USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 20:sc= 1.18 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= -0.539 (180deg=-1.01) USER MOD Single : A 11 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.7!) USER MOD Single : A 13 ASN : amide:sc= 0.514 K(o=0.51,f=-3.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.935 X(o=-0.93,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= -0.8 K(o=-0.8,f=-7.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -16:sc= -2.4! USER MOD Single : A 26 THR OG1 : rot -29:sc= 0.641 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.15 F(o=-2.3!,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -1.04 (180deg=-1.2) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 39 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.2!) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.149 USER MOD Single : A 61 THR OG1 : rot -145:sc= -2.2! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 66 THR OG1 : rot -22:sc= -1.15! USER MOD Single : A 68 THR OG1 : rot -71:sc= 0.994 USER MOD Single : A 69 MET CE :methyl 161:sc= -0.267 (180deg=-1.38) USER MOD Single : A 72 ASN : amide:sc= 0.0687 K(o=0.069,f=-0.81) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -150:sc= -0.693 (180deg=-1.36!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 85 LYS NZ :NH3+ 145:sc= -0.0551 (180deg=-1.13) USER MOD Single : A 94 SER OG : rot 180:sc= -1.69 USER MOD Single : A 96 ASN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.3!) USER MOD Single : A 101 THR OG1 : rot -140:sc= 0.977 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -130:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.262 -13.939 3.317 1.00 0.00 N ATOM 2 CA ALA A 1 12.518 -13.319 4.611 1.00 0.00 C ATOM 3 C ALA A 1 12.627 -11.792 4.410 1.00 0.00 C ATOM 4 O ALA A 1 13.595 -11.318 3.865 1.00 0.00 O ATOM 5 CB ALA A 1 13.788 -13.878 5.217 1.00 0.00 C ATOM 0 H1 ALA A 1 12.186 -14.969 3.435 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.373 -13.569 2.924 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.044 -13.722 2.667 1.00 0.00 H new ATOM 0 HA ALA A 1 11.701 -13.536 5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.968 -13.407 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.683 -14.955 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.628 -13.676 4.552 1.00 0.00 H new ATOM 13 N PHE A 2 11.564 -11.123 4.891 1.00 0.00 N ATOM 14 CA PHE A 2 11.515 -9.666 4.784 1.00 0.00 C ATOM 15 C PHE A 2 11.633 -9.182 6.246 1.00 0.00 C ATOM 16 O PHE A 2 11.412 -8.017 6.522 1.00 0.00 O ATOM 17 CB PHE A 2 10.132 -9.252 4.296 1.00 0.00 C ATOM 18 CG PHE A 2 9.771 -9.681 2.886 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.490 -10.587 2.131 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.647 -9.142 2.299 1.00 0.00 C ATOM 21 CE1 PHE A 2 10.027 -10.885 0.850 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.277 -9.514 1.005 1.00 0.00 C ATOM 23 CZ PHE A 2 8.887 -10.311 0.308 1.00 0.00 C ATOM 0 H PHE A 2 10.757 -11.555 5.341 1.00 0.00 H new ATOM 0 HA PHE A 2 12.279 -9.272 4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.389 -9.661 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 2 10.057 -8.166 4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.384 -11.051 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 2 8.048 -8.427 2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.581 -11.595 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.387 -9.065 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.552 -10.558 -0.689 1.00 0.00 H new ATOM 33 N ASP A 3 11.985 -10.177 7.086 1.00 0.00 N ATOM 34 CA ASP A 3 12.132 -9.855 8.476 1.00 0.00 C ATOM 35 C ASP A 3 12.989 -8.668 8.839 1.00 0.00 C ATOM 36 O ASP A 3 14.214 -8.802 8.999 1.00 0.00 O ATOM 37 CB ASP A 3 12.716 -11.122 9.170 1.00 0.00 C ATOM 38 CG ASP A 3 13.986 -11.579 8.487 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.361 -11.017 7.443 1.00 0.00 O ATOM 40 OD2 ASP A 3 14.610 -12.519 9.007 1.00 0.00 O ATOM 0 H ASP A 3 12.159 -11.148 6.826 1.00 0.00 H new ATOM 0 HA ASP A 3 11.138 -9.559 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.921 -10.905 10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.979 -11.925 9.149 1.00 0.00 H new ATOM 45 N GLY A 4 12.347 -7.486 8.983 1.00 0.00 N ATOM 46 CA GLY A 4 13.262 -6.392 9.345 1.00 0.00 C ATOM 47 C GLY A 4 12.572 -5.082 9.004 1.00 0.00 C ATOM 48 O GLY A 4 12.192 -5.009 7.828 1.00 0.00 O ATOM 0 H GLY A 4 11.354 -7.281 8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.504 -6.432 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.202 -6.483 8.800 1.00 0.00 H new ATOM 52 N THR A 5 12.456 -4.181 9.987 1.00 0.00 N ATOM 53 CA THR A 5 11.805 -2.924 9.670 1.00 0.00 C ATOM 54 C THR A 5 12.416 -2.319 8.401 1.00 0.00 C ATOM 55 O THR A 5 13.635 -2.193 8.373 1.00 0.00 O ATOM 56 CB THR A 5 12.250 -1.919 10.767 1.00 0.00 C ATOM 57 OG1 THR A 5 13.634 -1.813 10.873 1.00 0.00 O ATOM 58 CG2 THR A 5 11.625 -2.238 12.119 1.00 0.00 C ATOM 0 H THR A 5 12.784 -4.293 10.946 1.00 0.00 H new ATOM 0 HA THR A 5 10.732 -3.090 9.578 1.00 0.00 H new ATOM 0 HB THR A 5 11.879 -0.946 10.446 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.051 -2.139 10.049 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.963 -1.510 12.857 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.539 -2.194 12.037 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.925 -3.238 12.432 1.00 0.00 H new ATOM 66 N TRP A 6 11.525 -1.990 7.466 1.00 0.00 N ATOM 67 CA TRP A 6 11.812 -1.407 6.199 1.00 0.00 C ATOM 68 C TRP A 6 11.558 0.105 6.184 1.00 0.00 C ATOM 69 O TRP A 6 10.835 0.462 7.084 1.00 0.00 O ATOM 70 CB TRP A 6 10.740 -1.877 5.168 1.00 0.00 C ATOM 71 CG TRP A 6 10.879 -3.310 4.861 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.503 -4.315 5.764 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.366 -4.093 3.736 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.724 -5.488 5.271 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.270 -5.456 3.993 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.881 -3.758 2.521 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.641 -6.431 3.152 1.00 0.00 C ATOM 78 CZ3 TRP A 6 12.263 -4.742 1.649 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.155 -6.091 1.928 1.00 0.00 C ATOM 0 H TRP A 6 10.526 -2.142 7.603 1.00 0.00 H new ATOM 0 HA TRP A 6 12.846 -1.677 5.984 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.743 -1.684 5.564 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.837 -1.296 4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.084 -4.132 6.742 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.518 -6.353 5.770 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.988 -2.719 2.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.537 -7.468 3.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 12.670 -4.448 0.693 1.00 0.00 H new ATOM 0 HH2 TRP A 6 12.461 -6.842 1.215 1.00 0.00 H new ATOM 90 N LYS A 7 12.121 0.823 5.225 1.00 0.00 N ATOM 91 CA LYS A 7 11.898 2.229 5.147 1.00 0.00 C ATOM 92 C LYS A 7 12.129 3.057 6.433 1.00 0.00 C ATOM 93 O LYS A 7 12.476 2.515 7.442 1.00 0.00 O ATOM 94 CB LYS A 7 10.369 2.448 4.853 1.00 0.00 C ATOM 95 CG LYS A 7 10.190 1.652 3.592 1.00 0.00 C ATOM 96 CD LYS A 7 8.888 1.991 2.864 1.00 0.00 C ATOM 97 CE LYS A 7 7.761 2.590 3.654 1.00 0.00 C ATOM 98 NZ LYS A 7 6.480 1.867 3.500 1.00 0.00 N ATOM 0 H LYS A 7 12.730 0.443 4.500 1.00 0.00 H new ATOM 0 HA LYS A 7 12.614 2.564 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.739 2.081 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.125 3.501 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.033 1.837 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.202 0.589 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.130 2.681 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.519 1.076 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.036 2.605 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.623 3.626 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.794 2.225 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.110 2.016 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.634 0.851 3.657 1.00 0.00 H new ATOM 112 N VAL A 8 11.829 4.306 6.104 1.00 0.00 N ATOM 113 CA VAL A 8 11.785 5.453 6.984 1.00 0.00 C ATOM 114 C VAL A 8 12.452 5.230 8.290 1.00 0.00 C ATOM 115 O VAL A 8 12.051 4.604 9.238 1.00 0.00 O ATOM 116 CB VAL A 8 10.235 5.592 7.141 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.716 5.939 8.515 1.00 0.00 C ATOM 118 CG2 VAL A 8 9.693 6.742 6.286 1.00 0.00 C ATOM 0 H VAL A 8 11.594 4.556 5.144 1.00 0.00 H new ATOM 0 HA VAL A 8 12.309 6.329 6.602 1.00 0.00 H new ATOM 0 HB VAL A 8 9.906 4.592 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.628 6.005 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.014 5.166 9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.130 6.897 8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.613 6.814 6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.159 7.677 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.921 6.554 5.237 1.00 0.00 H new ATOM 128 N ASP A 9 13.657 5.847 8.327 1.00 0.00 N ATOM 129 CA ASP A 9 14.458 5.746 9.510 1.00 0.00 C ATOM 130 C ASP A 9 14.856 7.192 9.883 1.00 0.00 C ATOM 131 O ASP A 9 15.941 7.402 10.434 1.00 0.00 O ATOM 132 CB ASP A 9 15.662 4.892 9.189 1.00 0.00 C ATOM 133 CG ASP A 9 16.537 5.614 8.133 1.00 0.00 C ATOM 134 OD1 ASP A 9 16.050 6.201 7.179 1.00 0.00 O ATOM 135 OD2 ASP A 9 17.752 5.574 8.304 1.00 0.00 O ATOM 0 H ASP A 9 14.061 6.395 7.567 1.00 0.00 H new ATOM 0 HA ASP A 9 13.937 5.283 10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.242 4.707 10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.343 3.921 8.811 1.00 0.00 H new ATOM 140 N ARG A 10 13.975 8.148 9.580 1.00 0.00 N ATOM 141 CA ARG A 10 14.321 9.509 9.925 1.00 0.00 C ATOM 142 C ARG A 10 14.466 9.719 11.434 1.00 0.00 C ATOM 143 O ARG A 10 13.577 9.441 12.196 1.00 0.00 O ATOM 144 CB ARG A 10 13.208 10.471 9.482 1.00 0.00 C ATOM 145 CG ARG A 10 12.806 10.342 8.004 1.00 0.00 C ATOM 146 CD ARG A 10 13.875 10.730 6.978 1.00 0.00 C ATOM 147 NE ARG A 10 13.202 11.564 5.996 1.00 0.00 N ATOM 148 CZ ARG A 10 13.854 12.554 5.373 1.00 0.00 C ATOM 149 NH1 ARG A 10 15.147 12.831 5.612 1.00 0.00 N ATOM 150 NH2 ARG A 10 13.215 13.297 4.484 1.00 0.00 N ATOM 0 H ARG A 10 13.073 8.011 9.124 1.00 0.00 H new ATOM 0 HA ARG A 10 15.269 9.703 9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.328 10.298 10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 10 13.534 11.494 9.669 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.511 9.309 7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.925 10.961 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.694 11.270 7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.306 9.845 6.509 1.00 0.00 H new ATOM 0 HE ARG A 10 12.220 11.393 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.670 12.278 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.605 13.595 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.233 13.114 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.704 14.053 4.005 1.00 0.00 H new ATOM 164 N ASN A 11 15.689 10.233 11.751 1.00 0.00 N ATOM 165 CA ASN A 11 16.044 10.509 13.127 1.00 0.00 C ATOM 166 C ASN A 11 14.905 11.337 13.765 1.00 0.00 C ATOM 167 O ASN A 11 14.458 12.242 13.070 1.00 0.00 O ATOM 168 CB ASN A 11 17.309 11.339 13.166 1.00 0.00 C ATOM 169 CG ASN A 11 18.521 10.388 13.214 1.00 0.00 C ATOM 170 OD1 ASN A 11 18.407 9.192 13.423 1.00 0.00 O ATOM 171 ND2 ASN A 11 19.665 11.077 13.000 1.00 0.00 N ATOM 0 H ASN A 11 16.416 10.452 11.070 1.00 0.00 H new ATOM 0 HA ASN A 11 16.197 9.573 13.664 1.00 0.00 H new ATOM 0 HB2 ASN A 11 17.367 11.981 12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 11 17.306 11.992 14.039 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.562 10.591 13.003 1.00 0.00 H new ATOM 0 HD22 ASN A 11 19.631 12.083 12.835 1.00 0.00 H new ATOM 178 N GLU A 12 14.539 10.980 14.995 1.00 0.00 N ATOM 179 CA GLU A 12 13.499 11.623 15.772 1.00 0.00 C ATOM 180 C GLU A 12 13.323 13.102 15.421 1.00 0.00 C ATOM 181 O GLU A 12 13.886 13.978 16.057 1.00 0.00 O ATOM 182 CB GLU A 12 13.942 11.422 17.232 1.00 0.00 C ATOM 183 CG GLU A 12 13.535 10.054 17.748 1.00 0.00 C ATOM 184 CD GLU A 12 14.339 9.693 19.014 1.00 0.00 C ATOM 185 OE1 GLU A 12 15.100 10.505 19.512 1.00 0.00 O ATOM 186 OE2 GLU A 12 14.122 8.556 19.419 1.00 0.00 O ATOM 0 H GLU A 12 14.980 10.205 15.490 1.00 0.00 H new ATOM 0 HA GLU A 12 12.519 11.191 15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.024 11.533 17.305 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.499 12.196 17.859 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.468 10.046 17.973 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.704 9.303 16.976 1.00 0.00 H new ATOM 193 N ASN A 13 12.488 13.262 14.350 1.00 0.00 N ATOM 194 CA ASN A 13 12.201 14.619 13.859 1.00 0.00 C ATOM 195 C ASN A 13 10.957 15.082 14.597 1.00 0.00 C ATOM 196 O ASN A 13 9.945 14.393 14.610 1.00 0.00 O ATOM 197 CB ASN A 13 11.899 14.608 12.353 1.00 0.00 C ATOM 198 CG ASN A 13 10.974 13.469 11.962 1.00 0.00 C ATOM 199 OD1 ASN A 13 11.326 12.318 12.091 1.00 0.00 O ATOM 200 ND2 ASN A 13 9.794 13.895 11.482 1.00 0.00 N ATOM 0 H ASN A 13 12.030 12.504 13.843 1.00 0.00 H new ATOM 0 HA ASN A 13 13.058 15.271 14.027 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.445 15.557 12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.833 14.522 11.797 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.091 13.219 11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.601 14.894 11.416 1.00 0.00 H new ATOM 207 N TYR A 14 11.159 16.277 15.178 1.00 0.00 N ATOM 208 CA TYR A 14 10.073 16.899 15.940 1.00 0.00 C ATOM 209 C TYR A 14 9.715 18.181 15.215 1.00 0.00 C ATOM 210 O TYR A 14 10.159 19.271 15.594 1.00 0.00 O ATOM 211 CB TYR A 14 10.530 17.173 17.382 1.00 0.00 C ATOM 212 CG TYR A 14 9.413 17.091 18.375 1.00 0.00 C ATOM 213 CD1 TYR A 14 8.571 18.155 18.638 1.00 0.00 C ATOM 214 CD2 TYR A 14 9.150 15.944 19.100 1.00 0.00 C ATOM 215 CE1 TYR A 14 7.555 17.989 19.586 