 2.159 13.533 -12.402 1.00 41.24 H new ATOM 0 HG SER A 110 0.004 13.872 -12.095 1.00 34.21 H new ATOM 1686 N HIS A 111 1.436 17.279 -13.901 1.00 5.13 N ATOM 1687 CA HIS A 111 1.611 18.310 -14.918 1.00 24.15 C ATOM 1688 C HIS A 111 2.198 19.580 -14.309 1.00 20.43 C ATOM 1689 O HIS A 111 1.540 20.267 -13.527 1.00 34.41 O ATOM 1690 CB HIS A 111 0.275 18.623 -15.591 1.00 42.35 C ATOM 1691 CG HIS A 111 0.254 18.308 -17.055 1.00 41.30 C ATOM 1692 ND1 HIS A 111 -0.770 17.611 -17.661 1.00 44.33 N ATOM 1693 CD2 HIS A 111 1.140 18.602 -18.037 1.00 73.42 C ATOM 1694 CE1 HIS A 111 -0.513 17.487 -18.951 1.00 44.42 C ATOM 1695 NE2 HIS A 111 0.640 18.080 -19.205 1.00 1.21 N ATOM 0 H HIS A 111 0.466 17.010 -13.735 1.00 5.13 H new ATOM 0 HA HIS A 111 2.307 17.933 -15.667 1.00 24.15 H new ATOM 0 HB2 HIS A 111 -0.514 18.058 -15.095 1.00 42.35 H new ATOM 0 HB3 HIS A 111 0.046 19.680 -15.452 1.00 42.35 H new ATOM 0 HD2 HIS A 111 2.066 19.145 -17.923 1.00 73.42 H new ATOM 0 HE1 HIS A 111 -1.139 16.986 -19.675 1.00 44.42 H new ATOM 0 HE2 HIS A 111 1.086 18.140 -20.120 1.00 1.21 H new ATOM 1703 N HIS A 112 3.440 19.885 -14.670 1.00 55.40 N ATOM 1704 CA HIS A 112 4.115 21.073 -14.159 1.00 10.42 C ATOM 1705 C HIS A 112 3.619 22.328 -14.869 1.00 2.11 C ATOM 1706 O HIS A 112 3.124 22.262 -15.995 1.00 74.24 O ATOM 1707 CB HIS A 112 5.628 20.940 -14.332 1.00 23.43 C ATOM 1708 CG HIS A 112 6.203 19.729 -13.662 1.00 62.25 C ATOM 1709 ND1 HIS A 112 6.396 19.642 -12.300 1.00 75.33 N ATOM 1710 CD2 HIS A 112 6.626 18.550 -14.176 1.00 43.13 C ATOM 1711 CE1 HIS A 112 6.914 18.463 -12.005 1.00 61.02 C ATOM 1712 NE2 HIS A 112 7.064 17.782 -13.126 1.00 73.33 N ATOM 0 H HIS A 112 4.000 19.326 -15.314 1.00 55.40 H new ATOM 0 HA HIS A 112 3.884 21.163 -13.097 1.00 10.42 H new ATOM 0 HB2 HIS A 112 5.862 20.902 -15.396 1.00 23.43 H new ATOM 0 HB3 HIS A 112 6.111 21.831 -13.931 1.00 23.43 H new ATOM 0 HD2 HIS A 112 6.620 18.267 -15.218 1.00 43.13 H new ATOM 0 HE1 HIS A 112 7.171 18.115 -11.015 1.00 61.02 H new ATOM 0 HE2 HIS A 112 7.444 16.838 -13.200 1.00 73.33 H new ATOM 1720 N HIS A 113 3.754 23.472 -14.205 1.00 45.21 N ATOM 1721 CA HIS A 113 3.320 24.743 -14.773 1.00 31.42 C ATOM 1722 C HIS A 113 4.312 25.237 -15.821 1.00 71.43 C ATOM 1723 O HIS A 113 5.486 25.460 -15.523 1.00 74.45 O ATOM 1724 CB HIS A 113 3.159 25.791 -13.671 1.00 21.20 C ATOM 1725 CG HIS A 113 1.770 25.870 -13.118 1.00 14.10 C ATOM 1726 ND1 HIS