USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -4.24! C(o=-4.6!,f=-9!) USER MOD Set 1.2: A 6 TYR OH : rot -18:sc= 0.397 USER MOD Set 1.3: A 78 SER OG : rot 40:sc= -0.744! USER MOD Set 2.1: A 3 GLN : amide:sc= -8.56! C(o=-8.2!,f=-13!) USER MOD Set 2.2: A 64 TYR OH : rot 56:sc= 0.319 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 75:sc= 0.688 USER MOD Single : A 15 HIS : no HD1:sc= -10.1! C(o=-10!,f=-9.9!) USER MOD Single : A 20 THR OG1 : rot 100:sc= 0.406 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.389 K(o=-0.39,f=-4.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.363 (180deg=-0.969) USER MOD Single : A 31 SER OG : rot 69:sc= -1.9 USER MOD Single : A 34 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.1) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 38 ASN :FLIP amide:sc= -10! C(o=-11!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.38 F(o=-2.6,f=-0.38) USER MOD Single : A 45 LYS NZ :NH3+ -125:sc= -0.167 (180deg=-1.34) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 148:sc= -0.962! (180deg=-3.21!) USER MOD Single : A 52 SER OG : rot -37:sc= 0.811 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 170:sc= -2.56 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -2.72! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.868 F(o=-3.6!,f=-0.87) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -7.092 -0.935 11.667 1.00 0.00 N ATOM 19 CA GLU A 2 -5.990 -1.882 11.632 1.00 0.00 C ATOM 20 C GLU A 2 -5.063 -1.575 10.453 1.00 0.00 C ATOM 21 O GLU A 2 -5.528 -1.314 9.345 1.00 0.00 O ATOM 22 CB GLU A 2 -6.506 -3.321 11.563 1.00 0.00 C ATOM 23 CG GLU A 2 -6.153 -3.966 10.222 1.00 0.00 C ATOM 24 CD GLU A 2 -6.198 -5.493 10.321 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.569 -6.036 11.372 1.00 0.00 O ATOM 26 OE2 GLU A 2 -5.830 -6.119 9.254 1.00 0.00 O ATOM 0 HA GLU A 2 -5.419 -1.779 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.075 -3.905 12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.587 -3.331 11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.850 -3.627 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.158 -3.647 9.911 1.00 0.00 H new ATOM 34 N GLN A 3 -3.769 -1.617 10.733 1.00 0.00 N ATOM 35 CA GLN A 3 -2.773 -1.348 9.710 1.00 0.00 C ATOM 36 C GLN A 3 -1.835 -2.546 9.554 1.00 0.00 C ATOM 37 O GLN A 3 -1.962 -3.537 10.272 1.00 0.00 O ATOM 38 CB GLN A 3 -1.988 -0.075 10.033 1.00 0.00 C ATOM 39 CG GLN A 3 -1.031 -0.302 11.204 1.00 0.00 C ATOM 40 CD GLN A 3 0.305 0.403 10.966 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.412 1.343 10.194 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.315 -0.099 11.670 1.00 0.00 N ATOM 0 H GLN A 3 -3.387 -1.833 11.654 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.287 -1.189 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.425 0.242 9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.680 0.731 10.276 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.483 0.069 12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.863 -1.371 11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.157 -0.887 12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.248 0.304 11.582 1.00 0.00 H new ATOM 51 N ASN A 4 -0.915 -2.417 8.609 1.00 0.00 N ATOM 52 CA ASN A 4 0.045 -3.476 8.349 1.00 0.00 C ATOM 53 C ASN A 4 1.296 -2.878 7.704 1.00 0.00 C ATOM 54 O ASN A 4 1.198 -2.091 6.764 1.00 0.00 O ATOM 55 CB ASN A 4 -0.532 -4.517 7.388 1.00 0.00 C ATOM 56 CG ASN A 4 -1.283 -5.610 8.150 1.00 0.00 C ATOM 57 OD1 ASN A 4 -2.334 -5.389 8.731 1.00 0.00 O ATOM 58 ND2 ASN A 4 -0.689 -6.800 8.116 1.00 0.00 N ATOM 0 H ASN A 4 -0.814 -1.595 8.014 1.00 0.00 H new ATOM 0 HA ASN A 4 0.285 -3.955 9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.206 -4.032 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.273 -4.963 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.112 -7.595 8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.190 -6.917 7.612 1.00 0.00 H new ATOM 65 N SER A 5 2.444 -3.276 8.233 1.00 0.00 N ATOM 66 CA SER A 5 3.714 -2.789 7.720 1.00 0.00 C ATOM 67 C SER A 5 4.341 -3.836 6.798 1.00 0.00 C ATOM 68 O SER A 5 3.998 -5.015 6.867 1.00 0.00 O ATOM 69 CB SER A 5 4.673 -2.443 8.861 1.00 0.00 C ATOM 70 OG SER A 5 4.038 -2.521 10.135 1.00 0.00 O ATOM 0 H SER A 5 2.521 -3.930 9.012 1.00 0.00 H new ATOM 0 HA SER A 5 3.527 -1.878 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.524 -3.123 8.838 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.065 -1.437 8.712 1.00 0.00 H new ATOM 0 HG SER A 5 4.684 -2.295 10.837 1.00 0.00 H new ATOM 76 N TYR A 6 5.249 -3.367 5.955 1.00 0.00 N ATOM 77 CA TYR A 6 5.928 -4.248 5.021 1.00 0.00 C ATOM 78 C TYR A 6 7.291 -3.679 4.620 1.00 0.00 C ATOM 79 O TYR A 6 7.669 -2.596 5.064 1.00 0.00 O ATOM 80 CB TYR A 6 5.035 -4.319 3.782 1.00 0.00 C ATOM 81 CG TYR A 6 3.638 -4.883 4.053 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.498 -6.096 4.698 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.519 -4.181 3.653 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.184 -6.628 4.952 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.206 -4.713 3.907 1.00 0.00 C ATOM 86 CZ TYR A 6 1.103 -5.910 4.545 1.00 0.00 C ATOM 87 OH TYR A 6 -0.137 -6.412 4.786 1.00 0.00 O ATOM 0 H TYR A 6 5.530 -2.388 5.899 1.00 0.00 H new ATOM 0 HA TYR A 6 6.097 -5.226 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.936 -3.319 3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.525 -4.936 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.373 -6.645 5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.629 -3.232 3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.060 -7.576 5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.323 -4.174 3.598 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.070 -7.371 4.976 1.00 0.00 H new ATOM 97 N VAL A 7 7.990 -4.432 3.785 1.00 0.00 N ATOM 98 CA VAL A 7 9.302 -4.016 3.319 1.00 0.00 C ATOM 99 C VAL A 7 9.368 -4.161 1.798 1.00 0.00 C ATOM 100 O VAL A 7 8.877 -5.143 1.242 1.00 0.00 O ATOM 101 CB VAL A 7 10.391 -4.811 4.044 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.784 -5.952 4.862 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.433 -5.338 3.056 1.00 0.00 C ATOM 0 H VAL A 7 7.672 -5.329 3.418 1.00 0.00 H new ATOM 0 HA VAL A 7 9.475 -2.966 3.553 1.00 0.00 H new ATOM 0 HB VAL A 7 10.896 -4.136 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.579 -6.501 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.098 -5.543 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.242 -6.627 4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.196 -5.899 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.948 -5.991 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.899 -4.500 2.537 1.00 0.00 H new ATOM 113 N ILE A 8 9.980 -3.169 1.167 1.00 0.00 N ATOM 114 CA ILE A 8 10.117 -3.174 -0.279 1.00 0.00 C ATOM 115 C ILE A 8 11.327 -4.024 -0.669 1.00 0.00 C ATOM 116 O ILE A 8 12.419 -3.839 -0.134 1.00 0.00 O ATOM 117 CB ILE A 8 10.172 -1.742 -0.817 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.918 -0.960 -0.422 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.401 -1.734 -2.330 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.650 -1.714 -0.831 1.00 0.00 C ATOM 0 H ILE A 8 10.386 -2.357 1.631 1.00 0.00 H new ATOM 0 HA ILE A 8 9.243 -3.631 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 8 11.023 -1.237 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.914 -0.792 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.932 0.021 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.436 -0.705 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.345 -2.230 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.585 -2.262 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.773 -1.136 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.645 -1.859 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.627 -2.684 -0.335 1.00 0.00 H new ATOM 132 N ILE A 9 11.093 -4.939 -1.600 1.00 0.00 N ATOM 133 CA ILE A 9 12.150 -5.818 -2.068 1.00 0.00 C ATOM 134 C ILE A 9 12.287 -5.681 -3.586 1.00 0.00 C ATOM 135 O ILE A 9 13.159 -6.301 -4.192 1.00 0.00 O ATOM 136 CB ILE A 9 11.900 -7.252 -1.600 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.684 -7.856 -2.306 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.770 -7.318 -0.077 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.731 -9.385 -2.269 1.00 0.00 C ATOM 0 H ILE A 9 10.186 -5.090 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 9 13.107 -5.528 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 9 12.765 -7.856 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.770 -7.505 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.653 -7.515 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.593 -8.349 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.690 -6.956 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.935 -6.696 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.855 -9.788 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.634 -9.733 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.737 -9.724 -1.233 1.00 0.00 H new ATOM 151 N ASP A 10 11.413 -4.864 -4.156 1.00 0.00 N ATOM 152 CA ASP A 10 11.426 -4.638 -5.591 1.00 0.00 C ATOM 153 C ASP A 10 12.288 -3.413 -5.902 1.00 0.00 C ATOM 154 O ASP A 10 12.045 -2.328 -5.377 1.00 0.00 O ATOM 155 CB ASP A 10 10.014 -4.369 -6.118 1.00 0.00 C ATOM 156 CG ASP A 10 9.928 -4.086 -7.619 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.833 -3.915 -8.175 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.062 -4.044 -8.232 1.00 0.00 O ATOM 0 H ASP A 10 10.691 -4.351 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 10 11.826 -5.531 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.387 -5.231 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.597 -3.519 -5.579 1.00 0.00 H new ATOM 164 N GLU A 11 13.279 -3.629 -6.755 1.00 0.00 N ATOM 165 CA GLU A 11 14.179 -2.557 -7.143 1.00 0.00 C ATOM 166 C GLU A 11 13.425 -1.496 -7.947 1.00 0.00 C ATOM 167 O GLU A 11 13.958 -0.419 -8.214 1.00 0.00 O ATOM 168 CB GLU A 11 15.371 -3.100 -7.934 1.00 0.00 C ATOM 169 CG GLU A 11 15.022 -3.252 -9.415 1.00 0.00 C ATOM 170 CD GLU A 11 13.994 -4.364 -9.626 1.00 0.00 C ATOM 171 OE1 GLU A 11 14.039 -5.391 -8.931 1.00 0.00 O ATOM 172 OE2 GLU A 11 13.123 -4.135 -10.550 1.00 0.00 O ATOM 0 H GLU A 11 13.478 -4.531 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 11 14.568 -2.091 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.222 -2.427 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.673 -4.065 -7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.628 -2.311 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.925 -3.474 -9.984 1.00 0.00 H new ATOM 180 N THR A 12 12.198 -1.836 -8.311 1.00 0.00 N ATOM 181 CA THR A 12 11.366 -0.926 -9.079 1.00 0.00 C ATOM 182 C THR A 12 10.584 0.000 -8.145 1.00 0.00 C ATOM 183 O THR A 12 10.049 1.020 -8.579 1.00 0.00 O ATOM 184 CB THR A 12 10.469 -1.763 -9.994 1.00 0.00 C ATOM 185 OG1 THR A 12 11.386 -2.530 -10.770 1.00 0.00 O ATOM 186 CG2 THR A 12 9.728 -0.911 -11.026 1.00 0.00 C ATOM 0 H THR A 12 11.760 -2.730 -8.088 1.00 0.00 H new ATOM 0 HA THR A 12 11.972 -0.270 -9.704 1.00 0.00 H new ATOM 0 HB THR A 12 9.746 -2.312 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.763 -3.246 -10.217 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.106 -1.554 -11.649 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.099 -0.184 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.451 -0.388 -11.652 1.00 0.00 H new ATOM 194 N GLY A 13 10.543 -0.387 -6.879 1.00 0.00 N ATOM 195 CA GLY A 13 9.836 0.395 -5.879 1.00 0.00 C ATOM 196 C GLY A 13 8.379 0.617 -6.287 1.00 0.00 C ATOM 197 O GLY A 13 8.104 1.205 -7.332 1.00 0.00 O ATOM 0 H GLY A 13 10.988 -1.233 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.874 -0.117 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.331 1.357 -5.747 1.00 0.00 H new ATOM 201 N ILE A 14 7.480 0.134 -5.440 1.00 0.00 N ATOM 202 CA ILE A 14 6.057 0.272 -5.699 1.00 0.00 C ATOM 203 C ILE A 14 5.834 1.404 -6.703 1.00 0.00 C ATOM 204 O ILE A 14 6.015 2.575 -6.374 1.00 0.00 O ATOM 205 CB ILE A 14 5.289 0.452 -4.388 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.426 -0.775 -4.086 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.466 1.741 -4.407 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.005 -0.592 -4.625 1.00 0.00 C ATOM 0 H ILE A 14 7.710 -0.353 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 14 5.661 -0.638 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 14 6.012 0.544 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.877 -1.661 -4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.392 -0.944 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.930 1.844 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.130 2.595 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.750 1.704 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.413 -1.478 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.548 0.280 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.041 -0.448 -5.705 1.00 0.00 H new ATOM 220 N HIS A 15 5.442 1.016 -7.907 1.00 0.00 N ATOM 221 CA HIS A 15 5.192 1.984 -8.962 1.00 0.00 C ATOM 222 C HIS A 15 3.687 2.081 -9.222 1.00 0.00 C ATOM 223 O HIS A 15 2.884 1.583 -8.435 1.00 0.00 O ATOM 224 CB HIS A 15 5.990 1.636 -10.219 1.00 0.00 C ATOM 225 CG HIS A 15 6.291 0.163 -10.368 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.836 -0.591 -11.435 1.00 0.00 N ATOM 227 CD2 HIS A 15 7.006 -0.684 -9.574 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.263 -1.834 -11.280 1.00 0.00 C ATOM 229 NE2 HIS A 15 6.988 -1.891 -10.126 1.00 0.00 N ATOM 0 H HIS A 15 5.291 0.044 -8.176 1.00 0.00 H new ATOM 0 HA HIS A 15 5.536 2.969 -8.646 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.435 1.973 -11.094 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.929 2.189 -10.205 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.503 -0.418 -8.653 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.071 -2.659 -11.950 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.441 -2.724 -9.749 1.00 0.00 H new ATOM 237 N ALA A 16 3.351 2.726 -10.329 1.00 0.00 N ATOM 238 CA ALA A 16 1.958 2.895 -10.704 1.00 0.00 C ATOM 239 C ALA A 16 1.357 1.530 -11.047 1.00 0.00 C ATOM 240 O ALA A 16 0.155 1.320 -10.890 1.00 0.00 O ATOM 241 CB ALA A 16 1.857 3.885 -11.865 1.00 0.00 C ATOM 0 H ALA A 16 4.020 3.138 -10.979 1.00 0.00 H new ATOM 0 HA ALA A 16 1.385 3.308 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.811 4.011 -12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.269 4.847 -11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.418 3.504 -12.718 1.00 0.00 H new ATOM 247 N ARG A 17 2.221 0.639 -11.510 1.00 0.00 N ATOM 248 CA ARG A 17 1.791 -0.699 -11.877 1.00 0.00 C ATOM 249 C ARG A 17 1.101 -1.379 -10.692 1.00 0.00 C ATOM 250 O ARG A 17 -0.093 -1.668 -10.748 1.00 0.00 O ATOM 251 CB ARG A 17 2.977 -1.554 -12.327 1.00 0.00 C ATOM 252 CG ARG A 17 2.884 -1.879 -13.820 1.00 0.00 C ATOM 253 CD ARG A 17 3.678 -3.144 -14.156 1.00 0.00 C ATOM 254 NE ARG A 17 2.878 -4.345 -13.827 1.00 0.00 N ATOM 255 CZ ARG A 17 3.329 -5.602 -13.944 1.00 0.00 C ATOM 256 NH1 ARG A 17 4.574 -5.829 -14.380 1.00 0.00 N ATOM 257 NH2 ARG A 17 2.533 -6.630 -13.622 1.00 0.00 N ATOM 0 H ARG A 17 3.217 0.818 -11.639 1.00 0.00 H new ATOM 0 HA ARG A 17 1.089 -0.606 -12.706 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.909 -1.026 -12.124 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.003 -2.479 -11.751 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.840 -2.015 -14.102 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.265 -1.040 -14.403 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.939 -3.149 -15.214 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.614 -3.156 -13.597 1.00 0.00 H new ATOM 0 HE ARG A 17 1.925 -4.208 -13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.180 -5.045 -14.623 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.917 -6.786 -14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.585 -6.456 -13.288 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.875 -7.587 -13.711 1.00 0.00 H new ATOM 271 N PRO A 18 1.904 -1.620 -9.621 1.00 0.00 N ATOM 272 CA PRO A 18 1.382 -2.259 -8.425 1.00 0.00 C ATOM 273 C PRO A 18 0.528 -1.286 -7.610 1.00 0.00 C ATOM 274 O PRO A 18 -0.595 -1.610 -7.228 1.00 0.00 O ATOM 275 CB PRO A 18 2.611 -2.745 -7.672 1.00 0.00 C ATOM 276 CG PRO A 18 3.784 -1.957 -8.235 1.00 0.00 C ATOM 277 CD PRO A 18 3.322 -1.290 -9.520 1.00 0.00 C ATOM 0 HA PRO A 18 0.713 -3.090 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.505 -2.575 -6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.757 -3.816 -7.812 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.122 -1.210 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.629 -2.617 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.476 -0.212 -9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.877 -1.662 -10.381 1.00 0.00 H new ATOM 285 N ALA A 19 1.093 -0.112 -7.369 1.00 0.00 N ATOM 286 CA ALA A 19 0.398 0.911 -6.606 1.00 0.00 C ATOM 287 C ALA A 19 -1.070 0.952 -7.037 1.00 0.00 C ATOM 288 O ALA A 19 -1.944 1.301 -6.245 1.00 0.00 O ATOM 289 CB ALA A 19 1.099 2.257 -6.797 1.00 0.00 C ATOM 0 H ALA A 19 2.024 0.154 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 19 0.424 0.679 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.577 3.024 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.129 2.183 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.091 2.525 -7.854 1.00 0.00 H new ATOM 295 N THR A 20 -1.296 0.590 -8.292 1.00 0.00 N ATOM 296 CA THR A 20 -2.641 0.582 -8.837 1.00 0.00 C ATOM 297 C THR A 20 -3.458 -0.557 -8.224 1.00 0.00 C ATOM 298 O THR A 20 -4.514 -0.323 -7.637 1.00 0.00 O ATOM 299 CB THR A 20 -2.534 0.500 -10.361 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.605 1.858 -10.788 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.758 -0.157 -11.001 1.00 0.00 C ATOM 0 H THR A 20 -0.569 0.300 -8.946 1.00 0.00 H new ATOM 0 HA THR A 20 -3.175 1.497 -8.583 1.00 0.00 H new ATOM 0 HB THR A 20 -1.639 -0.061 -10.631 