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.098 15.910 20.019 1.00 0.00 C ATOM 217 CZ TYR A 14 7.322 16.828 20.290 1.00 0.00 C ATOM 218 OH TYR A 14 6.317 16.703 21.208 1.00 0.00 O ATOM 0 H TYR A 14 12.028 16.810 15.137 1.00 0.00 H new ATOM 0 HA TYR A 14 9.201 16.248 16.006 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.304 16.456 17.654 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.981 18.164 17.432 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.695 19.096 18.122 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.763 15.067 18.955 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.907 18.831 19.780 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.949 14.980 20.548 1.00 0.00 H new ATOM 0 HH TYR A 14 6.331 15.799 21.587 1.00 0.00 H new ATOM 228 N SER A 15 8.895 17.990 14.168 1.00 0.00 N ATOM 229 CA SER A 15 8.467 19.121 13.383 1.00 0.00 C ATOM 230 C SER A 15 6.944 19.143 13.439 1.00 0.00 C ATOM 231 O SER A 15 6.432 19.912 14.259 1.00 0.00 O ATOM 232 CB SER A 15 9.028 18.956 11.957 1.00 0.00 C ATOM 233 OG SER A 15 8.409 19.899 11.141 1.00 0.00 O ATOM 0 H SER A 15 8.533 17.086 13.865 1.00 0.00 H new ATOM 0 HA SER A 15 8.835 20.076 13.758 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.109 19.099 11.953 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.839 17.948 11.587 1.00 0.00 H new ATOM 0 HG SER A 15 8.751 19.815 10.227 1.00 0.00 H new ATOM 239 N GLY A 16 6.339 18.316 12.580 1.00 0.00 N ATOM 240 CA GLY A 16 4.884 18.251 12.551 1.00 0.00 C ATOM 241 C GLY A 16 4.422 16.790 12.592 1.00 0.00 C ATOM 242 O GLY A 16 4.179 16.225 13.654 1.00 0.00 O ATOM 0 H GLY A 16 6.818 17.704 11.919 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.471 18.795 13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.508 18.734 11.649 1.00 0.00 H new ATOM 246 N ALA A 17 4.330 16.254 11.356 1.00 0.00 N ATOM 247 CA ALA A 17 3.905 14.869 11.188 1.00 0.00 C ATOM 248 C ALA A 17 5.166 14.015 11.117 1.00 0.00 C ATOM 249 O ALA A 17 6.059 14.329 10.336 1.00 0.00 O ATOM 250 CB ALA A 17 3.057 14.854 9.921 1.00 0.00 C ATOM 0 H ALA A 17 4.540 16.751 10.490 1.00 0.00 H new ATOM 0 HA ALA A 17 3.304 14.464 12.002 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.702 13.841 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.203 15.520 10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.658 15.191 9.077 1.00 0.00 H new ATOM 256 N HIS A 18 5.206 12.941 11.943 1.00 0.00 N ATOM 257 CA HIS A 18 6.406 12.110 11.896 1.00 0.00 C ATOM 258 C HIS A 18 6.038 10.665 11.562 1.00 0.00 C ATOM 259 O HIS A 18 6.711 10.032 10.732 1.00 0.00 O ATOM 260 CB HIS A 18 7.171 12.252 13.216 1.00 0.00 C ATOM 261 CG HIS A 18 6.183 12.118 14.349 1.00 0.00 C ATOM 262 ND1 HIS A 18 6.025 10.912 14.917 1.00 0.00 N ATOM 263 CD2 HIS A 18 5.390 13.117 14.901 1.00 0.00 C ATOM 264 CE1 HIS A 18 5.106 11.039 15.886 1.00 0.00 C ATOM 265 NE2 HIS A 18 4.686 12.510 15.873 1.00 0.00 N ATOM 0 H HIS A 18 4.478 12.655 12.597 1.00 0.00 H new ATOM 0 HA HIS A 18 7.071 12.445 11.100 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.943 11.487 13.292 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.674 13.218 13.262 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.348 14.157 14.612 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.738 10.263 16.541 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.000 12.949 16.487 1.00 0.00 H new ATOM 274 N ASP A 19 4.967 10.180 12.226 1.00 0.00 N ATOM 275 CA ASP A 19 4.570 8.796 11.948 1.00 0.00 C ATOM 276 C ASP A 19 3.745 8.740 10.657 1.00 0.00 C ATOM 277 O ASP A 19 2.614 9.152 10.626 1.00 0.00 O ATOM 278 CB ASP A 19 3.804 8.235 13.127 1.00 0.00 C ATOM 279 CG ASP A 19 3.542 6.731 12.912 1.00 0.00 C ATOM 280 OD1 ASP A 19 4.208 6.079 12.121 1.00 0.00 O ATOM 281 OD2 ASP A 19 2.631 6.233 13.581 1.00 0.00 O ATOM 0 H ASP A 19 4.402 10.686 12.908 1.00 0.00 H new ATOM 0 HA ASP A 19 5.458 8.180 11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.370 8.387 14.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.859 8.765 13.244 1.00 0.00 H new ATOM 286 N ASN A 20 4.449 8.195 9.655 1.00 0.00 N ATOM 287 CA ASN A 20 3.926 8.011 8.303 1.00 0.00 C ATOM 288 C ASN A 20 3.708 6.512 7.982 1.00 0.00 C ATOM 289 O ASN A 20 2.631 5.977 8.177 1.00 0.00 O ATOM 290 CB ASN A 20 4.837 8.723 7.340 1.00 0.00 C ATOM 291 CG ASN A 20 4.694 10.240 7.562 1.00 0.00 C ATOM 292 OD1 ASN A 20 4.463 10.702 8.662 1.00 0.00 O ATOM 293 ND2 ASN A 20 4.869 10.844 6.388 1.00 0.00 N ATOM 0 H ASN A 20 5.408 7.867 9.767 1.00 0.00 H new ATOM 0 HA ASN A 20 2.935 8.455 8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.870 8.413 7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.579 8.465 6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.814 11.861 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.058 10.290 5.553 1.00 0.00 H new ATOM 300 N LEU A 21 4.819 5.956 7.490 1.00 0.00 N ATOM 301 CA LEU A 21 4.839 4.553 7.122 1.00 0.00 C ATOM 302 C LEU A 21 6.272 4.043 7.475 1.00 0.00 C ATOM 303 O LEU A 21 7.084 4.865 7.845 1.00 0.00 O ATOM 304 CB LEU A 21 4.571 4.280 5.647 1.00 0.00 C ATOM 305 CG LEU A 21 5.260 5.141 4.602 1.00 0.00 C ATOM 306 CD1 LEU A 21 4.750 4.750 3.204 1.00 0.00 C ATOM 307 CD2 LEU A 21 5.021 6.664 4.742 1.00 0.00 C ATOM 0 H LEU A 21 5.698 6.452 7.342 1.00 0.00 H new ATOM 0 HA LEU A 21 4.038 4.045 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.842 3.243 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.496 4.365 5.487 1.00 0.00 H new ATOM 0 HG LEU A 21 6.324 4.956 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.242 5.366 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.973 3.700 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.673 4.907 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.554 7.190 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.954 6.874 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.386 7.002 5.712 1.00 0.00 H new ATOM 319 N LYS A 22 6.362 2.732 7.295 1.00 0.00 N ATOM 320 CA LYS A 22 7.536 1.925 7.516 1.00 0.00 C ATOM 321 C LYS A 22 7.004 0.473 7.282 1.00 0.00 C ATOM 322 O LYS A 22 5.953 0.191 7.816 1.00 0.00 O ATOM 323 CB LYS A 22 7.937 1.796 9.009 1.00 0.00 C ATOM 324 CG LYS A 22 6.942 2.393 10.034 1.00 0.00 C ATOM 325 CD LYS A 22 7.252 2.259 11.508 1.00 0.00 C ATOM 326 CE LYS A 22 8.517 1.447 11.853 1.00 0.00 C ATOM 327 NZ LYS A 22 9.701 2.287 12.049 1.00 0.00 N ATOM 0 H LYS A 22 5.567 2.180 6.972 1.00 0.00 H new ATOM 0 HA LYS A 22 8.349 2.335 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.073 0.739 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.904 2.279 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.837 3.455 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.970 1.933 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.357 3.258 11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.398 1.793 11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.335 0.869 12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.713 0.733 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.519 1.686 12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.896 2.820 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.530 2.951 12.831 1.00 0.00 H new ATOM 341 N LEU A 23 7.810 -0.230 6.525 1.00 0.00 N ATOM 342 CA LEU A 23 7.390 -1.601 6.255 1.00 0.00 C ATOM 343 C LEU A 23 8.141 -2.353 7.395 1.00 0.00 C ATOM 344 O LEU A 23 8.971 -1.595 7.927 1.00 0.00 O ATOM 345 CB LEU A 23 7.541 -2.118 4.873 1.00 0.00 C ATOM 346 CG LEU A 23 6.336 -1.823 3.939 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.794 -2.062 2.474 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.158 -2.756 4.050 1.00 0.00 C ATOM 0 H LEU A 23 8.689 0.079 6.111 1.00 0.00 H new ATOM 0 HA LEU A 23 6.309 -1.736 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.440 -1.685 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.695 -3.196 4.917 1.00 0.00 H new ATOM 0 HG LEU A 23 6.033 -0.814 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.964 -1.861 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.624 -1.396 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.115 -3.097 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.382 -2.447 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.475 -3.772 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.763 -2.724 5.065 1.00 0.00 H new ATOM 360 N THR A 24 7.806 -3.600 7.623 1.00 0.00 N ATOM 361 CA THR A 24 8.348 -4.491 8.626 1.00 0.00 C ATOM 362 C THR A 24 7.535 -5.814 8.509 1.00 0.00 C ATOM 363 O THR A 24 6.626 -6.148 9.237 1.00 0.00 O ATOM 364 CB THR A 24 8.225 -3.998 10.064 1.00 0.00 C ATOM 365 OG1 THR A 24 8.509 -2.633 10.204 1.00 0.00 O ATOM 366 CG2 THR A 24 9.031 -4.833 11.077 1.00 0.00 C ATOM 0 H THR A 24 7.086 -4.058 7.065 1.00 0.00 H new ATOM 0 HA THR A 24 9.417 -4.589 8.435 1.00 0.00 H new ATOM 0 HB THR A 24 7.172 -4.140 10.306 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.973 -2.312 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.894 -4.422 12.077 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.681 -5.865 11.058 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.088 -4.803 10.814 1.00 0.00 H new ATOM 374 N ILE A 25 7.979 -6.536 7.498 1.00 0.00 N ATOM 375 CA ILE A 25 7.277 -7.792 7.320 1.00 0.00 C ATOM 376 C ILE A 25 7.975 -8.875 8.132 1.00 0.00 C ATOM 377 O ILE A 25 9.178 -8.825 8.217 1.00 0.00 O ATOM 378 CB ILE A 25 7.341 -8.028 5.809 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.677 -6.946 4.963 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.688 -9.404 5.496 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.630 -5.967 4.296 1.00 0.00 C ATOM 0 H ILE A 25 8.736 -6.313 6.852 1.00 0.00 H new ATOM 0 HA ILE A 25 6.244 -7.793 7.668 1.00 0.00 H new ATOM 0 HB ILE A 25 8.396 -8.003 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.078 -7.428 4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.989 -6.385 5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.725 -9.588 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.231 -10.192 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.650 -9.398 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.059 -5.239 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.212 -5.449 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.303 -6.509 3.632 1.00 0.00 H new ATOM 393 N THR A 26 7.202 -9.810 8.705 1.00 0.00 N ATOM 394 CA THR A 26 7.969 -10.779 9.452 1.00 0.00 C ATOM 395 C THR A 26 7.108 -12.017 9.696 1.00 0.00 C ATOM 396 O THR A 26 6.521 -12.181 10.744 1.00 0.00 O ATOM 397 CB THR A 26 8.354 -10.233 10.820 1.00 0.00 C ATOM 398 OG1 THR A 26 9.004 -9.008 10.812 1.00 0.00 O ATOM 399 CG2 THR A 26 9.295 -11.261 11.484 1.00 0.00 C ATOM 0 H THR A 26 6.187 -9.906 8.673 1.00 0.00 H new ATOM 0 HA THR A 26 8.865 -11.012 8.876 1.00 0.00 H new ATOM 0 HB THR A 26 7.419 -10.073 11.357 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.507 -8.910 9.977 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.591 -10.900 12.469 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.777 -12.215 11.587 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.182 -11.395 10.865 1.00 0.00 H new ATOM 407 N GLN A 27 7.159 -12.793 8.590 1.00 0.00 N ATOM 408 CA GLN A 27 6.384 -14.011 8.696 1.00 0.00 C ATOM 409 C GLN A 27 6.667 -14.854 9.945 1.00 0.00 C ATOM 410 O GLN A 27 7.802 -14.809 10.373 1.00 0.00 O ATOM 411 CB GLN A 27 6.487 -14.877 7.431 1.00 0.00 C ATOM 412 CG GLN A 27 7.571 -14.488 6.457 1.00 0.00 C ATOM 413 CD GLN A 27 8.989 -14.372 7.034 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.474 -13.179 6.733 1.00 0.00 O flip ATOM 415 NE2 GLN A 27 9.481 -15.289 7.657 1.00 0.00 N flip ATOM 0 H GLN A 27 7.666 -12.618 7.722 1.00 0.00 H new ATOM 0 HA GLN A 27 5.359 -13.657 8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.650 -15.911 7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.529 -14.844 6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.588 -15.222 5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.303 -13.530 6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.955 -16.152 7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.421 -15.197 8.043 1.00 0.00 H new ATOM 424 N GLU A 28 5.617 -15.541 10.420 1.00 0.00 N ATOM 425 CA GLU A 28 5.699 -16.398 11.607 1.00 0.00 C ATOM 426 C GLU A 28 5.030 -17.720 11.154 1.00 0.00 C ATOM 427 O GLU A 28 3.788 -17.772 11.115 1.00 0.00 O ATOM 428 CB GLU A 28 4.948 -15.631 12.677 1.00 0.00 C ATOM 429 CG GLU A 28 4.608 -16.399 13.964 1.00 0.00 C ATOM 430 CD GLU A 28 4.786 -15.478 15.170 1.00 0.00 C ATOM 431 OE1 GLU A 28 5.806 -14.793 15.293 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.843 -15.502 15.962 1.00 0.00 O ATOM 0 H GLU A 28 4.691 -15.517 9.992 1.00 0.00 H new ATOM 0 HA GLU A 28 6.686 -16.636 12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.540 -14.757 12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.018 -15.264 12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.582 -16.765 13.921 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.254 -17.271 14.061 1.00 0.00 H new ATOM 439 N GLY A 29 5.924 -18.671 10.851 1.00 0.00 N ATOM 440 CA GLY A 29 5.246 -19.918 10.426 1.00 0.00 C ATOM 441 C GLY A 29 4.926 -19.560 8.956 1.00 0.00 C ATOM 442 O GLY A 29 5.833 -19.593 8.143 1.00 0.00 O ATOM 0 H GLY A 29 6.943 -18.636 10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.890 -20.793 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.349 -20.125 11.010 1.00 0.00 H new ATOM 446 N ASN A 30 3.631 -19.264 8.832 1.00 0.00 N ATOM 447 CA ASN A 30 3.063 -18.893 7.568 1.00 0.00 C ATOM 448 C ASN A 30 2.227 -17.625 7.744 1.00 0.00 C ATOM 449 O ASN A 30 1.447 -17.292 6.843 1.00 0.00 O ATOM 450 CB ASN A 30 2.133 -19.996 7.039 1.00 0.00 C ATOM 451 CG ASN A 30 2.874 -21.160 6.428 1.00 0.00 C ATOM 452 OD1 ASN A 30 3.735 -21.810 7.055 1.00 0.00 O ATOM 453 ND2 ASN A 30 2.571 -21.491 5.151 1.00 0.00 N ATOM 0 H ASN A 30 2.966 -19.279 9.605 1.00 0.00 H new ATOM 0 HA ASN A 30 3.880 -18.734 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.510 -20.360 7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.462 -19.569 6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.047 -22.273 