A 113 1.020 27.027 -13.133 1.00 31.24 N ATOM 1727 CD2 HIS A 113 0.994 24.928 -12.533 1.00 0.22 C ATOM 1728 CE1 HIS A 113 -0.157 26.793 -12.579 1.00 32.04 C ATOM 1729 NE2 HIS A 113 -0.198 25.527 -12.207 1.00 63.44 N ATOM 0 H HIS A 113 4.161 23.544 -13.272 1.00 45.21 H new ATOM 0 HA HIS A 113 2.356 24.586 -15.257 1.00 31.42 H new ATOM 0 HB2 HIS A 113 3.851 25.563 -12.861 1.00 21.20 H new ATOM 0 HB3 HIS A 113 3.440 26.767 -14.066 1.00 21.20 H new ATOM 0 HD2 HIS A 113 1.262 23.897 -12.356 1.00 0.22 H new ATOM 0 HE1 HIS A 113 -0.950 27.515 -12.452 1.00 32.04 H new ATOM 0 HE2 HIS A 113 -0.987 25.068 -11.751 1.00 63.44 H new ATOM 1737 N HIS A 114 3.833 25.405 -17.050 1.00 1.34 N ATOM 1738 CA HIS A 114 4.678 25.874 -18.142 1.00 51.15 C ATOM 1739 C HIS A 114 3.877 26.724 -19.124 1.00 71.42 C ATOM 1740 O HIS A 114 2.697 27.000 -18.903 1.00 24.13 O ATOM 1741 CB HIS A 114 5.307 24.687 -18.872 1.00 43.43 C ATOM 1742 CG HIS A 114 4.315 23.845 -19.613 1.00 44.22 C ATOM 1743 ND1 HIS A 114 4.433 23.546 -20.954 1.00 43.52 N ATOM 1744 CD2 HIS A 114 3.183 23.235 -19.192 1.00 31.13 C ATOM 1745 CE1 HIS A 114 3.415 22.792 -21.326 1.00 63.35 C ATOM 1746 NE2 HIS A 114 2.642 22.586 -20.276 1.00 13.51 N ATOM 0 H HIS A 114 2.865 25.223 -17.314 1.00 1.34 H new ATOM 0 HA HIS A 114 5.469 26.492 -17.717 1.00 51.15 H new ATOM 0 HB2 HIS A 114 6.053 25.057 -19.575 1.00 43.43 H new ATOM 0 HB3 HIS A 114 5.832 24.063 -18.149 1.00 43.43 H new ATOM 0 HD2 HIS A 114 2.780 23.254 -18.190 1.00 31.13 H new ATOM 0 HE1 HIS A 114 3.244 22.409 -22.321 1.00 63.35 H new ATOM 0 HE2 HIS A 114 1.784 22.035 -20.270 1.00 13.51 H new ATOM 1754 N HIS A 115 4.525 27.135 -20.209 1.00 54.02 N ATOM 1755 CA HIS A 115 3.872 27.954 -21.224 1.00 44.12 C ATOM 1756 C HIS A 115 2.761 27.174 -21.920 1.00 64.12 C ATOM 1757 O HIS A 115 3.018 26.381 -22.826 1.00 42.21 O ATOM 1758 CB HIS A 115 4.894 28.436 -22.254 1.00 42.24 C ATOM 1759 CG HIS A 115 4.423 29.605 -23.065 1.00 34.32 C ATOM 1760 ND1 HIS A 115 3.507 30.523 -22.597 1.00 72.13 N ATOM 1761 CD2 HIS A 115 4.746 30.003 -24.318 1.00 23.44 C ATOM 1762 CE1 HIS A 115 3.286 31.435 -23.528 1.00 62.42 C ATOM 1763 NE2 HIS A 115 4.027 31.141 -24.582 1.00 13.01 N ATOM 0 H HIS A 115 5.501 26.915 -20.408 1.00 54.02 H new ATOM 0 HA HIS A 115 3.429 28.818 -20.729 1.00 44.12 H new ATOM 0 HB2 HIS A 115 5.815 28.709 -21.739 1.00 42.24 H new ATOM 0 HB3 HIS A 115 5.136 27.613 -22.926 1.00 42.24 H new ATOM 