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.703 2.188 -10.981 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.630 -0.189 -12.083 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.868 -1.172 -10.618 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.650 0.421 -10.759 1.00 0.00 H new ATOM 309 N MET A 21 -2.939 -1.766 -8.381 1.00 0.00 N ATOM 310 CA MET A 21 -3.608 -2.942 -7.850 1.00 0.00 C ATOM 311 C MET A 21 -3.844 -2.805 -6.345 1.00 0.00 C ATOM 312 O MET A 21 -4.946 -3.058 -5.860 1.00 0.00 O ATOM 313 CB MET A 21 -2.752 -4.181 -8.122 1.00 0.00 C ATOM 314 CG MET A 21 -2.581 -4.410 -9.625 1.00 0.00 C ATOM 315 SD MET A 21 -2.111 -6.104 -9.935 1.00 0.00 S ATOM 316 CE MET A 21 -3.718 -6.822 -10.239 1.00 0.00 C ATOM 0 H MET A 21 -2.063 -1.957 -8.868 1.00 0.00 H new ATOM 0 HA MET A 21 -4.575 -3.042 -8.343 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.774 -4.062 -7.655 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.217 -5.056 -7.668 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.512 -4.181 -10.144 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.822 -3.735 -10.020 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.607 -7.885 -10.451 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.347 -6.691 -9.359 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.182 -6.328 -11.093 1.00 0.00 H new ATOM 326 N LEU A 22 -2.791 -2.407 -5.646 1.00 0.00 N ATOM 327 CA LEU A 22 -2.871 -2.233 -4.205 1.00 0.00 C ATOM 328 C LEU A 22 -3.945 -1.193 -3.880 1.00 0.00 C ATOM 329 O LEU A 22 -4.811 -1.432 -3.040 1.00 0.00 O ATOM 330 CB LEU A 22 -1.494 -1.896 -3.630 1.00 0.00 C ATOM 331 CG LEU A 22 -0.969 -2.843 -2.548 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.087 -3.934 -3.154 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.246 -2.067 -1.445 1.00 0.00 C ATOM 0 H LEU A 22 -1.878 -2.200 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.173 -3.164 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.775 -1.877 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.532 -0.888 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.822 -3.340 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.272 -4.592 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.667 -4.513 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.763 -3.476 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.117 -2.763 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.597 -1.525 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.936 -1.360 -0.985 1.00 0.00 H new ATOM 345 N VAL A 23 -3.852 -0.061 -4.561 1.00 0.00 N ATOM 346 CA VAL A 23 -4.805 1.016 -4.355 1.00 0.00 C ATOM 347 C VAL A 23 -6.203 0.539 -4.754 1.00 0.00 C ATOM 348 O VAL A 23 -7.181 0.822 -4.063 1.00 0.00 O ATOM 349 CB VAL A 23 -4.358 2.264 -5.120 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.559 3.136 -5.496 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.332 3.063 -4.315 1.00 0.00 C ATOM 0 H VAL A 23 -3.131 0.134 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.845 1.293 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.879 1.937 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.214 4.016 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.240 2.565 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.079 3.449 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.031 3.944 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.774 3.374 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.458 2.441 -4.120 1.00 0.00 H new ATOM 361 N GLN A 24 -6.253 -0.177 -5.867 1.00 0.00 N ATOM 362 CA GLN A 24 -7.515 -0.697 -6.367 1.00 0.00 C ATOM 363 C GLN A 24 -8.131 -1.661 -5.351 1.00 0.00 C ATOM 364 O GLN A 24 -9.224 -1.417 -4.842 1.00 0.00 O ATOM 365 CB GLN A 24 -7.329 -1.376 -7.725 1.00 0.00 C ATOM 366 CG GLN A 24 -8.589 -1.245 -8.581 1.00 0.00 C ATOM 367 CD GLN A 24 -8.672 -2.371 -9.613 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.512 -3.253 -9.541 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.757 -2.292 -10.575 1.00 0.00 N ATOM 0 H GLN A 24 -5.440 -0.410 -6.437 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.200 0.139 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.483 -0.928 -8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.092 -2.430 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.471 -1.268 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.589 -0.281 -9.089 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.083 -1.527 -10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.730 -2.997 -11.312 1.00 0.00 H new ATOM 378 N THR A 25 -7.402 -2.736 -5.086 1.00 0.00 N ATOM 379 CA THR A 25 -7.864 -3.738 -4.141 1.00 0.00 C ATOM 380 C THR A 25 -8.169 -3.093 -2.788 1.00 0.00 C ATOM 381 O THR A 25 -9.006 -3.590 -2.033 1.00 0.00 O ATOM 382 CB THR A 25 -6.805 -4.839 -4.064 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.376 -5.922 -4.791 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.635 -5.390 -2.647 1.00 0.00 C ATOM 0 H THR A 25 -6.495 -2.934 -5.509 1.00 0.00 H new ATOM 0 HA THR A 25 -8.800 -4.190 -4.469 1.00 0.00 H new ATOM 0 HB THR A 25 -5.851 -4.450 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.754 -6.679 -4.793 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.872 -6.168 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.331 -4.585 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.581 -5.810 -2.304 1.00 0.00 H new ATOM 392 N ALA A 26 -7.476 -1.997 -2.520 1.00 0.00 N ATOM 393 CA ALA A 26 -7.663 -1.278 -1.271 1.00 0.00 C ATOM 394 C ALA A 26 -9.066 -0.670 -1.242 1.00 0.00 C ATOM 395 O ALA A 26 -9.813 -0.868 -0.285 1.00 0.00 O ATOM 396 CB ALA A 26 -6.566 -0.222 -1.120 1.00 0.00 C ATOM 0 H ALA A 26 -6.783 -1.588 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.581 -1.957 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.706 0.317 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.591 -0.709 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.618 0.479 -1.953 1.00 0.00 H new ATOM 402 N SER A 27 -9.382 0.059 -2.302 1.00 0.00 N ATOM 403 CA SER A 27 -10.682 0.698 -2.410 1.00 0.00 C ATOM 404 C SER A 27 -11.745 -0.339 -2.779 1.00 0.00 C ATOM 405 O SER A 27 -12.856 -0.311 -2.250 1.00 0.00 O ATOM 406 CB SER A 27 -10.658 1.825 -3.445 1.00 0.00 C ATOM 407 OG SER A 27 -9.756 1.550 -4.513 1.00 0.00 O ATOM 0 H SER A 27 -8.760 0.221 -3.094 1.00 0.00 H new ATOM 0 HA SER A 27 -10.930 1.135 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.661 1.970 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.371 2.757 -2.959 1.00 0.00 H new ATOM 0 HG SER A 27 -9.771 2.292 -5.153 1.00 0.00 H new ATOM 413 N LYS A 28 -11.369 -1.228 -3.686 1.00 0.00 N ATOM 414 CA LYS A 28 -12.276 -2.272 -4.133 1.00 0.00 C ATOM 415 C LYS A 28 -13.171 -2.698 -2.967 1.00 0.00 C ATOM 416 O LYS A 28 -14.348 -2.997 -3.160 1.00 0.00 O ATOM 417 CB LYS A 28 -11.495 -3.428 -4.763 1.00 0.00 C ATOM 418 CG LYS A 28 -10.869 -3.005 -6.093 1.00 0.00 C ATOM 419 CD LYS A 28 -11.769 -3.391 -7.269 1.00 0.00 C ATOM 420 CE LYS A 28 -11.791 -4.907 -7.468 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.472 -5.493 -7.142 1.00 0.00 N ATOM 0 H LYS A 28 -10.448 -1.247 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.932 -1.896 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.714 -3.760 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.160 -4.276 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.704 -1.928 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.893 -3.477 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.782 -3.029 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.413 -2.906 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.559 -5.351 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.054 -5.140 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.427 -6.468 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.721 -4.925 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.340 -5.498 -6.110 1.00 0.00 H new ATOM 435 N PHE A 29 -12.578 -2.711 -1.782 1.00 0.00 N ATOM 436 CA PHE A 29 -13.306 -3.094 -0.584 1.00 0.00 C ATOM 437 C PHE A 29 -14.246 -1.975 -0.132 1.00 0.00 C ATOM 438 O PHE A 29 -15.361 -1.855 -0.636 1.00 0.00 O ATOM 439 CB PHE A 29 -12.267 -3.345 0.510 1.00 0.00 C ATOM 440 CG PHE A 29 -11.447 -4.622 0.308 1.00 0.00 C ATOM 441 CD1 PHE A 29 -12.052 -5.837 0.375 1.00 0.00 C ATOM 442 CD2 PHE A 29 -10.112 -4.539 0.061 1.00 0.00 C ATOM 443 CE1 PHE A 29 -11.291 -7.021 0.188 1.00 0.00 C ATOM 444 CE2 PHE A 29 -9.350 -5.723 -0.126 1.00 0.00 C ATOM 445 CZ PHE A 29 -9.956 -6.939 -0.059 1.00 0.00 C ATOM 0 H PHE A 29 -11.601 -2.462 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.909 -3.980 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.589 -2.493 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.774 -3.400 1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.112 -5.902 0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.632 -3.573 0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.772 -7.986 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.290 -5.658 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.377 -7.839 -0.202 1.00 0.00 H new ATOM 455 N ASP A 30 -13.759 -1.184 0.813 1.00 0.00 N ATOM 456 CA ASP A 30 -14.542 -0.078 1.339 1.00 0.00 C ATOM 457 C ASP A 30 -13.775 0.584 2.485 1.00 0.00 C ATOM 458 O ASP A 30 -13.654 1.807 2.530 1.00 0.00 O ATOM 459 CB ASP A 30 -15.884 -0.565 1.888 1.00 0.00 C ATOM 460 CG ASP A 30 -16.709 0.496 2.618 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.359 0.927 3.726 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.767 0.890 1.993 1.00 0.00 O ATOM 0 H ASP A 30 -12.833 -1.287 1.228 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.719 0.626 0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.476 -0.958 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.700 -1.394 2.571 1.00 0.00 H new ATOM 468 N SER A 31 -13.277 -0.253 3.383 1.00 0.00 N ATOM 469 CA SER A 31 -12.525 0.235 4.526 1.00 0.00 C ATOM 470 C SER A 31 -11.646 1.415 4.108 1.00 0.00 C ATOM 471 O SER A 31 -11.227 1.505 2.956 1.00 0.00 O ATOM 472 CB SER A 31 -11.667 -0.875 5.137 1.00 0.00 C ATOM 473 OG SER A 31 -11.888 -2.131 4.500 1.00 0.00 O ATOM 0 H SER A 31 -13.380 -1.267 3.342 1.00 0.00 H new ATOM 0 HA SER A 31 -13.234 0.568 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.614 -0.607 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.891 -0.963 6.200 1.00 0.00 H new ATOM 0 HG SER A 31 -11.532 -2.102 3.587 1.00 0.00 H new ATOM 479 N ASP A 32 -11.393 2.293 5.069 1.00 0.00 N ATOM 480 CA ASP A 32 -10.572 3.464 4.815 1.00 0.00 C ATOM 481 C ASP A 32 -9.098 3.098 5.003 1.00 0.00 C ATOM 482 O ASP A 32 -8.497 3.432 6.021 1.00 0.00 O ATOM 483 CB ASP A 32 -10.907 4.594 5.791 1.00 0.00 C ATOM 484 CG ASP A 32 -12.399 4.800 6.054 1.00 0.00 C ATOM 485 OD1 ASP A 32 -12.899 5.935 6.050 1.00 0.00 O ATOM 486 OD2 ASP A 32 -13.069 3.718 6.275 1.00 0.00 O ATOM 0 H ASP A 32 -11.742 2.216 6.024 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.767 3.798 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.411 4.393 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.490 5.524 5.404 1.00 0.00 H new ATOM 492 N ILE A 33 -8.559 2.416 4.003 1.00 0.00 N ATOM 493 CA ILE A 33 -7.167 2.001 4.045 1.00 0.00 C ATOM 494 C ILE A 33 -6.274 3.192 3.696 1.00 0.00 C ATOM 495 O ILE A 33 -6.644 4.032 2.878 1.00 0.00 O ATOM 496 CB ILE A 33 -6.945 0.781 3.148 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.919 -0.344 3.500 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.488 0.317 3.206 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.696 -0.804 2.265 1.00 0.00 C ATOM 0 H ILE A 33 -9.061 2.140 3.159 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.894 1.682 5.051 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.150 1.073 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.370 -1.186 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.615 -0.001 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.357 -0.551 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.836 1.123 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.232 0.049 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.381 -1.605 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.263 0.034 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.998 -1.170 1.511 1.00 0.00 H new ATOM 511 N GLN A 34 -5.113 3.228 4.335 1.00 0.00 N ATOM 512 CA GLN A 34 -4.163 4.302 4.102 1.00 0.00 C ATOM 513 C GLN A 34 -2.744 3.741 3.987 1.00 0.00 C ATOM 514 O GLN A 34 -2.389 2.792 4.685 1.00 0.00 O ATOM 515 CB GLN A 34 -4.248 5.356 5.207 1.00 0.00 C ATOM 516 CG GLN A 34 -2.885 5.560 5.877 1.00 0.00 C ATOM 517 CD GLN A 34 -2.929 6.728 6.863 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.784 6.565 8.064 1.00 0.00 O ATOM 519 NE2 GLN A 34 -3.135 7.911 6.293 1.00 0.00 N ATOM 0 H GLN A 34 -4.809 2.530 5.014 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.417 4.788 3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.596 6.300 4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.981 5.048 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.593 4.649 6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.127 5.749 5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.248 7.977 5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.180 8.753 6.867 1.00 0.00 H new ATOM 528 N LEU A 35 -1.972 4.350 3.100 1.00 0.00 N ATOM 529 CA LEU A 35 -0.599 3.923 2.884 1.00 0.00 C ATOM 530 C LEU A 35 0.329 4.723 3.799 1.00 0.00 C ATOM 531 O LEU A 35 0.024 5.860 4.159 1.00 0.00 O ATOM 532 CB LEU A 35 -0.235 4.020 1.401 1.00 0.00 C ATOM 533 CG LEU A 35 0.987 3.215 0.957 1.00 0.00 C ATOM 534 CD1 LEU A 35 1.053 3.115 -0.568 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.272 3.797 1.550 1.00 0.00 C ATOM 0 H LEU A 35 -2.270 5.136 2.522 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.480 2.872 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.094 3.693 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.063 5.068 1.157 1.00 0.00 H new ATOM 0 HG LEU A 35 0.886 2.200 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.931 2.538 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.155 2.621 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.120 4.115 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.126 3.206 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.393 4.828 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.214 3.773 2.638 1.00 0.00 H new ATOM 547 N GLU A 36 1.444 4.100 4.150 1.00 0.00 N ATOM 548 CA GLU A 36 2.419 4.740 5.016 1.00 0.00 C ATOM 549 C GLU A 36 3.835 4.300 4.639 1.00 0.00 C ATOM 550 O GLU A 36 4.039 3.174 4.183 1.00 0.00 O ATOM 551 CB GLU A 36 2.126 4.440 6.487 1.00 0.00 C ATOM 552 CG GLU A 36 3.297 4.862 7.377 1.00 0.00 C ATOM 553 CD GLU A 36 3.075 4.416 8.824 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.890 5.261 9.712 1.00 0.00 O ATOM 555 OE2 GLU A 36 3.098 3.139 9.010 1.00 0.00 O ATOM 0 H GLU A 36 1.694 3.158 3.850 1.00 0.00 H new ATOM 0 HA GLU A 36 2.346 5.819 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.222 4.965 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.934 3.374 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.222 4.428 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.414 5.945 7.340 1.00 0.00 H new ATOM 563 N TYR A 37 4.777 5.209 4.841 1.00 0.00 N ATOM 564 CA TYR A 37 6.169 4.928 4.528 1.00 0.00 C ATOM 565 C TYR A 37 7.106 5.807 5.358 1.00 0.00 C ATOM 566 O TYR A 37 7.162 7.019 5.161 1.00 0.00 O ATOM 567 CB TYR A 37 6.345 5.270 3.047 1.00 0.00 C ATOM 568 CG TYR A 37 7.786 5.151 2.548 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.651 4.255 3.144 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.221 5.939 1.502 1.00 0.00 C ATOM 571 CE1 TYR A 37 10.007 4.143 2.674 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.579 5.826 1.032 1.00 0.00 C ATOM 573 CZ TYR A 37 10.404 4.933 1.641 1.00 0.00 C ATOM 574 OH TYR A 37 11.685 4.827 1.198 1.00 0.00 O ATOM 0 H TYR A 37 4.604 6.141 5.218 1.00 0.00 H new ATOM 0 HA TYR A 37 6.410 3.888 4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.711 4.611 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.995 6.288 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.310 3.638 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.544 6.640 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.694 3.447 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.933 6.437 0.215 1.00 0.00 H new ATOM 0 HH TYR A 37 11.827 5.451 0.456 1.00 0.00 H new ATOM 584 N ASN A 38 7.819 5.161 6.269 1.00 0.00 N ATOM 585 CA ASN A 38 8.751 5.868 7.130 1.00 0.00 C ATOM 586 C ASN A 38 8.035 7.051 7.786 1.00 0.00 C ATOM 587 O ASN A 38 8.530 8.176 7.751 1.00 0.00 O ATOM 588 CB ASN A 38 9.933 6.416 6.329 1.00 0.00 C ATOM 589 CG ASN A 38 9.461 7.403 5.259 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.643 6.980 4.012 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 8.963 8.480 5.549 1.00 0.00 N flip ATOM 0 H ASN A 38 7.770 4.155 6.429 1.00 0.00 H new ATOM 0 HA ASN A 38 9.118 5.166 7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.634 6.911 7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.470 5.593 5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.852 8.743 6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.658 9.116 4.812 1.00 0.00 H new ATOM 598 N GLY A 39 6.883 6.754 8.369 1.00 0.00 N ATOM 599 CA GLY A 39 6.095 7.780 9.032 1.00 0.00 C ATOM 600 C GLY A 39 5.377 8.665 8.012 1.00 0.00 C ATOM 601 O GLY A 39 4.728 9.643 8.381 1.00 0.00 O ATOM 0 H GLY A 39 6.476 5.819 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.364 7.312 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.743 8.393 9.658 1.00 0.00 H new ATOM 605 N LYS A 40 5.517 8.290 6.748 1.00 0.00 N ATOM 606 CA LYS A 40 4.890 9.039 5.672 1.00 0.00 C ATOM 607 C LYS A 40 3.614 8.319 5.233 1.00 0.00 C ATOM 608 O LYS A 40 3.657 7.438 4.375 1.00 0.00 O ATOM 609 CB LYS A 40 5.885 9.276 4.534 1.00 0.00 C ATOM 610 CG LYS A 40 6.017 10.769 4.225 1.00 0.00 C ATOM 611 CD LYS A 40 7.018 11.438 5.168 1.00 0.00 C ATOM 612 CE LYS A 40 7.154 12.930 4.855 1.00 0.00 C ATOM 613 NZ LYS A 40 7.606 13.672 6.053 1.00 0.00 N ATOM 0 H LYS A 40 6.055 7.478 6.446 1.00 0.00 