4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.867 -20.959 4.640 1.00 0.00 H new ATOM 460 N LYS A 31 2.392 -16.948 8.866 1.00 0.00 N ATOM 461 CA LYS A 31 1.567 -15.739 8.992 1.00 0.00 C ATOM 462 C LYS A 31 2.437 -14.754 8.194 1.00 0.00 C ATOM 463 O LYS A 31 3.625 -15.079 8.156 1.00 0.00 O ATOM 464 CB LYS A 31 1.343 -15.300 10.401 1.00 0.00 C ATOM 465 CG LYS A 31 0.467 -16.388 11.038 1.00 0.00 C ATOM 466 CD LYS A 31 -0.814 -15.824 11.628 1.00 0.00 C ATOM 467 CE LYS A 31 -1.436 -16.764 12.647 1.00 0.00 C ATOM 468 NZ LYS A 31 -2.710 -16.256 13.213 1.00 0.00 N ATOM 0 H LYS A 31 3.020 -17.173 9.638 1.00 0.00 H new ATOM 0 HA LYS A 31 0.543 -15.856 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.288 -15.196 10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.849 -14.329 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.219 -17.138 10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.032 -16.895 11.820 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.603 -14.865 12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.529 -15.634 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.615 -17.731 12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.727 -16.930 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.083 -16.942 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.540 -15.347 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.401 -16.123 12.447 1.00 0.00 H new ATOM 482 N PHE A 32 1.905 -13.696 7.630 1.00 0.00 N ATOM 483 CA PHE A 32 2.918 -12.893 6.912 1.00 0.00 C ATOM 484 C PHE A 32 2.142 -11.568 6.986 1.00 0.00 C ATOM 485 O PHE A 32 1.190 -11.477 6.276 1.00 0.00 O ATOM 486 CB PHE A 32 3.133 -13.479 5.540 1.00 0.00 C ATOM 487 CG PHE A 32 4.037 -12.605 4.718 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.739 -11.425 4.123 1.00 0.00 C ATOM 489 CD2 PHE A 32 5.334 -13.034 4.532 1.00 0.00 C ATOM 490 CE1 PHE A 32 4.669 -10.690 3.378 1.00 0.00 C ATOM 491 CE2 PHE A 32 6.218 -12.285 3.785 1.00 0.00 C ATOM 492 CZ PHE A 32 5.933 -11.227 3.259 1.00 0.00 C ATOM 0 H PHE A 32 0.933 -13.386 7.631 1.00 0.00 H new ATOM 0 HA PHE A 32 3.942 -12.825 7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.567 -14.475 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.174 -13.593 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.738 -11.033 4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.660 -13.964 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.409 -9.748 2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.223 -12.660 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.683 -10.699 2.689 1.00 0.00 H new ATOM 502 N THR A 33 2.687 -10.740 7.857 1.00 0.00 N ATOM 503 CA THR A 33 1.998 -9.443 7.995 1.00 0.00 C ATOM 504 C THR A 33 2.953 -8.485 7.329 1.00 0.00 C ATOM 505 O THR A 33 4.162 -8.639 7.458 1.00 0.00 O ATOM 506 CB THR A 33 1.619 -9.194 9.406 1.00 0.00 C ATOM 507 OG1 THR A 33 0.241 -8.933 9.613 1.00 0.00 O ATOM 508 CG2 THR A 33 2.245 -7.913 9.930 1.00 0.00 C ATOM 0 H THR A 33 3.515 -10.900 8.431 1.00 0.00 H new ATOM 0 HA THR A 33 1.024 -9.355 7.514 1.00 0.00 H new ATOM 0 HB THR A 33 1.944 -10.111 9.898 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.076 -8.782 10.567 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.947 -7.760 10.967 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.331 -7.988 9.872 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.907 -7.070 9.327 1.00 0.00 H new ATOM 516 N VAL A 34 2.302 -7.563 6.659 1.00 0.00 N ATOM 517 CA VAL A 34 3.150 -6.569 5.974 1.00 0.00 C ATOM 518 C VAL A 34 2.848 -5.344 6.767 1.00 0.00 C ATOM 519 O VAL A 34 1.722 -5.072 7.163 1.00 0.00 O ATOM 520 CB VAL A 34 2.568 -6.618 4.573 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.896 -5.498 3.637 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.984 -7.894 3.784 1.00 0.00 C ATOM 0 H VAL A 34 1.291 -7.465 6.565 1.00 0.00 H new ATOM 0 HA VAL A 34 4.232 -6.677 5.905 1.00 0.00 H new ATOM 0 HB VAL A 34 1.509 -6.571 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.410 -5.672 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.542 -4.557 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.975 -5.448 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.536 -7.870 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.070 -7.927 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.638 -8.780 4.316 1.00 0.00 H new ATOM 532 N LYS A 35 3.941 -4.593 6.986 1.00 0.00 N ATOM 533 CA LYS A 35 3.802 -3.377 7.739 1.00 0.00 C ATOM 534 C LYS A 35 3.393 -2.186 6.943 1.00 0.00 C ATOM 535 O LYS A 35 3.980 -1.155 6.700 1.00 0.00 O ATOM 536 CB LYS A 35 5.009 -3.054 8.646 1.00 0.00 C ATOM 537 CG LYS A 35 4.656 -1.890 9.602 1.00 0.00 C ATOM 538 CD LYS A 35 5.705 -1.613 10.650 1.00 0.00 C ATOM 539 CE LYS A 35 5.123 -1.535 12.088 1.00 0.00 C ATOM 540 NZ LYS A 35 5.456 -0.288 12.752 1.00 0.00 N ATOM 0 H LYS A 35 4.883 -4.809 6.661 1.00 0.00 H new ATOM 0 HA LYS A 35 2.961 -3.603 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.288 -3.936 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.871 -2.786 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.498 -0.986 9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.712 -2.116 10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.463 -2.396 10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.205 -0.674 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.039 -1.643 12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.503 -2.370 12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.227 -0.361 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.472 -0.096 12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.908 0.488 12.328 1.00 0.00 H new ATOM 554 N GLU A 36 2.151 -2.379 6.441 1.00 0.00 N ATOM 555 CA GLU A 36 1.521 -1.374 5.629 1.00 0.00 C ATOM 556 C GLU A 36 0.938 -0.364 6.652 1.00 0.00 C ATOM 557 O GLU A 36 -0.285 -0.205 6.656 1.00 0.00 O ATOM 558 CB GLU A 36 0.344 -2.038 4.910 1.00 0.00 C ATOM 559 CG GLU A 36 -0.441 -1.084 3.998 1.00 0.00 C ATOM 560 CD GLU A 36 -1.873 -1.665 3.974 1.00 0.00 C ATOM 561 OE1 GLU A 36 -2.617 -1.442 4.921 1.00 0.00 O ATOM 562 OE2 GLU A 36 -2.238 -2.338 3.025 1.00 0.00 O ATOM 0 H GLU A 36 1.591 -3.218 6.595 1.00 0.00 H new ATOM 0 HA GLU A 36 2.196 -0.913 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.717 -2.871 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.335 -2.456 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.432 -0.066 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.011 -1.047 2.997 1.00 0.00 H new ATOM 569 N SER A 37 1.825 0.259 7.450 1.00 0.00 N ATOM 570 CA SER A 37 1.197 1.194 8.397 1.00 0.00 C ATOM 571 C SER A 37 0.893 2.494 7.693 1.00 0.00 C ATOM 572 O SER A 37 1.774 3.020 7.038 1.00 0.00 O ATOM 573 CB SER A 37 2.140 1.337 9.577 1.00 0.00 C ATOM 574 OG SER A 37 2.857 2.563 9.406 1.00 0.00 O ATOM 0 H SER A 37 2.840 0.157 7.468 1.00 0.00 H new ATOM 0 HA SER A 37 0.240 0.832 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.583 1.345 10.514 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.828 0.493 9.623 1.00 0.00 H new ATOM 0 HG SER A 37 3.476 2.687 10.155 1.00 0.00 H new ATOM 580 N SER A 38 -0.376 2.976 7.863 1.00 0.00 N ATOM 581 CA SER A 38 -0.726 4.223 7.216 1.00 0.00 C ATOM 582 C SER A 38 -1.719 5.054 8.019 1.00 0.00 C ATOM 583 O SER A 38 -1.884 4.917 9.227 1.00 0.00 O ATOM 584 CB SER A 38 -1.254 3.823 5.824 1.00 0.00 C ATOM 585 OG SER A 38 -1.078 4.832 4.854 1.00 0.00 O ATOM 0 H SER A 38 -1.113 2.533 8.412 1.00 0.00 H new ATOM 0 HA SER A 38 0.137 4.883 7.135 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.744 2.918 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.314 3.581 5.900 1.00 0.00 H new ATOM 0 HG SER A 38 -1.429 4.523 3.993 1.00 0.00 H new ATOM 591 N ASN A 39 -2.415 5.973 7.300 1.00 0.00 N ATOM 592 CA ASN A 39 -3.394 6.825 7.940 1.00 0.00 C ATOM 593 C ASN A 39 -4.668 6.009 8.224 1.00 0.00 C ATOM 594 O ASN A 39 -5.508 6.459 8.993 1.00 0.00 O ATOM 595 CB ASN A 39 -3.692 7.988 7.014 1.00 0.00 C ATOM 596 CG ASN A 39 -5.069 7.812 6.377 1.00 0.00 C ATOM 597 OD1 ASN A 39 -5.313 7.063 5.450 1.00 0.00 O ATOM 598 ND2 ASN A 39 -6.000 8.607 6.972 1.00 0.00 N ATOM 0 H ASN A 39 -2.304 6.125 6.297 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.015 7.209 8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.657 8.924 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.929 8.050 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.966 8.595 6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.732 9.214 7.747 1.00 0.00 H new ATOM 605 N PHE A 40 -4.693 4.847 7.556 1.00 0.00 N ATOM 606 CA PHE A 40 -5.854 4.056 7.786 1.00 0.00 C ATOM 607 C PHE A 40 -5.480 2.982 8.832 1.00 0.00 C ATOM 608 O PHE A 40 -5.697 1.821 8.593 1.00 0.00 O ATOM 609 CB PHE A 40 -6.276 3.278 6.504 1.00 0.00 C ATOM 610 CG PHE A 40 -6.379 4.099 5.285 1.00 0.00 C ATOM 611 CD1 PHE A 40 -5.330 4.376 4.428 1.00 0.00 C ATOM 612 CD2 PHE A 40 -7.557 4.670 4.893 1.00 0.00 C ATOM 613 CE1 PHE A 40 -5.494 5.166 3.285 1.00 0.00 C ATOM 614 CE2 PHE A 40 -7.637 5.432 3.750 1.00 0.00 C ATOM 615 CZ PHE A 40 -6.735 5.681 3.004 1.00 0.00 C ATOM 0 H PHE A 40 -3.987 4.481 6.918 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.664 4.713 8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.555 2.480 6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.240 2.802 6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.354 3.970 4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.443 4.520 5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.657 5.368 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.604 5.844 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.894 6.296 2.131 1.00 0.00 H new ATOM 625 N ARG A 41 -4.935 3.501 9.940 1.00 0.00 N ATOM 626 CA ARG A 41 -4.515 2.665 11.031 1.00 0.00 C ATOM 627 C ARG A 41 -3.238 1.898 10.674 1.00 0.00 C ATOM 628 O ARG A 41 -2.630 2.326 9.679 1.00 0.00 O ATOM 629 CB ARG A 41 -5.567 1.618 11.409 1.00 0.00 C ATOM 630 CG ARG A 41 -6.991 2.144 11.442 1.00 0.00 C ATOM 631 CD ARG A 41 -7.942 1.484 10.419 1.00 0.00 C ATOM 632 NE ARG A 41 -9.279 1.586 11.004 1.00 0.00 N ATOM 633 CZ ARG A 41 -9.674 0.643 11.894 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.882 -0.367 12.248 1.00 0.00 N ATOM 635 NH2 ARG A 41 -10.861 0.680 12.455 1.00 0.00 N ATOM 0 H ARG A 41 -4.782 4.499 10.088 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.351 3.343 11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.513 0.794 10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.320 1.210 12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.396 1.997 12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.972 3.219 11.261 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.896 1.992 9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.669 0.443 10.244 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.902 2.352 10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.948 -0.447 11.847 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.209 -1.060 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.511 1.431 12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.133 -0.043 13.122 1.00 0.00 H new ATOM 649 N ASN A 42 -2.912 0.859 11.443 1.00 0.00 N ATOM 650 CA ASN A 42 -1.703 0.183 11.045 1.00 0.00 C ATOM 651 C ASN A 42 -2.078 -0.782 9.894 1.00 0.00 C ATOM 652 O ASN A 42 -1.254 -1.038 9.032 1.00 0.00 O ATOM 653 CB ASN A 42 -1.001 -0.501 12.215 1.00 0.00 C ATOM 654 CG ASN A 42 -0.823 0.514 13.353 1.00 0.00 C ATOM 655 OD1 ASN A 42 -0.754 1.720 13.172 1.00 0.00 O ATOM 656 ND2 ASN A 42 -0.744 -0.055 14.559 1.00 0.00 N ATOM 0 H ASN A 42 -3.412 0.503 12.258 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.964 0.900 10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.586 -1.354 12.559 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.032 -0.887 11.899 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.620 0.524 15.389 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.808 -1.069 14.650 1.00 0.00 H new ATOM 663 N ILE A 43 -3.325 -1.179 10.073 1.00 0.00 N ATOM 664 CA ILE A 43 -3.981 -2.100 9.144 1.00 0.00 C ATOM 665 C ILE A 43 -3.009 -3.127 8.652 1.00 0.00 C ATOM 666 O ILE A 43 -2.554 -3.195 7.535 1.00 0.00 O ATOM 667 CB ILE A 43 -4.635 -1.202 8.068 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.252 -1.964 6.923 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.553 -0.321 7.418 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.568 -2.658 7.294 1.00 0.00 C ATOM 0 H ILE A 43 -3.910 -0.881 10.853 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.764 -2.708 9.596 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.411 -0.646 8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.432 -1.279 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.542 -2.712 6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.009 0.314 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.086 0.303 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.797 -0.955 6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.958 -3.188 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.390 -3.368 8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.293 -1.912 7.620 1.00 0.00 H new ATOM 682 N ASP A 44 -2.691 -3.998 9.631 1.00 0.00 N ATOM 683 CA ASP A 44 -1.776 -5.058 9.338 1.00 0.00 C ATOM 684 C ASP A 44 -2.448 -5.986 8.325 1.00 0.00 C ATOM 685 O ASP A 44 -3.442 -6.590 8.696 1.00 0.00 O ATOM 686 CB ASP A 44 -1.448 -5.857 10.597 1.00 0.00 C ATOM 687 CG ASP A 44 -0.490 -5.075 11.498 1.00 0.00 C ATOM 688 OD1 ASP A 44 0.533 -4.595 10.989 1.00 0.00 O ATOM 689 OD2 ASP A 44 -0.756 -4.946 12.705 1.00 0.00 O ATOM 0 H ASP A 44 -3.050 -3.972 10.585 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.849 -4.641 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.366 -6.081 11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.999 -6.811 10.322 1.00 0.00 H new ATOM 694 N VAL A 45 -1.799 -5.974 7.153 1.00 0.00 N ATOM 695 CA VAL A 45 -2.392 -6.852 6.118 1.00 0.00 C ATOM 696 C VAL A 45 -1.954 -8.232 6.661 1.00 0.00 C ATOM 697 O VAL A 45 -0.825 -8.581 6.350 1.00 0.00 O ATOM 698 CB VAL A 45 -1.981 -6.528 4.721 1.00 0.00 C ATOM 699 CG1 VAL A 45 -2.917 -7.054 3.613 1.00 0.00 C ATOM 