0 HD2 HIS A 115 5.441 29.515 -24.986 1.00 23.44 H new ATOM 0 HE1 HIS A 115 2.615 32.277 -23.442 1.00 62.42 H new ATOM 0 HE2 HIS A 115 4.059 31.674 -25.451 1.00 13.01 H new ATOM 1771 N HIS A 116 1.525 27.402 -21.488 1.00 72.44 N ATOM 1772 CA HIS A 116 0.373 26.720 -22.069 1.00 64.21 C ATOM 1773 C HIS A 116 -0.445 27.675 -22.932 1.00 41.33 C ATOM 1774 O HIS A 116 -0.172 27.793 -24.126 1.00 22.13 O ATOM 1775 CB HIS A 116 -0.506 26.129 -20.966 1.00 44.32 C ATOM 1776 CG HIS A 116 -1.620 25.272 -21.484 1.00 55.30 C ATOM 1777 ND1 HIS A 116 -1.408 24.083 -22.150 1.00 14.11 N ATOM 1778 CD2 HIS A 116 -2.962 25.438 -21.429 1.00 21.43 C ATOM 1779 CE1 HIS A 116 -2.572 23.554 -22.483 1.00 14.31 C ATOM 1780 NE2 HIS A 116 -3.531 24.356 -22.056 1.00 14.51 N ATOM 0 H HIS A 116 1.295 28.054 -20.738 1.00 72.44 H new ATOM 0 HA HIS A 116 0.741 25.912 -22.702 1.00 64.21 H new ATOM 0 HB2 HIS A 116 0.116 25.536 -20.295 1.00 44.32 H new ATOM 0 HB3 HIS A 116 -0.928 26.941 -20.374 1.00 44.32 H new ATOM 0 HD2 HIS A 116 -3.487 26.266 -20.977 1.00 21.43 H new ATOM 0 HE1 HIS A 116 -2.715 22.624 -23.014 1.00 14.31 H new ATOM 0 HE2 HIS A 116 -4.532 24.198 -22.173 1.00 14.51 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 14.504 31.605 -2.847 1.00 64.01 C HETATM 1790 N2 B6D A 117 12.872 32.865 -4.188 1.00 73.03 N HETATM 1791 C3 B6D A 117 14.769 31.726 -5.349 1.00 62.05 C HETATM 1792 C4 B6D A 117 16.256 31.354 -5.195 1.00 61.41 C HETATM 1793 C5 B6D A 117 16.486 30.524 -3.915 1.00 44.14 C HETATM 1794 C6 B6D A 117 17.959 30.275 -3.596 1.00 4.34 C HETATM 1795 C7 B6D A 117 12.414 34.126 -4.493 1.00 73.30 C HETATM 1796 C8 B6D A 117 10.886 34.337 -4.356 1.00 41.40 C HETATM 1797 C9 B6D A 117 18.317 29.622 -7.969 1.00 13.50 C HETATM 1798 C2 B6D A 117 14.290 32.486 -4.091 1.00 73.13 C HETATM 1799 O7 B6D A 117 13.130 35.034 -4.873 1.00 23.25 O HETATM 1800 N4 B6D A 117 16.727 30.605 -6.369 1.00 10.13 N HETATM 1801 C10 B6D A 117 18.033 30.568 -6.786 1.00 23.22 C HETATM 1802 O10 B6D A 117 18.932 31.207 -6.264 1.00 64.33 O HETATM 1803 O5 B6D A 117 15.936 31.257 -2.750 1.00 23.04 O HETATM 1804 O3 B6D A 117 14.624 32.591 -6.534 1.00 13.31 O HETATM 0 HN4 B6D A 117 16.039 30.079 -6.908 1.00 10.13 H new HETATM 0 HN2 B6D A 117 12.177 32.139 -4.016 1.00 73.03 H new HETATM 0 H9B B6D A 117 18.051 28.602 -7.691 1.00 13.50 H new HETATM 0 H9A B6D A 117 17.725 29.929 -8.831 1.00 13.50 H new HETATM 0 H9 B6D A 117 19.376 29.665 -8.223 1.00 13.50 H new HETATM 0 H8B B6D A 117 10.363 33.653 -5.024 1.00 41.40 H new HETATM 0 H8A B6D A 117 10.583 34.143 -3.327 1.00 41.40 H new HETATM 0 H8 B6D A 117 10.635 35.364 -4.620 1.00 41.40 H new HETATM 0 H6B B6D A 117 18.423 29.733 -4.420 1.00 4.34 H new HETATM 0 H6A B6D A 117 18.468 31.229 -3.457 1.00 4.34 H new HETATM 0 H6 B6D A 117 18.039 29.685 -2.683 1.00 4.34 H new HETATM 0 H5 B6D A 117 15.997 29.567 -4.097 1.00 44.14 H new HETATM 0 H4 B6D A 117 16.826 32.280 -5.116 1.00 61.41 H new HETATM 0 H3 B6D A 117 14.169 30.824 -5.468 1.00 62.05 H new HETATM 0 H2 B6D A 117 14.875 33.402 -4.010 1.00 73.13 H new HETATM 1821 C1 A2G A 118 13.992 31.953 -7.716 1.00 62.51 C HETATM 1822 C2 A2G A 118 14.611 32.533 -8.997 1.00 71.22 C HETATM 1823 C3 A2G A 118 14.362 34.053 -9.006 1.00 51.03 C HETATM 1824 C4 A2G A 118 12.801 34.359 -9.014 1.00 42.22 C HETATM 1825 C5 A2G A 118 12.128 33.629 -7.871 1.00 24.04 C HETATM 1826 C6 A2G A 118 10.601 33.754 -7.771 1.00 24.20 C HETATM 1827 C7 A2G A 118 16.761 32.333 -10.259 1.00 60.42 C HETATM 1828 C8 A2G A 118 18.263 32.009 -10.146 1.00 34.23 C HETATM 1829 O A2G A 118 12.532 32.197 -7.777 1.00 14.02 O HETATM 1830 O3 A2G A 118 15.027 34.676 -10.111 1.00 21.54 O HETATM 1831 O4 A2G A 118 12.236 33.854 -10.278 1.00 51.35 O HETATM 1832 O6 A2G A 118 10.047 32.640 -7.063 1.00 53.13 O HETATM 1833 O7 A2G A 118 16.283 32.721 -11.313 1.00 4.13 O HETATM 1834 N2 A2G A 118 16.032 32.176 -9.104 1.00 1.33 N HETATM 0 HO3 A2G A 118 15.181 34.013 -10.816 1.00 21.54 H new HETATM 0 HN2 A2G A 118 16.500 31.793 -8.282 1.00 1.33 H new HETATM 0 H8B A2G A 118 18.721 32.662 -9.403 1.00 34.23 H new HETATM 0 H8A A2G A 118 18.389 30.970 -9.843 1.00 34.23 H new HETATM 0 H8 A2G A 118 18.743 32.166 -11.112 1.00 34.23 H new HETATM 0 H6 A2G A 118 10.169 33.807 -8.770 1.00 24.20 H new HETATM 0 H5 A2G A 118 12.512 34.175 -7.009 1.00 24.04 H new HETATM 0 H4 A2G A 118 12.639 35.432 -8.911 1.00 42.22 H new HETATM 0 H3 A2G A 118 14.782 34.478 -8.095 1.00 51.03 H new HETATM 0 H2 A2G A 118 14.139 32.104 -9.881 1.00 71.22 H new HETATM 0 H15 A2G A 118 10.725 31.937 -6.977 1.00 53.13 H new HETATM 0 H14 A2G A 118 10.340 34.681 -7.261 1.00 24.20 H new HETATM 1848 C1 A2G A 119 11.229 34.736 -10.923 1.00 1.41 C HETATM 1849 C2 A2G A 119 10.292 33.884 -11.792 1.00 40.42 C HETATM 1850 C3 A2G A 119 11.142 33.166 -12.857 1.00 63.03 C HETATM 1851 C4 A2G A 119 11.874 34.226 -13.790 1.00 12.31 