H new ATOM 0 HA LYS A 40 4.595 10.030 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.859 8.870 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.556 8.744 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.339 10.903 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.044 11.251 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.694 11.308 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.990 10.953 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.865 13.074 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.197 13.325 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.693 14.683 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.913 13.550 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.530 13.306 6.360 1.00 0.00 H new ATOM 627 N LYS A 41 2.507 8.721 5.839 1.00 0.00 N ATOM 628 CA LYS A 41 1.220 8.125 5.521 1.00 0.00 C ATOM 629 C LYS A 41 0.583 8.887 4.358 1.00 0.00 C ATOM 630 O LYS A 41 0.815 10.085 4.196 1.00 0.00 O ATOM 631 CB LYS A 41 0.338 8.056 6.769 1.00 0.00 C ATOM 632 CG LYS A 41 1.089 7.414 7.937 1.00 0.00 C ATOM 633 CD LYS A 41 2.019 8.424 8.613 1.00 0.00 C ATOM 634 CE LYS A 41 1.898 8.347 10.136 1.00 0.00 C ATOM 635 NZ LYS A 41 0.650 9.002 10.591 1.00 0.00 N ATOM 0 H LYS A 41 2.474 9.453 6.549 1.00 0.00 H new ATOM 0 HA LYS A 41 1.349 7.093 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.016 9.060 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.562 7.481 6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.375 7.028 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.669 6.564 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.050 8.230 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.775 9.431 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.906 7.305 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.759 8.829 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.584 8.941 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.658 10.001 10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.169 8.525 10.163 1.00 0.00 H new ATOM 649 N VAL A 42 -0.208 8.164 3.580 1.00 0.00 N ATOM 650 CA VAL A 42 -0.880 8.758 2.437 1.00 0.00 C ATOM 651 C VAL A 42 -2.194 8.017 2.182 1.00 0.00 C ATOM 652 O VAL A 42 -2.613 7.191 2.992 1.00 0.00 O ATOM 653 CB VAL A 42 0.052 8.757 1.224 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.512 8.601 1.654 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.346 7.667 0.227 1.00 0.00 C ATOM 0 H VAL A 42 -0.399 7.172 3.719 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.128 9.800 2.639 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.048 9.720 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.153 8.603 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.789 9.429 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.635 7.660 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.333 7.688 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.289 6.692 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.366 7.843 -0.116 1.00 0.00 H new ATOM 665 N ASN A 43 -2.808 8.338 1.052 1.00 0.00 N ATOM 666 CA ASN A 43 -4.066 7.713 0.681 1.00 0.00 C ATOM 667 C ASN A 43 -3.783 6.481 -0.181 1.00 0.00 C ATOM 668 O ASN A 43 -3.246 6.598 -1.281 1.00 0.00 O ATOM 669 CB ASN A 43 -4.937 8.670 -0.134 1.00 0.00 C ATOM 670 CG ASN A 43 -6.371 8.698 0.399 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.114 7.667 0.005 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.775 9.594 1.121 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.458 9.022 0.382 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.590 7.440 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.513 9.673 -0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.940 8.363 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.151 10.356 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.737 9.581 1.460 1.00 0.00 H new ATOM 679 N LEU A 44 -4.158 5.327 0.352 1.00 0.00 N ATOM 680 CA LEU A 44 -3.950 4.075 -0.355 1.00 0.00 C ATOM 681 C LEU A 44 -4.986 3.949 -1.474 1.00 0.00 C ATOM 682 O LEU A 44 -5.244 2.850 -1.964 1.00 0.00 O ATOM 683 CB LEU A 44 -3.958 2.899 0.625 1.00 0.00 C ATOM 684 CG LEU A 44 -3.876 1.505 0.000 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.070 1.533 -1.300 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.318 0.489 0.999 1.00 0.00 C ATOM 0 H LEU A 44 -4.604 5.233 1.264 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.967 4.062 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.119 3.018 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.868 2.955 1.222 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.886 1.185 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.027 0.529 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.549 2.207 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.059 1.883 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.270 -0.494 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.318 0.793 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.968 0.443 1.873 1.00 0.00 H new ATOM 698 N LYS A 45 -5.550 5.088 -1.846 1.00 0.00 N ATOM 699 CA LYS A 45 -6.551 5.120 -2.899 1.00 0.00 C ATOM 700 C LYS A 45 -6.083 6.055 -4.015 1.00 0.00 C ATOM 701 O LYS A 45 -6.830 6.334 -4.951 1.00 0.00 O ATOM 702 CB LYS A 45 -7.921 5.485 -2.325 1.00 0.00 C ATOM 703 CG LYS A 45 -8.041 5.040 -0.865 1.00 0.00 C ATOM 704 CD LYS A 45 -8.617 3.627 -0.768 1.00 0.00 C ATOM 705 CE LYS A 45 -9.957 3.631 -0.029 1.00 0.00 C ATOM 706 NZ LYS A 45 -9.754 3.917 1.409 1.00 0.00 N ATOM 0 H LYS A 45 -5.333 5.997 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.669 4.131 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.073 6.562 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.705 5.014 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.060 5.070 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.680 5.735 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.751 3.215 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.913 2.978 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.618 4.380 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.448 2.665 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.183 3.159 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.735 3.968 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.201 4.825 1.649 1.00 0.00 H new ATOM 720 N SER A 46 -4.847 6.514 -3.879 1.00 0.00 N ATOM 721 CA SER A 46 -4.270 7.413 -4.864 1.00 0.00 C ATOM 722 C SER A 46 -2.873 6.930 -5.257 1.00 0.00 C ATOM 723 O SER A 46 -2.104 6.482 -4.408 1.00 0.00 O ATOM 724 CB SER A 46 -4.207 8.846 -4.332 1.00 0.00 C ATOM 725 OG SER A 46 -4.178 9.805 -5.384 1.00 0.00 O ATOM 0 H SER A 46 -4.229 6.280 -3.102 1.00 0.00 H new ATOM 0 HA SER A 46 -4.910 7.410 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.070 9.034 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.319 8.963 -3.710 1.00 0.00 H new ATOM 0 HG SER A 46 -4.140 10.707 -5.003 1.00 0.00 H new ATOM 731 N ILE A 47 -2.586 7.038 -6.546 1.00 0.00 N ATOM 732 CA ILE A 47 -1.294 6.618 -7.063 1.00 0.00 C ATOM 733 C ILE A 47 -0.277 7.743 -6.856 1.00 0.00 C ATOM 734 O ILE A 47 0.794 7.519 -6.294 1.00 0.00 O ATOM 735 CB ILE A 47 -1.421 6.164 -8.518 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.835 4.764 -8.709 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.789 7.184 -9.468 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.536 3.748 -7.805 1.00 0.00 C ATOM 0 H ILE A 47 -3.226 7.410 -7.248 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.927 5.751 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.481 6.106 -8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.939 4.461 -9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.232 4.779 -8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.893 6.837 -10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.292 8.145 -9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.268 7.298 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.100 2.761 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.409 4.040 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.598 3.718 -8.047 1.00 0.00 H new ATOM 750 N MET A 48 -0.649 8.926 -7.320 1.00 0.00 N ATOM 751 CA MET A 48 0.218 10.086 -7.192 1.00 0.00 C ATOM 752 C MET A 48 0.959 10.072 -5.854 1.00 0.00 C ATOM 753 O MET A 48 2.080 10.568 -5.756 1.00 0.00 O ATOM 754 CB MET A 48 -0.618 11.363 -7.301 1.00 0.00 C ATOM 755 CG MET A 48 -1.177 11.534 -8.715 1.00 0.00 C ATOM 756 SD MET A 48 -0.798 13.166 -9.327 1.00 0.00 S ATOM 757 CE MET A 48 -2.333 13.553 -10.151 1.00 0.00 C ATOM 0 H MET A 48 -1.539 9.107 -7.785 1.00 0.00 H new ATOM 0 HA MET A 48 0.956 10.055 -7.994 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.438 11.327 -6.584 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.005 12.226 -7.042 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.751 10.780 -9.377 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.256 11.380 -8.710 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.268 14.547 -10.593 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.520 12.819 -10.935 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.149 13.530 -9.429 1.00 0.00 H new ATOM 767 N GLY A 49 0.302 9.498 -4.856 1.00 0.00 N ATOM 768 CA GLY A 49 0.884 9.413 -3.528 1.00 0.00 C ATOM 769 C GLY A 49 1.778 8.178 -3.399 1.00 0.00 C ATOM 770 O GLY A 49 2.949 8.290 -3.039 1.00 0.00 O ATOM 0 H GLY A 49 -0.628 9.087 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.467 10.311 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.091 9.372 -2.781 1.00 0.00 H new ATOM 774 N VAL A 50 1.191 7.028 -3.700 1.00 0.00 N ATOM 775 CA VAL A 50 1.920 5.774 -3.623 1.00 0.00 C ATOM 776 C VAL A 50 3.141 5.840 -4.542 1.00 0.00 C ATOM 777 O VAL A 50 4.150 5.184 -4.288 1.00 0.00 O ATOM 778 CB VAL A 50 0.987 4.607 -3.950 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.751 3.280 -3.957 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.191 4.555 -2.976 1.00 0.00 C ATOM 0 H VAL A 50 0.219 6.939 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 50 2.286 5.607 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 50 0.586 4.770 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.065 2.466 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.540 3.318 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.193 3.110 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.838 3.716 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.182 4.429 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.758 5.483 -3.041 1.00 0.00 H new ATOM 790 N MET A 51 3.009 6.638 -5.591 1.00 0.00 N ATOM 791 CA MET A 51 4.089 6.799 -6.550 1.00 0.00 C ATOM 792 C MET A 51 5.138 7.784 -6.033 1.00 0.00 C ATOM 793 O MET A 51 6.330 7.479 -6.023 1.00 0.00 O ATOM 794 CB MET A 51 3.522 7.307 -7.878 1.00 0.00 C ATOM 795 CG MET A 51 2.534 6.301 -8.472 1.00 0.00 C ATOM 796 SD MET A 51 2.437 6.515 -10.242 1.00 0.00 S ATOM 797 CE MET A 51 4.170 6.420 -10.661 1.00 0.00 C ATOM 0 H MET A 51 2.170 7.180 -5.798 1.00 0.00 H new ATOM 0 HA MET A 51 4.567 5.831 -6.696 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.023 8.264 -7.723 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.336 7.482 -8.582 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.851 5.285 -8.237 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.549 6.439 -8.026 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.281 5.976 -11.650 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.599 7.422 -10.663 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.689 5.804 -9.926 1.00 0.00 H new ATOM 807 N SER A 52 4.659 8.946 -5.615 1.00 0.00 N ATOM 808 CA SER A 52 5.542 9.978 -5.098 1.00 0.00 C ATOM 809 C SER A 52 6.046 9.586 -3.708 1.00 0.00 C ATOM 810 O SER A 52 6.757 10.355 -3.062 1.00 0.00 O ATOM 811 CB SER A 52 4.832 11.333 -5.043 1.00 0.00 C ATOM 812 OG SER A 52 5.668 12.351 -4.501 1.00 0.00 O ATOM 0 H SER A 52 3.670 9.196 -5.624 1.00 0.00 H new ATOM 0 HA SER A 52 6.393 10.071 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.517 11.618 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.929 11.245 -4.439 1.00 0.00 H new ATOM 0 HG SER A 52 6.216 11.975 -3.781 1.00 0.00 H new ATOM 818 N LEU A 53 5.656 8.393 -3.287 1.00 0.00 N ATOM 819 CA LEU A 53 6.059 7.890 -1.985 1.00 0.00 C ATOM 820 C LEU A 53 7.438 7.235 -2.100 1.00 0.00 C ATOM 821 O LEU A 53 7.900 6.583 -1.165 1.00 0.00 O ATOM 822 CB LEU A 53 4.985 6.963 -1.411 1.00 0.00 C ATOM 823 CG LEU A 53 3.977 7.614 -0.461 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.354 7.353 1.000 1.00 0.00 C ATOM 825 CD2 LEU A 53 3.829 9.107 -0.757 1.00 0.00 C ATOM 0 H LEU A 53 5.065 7.759 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 53 6.153 8.710 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.437 6.517 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.480 6.149 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 53 3.003 7.155 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.622 7.826 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.367 6.279 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.342 7.768 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.107 9.545 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.793 9.600 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.481 9.242 -1.781 1.00 0.00 H new ATOM 837 N GLY A 54 8.057 7.432 -3.255 1.00 0.00 N ATOM 838 CA GLY A 54 9.372 6.869 -3.504 1.00 0.00 C ATOM 839 C GLY A 54 9.545 5.534 -2.778 1.00 0.00 C ATOM 840 O GLY A 54 10.550 5.317 -2.102 1.00 0.00 O ATOM 0 H GLY A 54 7.672 7.974 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.513 6.725 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.139 7.569 -3.173 1.00 0.00 H new ATOM 844 N VAL A 55 8.549 4.675 -2.940 1.00 0.00 N ATOM 845 CA VAL A 55 8.578 3.368 -2.307 1.00 0.00 C ATOM 846 C VAL A 55 9.757 2.564 -2.860 1.00 0.00 C ATOM 847 O VAL A 55 9.564 1.521 -3.482 1.00 0.00 O ATOM 848 CB VAL A 55 7.233 2.665 -2.498 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.174 1.367 -1.690 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.072 3.591 -2.132 1.00 0.00 C ATOM 0 H VAL A 55 7.717 4.859 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 55 8.728 3.467 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 55 7.136 2.409 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.208 0.887 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.968 0.697 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.304 1.591 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.128 3.066 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.163 3.893 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.097 4.475 -2.769 1.00 0.00 H new ATOM 860 N GLY A 56 10.952 3.081 -2.612 1.00 0.00 N ATOM 861 CA GLY A 56 12.161 2.424 -3.079 1.00 0.00 C ATOM 862 C GLY A 56 12.377 1.093 -2.355 1.00 0.00 C ATOM 863 O GLY A 56 11.700 0.802 -1.369 1.00 0.00 O ATOM 0 H GLY A 56 11.108 3.946 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.093 2.251 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.020 3.075 -2.914 1.00 0.00 H new ATOM 867 N LYS A 57 13.321 0.321 -2.872 1.00 0.00 N ATOM 868 CA LYS A 57 13.633 -0.972 -2.288 1.00 0.00 C ATOM 869 C LYS A 57 14.322 -0.764 -0.939 1.00 0.00 C ATOM 870 O LYS A 57 14.820 0.324 -0.653 1.00 0.00 O ATOM 871 CB LYS A 57 14.444 -1.822 -3.268 1.00 0.00 C ATOM 872 CG LYS A 57 14.102 -3.306 -3.121 1.00 0.00 C ATOM 873 CD LYS A 57 15.303 -4.183 -3.482 1.00 0.00 C ATOM 874 CE LYS A 57 15.894 -3.775 -4.833 1.00 0.00 C ATOM 875 NZ LYS A 57 17.221 -4.402 -5.028 1.00 0.00 N ATOM 0 H LYS A 57 13.880 0.566 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 57 12.719 -1.534 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.242 -1.498 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.509 -1.671 -3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.792 -3.512 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.259 -3.554 -3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.065 -4.099 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.997 -5.229 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.222 -4.075 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.987 -2.690 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.608 -4.115 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.865 -4.095 -4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.123 -5.437 -5.001 1.00 0.00 H new ATOM 889 N ASP A 58 14.331 -1.825 -0.145 1.00 0.00 N ATOM 890 CA ASP A 58 14.953 -1.772 1.168 1.00 0.00 C ATOM 891 C ASP A 58 14.192 -0.778 2.047 1.00 0.00 C ATOM 892 O ASP A 58 14.608 -0.490 3.168 1.00 0.00 O ATOM 893 CB ASP A 58 16.406 -1.302 1.071 1.00 0.00 C ATOM 894 CG ASP A 58 17.003 -0.779 2.379 1.00 0.00 C ATOM 895 OD1 ASP A 58 16.994 0.431 2.646 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.503 -1.685 3.150 1.00 0.00 O ATOM 0 H ASP A 58 13.918 -2.726 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 58 14.927 -2.775 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.018 -2.131 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.468 -0.515 0.320 1.00 0.00 H new ATOM 902 N ALA A 59 13.089 -0.282 1.507 1.00 0.00 N ATOM 903 CA ALA A 59 12.266 0.674 2.229 1.00 0.00 C ATOM 904 C ALA A 59 11.066 -0.052 2.839 1.00 0.00 C ATOM 905 O ALA A 59 10.450 -0.897 2.191 1.00 0.00 O ATOM 906 CB ALA A 59 11.846 1.802 1.284 1.00 0.00 C ATOM 0 H ALA A 59 12.745 -0.524 0.578 1.00 0.00 H new ATOM 0 HA ALA A 59 12.829 1.125 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.229 2.519 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.734 2.304 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.276 1.387 0.453 1.00 0.00 H new ATOM 912 N GLU A 60 10.768 0.303 4.081 1.00 0.00 N ATOM 913 CA GLU A 60 9.653 -0.304 4.787 1.00 0.00 C ATOM 914 C GLU A 60 8.415 0.590 4.691 1.00 0.00 C ATOM 915 O GLU A 60 8.427 1.726 5.163 1.00 0.00 O ATOM 916 CB GLU A 60 10.015 -0.585 6.246 1.00 0.00 C ATOM 917 CG GLU A 60 11.148 -1.610 6.343 1.00 0.00 C ATOM 918 CD GLU A 60 11.132 -2.318 7.699 1.00 0.00 C ATOM 919 OE1 GLU A 60 10.511 -1.822 8.651 1.00 0.00 O ATOM 920 OE2 GLU A 60 11.795 -3.423 7.745 1.00 0.00 O ATOM 0 H GLU A 60 11.280 1.004 4.616 1.00 0.00 H new