700 CG2 VAL A 45 -2.062 -5.000 4.445 1.00 0.00 C ATOM 0 H VAL A 45 -0.965 -5.440 6.906 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.471 -6.759 5.990 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.989 -6.979 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.526 -6.763 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.975 -8.141 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.912 -6.630 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.756 -4.799 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.086 -4.658 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.401 -4.471 5.131 1.00 0.00 H new ATOM 710 N VAL A 46 -2.860 -8.861 7.404 1.00 0.00 N ATOM 711 CA VAL A 46 -2.422 -10.139 7.901 1.00 0.00 C ATOM 712 C VAL A 46 -3.166 -11.343 7.381 1.00 0.00 C ATOM 713 O VAL A 46 -4.335 -11.211 7.038 1.00 0.00 O ATOM 714 CB VAL A 46 -2.777 -10.114 9.413 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.234 -10.431 9.716 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.046 -11.150 10.265 1.00 0.00 C ATOM 0 H VAL A 46 -3.798 -8.545 7.650 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.376 -10.246 7.612 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.493 -9.091 9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.398 -10.393 10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.875 -9.699 9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.474 -11.429 9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.360 -11.054 11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.285 -12.151 9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.971 -10.986 10.194 1.00 0.00 H new ATOM 726 N PHE A 47 -2.354 -12.409 7.387 1.00 0.00 N ATOM 727 CA PHE A 47 -2.997 -13.591 6.903 1.00 0.00 C ATOM 728 C PHE A 47 -2.110 -14.812 7.050 1.00 0.00 C ATOM 729 O PHE A 47 -1.071 -14.619 7.701 1.00 0.00 O ATOM 730 CB PHE A 47 -3.222 -13.449 5.364 1.00 0.00 C ATOM 731 CG PHE A 47 -2.021 -12.722 4.791 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.858 -13.297 4.356 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.123 -11.349 4.710 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.161 -12.518 3.865 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.079 -10.619 4.212 1.00 0.00 C ATOM 736 CZ PHE A 47 0.040 -11.292 3.809 1.00 0.00 C ATOM 0 H PHE A 47 -1.380 -12.466 7.683 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.919 -13.707 7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.333 -14.430 4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.138 -12.895 5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.741 -14.370 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.024 -10.852 5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.075 -12.983 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.137 -9.543 4.139 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.867 -10.717 3.419 1.00 0.00 H new ATOM 746 N GLU A 48 -2.530 -15.947 6.479 1.00 0.00 N ATOM 747 CA GLU A 48 -1.677 -17.089 6.622 1.00 0.00 C ATOM 748 C GLU A 48 -1.278 -17.740 5.279 1.00 0.00 C ATOM 749 O GLU A 48 -1.882 -18.774 5.019 1.00 0.00 O ATOM 750 CB GLU A 48 -2.564 -18.083 7.431 1.00 0.00 C ATOM 751 CG GLU A 48 -3.136 -17.502 8.706 1.00 0.00 C ATOM 752 CD GLU A 48 -4.301 -18.303 9.297 1.00 0.00 C ATOM 753 OE1 GLU A 48 -5.388 -18.218 8.687 1.00 0.00 O ATOM 754 OE2 GLU A 48 -4.230 -18.998 10.284 1.00 0.00 O ATOM 0 H GLU A 48 -3.394 -16.080 5.954 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.732 -16.816 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.385 -18.420 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.971 -18.963 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.342 -17.436 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.473 -16.484 8.508 1.00 0.00 H new ATOM 761 N LEU A 49 -0.350 -17.045 4.653 1.00 0.00 N ATOM 762 CA LEU A 49 0.258 -17.342 3.387 1.00 0.00 C ATOM 763 C LEU A 49 -0.551 -18.202 2.440 1.00 0.00 C ATOM 764 O LEU A 49 -0.397 -19.370 2.234 1.00 0.00 O ATOM 765 CB LEU A 49 1.623 -18.037 3.644 1.00 0.00 C ATOM 766 CG LEU A 49 2.811 -17.353 2.992 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.519 -16.855 1.569 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.290 -16.070 3.700 1.00 0.00 C ATOM 0 H LEU A 49 0.024 -16.187 5.058 1.00 0.00 H new ATOM 0 HA LEU A 49 0.352 -16.379 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.794 -18.087 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.567 -19.064 3.282 1.00 0.00 H new ATOM 0 HG LEU A 49 3.556 -18.147 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.409 -16.376 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.240 -17.699 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.701 -16.136 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.141 -15.654 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.480 -15.341 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.588 -16.307 4.721 1.00 0.00 H new ATOM 780 N GLY A 50 -1.503 -17.522 1.813 1.00 0.00 N ATOM 781 CA GLY A 50 -2.398 -18.136 0.850 1.00 0.00 C ATOM 782 C GLY A 50 -3.480 -18.844 1.680 1.00 0.00 C ATOM 783 O GLY A 50 -3.524 -20.050 1.584 1.00 0.00 O ATOM 0 H GLY A 50 -1.674 -16.527 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.838 -17.387 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.865 -18.844 0.216 1.00 0.00 H new ATOM 787 N VAL A 51 -4.229 -18.001 2.397 1.00 0.00 N ATOM 788 CA VAL A 51 -5.298 -18.467 3.236 1.00 0.00 C ATOM 789 C VAL A 51 -6.659 -18.134 2.632 1.00 0.00 C ATOM 790 O VAL A 51 -7.625 -18.870 2.683 1.00 0.00 O ATOM 791 CB VAL A 51 -5.227 -18.041 4.702 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.695 -16.628 5.010 1.00 0.00 C ATOM 793 CG2 VAL A 51 -6.181 -18.882 5.577 1.00 0.00 C ATOM 0 H VAL A 51 -4.101 -16.989 2.402 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.164 -19.548 3.263 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.163 -18.157 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.599 -16.438 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.084 -15.914 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.738 -16.518 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.107 -18.555 6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.205 -18.752 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.905 -19.934 5.508 1.00 0.00 H new ATOM 803 N ASP A 52 -6.598 -16.919 2.056 1.00 0.00 N ATOM 804 CA ASP A 52 -7.834 -16.454 1.426 1.00 0.00 C ATOM 805 C ASP A 52 -8.883 -16.082 2.495 1.00 0.00 C ATOM 806 O ASP A 52 -8.987 -16.702 3.542 1.00 0.00 O ATOM 807 CB ASP A 52 -8.382 -17.426 0.391 1.00 0.00 C ATOM 808 CG ASP A 52 -9.833 -17.808 0.701 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.143 -18.738 1.435 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.682 -17.120 0.167 1.00 0.00 O ATOM 0 H ASP A 52 -5.790 -16.298 2.014 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.588 -15.551 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.326 -16.975 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.764 -18.324 0.369 1.00 0.00 H new ATOM 815 N PHE A 53 -9.585 -15.012 2.061 1.00 0.00 N ATOM 816 CA PHE A 53 -10.603 -14.538 2.953 1.00 0.00 C ATOM 817 C PHE A 53 -11.368 -13.322 2.502 1.00 0.00 C ATOM 818 O PHE A 53 -11.102 -12.836 1.413 1.00 0.00 O ATOM 819 CB PHE A 53 -9.955 -14.195 4.315 1.00 0.00 C ATOM 820 CG PHE A 53 -8.735 -13.306 4.080 1.00 0.00 C ATOM 821 CD1 PHE A 53 -8.926 -11.932 4.058 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.444 -13.691 3.885 1.00 0.00 C ATOM 823 CE1 PHE A 53 -7.828 -11.090 3.840 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.406 -12.823 3.673 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.685 -11.476 3.662 1.00 0.00 C ATOM 0 H PHE A 53 -9.467 -14.515 1.178 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.326 -15.352 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.674 -13.684 4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.660 -15.108 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.911 -11.516 4.207 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.224 -14.748 3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.006 -10.025 3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.400 -13.185 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.893 -10.761 3.496 1.00 0.00 H new ATOM 835 N ALA A 54 -12.301 -12.805 3.286 1.00 0.00 N ATOM 836 CA ALA A 54 -13.052 -11.621 2.862 1.00 0.00 C ATOM 837 C ALA A 54 -13.062 -10.755 4.143 1.00 0.00 C ATOM 838 O ALA A 54 -13.648 -11.242 5.094 1.00 0.00 O ATOM 839 CB ALA A 54 -14.469 -11.907 2.411 1.00 0.00 C ATOM 0 H ALA A 54 -12.557 -13.173 4.202 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.595 -11.156 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.952 -10.976 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.450 -12.591 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.027 -12.360 3.230 1.00 0.00 H new ATOM 845 N TYR A 55 -12.461 -9.579 4.134 1.00 0.00 N ATOM 846 CA TYR A 55 -12.518 -8.825 5.390 1.00 0.00 C ATOM 847 C TYR A 55 -12.697 -7.353 5.135 1.00 0.00 C ATOM 848 O TYR A 55 -12.002 -6.764 4.328 1.00 0.00 O ATOM 849 CB TYR A 55 -11.274 -9.161 6.237 1.00 0.00 C ATOM 850 CG TYR A 55 -11.506 -9.294 7.719 1.00 0.00 C ATOM 851 CD1 TYR A 55 -11.778 -8.214 8.532 1.00 0.00 C ATOM 852 CD2 TYR A 55 -11.465 -10.504 8.377 1.00 0.00 C ATOM 853 CE1 TYR A 55 -11.984 -8.425 9.885 1.00 0.00 C ATOM 854 CE2 TYR A 55 -11.680 -10.632 9.749 1.00 0.00 C ATOM 855 CZ TYR A 55 -11.919 -9.683 10.443 1.00 0.00 C ATOM 856 OH TYR A 55 -12.129 -9.876 11.784 1.00 0.00 O ATOM 0 H TYR A 55 -11.968 -9.148 3.352 1.00 0.00 H new ATOM 0 HA TYR A 55 -13.395 -9.122 5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.849 -10.095 5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.526 -8.385 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.830 -7.217 8.119 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.257 -11.395 7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.202 -7.580 10.521 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.630 -11.612 10.199 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.044 -10.829 11.995 1.00 0.00 H new ATOM 866 N SER A 56 -13.663 -6.825 5.873 1.00 0.00 N ATOM 867 CA SER A 56 -13.880 -5.391 5.658 1.00 0.00 C ATOM 868 C SER A 56 -12.794 -4.742 6.543 1.00 0.00 C ATOM 869 O SER A 56 -12.843 -5.070 7.743 1.00 0.00 O ATOM 870 CB SER A 56 -15.312 -5.087 6.069 1.00 0.00 C ATOM 871 OG SER A 56 -15.446 -3.950 6.873 1.00 0.00 O ATOM 0 H SER A 56 -14.255 -7.299 6.556 1.00 0.00 H new ATOM 0 HA SER A 56 -13.787 -5.022 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.917 -4.957 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.716 -5.947 6.604 1.00 0.00 H new ATOM 0 HG SER A 56 -16.391 -3.817 7.096 1.00 0.00 H new ATOM 877 N LEU A 57 -11.959 -3.932 5.903 1.00 0.00 N ATOM 878 CA LEU A 57 -10.862 -3.217 6.551 1.00 0.00 C ATOM 879 C LEU A 57 -11.248 -1.906 7.207 1.00 0.00 C ATOM 880 O LEU A 57 -11.081 -1.833 8.441 1.00 0.00 O ATOM 881 CB LEU A 57 -9.710 -3.113 5.538 1.00 0.00 C ATOM 882 CG LEU A 57 -9.183 -4.526 5.244 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.092 -4.433 4.172 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.485 -5.249 6.389 1.00 0.00 C ATOM 0 H LEU A 57 -12.025 -3.749 4.902 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.531 -3.790 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.057 -2.640 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.912 -2.487 5.937 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.085 -5.078 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.710 -5.430 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.510 -3.999 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.279 -3.804 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.161 -6.234 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.618 -4.671 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.176 -5.360 7.225 1.00 0.00 H new ATOM 896 N ALA A 58 -11.730 -0.942 6.430 1.00 0.00 N ATOM 897 CA ALA A 58 -12.111 0.310 7.032 1.00 0.00 C ATOM 898 C ALA A 58 -13.631 0.410 7.199 1.00 0.00 C ATOM 899 O ALA A 58 -14.176 1.495 7.048 1.00 0.00 O ATOM 900 CB ALA A 58 -11.593 1.485 6.225 1.00 0.00 C ATOM 0 H ALA A 58 -11.859 -1.006 5.420 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.657 0.344 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.896 2.417 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.505 1.440 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.005 1.444 5.217 1.00 0.00 H new ATOM 906 N ASP A 59 -14.232 -0.769 7.508 1.00 0.00 N ATOM 907 CA ASP A 59 -15.673 -0.873 7.703 1.00 0.00 C ATOM 908 C ASP A 59 -16.401 -0.656 6.406 1.00 0.00 C ATOM 909 O ASP A 59 -17.547 -0.233 6.362 1.00 0.00 O ATOM 910 CB ASP A 59 -16.151 0.207 8.709 1.00 0.00 C ATOM 911 CG ASP A 59 -15.339 0.184 9.994 1.00 0.00 C ATOM 912 OD1 ASP A 59 -14.540 -0.735 10.116 1.00 0.00 O ATOM 913 OD2 ASP A 59 -15.506 1.051 10.839 1.00 0.00 O ATOM 0 H ASP A 59 -13.729 -1.649 7.624 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.888 -1.871 8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.074 1.192 8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.204 0.046 8.942 1.00 0.00 H new ATOM 918 N GLY A 60 -15.694 -0.962 5.291 1.00 0.00 N ATOM 919 CA GLY A 60 -16.299 -0.791 3.996 1.00 0.00 C ATOM 920 C GLY A 60 -15.303 -1.426 2.981 1.00 0.00 C ATOM 921 O GLY A 60 -15.787 -2.359 2.348 1.00 0.00 O ATOM 0 H GLY A 60 -14.737 -1.315 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.271 -1.281 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.463 0.264 3.776 1.00 0.00 H new ATOM 925 N THR A 61 -14.133 -0.822 3.010 1.00 0.00 N ATOM 926 CA THR A 61 -12.977 -1.139 2.207 1.00 0.00 C ATOM 927 C THR A 61 -13.236 -2.407 1.357 1.00 0.00 C ATOM 928 O THR A 61 -13.491 -2.224 0.180 1.00 0.00 O ATOM 929 CB THR A 61 -11.737 -1.234 3.094 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.668 -0.157 3.984 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.395 -1.272 2.334 1.00 0.00 C ATOM 0 H THR A 61 -13.956 -0.041 3.642 1.00 0.00 H new ATOM 0 HA THR A 61 -12.787 -0.337 1.494 1.00 