C HETATM 1852 C5 A2G A 119 12.649 35.211 -12.940 1.00 62.42 C HETATM 1853 C6 A2G A 119 13.360 36.353 -13.678 1.00 51.52 C HETATM 1854 C7 A2G A 119 8.177 32.679 -11.218 1.00 21.22 C HETATM 1855 C8 A2G A 119 7.482 31.781 -10.178 1.00 63.51 C HETATM 1856 O A2G A 119 11.852 35.753 -11.805 1.00 34.32 O HETATM 1857 O3 A2G A 119 10.346 32.252 -13.620 1.00 53.33 O HETATM 1858 O4 A2G A 119 10.845 34.973 -14.538 1.00 25.43 O HETATM 1859 O6 A2G A 119 14.417 36.893 -12.877 1.00 34.10 O HETATM 1860 O7 A2G A 119 7.574 33.077 -12.201 1.00 1.53 O HETATM 1861 N2 A2G A 119 9.497 32.964 -10.966 1.00 2.51 N HETATM 0 HO3 A2G A 119 10.908 31.810 -14.290 1.00 53.33 H new HETATM 0 HN2 A2G A 119 9.947 32.516 -10.168 1.00 2.51 H new HETATM 0 H8B A2G A 119 7.998 30.822 -10.122 1.00 63.51 H new HETATM 0 H8A A2G A 119 7.510 32.265 -9.202 1.00 63.51 H new HETATM 0 H8 A2G A 119 6.445 31.619 -10.472 1.00 63.51 H new HETATM 0 H6 A2G A 119 12.643 37.138 -13.920 1.00 51.52 H new HETATM 0 H5 A2G A 119 13.451 34.582 -12.555 1.00 62.42 H new HETATM 0 H4 A2G A 119 12.555 33.709 -14.466 1.00 12.31 H new HETATM 0 H3 A2G A 119 11.909 32.580 -12.350 1.00 63.03 H new HETATM 0 H2 A2G A 119 9.564 34.514 -12.303 1.00 40.42 H new HETATM 0 H15 A2G A 119 14.859 37.619 -13.365 1.00 34.10 H new HETATM 0 H14 A2G A 119 13.763 35.987 -14.622 1.00 51.52 H new HETATM 1875 C1 A2G A 120 11.106 35.134 -15.992 1.00 5.13 C HETATM 1876 C2 A2G A 120 10.457 36.438 -16.481 1.00 51.12 C HETATM 1877 C3 A2G A 120 8.943 36.353 -16.209 1.00 32.14 C HETATM 1878 C4 A2G A 120 8.303 35.136 -17.010 1.00 23.21 C HETATM 1879 C5 A2G A 120 9.059 33.862 -16.699 1.00 64.12 C HETATM 1880 C6 A2G A 120 8.620 32.595 -17.446 1.00 62.02 C HETATM 1881 C7 A2G A 120 12.337 38.065 -16.224 1.00 1.41 C HETATM 1882 C8 A2G A 120 12.789 39.372 -15.544 1.00 72.33 C HETATM 1883 O A2G A 120 10.538 34.025 -16.794 1.00 21.45 O HETATM 1884 O3 A2G A 120 8.294 37.590 -16.524 1.00 10.32 O HETATM 1885 O4 A2G A 120 8.435 35.410 -18.452 1.00 42.03 O HETATM 1886 O6 A2G A 120 9.112 31.422 -16.789 1.00 10.40 O HETATM 1887 O7 A2G A 120 13.052 37.508 -17.041 1.00 52.33 O HETATM 1888 N2 A2G A 120 11.092 37.608 -15.862 1.00 44.51 N HETATM 0 HN2 A2G A 120 10.586 38.105 -15.129 1.00 44.51 H new HETATM 0 H8B A2G A 120 12.087 40.170 -15.786 1.00 72.33 H new HETATM 0 H8A A2G A 120 12.817 39.229 -14.464 1.00 72.33 H new HETATM 0 H8 A2G A 120 13.783 39.643 -15.900 1.00 72.33 H new HETATM 0 