ATOM 0 HA GLU A 60 9.425 -1.259 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.316 0.342 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.138 -0.956 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.048 -2.345 5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.107 -1.112 6.200 1.00 0.00 H new ATOM 928 N ILE A 61 7.376 0.043 4.078 1.00 0.00 N ATOM 929 CA ILE A 61 6.133 0.776 3.914 1.00 0.00 C ATOM 930 C ILE A 61 5.065 0.174 4.830 1.00 0.00 C ATOM 931 O ILE A 61 5.287 -0.869 5.444 1.00 0.00 O ATOM 932 CB ILE A 61 5.725 0.819 2.440 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.788 -0.575 1.814 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.569 1.833 1.666 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.646 -0.781 0.815 1.00 0.00 C ATOM 0 H ILE A 61 7.370 -0.900 3.689 1.00 0.00 H new ATOM 0 HA ILE A 61 6.263 1.816 4.215 1.00 0.00 H new ATOM 0 HB ILE A 61 4.689 1.152 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.745 -0.708 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.732 -1.332 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.258 1.843 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.430 2.825 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.621 1.554 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.715 -1.780 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.690 -0.671 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.719 -0.038 0.021 1.00 0.00 H new ATOM 947 N THR A 62 3.931 0.855 4.892 1.00 0.00 N ATOM 948 CA THR A 62 2.829 0.400 5.723 1.00 0.00 C ATOM 949 C THR A 62 1.492 0.829 5.118 1.00 0.00 C ATOM 950 O THR A 62 1.442 1.750 4.304 1.00 0.00 O ATOM 951 CB THR A 62 3.054 0.933 7.140 1.00 0.00 C ATOM 952 OG1 THR A 62 4.213 0.239 7.592 1.00 0.00 O ATOM 953 CG2 THR A 62 1.956 0.494 8.111 1.00 0.00 C ATOM 0 H THR A 62 3.751 1.719 4.380 1.00 0.00 H new ATOM 0 HA THR A 62 2.793 -0.688 5.771 1.00 0.00 H new ATOM 0 HB THR A 62 3.103 2.022 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.525 0.636 8.432 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.163 0.899 9.102 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.992 0.865 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.929 -0.594 8.162 1.00 0.00 H new ATOM 961 N ILE A 63 0.440 0.141 5.536 1.00 0.00 N ATOM 962 CA ILE A 63 -0.894 0.438 5.046 1.00 0.00 C ATOM 963 C ILE A 63 -1.898 0.300 6.191 1.00 0.00 C ATOM 964 O ILE A 63 -1.853 -0.671 6.945 1.00 0.00 O ATOM 965 CB ILE A 63 -1.224 -0.431 3.830 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.455 -1.886 4.243 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.142 -0.305 2.756 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.858 -2.351 3.848 1.00 0.00 C ATOM 0 H ILE A 63 0.485 -0.623 6.210 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.950 1.469 4.697 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.155 -0.068 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.709 -2.525 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.324 -1.987 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.401 -0.932 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.069 0.734 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.816 -0.626 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.997 -3.388 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.601 -1.725 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.977 -2.271 2.767 1.00 0.00 H new ATOM 980 N TYR A 64 -2.779 1.284 6.286 1.00 0.00 N ATOM 981 CA TYR A 64 -3.793 1.283 7.327 1.00 0.00 C ATOM 982 C TYR A 64 -5.172 0.959 6.750 1.00 0.00 C ATOM 983 O TYR A 64 -5.386 1.067 5.544 1.00 0.00 O ATOM 984 CB TYR A 64 -3.812 2.704 7.896 1.00 0.00 C ATOM 985 CG TYR A 64 -2.542 3.086 8.659 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.325 3.102 8.009 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.613 3.416 9.998 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.130 3.461 8.726 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.418 3.777 10.715 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.235 3.781 10.044 1.00 0.00 C ATOM 991 OH TYR A 64 0.894 4.122 10.722 1.00 0.00 O ATOM 0 H TYR A 64 -2.812 2.088 5.659 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.566 0.532 8.083 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.958 3.410 7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.668 2.806 8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.269 2.845 6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.565 3.403 10.507 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.829 3.476 8.229 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.460 4.039 11.762 1.00 0.00 H new ATOM 0 HH TYR A 64 1.337 4.868 10.266 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.073 0.568 7.639 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.426 0.226 7.233 1.00 0.00 C ATOM 1003 C ALA A 65 -8.371 0.407 8.423 1.00 0.00 C ATOM 1004 O ALA A 65 -8.178 -0.204 9.473 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.449 -1.201 6.683 1.00 0.00 C ATOM 0 H ALA A 65 -5.893 0.480 8.639 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.767 0.888 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.464 -1.457 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.784 -1.270 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.116 -1.894 7.456 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.374 1.249 8.218 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.350 1.519 9.260 1.00 0.00 C ATOM 1013 C ASP A 66 -11.753 1.518 8.651 1.00 0.00 C ATOM 1014 O ASP A 66 -12.232 2.551 8.185 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.111 2.889 9.898 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.663 3.047 11.316 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.949 2.057 12.005 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -10.798 4.267 11.715 1.00 0.00 O ATOM 0 H ASP A 66 -9.531 1.753 7.345 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.252 0.746 10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.038 3.081 9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.560 3.652 9.262 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.373 0.347 8.675 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.712 0.199 8.131 1.00 0.00 C ATOM 1026 C GLY A 67 -14.349 -1.114 8.592 1.00 0.00 C ATOM 1027 O GLY A 67 -14.170 -1.526 9.738 1.00 0.00 O ATOM 0 H GLY A 67 -11.973 -0.507 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.332 1.038 8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.671 0.225 7.042 1.00 0.00 H new ATOM 1031 N SER A 68 -15.079 -1.734 7.676 1.00 0.00 N ATOM 1032 CA SER A 68 -15.743 -2.992 7.975 1.00 0.00 C ATOM 1033 C SER A 68 -14.898 -4.162 7.468 1.00 0.00 C ATOM 1034 O SER A 68 -14.838 -5.212 8.108 1.00 0.00 O ATOM 1035 CB SER A 68 -17.140 -3.037 7.354 1.00 0.00 C ATOM 1036 OG SER A 68 -17.854 -4.213 7.729 1.00 0.00 O ATOM 0 H SER A 68 -15.225 -1.389 6.727 1.00 0.00 H new ATOM 0 HA SER A 68 -15.853 -3.074 9.056 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.703 -2.157 7.664 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.055 -2.995 6.268 1.00 0.00 H new ATOM 0 HG SER A 68 -18.741 -4.203 7.313 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.267 -3.944 6.324 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.429 -4.968 5.724 1.00 0.00 C ATOM 1044 C ASP A 69 -11.959 -4.581 5.894 1.00 0.00 C ATOM 1045 O ASP A 69 -11.075 -5.220 5.325 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.711 -5.103 4.227 1.00 0.00 C ATOM 1047 CG ASP A 69 -15.125 -5.570 3.875 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -15.349 -6.748 3.558 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -16.033 -4.655 3.936 1.00 0.00 O ATOM 0 H ASP A 69 -14.319 -3.073 5.796 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.647 -5.914 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.534 -4.139 3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.996 -5.806 3.800 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.742 -3.537 6.681 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.393 -3.058 6.934 1.00 0.00 C ATOM 1057 C GLU A 70 -9.407 -4.229 6.944 1.00 0.00 C ATOM 1058 O GLU A 70 -8.514 -4.300 6.103 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.327 -2.274 8.245 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.411 -2.741 9.219 1.00 0.00 C ATOM 1061 CD GLU A 70 -11.102 -2.279 10.645 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -11.275 -1.094 10.964 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.670 -3.203 11.436 1.00 0.00 O ATOM 0 H GLU A 70 -12.477 -3.010 7.152 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.112 -2.379 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.345 -2.402 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.449 -1.210 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.379 -2.348 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.485 -3.828 9.193 1.00 0.00 H new ATOM 1071 N SER A 71 -9.604 -5.118 7.908 1.00 0.00 N ATOM 1072 CA SER A 71 -8.743 -6.281 8.040 1.00 0.00 C ATOM 1073 C SER