0.00 H new ATOM 0 HB THR A 61 -11.864 -2.186 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.731 0.095 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.574 -1.340 3.048 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.375 -2.140 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.287 -0.364 1.742 1.00 0.00 H new ATOM 939 N GLU A 62 -13.145 -3.548 2.031 1.00 0.00 N ATOM 940 CA GLU A 62 -13.365 -4.810 1.335 1.00 0.00 C ATOM 941 C GLU A 62 -12.088 -5.006 0.520 1.00 0.00 C ATOM 942 O GLU A 62 -11.664 -4.208 -0.299 1.00 0.00 O ATOM 943 CB GLU A 62 -14.580 -4.749 0.428 1.00 0.00 C ATOM 944 CG GLU A 62 -15.206 -6.107 0.109 1.00 0.00 C ATOM 945 CD GLU A 62 -16.258 -6.418 1.185 1.00 0.00 C ATOM 946 OE1 GLU A 62 -16.923 -5.503 1.652 1.00 0.00 O ATOM 947 OE2 GLU A 62 -16.371 -7.591 1.525 1.00 0.00 O ATOM 0 H GLU A 62 -12.928 -3.627 3.025 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.561 -5.631 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.335 -4.117 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.295 -4.267 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.667 -6.090 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.441 -6.883 0.091 1.00 0.00 H new ATOM 954 N LEU A 63 -11.521 -6.196 0.853 1.00 0.00 N ATOM 955 CA LEU A 63 -10.293 -6.576 0.181 1.00 0.00 C ATOM 956 C LEU A 63 -10.224 -8.109 0.214 1.00 0.00 C ATOM 957 O LEU A 63 -9.436 -8.737 0.874 1.00 0.00 O ATOM 958 CB LEU A 63 -9.084 -5.923 0.857 1.00 0.00 C ATOM 959 CG LEU A 63 -8.221 -5.000 -0.024 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.919 -3.665 -0.170 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.902 -4.650 0.660 1.00 0.00 C ATOM 0 H LEU A 63 -11.881 -6.858 1.540 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.279 -6.230 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.440 -5.345 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.445 -6.713 1.252 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.060 -5.523 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.315 -3.005 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.893 -3.813 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.052 -3.215 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.318 -3.998 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.105 -4.139 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.341 -5.563 0.857 1.00 0.00 H new ATOM 973 N THR A 64 -11.145 -8.649 -0.581 1.00 0.00 N ATOM 974 CA THR A 64 -11.286 -10.057 -0.734 1.00 0.00 C ATOM 975 C THR A 64 -10.006 -10.546 -1.479 1.00 0.00 C ATOM 976 O THR A 64 -9.881 -10.503 -2.688 1.00 0.00 O ATOM 977 CB THR A 64 -12.512 -10.411 -1.572 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.572 -9.506 -1.354 1.00 0.00 O ATOM 979 CG2 THR A 64 -13.006 -11.810 -1.304 1.00 0.00 C ATOM 0 H THR A 64 -11.807 -8.102 -1.131 1.00 0.00 H new ATOM 0 HA THR A 64 -11.410 -10.528 0.241 1.00 0.00 H new ATOM 0 HB THR A 64 -12.187 -10.347 -2.610 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.339 -9.762 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.879 -12.013 -1.924 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.219 -12.526 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.278 -11.905 -0.253 1.00 0.00 H new ATOM 987 N GLY A 65 -9.083 -11.016 -0.623 1.00 0.00 N ATOM 988 CA GLY A 65 -7.893 -11.475 -1.331 1.00 0.00 C ATOM 989 C GLY A 65 -7.061 -12.318 -0.355 1.00 0.00 C ATOM 990 O GLY A 65 -7.423 -12.337 0.796 1.00 0.00 O ATOM 0 H GLY A 65 -9.118 -11.083 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.172 -12.066 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.313 -10.626 -1.693 1.00 0.00 H new ATOM 994 N THR A 66 -6.074 -12.877 -1.030 1.00 0.00 N ATOM 995 CA THR A 66 -5.100 -13.740 -0.388 1.00 0.00 C ATOM 996 C THR A 66 -3.679 -13.426 -0.778 1.00 0.00 C ATOM 997 O THR A 66 -3.402 -13.073 -1.932 1.00 0.00 O ATOM 998 CB THR A 66 -5.497 -15.143 -0.853 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.176 -16.075 0.139 1.00 0.00 O ATOM 1000 CG2 THR A 66 -4.717 -15.478 -2.146 1.00 0.00 C ATOM 0 H THR A 66 -5.925 -12.747 -2.031 1.00 0.00 H new ATOM 0 HA THR A 66 -5.114 -13.618 0.695 1.00 0.00 H new ATOM 0 HB THR A 66 -6.569 -15.179 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.480 -15.706 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.991 -16.476 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.963 -14.749 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.646 -15.445 -1.944 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.732 -13.542 0.184 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.329 -13.256 -0.143 1.00 0.00 C ATOM 1010 C TRP A 67 -0.688 -14.654 0.019 1.00 0.00 C ATOM 1011 O TRP A 67 -0.807 -15.180 1.096 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.653 -12.248 0.760 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.155 -10.894 0.220 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -1.799 -9.926 0.977 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.011 -10.465 -1.169 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.008 -9.010 0.075 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -1.595 -9.200 -1.234 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.469 -11.013 -2.290 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -1.639 -8.510 -2.406 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -0.507 -10.312 -3.452 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -1.083 -9.072 -3.529 1.00 0.00 C ATOM 0 H TRP A 67 -2.909 -13.820 1.149 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.229 -12.796 -1.126 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.932 -12.393 1.804 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.433 -12.325 0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.056 -9.931 2.026 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.480 -8.144 0.335 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.015 -11.992 -2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -2.104 -7.536 -2.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.071 -10.744 -4.340 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -1.100 -8.539 -4.468 1.00 0.00 H new ATOM 1032 N THR A 68 -0.122 -14.973 -1.126 1.00 0.00 N ATOM 1033 CA THR A 68 0.592 -16.193 -1.426 1.00 0.00 C ATOM 1034 C THR A 68 2.077 -16.031 -1.775 1.00 0.00 C ATOM 1035 O THR A 68 2.465 -16.595 -2.783 1.00 0.00 O ATOM 1036 CB THR A 68 -0.041 -16.907 -2.609 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.205 -16.312 -3.859 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.571 -17.070 -2.484 1.00 0.00 C ATOM 0 H THR A 68 -0.152 -14.341 -1.926 1.00 0.00 H new ATOM 0 HA THR A 68 0.525 -16.754 -0.494 1.00 0.00 H new ATOM 0 HB THR A 68 0.452 -17.878 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.293 -15.471 -3.924 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.955 -17.588 -3.363 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.803 -17.650 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.037 -16.087 -2.409 1.00 0.00 H new ATOM 1046 N MET A 69 2.658 -15.259 -0.856 1.00 0.00 N ATOM 1047 CA MET A 69 4.072 -14.890 -0.879 1.00 0.00 C ATOM 1048 C MET A 69 4.853 -16.019 -1.525 1.00 0.00 C ATOM 1049 O MET A 69 4.612 -17.152 -1.156 1.00 0.00 O ATOM 1050 CB MET A 69 4.536 -14.757 0.593 1.00 0.00 C ATOM 1051 CG MET A 69 5.706 -13.757 0.667 1.00 0.00 C ATOM 1052 SD MET A 69 7.284 -14.542 0.352 1.00 0.00 S ATOM 1053 CE MET A 69 8.008 -14.506 2.004 1.00 0.00 C ATOM 0 H MET A 69 2.151 -14.867 -0.063 1.00 0.00 H new ATOM 0 HA MET A 69 4.228 -13.962 -1.429 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.710 -14.416 1.218 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.847 -15.728 0.978 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.547 -12.959 -0.059 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.723 -13.292 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.817 -15.234 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.401 -13.510 2.207 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.244 -14.752 2.742 1.00 0.00 H new ATOM 1063 N GLU A 70 5.720 -15.602 -2.444 1.00 0.00 N ATOM 1064 CA GLU A 70 6.517 -16.646 -3.126 1.00 0.00 C ATOM 1065 C GLU A 70 7.924 -16.146 -3.269 1.00 0.00 C ATOM 1066 O GLU A 70 8.349 -15.742 -4.332 1.00 0.00 O ATOM 1067 CB GLU A 70 5.964 -16.975 -4.511 1.00 0.00 C ATOM 1068 CG GLU A 70 6.470 -18.252 -5.176 1.00 0.00 C ATOM 1069 CD GLU A 70 5.330 -19.161 -5.638 1.00 0.00 C ATOM 1070 OE1 GLU A 70 4.424 -19.549 -4.887 1.00 0.00 O ATOM 1071 OE2 GLU A 70 5.361 -19.495 -6.827 1.00 0.00 O ATOM 0 H GLU A 70 5.890 -14.636 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 70 6.476 -17.556 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.879 -17.040 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.188 -16.138 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.092 -17.990 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.104 -18.796 -4.476 1.00 0.00 H new ATOM 1078 N GLY A 71 8.646 -16.195 -2.126 1.00 0.00 N ATOM 1079 CA GLY A 71 10.010 -15.738 -2.171 1.00 0.00 C ATOM 1080 C GLY A 71 9.954 -14.243 -2.482 1.00 0.00 C ATOM 1081 O GLY A 71 9.497 -13.418 -1.707 1.00 0.00 O ATOM 0 H GLY A 71 8.313 -16.529 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.512 -15.918 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.574 -16.273 -2.935 1.00 0.00 H new ATOM 1085 N ASN A 72 10.467 -13.978 -3.693 1.00 0.00 N ATOM 1086 CA ASN A 72 10.482 -12.608 -4.124 1.00 0.00 C ATOM 1087 C ASN A 72 9.234 -12.174 -4.900 1.00 0.00 C ATOM 1088 O ASN A 72 9.435 -11.261 -5.716 1.00 0.00 O ATOM 1089 CB ASN A 72 11.717 -12.418 -5.028 1.00 0.00 C ATOM 1090 CG ASN A 72 12.835 -13.242 -4.437 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.998 -14.386 -4.856 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.564 -12.668 -3.499 1.00 0.00 N ATOM 0 H ASN A 72 10.852 -14.662 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 72 10.509 -11.989 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.500 -12.738 -6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.999 -11.366 -5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 72 14.331 -13.181 -3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.361 -11.711 -3.209 1.00 0.00 H new ATOM 1099 N LYS A 73 8.094 -12.821 -4.613 1.00 0.00 N ATOM 1100 CA LYS A 73 6.926 -12.382 -5.376 1.00 0.00 C ATOM 1101 C LYS A 73 5.715 -12.086 -4.490 1.00 0.00 C ATOM 1102 O LYS A 73 5.673 -12.670 -3.413 1.00 0.00 O ATOM 1103 CB LYS A 73 6.658 -13.239 -6.610 1.00 0.00 C ATOM 1104 CG LYS A 73 7.443 -12.865 -7.837 1.00 0.00 C ATOM 1105 CD LYS A 73 8.818 -13.531 -7.824 1.00 0.00 C ATOM 1106 CE LYS A 73 9.875 -12.610 -8.432 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.882 -13.308 -9.214 1.00 0.00 N ATOM 0 H LYS A 73 7.961 -13.570 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 73 7.172 -11.409 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.874 -14.279 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.596 -13.182 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.896 -13.167 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.559 -11.782 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.095 -13.783 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.779 -14.466 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.381 -11.875 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.368 -12.059 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.564 -12.621 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.380 -13.991 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.424 -13.812 -10.000 1.00 0.00 H new ATOM 1121 N LEU A 74 4.853 -11.223 -5.006 1.00 0.00 N ATOM 1122 CA LEU A 74 3.680 -10.878 -4.224 1.00 0.00 C ATOM 1123 C LEU A 74 2.422 -10.980 -5.044 1.00 0.00 C ATOM 1124 O LEU A 74 1.826 -9.976 -5.366 1.00 0.00 O ATOM 1125 CB LEU A 74 3.927 -9.522 -3.506 1.00 0.00 C ATOM 1126 CG LEU A 74 4.600 -9.837 -2.146 1.00 0.00 C ATOM 1127 CD1 LEU A 74 5.522 -8.751 -1.590 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.689 -10.251 -0.994 1.00 0.00 C ATOM 0 H LEU A 74 4.935 -10.769 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 74 3.512 -11.604 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.565 -8.878 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.988 -8.990 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 74 5.177 -10.703 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.937 -9.079 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.333 -8.567 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.954 -7.832 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.290 -10.441 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.978 -9.451 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.147 -11.157 -1.266 1.00 0.00 H new ATOM 1140 N VAL A 75 2.164 -12.300 -5.299 1.00 0.00 N ATOM 1141 CA VAL A 75 1.025 -12.756 -6.060 1.00 0.00 C ATOM 1142 C VAL A 75 -0.151 -13.046 -5.138 1.00 0.00 C ATOM 1143 O VAL A 75 -0.196 -13.795 -4.179 1.00 0.00 O ATOM 1144 CB VAL A 75 1.459 -13.974 -6.857 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.336 -14.654 -7.625 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.364 -13.549 -8.023 1.00 0.00 C ATOM 0 H VAL A 75 2.762 -13.057 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 75 0.681 -11.987 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 75 1.904 -14.620 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.733 -15.513 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.432 -14.988 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.099 -13.949 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.669 -14.431 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.819 -12.870 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.248 -13.045 -7.632 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.187 -12.319 -5.538 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.438 -12.422 -4.811 1.00 0.00 C ATOM 1158 C GLY A 76 -3.315 -11.301 -5.433 1.00 0.00 C ATOM 1159 O GLY A 76 -2.927 -10.796 -6.469 1.00 0.00 O ATOM 0 H GLY A 76 -1.187 -11.677 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.895 -13.404 