H6 A2G A 120 8.989 32.625 -18.471 1.00 62.02 H new HETATM 0 H5 A2G A 120 8.775 33.690 -15.661 1.00 64.12 H new HETATM 0 H4 A2G A 120 7.257 35.021 -16.725 1.00 23.21 H new HETATM 0 H3 A2G A 120 8.792 36.171 -15.145 1.00 32.14 H new HETATM 0 H2 A2G A 120 10.607 36.563 -17.553 1.00 51.12 H new HETATM 0 H15 A2G A 120 8.820 30.625 -17.280 1.00 10.40 H new HETATM 0 H14 A2G A 120 7.532 32.558 -17.500 1.00 62.02 H new HETATM 1901 C1 A2G A 121 7.248 35.065 -19.277 1.00 24.02 C HETATM 1902 C2 A2G A 121 7.705 34.734 -20.707 1.00 44.00 C HETATM 1903 C3 A2G A 121 8.423 35.970 -21.282 1.00 73.23 C HETATM 1904 C4 A2G A 121 7.428 37.210 -21.341 1.00 55.11 C HETATM 1905 C5 A2G A 121 6.804 37.434 -19.980 1.00 54.02 C HETATM 1906 C6 A2G A 121 5.756 38.552 -19.873 1.00 41.13 C HETATM 1907 C7 A2G A 121 8.089 32.318 -21.225 1.00 32.03 C HETATM 1908 C8 A2G A 121 9.127 31.180 -21.235 1.00 71.14 C HETATM 1909 O A2G A 121 6.279 36.182 -19.366 1.00 60.44 O HETATM 1910 O3 A2G A 121 8.987 35.685 -22.566 1.00 72.24 O HETATM 1911 O4 A2G A 121 6.349 36.894 -22.296 1.00 3.12 O HETATM 1912 O6 A2G A 121 4.442 38.040 -20.119 1.00 31.13 O HETATM 1913 O7 A2G A 121 6.962 32.138 -21.656 1.00 65.11 O HETATM 1914 N2 A2G A 121 8.533 33.519 -20.728 1.00 55.53 N HETATM 0 HO3 A2G A 121 9.436 36.485 -22.911 1.00 72.24 H new HETATM 0 HN2 A2G A 121 9.481 33.570 -20.356 1.00 55.53 H new HETATM 0 H8B A2G A 121 9.979 31.470 -21.849 1.00 71.14 H new HETATM 0 H8A A2G A 121 9.463 30.985 -20.217 1.00 71.14 H new HETATM 0 H8 A2G A 121 8.674 30.278 -21.646 1.00 71.14 H new HETATM 0 H6 A2G A 121 5.984 39.341 -20.590 1.00 41.13 H new HETATM 0 H5 A2G A 121 7.659 37.792 -19.407 1.00 54.02 H new HETATM 0 H4 A2G A 121 7.975 38.102 -21.646 1.00 55.11 H new HETATM 0 H3 A2G A 121 9.247 36.232 -20.619 1.00 73.23 H new HETATM 0 H2 A2G A 121 6.848 34.510 -21.342 1.00 44.00 H new HETATM 0 H15 A2G A 121 4.286 37.254 -19.554 1.00 31.13 H new HETATM 0 H14 A2G A 121 5.797 39.001 -18.881 1.00 41.13 H new HETATM 1928 C1 A2G A 122 5.961 38.001 -23.208 1.00 44.42 C HETATM 1929 C2 A2G A 122 4.560 37.723 -23.773 1.00 41.33 C HETATM 1930 C3 A2G A 122 4.604 36.385 -24.535 1.00 72.42 C HETATM 1931 C4 A2G A 122 5.632 36.470 -25.746 1.00 72.45 C HETATM 1932 C5 A2G A 122 6.980 36.941 -25.244 1.00 71.14 C HETATM 1933 C6 A2G A 122 8.077 37.151 -26.297 1.00 63.40 C HETATM 1934 C7 A2G A 122 2.341 38.400 -22.839 1.00 64.35 C HETATM 1935 C8 A2G A 122 1.427 38.354 -21.601 1.00 21.42 C HETATM 1936 O A2G A 122 6.887 38.135 -24.358 1.00 61.53 O HETATM 1937 O3 A2G A 122 3.297 36.004 -24.978 1.00 64.13 O HETATM 1938 O4 A2G A 122 5.128 37.463 -26.713 1.00 31.24 O HETATM 1939 O6 A2G A 122 8.737 35.915 -26.595 1.00 41.31 O HETATM 1940 O7 A2G A 122 1.981 38.963 -23.860 1.00 23.05 O HETATM 1941 N2 A2G A 122 3.547 37.754 -22.710 1.00 62.41 N HETATM 0 HO4 A2G A 122 5.452 38.354 -26.466 1.00 31.24 H new HETATM 0 HO3 A2G A 122 3.350 35.153 -25.461 1.00 64.13 H new HETATM 0 HN2 A2G A 122 3.748 37.273 -21.834 1.00 62.41 H new HETATM 0 H8B A2G A 122 1.195 37.317 -21.358 1.00 21.42 H new HETATM 0 H8A A2G A 122 1.935 38.819 -20.756 1.00 21.42 H new HETATM 0 H8 A2G A 122 0.503 38.893 -21.811 1.00 21.42 H new HETATM 0 H6 A2G A 122 8.803 37.878 -25.933 1.00 63.40 H new HETATM 0 H5 A2G A 122 7.308 36.079 -24.663 1.00 71.14 H new HETATM 0 H4 A2G A 122 5.735 35.488 -26.207 1.00 72.45 H new HETATM 0 H3 A2G A 122 4.953 35.609 -23.854 1.00 72.42 H new HETATM 0 H2 A2G A 122 4.266 38.505 -24.473 1.00 41.33 H new HETATM 0 H15 A2G A 122 9.431 36.069 -27.269 1.00 41.31 H new HETATM 0 H14 A2G A 122 7.641 37.564 -27.206 1.00 63.40 H new HETATM 1955 C2 BGC A 123 6.594 39.303 -16.097 1.00 62.24 C HETATM 1956 C3 BGC A 123 5.112 39.606 -15.798 1.00 32.55 C HETATM 1957 C4 BGC A 123 4.156 38.557 -16.398 1.00 35.25 C HETATM 1958 C5 BGC A 123 4.592 37.131 -16.019 1.00 53.13 C HETATM 1959 C6 BGC A 123 3.726 36.006 -16.604 1.00 41.11 C HETATM 1960 C1 BGC A 123 6.976 37.819 -15.912 1.00 51.14 C HETATM 1961 O2 BGC A 123 7.401 40.075 -15.192 1.00 12.15 O HETATM 1962 O3 BGC A 123 4.798 40.884 -16.381 1.00 21.04 O HETATM 1963 O4 BGC A 123 2.841 38.784 -15.857 1.00 31.30 O HETATM 1964 O5 BGC A 123 5.961 36.953 -16.545 1.00 34.53 O HETATM 1965 O6 BGC A 123 4.138 35.767 -17.959 1.00 12.03 O HETATM 0 H6C2 BGC A 123 3.834 35.098 -16.010 1.00 41.11 H new HETATM 0 H6C1 BGC A 123 2.673 36.284 -16.573 1.00 41.11 H new HETATM 0 HD BGC A 123 2.166 38.508 -16.512 1.00 31.30 H new HETATM 0 HC BGC A 123 3.858 41.101 -16.207 1.00 21.04 H new HETATM 0 HB BGC A 123 8.349 39.896 -15.365 1.00 12.15 H new HETATM 0 H6 BGC A 123 5.096 35.953 -18.047 1.00 12.03 H new HETATM 0 H5 BGC A 123 4.505 37.050 -14.936 1.00 53.13 H new HETATM 0 H4 BGC A 123 4.166 38.652 -17.484 1.00 35.25 H new HETATM 0 H3 BGC A 123 4.978 39.594 -14.716 1.00 32.55 H new HETATM 0 H2 BGC A 123 6.763 39.556 -17.144 1.00 62.24 H new