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.294 -12.271 -3.741 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.408 -11.082 -4.667 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.259 -10.051 -5.205 1.00 0.00 C ATOM 1165 C LYS A 77 -6.454 -9.773 -4.326 1.00 0.00 C ATOM 1166 O LYS A 77 -7.112 -10.674 -3.877 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.734 -10.604 -6.566 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.188 -10.307 -6.827 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.756 -10.862 -8.132 1.00 0.00 C ATOM 1170 CE LYS A 77 -9.229 -10.438 -8.346 1.00 0.00 C ATOM 1171 NZ LYS A 77 -10.204 -11.404 -7.849 1.00 0.00 N ATOM 0 H LYS A 77 -4.681 -11.541 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.719 -9.107 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.128 -10.172 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.575 -11.682 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.775 -10.705 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.325 -9.226 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.152 -10.512 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.689 -11.950 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.396 -9.481 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.400 -10.280 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.165 -11.050 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.073 -12.313 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.069 -11.538 -6.827 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.565 -8.440 -4.201 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.677 -7.944 -3.359 1.00 0.00 C ATOM 1187 C PHE A 78 -8.338 -6.938 -4.258 1.00 0.00 C ATOM 1188 O PHE A 78 -7.888 -6.438 -5.266 1.00 0.00 O ATOM 1189 CB PHE A 78 -7.103 -7.522 -2.035 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.170 -8.492 -1.393 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.090 -9.169 -1.862 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.394 -8.819 -0.039 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.347 -10.051 -1.083 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.636 -9.694 0.699 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.582 -10.292 0.067 1.00 0.00 C ATOM 0 H PHE A 78 -5.961 -7.737 -4.627 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.456 -8.635 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.577 -6.578 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.927 -7.330 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.793 -9.015 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.228 -8.343 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.507 -10.549 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.863 -9.901 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.957 -10.987 0.608 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.549 -6.681 -3.743 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.439 -5.768 -4.395 1.00 0.00 C ATOM 1207 C LYS A 79 -11.492 -5.179 -3.466 1.00 0.00 C ATOM 1208 O LYS A 79 -11.966 -5.907 -2.602 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.139 -6.769 -5.369 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.837 -6.241 -6.575 1.00 0.00 C ATOM 1211 CD LYS A 79 -13.205 -5.588 -6.230 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.905 -5.028 -7.465 1.00 0.00 C ATOM 1213 NZ LYS A 79 -15.140 -5.766 -7.779 1.00 0.00 N ATOM 0 H LYS A 79 -9.913 -7.098 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.936 -4.902 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.384 -7.477 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.868 -7.335 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.200 -5.506 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.994 -7.053 -7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.849 -6.328 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.051 -4.787 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.142 -3.977 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.228 -5.074 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.309 -5.740 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.042 -6.754 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.942 -5.326 -7.285 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.769 -3.893 -3.741 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.756 -3.251 -2.931 1.00 0.00 C ATOM 1229 C ARG A 80 -14.090 -3.166 -3.723 1.00 0.00 C ATOM 1230 O ARG A 80 -14.204 -2.207 -4.457 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.341 -1.905 -2.312 1.00 0.00 C ATOM 1232 CG ARG A 80 -11.360 -1.151 -3.180 1.00 0.00 C ATOM 1233 CD ARG A 80 -10.631 -0.067 -2.377 1.00 0.00 C ATOM 1234 NE ARG A 80 -11.564 0.674 -1.584 1.00 0.00 N ATOM 1235 CZ ARG A 80 -11.252 1.764 -0.867 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -9.981 2.201 -0.887 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -12.181 2.401 -0.151 1.00 0.00 N ATOM 0 H ARG A 80 -11.342 -3.327 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.889 -3.879 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.228 -1.292 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.896 -2.080 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.634 -1.846 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.887 -0.694 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.879 -0.525 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.104 0.605 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.531 0.352 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.280 1.706 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.717 3.028 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.142 2.060 -0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.930 3.229 0.390 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.868 -4.212 -3.422 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.175 -4.409 -4.007 1.00 0.00 C ATOM 1253 C VAL A 81 -16.904 -3.056 -4.287 1.00 0.00 C ATOM 1254 O VAL A 81 -17.583 -2.960 -5.280 1.00 0.00 O ATOM 1255 CB VAL A 81 -17.020 -5.272 -3.103 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -17.473 -4.537 -1.842 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -18.355 -5.716 -3.774 1.00 0.00 C ATOM 0 H VAL A 81 -14.597 -4.941 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.033 -4.909 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.368 -6.116 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.077 -5.205 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.600 -4.215 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.066 -3.666 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.923 -6.334 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.940 -4.835 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.136 -6.289 -4.675 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.638 -2.177 -3.322 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.159 -0.837 -3.289 1.00 0.00 C ATOM 1269 C ASP A 82 -17.181 -0.225 -4.689 1.00 0.00 C ATOM 1270 O ASP A 82 -18.264 0.243 -5.030 1.00 0.00 O ATOM 1271 CB ASP A 82 -16.268 0.024 -2.346 1.00 0.00 C ATOM 1272 CG ASP A 82 -17.055 1.219 -1.889 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -18.238 1.136 -1.576 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -16.514 2.301 -1.829 1.00 0.00 O ATOM 0 H ASP A 82 -16.037 -2.396 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.184 -0.861 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.947 -0.567 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.366 0.344 -2.868 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.029 -0.262 -5.404 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.081 0.313 -6.703 1.00 0.00 C ATOM 1281 C ASN A 83 -15.729 -0.569 -7.892 1.00 0.00 C ATOM 1282 O ASN A 83 -15.687 0.010 -8.991 1.00 0.00 O ATOM 1283 CB ASN A 83 -15.007 1.444 -6.721 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.346 2.496 -5.649 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -16.504 2.836 -5.430 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.304 2.995 -4.994 1.00 0.00 N ATOM 0 H ASN A 83 -15.137 -0.657 -5.107 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.125 0.596 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -14.019 1.024 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.973 1.911 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.447 3.697 -4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.361 2.676 -5.217 1.00 0.00 H new ATOM 1293 N GLY A 84 -15.485 -1.880 -7.698 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.158 -2.577 -8.963 1.00 0.00 C ATOM 1295 C GLY A 84 -13.702 -2.088 -9.199 1.00 0.00 C ATOM 1296 O GLY A 84 -13.324 -1.877 -10.333 1.00 0.00 O ATOM 0 H GLY A 84 -15.500 -2.413 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.219 -3.661 -8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.826 -2.292 -9.776 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.077 -1.979 -8.001 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.727 -1.543 -7.908 1.00 0.00 C ATOM 1302 C LYS A 85 -10.608 -2.483 -8.247 1.00 0.00 C ATOM 1303 O LYS A 85 -10.071 -2.247 -9.331 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.522 -1.287 -6.379 1.00 0.00 C ATOM 1305 CG LYS A 85 -10.093 -0.864 -6.085 1.00 0.00 C ATOM 1306 CD LYS A 85 -9.796 0.550 -6.633 1.00 0.00 C ATOM 1307 CE LYS A 85 -9.058 1.475 -5.692 1.00 0.00 C ATOM 1308 NZ LYS A 85 -7.846 0.831 -5.146 1.00 0.00 N ATOM 0 H LYS A 85 -13.515 -2.195 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.650 -0.732 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.211 -0.513 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.760 -2.192 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.922 -0.881 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.402 -1.580 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.212 0.450 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.741 1.019 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.781 2.388 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.717 1.767 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.097 1.543 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.065 0.404 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.521 0.092 -5.801 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.332 -3.426 -7.346 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.248 -4.346 -7.596 1.00 0.00 C ATOM 1324 C GLU A 86 -7.915 -3.673 -7.131 1.00 0.00 C ATOM 1325 O GLU A 86 -7.336 -3.041 -7.988 1.00 0.00 O ATOM 1326 CB GLU A 86 -9.109 -4.916 -8.970 1.00 0.00 C ATOM 1327 CG GLU A 86 -10.348 -5.710 -9.438 1.00 0.00 C ATOM 1328 CD GLU A 86 -10.078 -6.442 -10.739 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -9.022 -7.088 -10.748 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -10.827 -6.401 -11.691 1.00 0.00 O ATOM 0 H GLU A 86 -10.831 -3.563 -6.467 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.499 -5.233 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.921 -4.105 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.237 -5.570 -8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.635 -6.427 -8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.190 -5.030 -9.569 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.626 -3.902 -5.865 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.418 -3.349 -5.280 1.00 0.00 C ATOM 1339 C LEU A 87 -5.380 -4.427 -5.057 1.00 0.00 C ATOM 1340 O LEU A 87 -4.865 -4.671 -4.006 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.758 -2.516 -4.043 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.517 -2.030 -3.259 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -5.533 -0.499 -3.105 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -5.427 -2.611 -1.851 1.00 0.00 C ATOM 0 H LEU A 87 -8.199 -4.457 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.952 -2.655 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.345 -1.650 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.387 -3.109 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.662 -2.370 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.651 -0.180 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.530 -0.034 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.430 -0.197 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.534 -2.229 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.309 -2.321 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.373 -3.698 -1.909 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.141 -5.043 -6.216 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.165 -6.121 -6.210 1.00 0.00 C ATOM 1358 C ILE A 88 -2.840 -5.384 -5.933 1.00 0.00 C ATOM 1359 O ILE A 88 -2.846 -4.216 -6.205 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.176 -6.711 -7.605 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.529 -7.405 -7.825 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.097 -7.698 -8.002 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.690 -8.031 -9.226 1.00 0.00 C ATOM 0 H ILE A 88 -5.579 -4.831 -7.112 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.340 -6.921 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.980 -5.842 -8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.653 -8.184 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.328 -6.680 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.258 -8.018 -9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.120 -7.222 -7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.136 -8.565 -7.342 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.670 -8.502 -9.304 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.599 -7.253 -9.985 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.914 -8.781 -9.381 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.930 -6.208 -5.434 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.606 -5.736 -5.095 1.00 0.00 C ATOM 1377 C ALA A 89 0.435 -6.647 -5.732 1.00 0.00 C ATOM 1378 O ALA A 89 1.041 -7.419 -5.020 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.368 -5.679 -3.581 1.00 0.00 C ATOM 0 H ALA A 89 -2.088 -7.200 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.518 -4.719 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.642 -5.318 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.090 -5.003 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.486 -6.676 -3.156 1.00 0.00 H new ATOM 1385 N VAL A 90 0.536 -6.451 -7.047 1.00 0.00 N ATOM 1386 CA VAL A 90 1.469 -7.233 -7.788 1.00 0.00 C ATOM 1387 C VAL A 90 2.879 -6.706 -7.457 1.00 0.00 C ATOM 1388 O VAL A 90 3.034 -5.478 -7.482 1.00 0.00 O ATOM 1389 CB VAL A 90 1.387 -7.011 -9.308 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.770 -7.322 -9.958 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.457 -7.863 -10.123 1.00 0.00 C ATOM 0 H VAL A 90 -0.006 -5.777 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 90 1.261 -8.272 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 90 1.025 -5.983 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.710 -7.164 -11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.527 -6.661 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.041 -8.359 -9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.524 -7.574 -11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.737 -8.911 -10.017 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.566 -7.723 -9.773 1.00 0.00 H new ATOM 1401 N ARG A 91 3.800 -7.673 -7.172 1.00 0.00 N ATOM 1402 CA ARG A 91 5.097 -7.141 -6.869 1.00 0.00 C ATOM 1403 C ARG A 91 6.154 -8.182 -6.592 1.00 0.00 C ATOM 1404 O ARG A 91 5.840 -9.213 -6.085 1.00 0.00 O ATOM 1405 CB ARG A 91 5.093 -6.278 -5.581 1.00 0.00 C ATOM 1406 CG ARG A 91 6.469 -5.924 -5.055 1.00 0.00 C ATOM 1407 CD ARG A 91 7.387 -5.016 -5.886 1.00 0.00 C ATOM 1408 NE ARG A 91 6.697 -4.631 -7.104 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.241 -4.639 -8.310 1.00 0.00 C ATOM 1410 NH1 ARG A 91 8.491 -5.009 -8.560 1.00 0.00 N ATOM 1411 NH2 ARG A 91 6.539 -4.267 -9.383 1.00 0.00 N ATOM 0 H ARG A 91 3.671 -8.685 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 91 5.329 -6.575 -7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.546 -5.356 -5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.547 -6.812 -4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.335 -5.450 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.003 -6.859 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.660 -4.130 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.313 -5.537 -6.127 1.00 0.00 H new ATOM 0 HE ARG A 91 5.725 -4.333 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.096 -5.311 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.847 -4.991 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.568 -3.971 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.973 -4.279 -10.306 1.00 0.00 H new ATOM 1425 N GLU A 92 7.373 -7.744 -6.985 1.00 0.00 N ATOM 1426 CA GLU A 92 8.488 -8.635 -6.778 1.00 0.00 C ATOM 1427 C GLU A 92 9.719 -7.757 -6.391 1.00 0.00 C ATOM 1428 O GLU A 92 10.080 -7.024 -7.292 1.00 0.00 O ATOM 1429 CB GLU A 92 8.677 -9.342 -8.085 1.00 0.00 C ATOM 1430 CG GLU A 92 7.370 -9.435 -8.924 1.00 0.00 C ATOM 1431 CD GLU A 92 7.694 -10.182 -10.224 1.00 0.00 C ATOM 1432 OE1 GLU A 92 8.825 -10.042 -10.691 1.00 0.00 O ATOM 1433 OE2 GLU A 92 6.821 -10.891 -10.751 1.00 0.00 O ATOM 0 H GLU A 92 7.582 -6.843 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 92 8.341 -9.367 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.438 -8.821 -8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.053 -10.348 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.595 -9.960 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.986 -8.439 -9.143 1.00 0.00 H new ATOM 1440 N ILE A 93 10.139 -7.984 -5.144 1.00 0.00 N ATOM 1441 CA ILE A 93 11.265 -7.316 -4.510 1.00 0.00 C ATOM 1442 C ILE A 93 12.171 -6.676 -5.558 1.00 0.00 C ATOM 1443 O ILE A 93 13.175 -7.303 -5.871 1.00 0.00 O ATOM 1444 CB ILE A 93 12.084 -8.205 -3.571 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.204 -9.276 -2.904 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.678 -7.442 -2.396 1.00 0.00 C ATOM 1447 CD1 ILE A 93 9.994 -8.768 -2.109 1.00 0.00 C ATOM 0 H ILE A 93 9.685 -8.662 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 93 10.824 -6.545 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 93 12.860 -8.623 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.844 -9.953 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.831 -9.864 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.247 -8.127 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.338 -6.658 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.876 -6.994 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.454 -9.616 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.335 -8.118 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.333 -8.209 -2.771 1.00 0.00 H new ATOM 1459 N SER A 94 11.679 -5.510 -5.956 1.00 0.00 N ATOM 1460 CA SER A 94 12.406 -4.763 -6.960 1.00 0.00 C ATOM 1461 C SER A 94 13.783 -4.309 -6.553 1.00 0.00 C ATOM 1462 O SER A 94 14.056 -3.132 -6.308 1.00 0.00 O ATOM 1463 CB SER A 94 11.496 -3.622 -7.490 1.00 0.00 C ATOM 1464 OG SER A 94 10.782 -3.893 -8.637 1.00 0.00 O ATOM 0 H SER A 94 10.819 -5.080 -5.615 1.00 0.00 H new ATOM 0 HA SER A 94 12.635 -5.446 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.791 -3.354 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.118 -2.746 -7.673 1.00 0.00 H new ATOM 0 HG SER A 94 10.244 -3.111 -8.880 1.00 0.00 H new ATOM 1470 N GLY A 95 14.674 -5.307 -6.481 1.00 0.00 N ATOM 1471 CA GLY A 95 16.065 -4.996 -6.094 1.00 0.00 C ATOM 1472 C GLY A 95 16.166 -5.653 -4.691 1.00 0.00 C ATOM 1473 O GLY A 95 15.818 -6.790 -4.437 1.00 0.00 O ATOM 0 H GLY A 95 14.477 -6.289 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.787 -5.417 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.247 -3.922 -6.055 1.00 0.00 H new ATOM 1477 N ASN A 96 16.704 -4.727 -3.851 1.00 0.00 N ATOM 1478 CA ASN A 96 16.908 -5.091 -2.469 1.00 0.00 C ATOM 1479 C ASN A 96 15.954 -4.280 -1.576 1.00 0.00 C ATOM 1480 O ASN A 96 16.228 -3.982 -0.414 1.00 0.00 O ATOM 1481 CB ASN A 96 18.390 -4.822 -2.205 1.00 0.00 C ATOM 1482 CG ASN A 96 19.123 -6.087 -2.685 1.00 0.00 C ATOM 1483 OD1 ASN A 96 19.628 -6.077 -3.785 1.00 0.00 O ATOM 1484 ND2 ASN A 96 19.073 -7.054 -1.722 1.00 0.00 N ATOM 0 H ASN A 96 16.983 -3.781 -4.110 1.00 0.00 H new ATOM 0 HA ASN A 96 16.682 -6.134 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.732 -3.940 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.574 -4.638 -1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.517 -7.958 -1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 96 18.591 -6.872 -0.841 1.00 0.00 H new ATOM 1491 N GLU A 97 14.828 -3.964 -2.220 1.00 0.00 N ATOM 1492 CA GLU A 97 13.744 -3.217 -1.644 1.00 0.00 C ATOM 1493 C GLU A 97 12.437 -3.566 -2.429 1.00 0.00 C ATOM 1494 O GLU A 97 12.612 -3.889 -3.581 1.00 0.00 O ATOM 1495 CB GLU A 97 13.933 -1.732 -1.478 1.00 0.00 C ATOM 1496 CG GLU A 97 15.210 -1.201 -2.136 1.00 0.00 C ATOM 1497 CD GLU A 97 15.238 -1.565 -3.608 1.00 0.00 C ATOM 1498 OE1 GLU A 97 14.319 -1.167 -4.309 1.00 0.00 O ATOM 1499 OE2 GLU A 97 16.204 -2.235 -3.998 1.00 0.00 O ATOM 0 H GLU A 97 14.655 -4.237 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 97 13.686 -3.536 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.073 -1.215 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.955 -1.493 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.262 -0.118 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.084 -1.617 -1.635 1.00 0.00 H new ATOM 1506 N LEU A 98 11.344 -3.452 -1.695 1.00 0.00 N ATOM 1507 CA LEU A 98 10.049 -3.741 -2.267 1.00 0.00 C ATOM 1508 C LEU A 98 9.249 -2.468 -2.556 1.00 0.00 C ATOM 1509 O LEU A 98 9.038 -1.612 -1.718 1.00 0.00 O ATOM 1510 CB LEU A 98 9.332 -4.570 -1.179 1.00 0.00 C ATOM 1511 CG LEU A 98 8.223 -5.437 -1.758 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.101 -6.768 -1.029 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.912 -4.658 -1.484 1.00 0.00 C ATOM 0 H LEU A 98 11.330 -3.165 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 98 10.144 -4.259 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.058 -5.203 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.913 -3.899 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 98 8.424 -5.638 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.298 -7.355 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.040 -7.316 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.878 -6.588 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.065 -5.222 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.790 -4.517 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.957 -3.686 -1.975 1.00 0.00 H new ATOM 1525 N ILE A 99 8.833 -2.440 -3.837 1.00 0.00 N ATOM 1526 CA ILE A 99 8.070 -1.380 -4.388 1.00 0.00 C ATOM 1527 C ILE A 99 6.601 -1.539 -3.911 1.00 0.00 C ATOM 1528 O ILE A 99 6.397 -0.821 -2.950 1.00 0.00 O ATOM 1529 CB ILE A 99 8.197 -1.482 -5.941 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.388 -0.606 -6.336 1.00 0.00 C ATOM 1531 CG2 ILE A 99 6.995 -0.796 -6.577 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.537 -0.550 -5.356 1.00 0.00 C ATOM 0 H ILE A 99 9.039 -3.183 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 99 8.420 -0.399 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 99 8.285 -2.525 -6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.772 -0.962 -7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.026 0.410 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.072 -0.860 -7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.079 -1.288 -6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.973 0.251 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.318 0.101 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.183 -0.159 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.940 -1.552 -5.210 1.00 0.00 H new ATOM 1544 N GLN A 100 5.833 -2.398 -4.599 1.00 0.00 N ATOM 1545 CA GLN A 100 4.437 -2.668 -4.287 1.00 0.00 C ATOM 1546 C GLN A 100 3.721 -1.850 -5.406 1.00 0.00 C ATOM 1547 O GLN A 100 3.766 -0.636 -5.378 1.00 0.00 O ATOM 1548 CB GLN A 100 3.961 -2.206 -2.928 1.00 0.00 C ATOM 1549 CG GLN A 100 4.613 -2.747 -1.669 1.00 0.00 C ATOM 1550 CD GLN A 100 3.927 -1.986 -0.501 1.00 0.00 C ATOM 1551 OE1 GLN A 100 3.568 -0.819 -0.566 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.766 -2.752 0.618 1.00 0.00 N ATOM 0 H GLN A 100 6.178 -2.929 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 100 4.241 -3.740 -4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.059 -1.121 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.897 -2.432 -2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.465 -3.823 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.689 -2.572 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.083 -3.722 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.329 -2.355 1.450 1.00 0.00 H new ATOM 1561 N THR A 101 3.129 -2.675 -6.272 1.00 0.00 N ATOM 1562 CA THR A 101 2.390 -2.232 -7.406 1.00 0.00 C ATOM 1563 C THR A 101 0.907 -2.515 -7.318 1.00 0.00 C ATOM 1564 O THR A 101 0.414 -3.612 -7.517 1.00 0.00 O ATOM 1565 CB THR A 101 2.879 -2.775 -8.760 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.265 -2.859 -8.850 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.269 -2.024 -9.944 1.00 0.00 C ATOM 0 H THR A 101 3.164 -3.690 -6.182 1.00 0.00 H new ATOM 0 HA THR A 101 2.572 -1.158 -7.374 1.00 0.00 H new ATOM 0 HB THR A 101 2.514 -3.800 -8.814 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.552 -2.581 -9.745 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.646 -2.446 -10.876 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.184 -2.120 -9.915 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.542 -0.970 -9.886 1.00 0.00 H new ATOM 1575 N TYR A 102 0.246 -1.409 -6.998 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.210 -1.604 -6.894 1.00 0.00 C ATOM 1577 C TYR A 102 -1.710 -1.705 -8.341 1.00 0.00 C ATOM 1578 O TYR A 102 -1.831 -0.669 -8.972 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.809 -0.398 -6.204 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.165 -0.056 -4.906 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.351 -0.786 -3.755 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.328 1.055 -4.815 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -0.706 -0.383 -2.597 1.00 0.00 C ATOM 1584 CE2 TYR A 102 0.281 1.396 -3.626 1.00 0.00 C ATOM 1585 CZ TYR A 102 0.109 0.743 -2.619 1.00 0.00 C ATOM 1586 OH TYR A 102 0.772 1.181 -1.489 1.00 0.00 O ATOM 0 H TYR A 102 0.623 -0.477 -6.824 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.484 -2.490 -6.322 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.736 0.461 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.870 -0.580 -6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.988 -1.658 -3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.153 1.660 -5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.836 -0.941 -1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.925 2.263 -3.591 1.00 0.00 H new ATOM 0 HH TYR A 102 1.293 1.983 -1.705 1.00 0.00 H new ATOM 1596 N THR A 103 -1.943 -2.968 -8.723 1.00 0.00 N ATOM 1597 CA THR A 103 -2.418 -3.261 -10.073 1.00 0.00 C ATOM 1598 C THR A 103 -3.922 -3.093 -9.983 1.00 0.00 C ATOM 1599 O THR A 103 -4.671 -3.958 -9.569 1.00 0.00 O ATOM 1600 CB THR A 103 -1.962 -4.641 -10.518 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.650 -4.733 -11.020 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.809 -5.327 -11.603 1.00 0.00 C ATOM 0 H THR A 103 -1.812 -3.785 -8.127 1.00 0.00 H new ATOM 0 HA THR A 103 -2.011 -2.600 -10.838 1.00 0.00 H new ATOM 0 HB THR A 103 -2.064 -5.138 -9.553 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.660 -5.207 -11.878 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.383 -6.303 -11.834 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.830 -5.453 -11.242 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.816 -4.712 -12.503 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.239 -1.848 -10.439 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.627 -1.452 -10.449 1.00 0.00 C ATOM 1612 C TYR A 104 -6.234 -1.085 -11.772 1.00 0.00 C ATOM 1613 O TYR A 104 -5.856 -0.168 -12.494 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.694 -0.315 -9.383 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.658 0.768 -9.633 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.949 0.425 -9.990 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.447 2.138 -9.554 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.924 1.378 -10.242 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.490 3.016 -9.824 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.720 2.548 -10.167 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.740 3.422 -10.436 1.00 0.00 O ATOM 0 H TYR A 104 -3.575 -1.154 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.258 -2.309 -10.215 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.931 -0.766 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.701 0.127 -9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.207 -0.620 -10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.474 2.521 -9.283 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.913 1.044 -10.519 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.322 4.081 -9.761 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.419 4.342 -10.331 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.262 -1.847 -12.142 1.00 0.00 N ATOM 1632 CA GLU A 105 -7.994 -1.673 -13.380 1.00 0.00 C ATOM 1633 C GLU A 105 -7.184 -1.573 -14.645 1.00 0.00 C ATOM 1634 O GLU A 105 -7.699 -1.013 -15.609 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.803 -0.352 -13.195 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.185 -0.720 -12.617 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.148 0.410 -12.857 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.368 0.806 -14.021 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.735 0.955 -11.906 1.00 0.00 O ATOM 0 H GLU A 105 -7.611 -2.617 -11.572 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.590 -2.573 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.277 0.327 -12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.913 0.165 -14.148 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.555 -1.632 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.102 -0.920 -11.549 1.00 0.00 H new ATOM 1646 N GLY A 106 -5.952 -2.109 -14.622 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.161 -2.022 -15.827 1.00 0.00 C ATOM 1648 C GLY A 106 -3.923 -1.155 -15.732 1.00 0.00 C ATOM 1649 O GLY A 106 -3.073 -1.051 -16.619 1.00 0.00 O ATOM 0 H GLY A 106 -5.516 -2.577 -13.827 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.857 -3.028 -16.115 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.792 -1.638 -16.628 1.00 0.00 H new ATOM 1653 N VAL A 107 -3.833 -0.483 -14.553 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.704 0.382 -14.324 1.00 0.00 C ATOM 1655 C VAL A 107 -1.608 -0.343 -13.560 1.00 0.00 C ATOM 1656 O VAL A 107 -1.917 -1.368 -12.987 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.233 1.482 -13.394 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.197 2.559 -13.146 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.471 2.200 -13.918 1.00 0.00 C ATOM 0 H VAL A 107 -4.510 -0.535 -13.792 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.298 0.741 -15.270 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.484 0.942 -12.481 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.613 3.318 -12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.315 2.116 -12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.917 3.019 -14.093 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.780 2.961 -13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.241 2.672 -14.873 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.279 1.481 -14.054 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.392 0.233 -13.601 1.00 0.00 N ATOM 1670 CA GLU A 108 0.683 -0.435 -12.885 1.00 0.00 C ATOM 1671 C GLU A 108 1.304 0.615 -11.940 1.00 0.00 C ATOM 1672 O GLU A 108 2.495 0.874 -12.053 1.00 0.00 O ATOM 1673 CB GLU A 108 1.671 -1.102 -13.805 1.00 0.00 C ATOM 1674 CG GLU A 108 1.282 -2.611 -13.867 1.00 0.00 C ATOM 1675 CD GLU A 108 1.584 -3.219 -15.209 1.00 0.00 C ATOM 1676 OE1 GLU A 108 2.503 -2.695 -15.861 1.00 0.00 O ATOM 1677 OE2 GLU A 108 0.923 -4.181 -15.600 1.00 0.00 O ATOM 0 H GLU A 108 -0.149 1.096 -14.087 1.00 0.00 H new ATOM 0 HA GLU A 108 0.301 -1.269 -12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.638 -0.653 -14.798 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.688 -0.980 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.822 -3.156 -13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.219 -2.720 -13.651 1.00 0.00 H new ATOM 1684 N ALA A 109 0.415 1.138 -11.061 1.00 0.00 N ATOM 1685 CA ALA A 109 0.979 2.111 -10.178 1.00 0.00 C ATOM 1686 C ALA A 109 1.705 1.454 -8.970 1.00 0.00 C ATOM 1687 O ALA A 109 1.074 0.622 -8.343 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.241 2.657 -9.406 1.00 0.00 C ATOM 0 H ALA A 109 -0.577 0.919 -10.966 1.00 0.00 H new ATOM 0 HA ALA A 109 1.615 2.775 -10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.088 3.417 -8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.948 3.098 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.725 1.842 -8.867 1.00 0.00 H new ATOM 1694 N LYS A 110 2.935 1.947 -8.838 1.00 0.00 N ATOM 1695 CA LYS A 110 3.731 1.451 -7.775 1.00 0.00 C ATOM 1696 C LYS A 110 4.271 2.664 -7.021 1.00 0.00 C ATOM 1697 O LYS A 110 4.086 3.767 -7.515 1.00 0.00 O ATOM 1698 CB LYS A 110 4.955 0.630 -8.231 1.00 0.00 C ATOM 1699 CG LYS A 110 5.015 0.595 -9.758 1.00 0.00 C ATOM 1700 CD LYS A 110 6.104 -0.368 -10.286 1.00 0.00 C ATOM 1701 CE LYS A 110 7.281 0.288 -10.988 1.00 0.00 C ATOM 1702 NZ LYS A 110 8.428 -0.599 -11.168 1.00 0.00 N ATOM 0 H LYS A 110 3.365 2.655 -9.434 1.00 0.00 H new ATOM 0 HA LYS A 110 3.100 0.791 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.869 1.070 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.891 -0.384 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.044 0.291 -10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.210 1.599 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.484 -0.951 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.638 -1.070 -10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.955 0.648 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.594 1.160 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.191 -0.085 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.765 -0.924 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.146 -1.420 -11.741 1.00 0.00 H new ATOM 1716 N ARG A 111 4.896 2.311 -5.890 1.00 0.00 N ATOM 1717 CA ARG A 111 5.466 3.409 -5.075 1.00 0.00 C ATOM 1718 C ARG A 111 6.865 2.806 -4.770 1.00 0.00 C ATOM 1719 O ARG A 111 6.941 1.658 -4.406 1.00 0.00 O ATOM 1720 CB ARG A 111 4.669 3.730 -3.843 1.00 0.00 C ATOM 1721 CG ARG A 111 3.220 4.168 -4.176 1.00 0.00 C ATOM 1722 CD ARG A 111 2.754 5.184 -3.148 1.00 0.00 C ATOM 1723 NE ARG A 111 3.097 6.517 -3.643 1.00 0.00 N ATOM 1724 CZ ARG A 111 2.407 7.084 -4.648 1.00 0.00 C ATOM 1725 NH1 ARG A 111 1.387 6.412 -5.216 1.00 0.00 N ATOM 1726 NH2 ARG A 111 2.670 8.300 -5.141 1.00 0.00 N ATOM 0 H ARG A 111 5.018 1.363 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 111 5.482 4.380 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.641 2.855 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.167 4.524 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.179 4.600 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.557 3.303 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.679 5.101 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.232 5.000 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 111 3.873 7.025 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.143 5.479 -4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.859 6.836 -5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.433 8.854 -4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.107 8.673 -5.906 1.00 0.00 H new ATOM 1740 N ILE A 112 7.847 3.736 -4.982 1.00 0.00 N ATOM 1741 CA ILE A 112 9.183 3.275 -4.727 1.00 0.00 C ATOM 1742 C ILE A 112 9.606 3.398 -3.260 1.00 0.00 C ATOM 1743 O ILE A 112 10.230 4.401 -2.940 1.00 0.00 O ATOM 1744 CB ILE A 112 10.191 3.891 -5.699 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.973 5.419 -5.827 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.084 3.403 -7.115 1.00 0.00 C ATOM 1747 CD1 ILE A 112 11.199 6.262 -6.194 1.00 0.00 C ATOM 0 H ILE A 112 7.731 4.700 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 112 9.177 2.202 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 112 11.151 3.606 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.204 5.591 -6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.579 5.787 -4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.839 3.896 -7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.243 2.325 -7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.093 3.633 -7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 112 10.914 7.312 -6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.968 6.136 -5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.588 5.938 -7.159 1.00 0.00 H new ATOM 1759 N PHE A 113 9.198 2.326 -2.564 1.00 0.00 N ATOM 1760 CA PHE A 113 9.493 2.220 -1.158 1.00 0.00 C ATOM 1761 C PHE A 113 10.830 1.460 -1.092 1.00 0.00 C ATOM 1762 O PHE A 113 11.317 1.121 -2.161 1.00 0.00 O ATOM 1763 CB PHE A 113 8.482 1.394 -0.355 1.00 0.00 C ATOM 1764 CG PHE A 113 7.165 2.073 -0.220 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.903 3.338 -0.775 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.116 1.481 0.470 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.637 3.857 -0.583 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.891 2.099 0.600 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.657 3.173 0.130 1.00 0.00 C ATOM 0 H PHE A 113 8.674 1.544 -2.957 1.00 0.00 H new ATOM 0 HA PHE A 113 9.489 3.223 -0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.340 0.428 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.887 1.195 0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.657 3.880 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.264 0.509 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.400 4.825 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.111 1.592 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.680 3.615 0.259 1.00 0.00 H new ATOM 1779 N LYS A 114 11.267 1.285 0.165 1.00 0.00 N ATOM 1780 CA LYS A 114 12.521 0.579 0.345 1.00 0.00 C ATOM 1781 C LYS A 114 12.601 -0.089 1.721 1.00 0.00 C ATOM 1782 O LYS A 114 11.651 -0.301 2.419 1.00 0.00 O ATOM 1783 CB LYS A 114 13.686 1.478 -0.026 1.00 0.00 C ATOM 1784 CG LYS A 114 13.468 2.957 0.296 1.00 0.00 C ATOM 1785 CD LYS A 114 13.247 3.141 1.815 1.00 0.00 C ATOM 1786 CE LYS A 114 12.367 4.351 2.146 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.082 5.607 2.148 1.00 0.00 N ATOM 0 H LYS A 114 10.799 1.603 1.014 1.00 0.00 H new ATOM 0 HA LYS A 114 12.579 -0.261 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.577 1.132 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.883 1.376 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.331 3.539 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.605 3.334 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.787 2.241 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 114 14.213 3.255 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.554 4.407 1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.912 4.201 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.426 6.380 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.841 5.573 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.495 5.773 1.208 1.00 0.00 H new ATOM 1801 N LYS A 115 13.830 -0.441 2.078 1.00 0.00 N ATOM 1802 CA LYS A 115 14.163 -1.102 3.333 1.00 0.00 C ATOM 1803 C LYS A 115 15.087 -0.352 4.233 1.00 0.00 C ATOM 1804 O LYS A 115 14.825 0.748 4.689 1.00 0.00 O ATOM 1805 CB LYS A 115 14.618 -2.516 2.864 1.00 0.00 C ATOM 1806 CG LYS A 115 14.575 -3.385 4.126 1.00 0.00 C ATOM 1807 CD LYS A 115 15.197 -4.768 3.855 1.00 0.00 C ATOM 1808 CE LYS A 115 15.005 -5.756 4.971 1.00 0.00 C ATOM 1809 NZ LYS A 115 15.650 -7.053 4.856 1.00 0.00 N ATOM 0 H LYS A 115 14.644 -0.270 1.487 1.00 0.00 H new ATOM 0 HA LYS A 115 13.321 -1.162 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.956 -2.908 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.621 -2.487 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.115 -2.890 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.543 -3.503 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.763 -5.177 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.265 -4.645 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.355 -5.290 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.934 -5.925 5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.430 -7.626 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.303 -7.539 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.680 -6.924 4.786 1.00 0.00 H new ATOM 1823 N GLU A 116 16.242 -0.988 4.506 1.00 0.00 N ATOM 1824 CA GLU A 116 17.256 -0.423 5.357 1.00 0.00 C ATOM 1825 C GLU A 116 18.640 -0.389 4.642 1.00 0.00 C ATOM 1826 O GLU A 116 19.521 0.260 5.162 1.00 0.00 O ATOM 1827 CB GLU A 116 17.298 -1.369 6.574 1.00 0.00 C ATOM 1828 CG GLU A 116 18.596 -1.493 7.343 1.00 0.00 C ATOM 1829 CD GLU A 116 18.933 -0.238 8.157 1.00 0.00 C ATOM 1830 OE1 GLU A 116 18.764 0.885 7.666 1.00 0.00 O ATOM 1831 OE2 GLU A 116 19.368 -0.443 9.299 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.798 -1.012 3.593 1.00 0.00 O ATOM 0 H GLU A 116 16.479 -1.907 4.133 1.00 0.00 H new ATOM 0 HA GLU A 116 17.035 0.609 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.527 -1.045 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.019 -2.365 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.533 -2.349 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 116 19.408 -1.695 6.644 1.00 0.00 H new TER 1839 GLU A 116