A 71 -8.691 -7.046 6.715 1.00 0.00 C ATOM 1074 O SER A 71 -7.617 -7.448 6.269 1.00 0.00 O ATOM 1075 CB SER A 71 -9.227 -7.199 9.164 1.00 0.00 C ATOM 1076 OG SER A 71 -8.371 -7.147 10.301 1.00 0.00 O ATOM 0 H SER A 71 -10.347 -5.056 8.604 1.00 0.00 H new ATOM 0 HA SER A 71 -7.740 -5.938 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.237 -6.912 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.281 -8.224 8.797 1.00 0.00 H new ATOM 0 HG SER A 71 -8.715 -7.746 10.997 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.863 -7.222 6.123 1.00 0.00 N ATOM 1083 CA ASP A 72 -9.964 -7.931 4.860 1.00 0.00 C ATOM 1084 C ASP A 72 -9.167 -7.177 3.793 1.00 0.00 C ATOM 1085 O ASP A 72 -8.578 -7.792 2.904 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.418 -8.016 4.390 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.910 -9.427 4.062 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -12.386 -9.695 2.949 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -11.788 -10.283 5.019 1.00 0.00 O ATOM 0 H ASP A 72 -10.751 -6.885 6.495 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.573 -8.938 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.059 -7.595 5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.535 -7.392 3.504 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.171 -5.858 3.917 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.455 -5.016 2.974 1.00 0.00 C ATOM 1097 C ALA A 73 -6.949 -5.188 3.184 1.00 0.00 C ATOM 1098 O ALA A 73 -6.177 -5.136 2.229 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.905 -3.563 3.145 1.00 0.00 C ATOM 0 H ALA A 73 -9.659 -5.352 4.656 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.680 -5.310 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.368 -2.930 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.976 -3.489 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.691 -3.233 4.162 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.578 -5.393 4.439 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.180 -5.573 4.786 1.00 0.00 C ATOM 1107 C ILE A 74 -4.709 -6.944 4.294 1.00 0.00 C ATOM 1108 O ILE A 74 -3.560 -7.099 3.882 1.00 0.00 O ATOM 1109 CB ILE A 74 -4.966 -5.352 6.285 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.029 -4.170 6.537 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.470 -6.632 6.962 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.654 -3.172 7.513 1.00 0.00 C ATOM 0 H ILE A 74 -7.222 -5.438 5.228 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.565 -4.825 4.286 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.927 -5.101 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.082 -4.531 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.806 -3.671 5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.326 -6.448 8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.207 -7.424 6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.524 -6.937 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.967 -2.342 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.589 -2.794 7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.853 -3.668 8.463 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.622 -7.903 4.351 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.315 -9.254 3.915 1.00 0.00 C ATOM 1126 C GLN A 75 -5.133 -9.294 2.397 1.00 0.00 C ATOM 1127 O GLN A 75 -4.374 -10.113 1.881 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.402 -10.234 4.363 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.307 -10.509 5.865 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.890 -10.933 6.256 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.099 -9.921 6.602 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.538 -12.101 6.244 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.574 -7.771 4.692 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.379 -9.562 4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.385 -9.826 4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.303 -11.169 3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.589 -9.615 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.014 -11.292 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.197 -12.829 5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.585 -12.349 6.510 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.841 -8.400 1.724 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.767 -8.323 0.275 1.00 0.00 C ATOM 1143 C ALA A 76 -4.483 -7.593 -0.127 1.00 0.00 C ATOM 1144 O ALA A 76 -3.817 -7.984 -1.085 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.022 -7.635 -0.265 1.00 0.00 C ATOM 0 H ALA A 76 -6.469 -7.722 2.155 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.730 -9.321 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.966 -7.577 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.903 -8.208 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.092 -6.629 0.149 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.175 -6.547 0.625 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.984 -5.759 0.358 1.00 0.00 C ATOM 1153 C ILE A 77 -1.760 -6.677 0.354 1.00 0.00 C ATOM 1154 O ILE A 77 -1.175 -6.934 -0.697 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.877 -4.597 1.347 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.501 -3.325 0.769 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.426 -4.378 1.782 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.857 -3.036 1.416 1.00 0.00 C ATOM 0 H ILE A 77 -4.729 -6.227 1.419 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.044 -5.302 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.445 -4.856 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.830 -2.481 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.624 -3.433 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.378 -3.546 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.050 -5.281 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.815 -4.150 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.278 -2.127 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.533 -3.871 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.727 -2.904 2.490 1.00 0.00 H new ATOM 1170 N SER A 78 -1.410 -7.148 1.542 1.00 0.00 N ATOM 1171 CA SER A 78 -0.267 -8.033 1.690 1.00 0.00 C ATOM 1172 C SER A 78 -0.231 -9.037 0.536 1.00 0.00 C ATOM 1173 O SER A 78 0.844 -9.435 0.088 1.00 0.00 O ATOM 1174 CB SER A 78 -0.308 -8.767 3.032 1.00 0.00 C ATOM 1175 OG SER A 78 0.823 -8.459 3.842 1.00 0.00 O ATOM 0 H SER A 78 -1.898 -6.933 2.411 1.00 0.00 H new ATOM 0 HA SER A 78 0.640 -7.428 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.220 -8.498 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.347 -9.842 2.857 1.00 0.00 H new ATOM 0 HG SER A 78 1.032 -7.505 3.763 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.418 -9.420 0.090 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.536 -10.371 -1.002 1.00 0.00 C ATOM 1183 C ASP A 79 -1.076 -9.708 -2.303 1.00 0.00 C ATOM 1184 O ASP A 79 -0.285 -10.281 -3.050 1.00 0.00 O ATOM 1185 CB ASP A 79 -2.987 -10.819 -1.189 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.173 -12.064 -2.060 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.260 -12.891 -2.194 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.329 -12.166 -2.623 1.00 0.00 O ATOM 0 H ASP A 79 -2.307 -9.089 0.465 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.919 -11.237 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.421 -11.012 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.551 -9.997 -1.631 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.590 -8.509 -2.532 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.241 -7.762 -3.729 1.00 0.00 C ATOM 1196 C VAL A 80 0.249 -7.418 -3.693 1.00 0.00 C ATOM 1197 O VAL A 80 0.922 -7.452 -4.723 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.137 -6.528 -3.854 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.723 -5.669 -5.052 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.611 -6.927 -3.949 1.00 0.00 C ATOM 0 H VAL A 80 -2.245 -8.036 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.414 -8.365 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.010 -5.929 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.376 -4.798 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.691 -5.340 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.807 -6.256 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.226 -6.031 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.761 -7.558 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.898 -7.477 -3.053 1.00 0.00 H new ATOM 1210 N LEU A 81 0.721 -7.094 -2.498 1.00 0.00 N ATOM 1211 CA LEU A 81 2.119 -6.744 -2.316 1.00 0.00 C ATOM 1212 C LEU A 81 2.992 -7.955 -2.649 1.00 0.00 C ATOM 1213 O LEU A 81 3.933 -7.851 -3.434 1.00 0.00 O ATOM 1214 CB LEU A 81 2.353 -6.185 -0.910 1.00 0.00 C ATOM 1215 CG LEU A 81 1.766 -4.800 -0.633 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.588 -4.571 0.869 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.615 -3.705 -1.283 1.00 0.00 C ATOM 0 H LEU A 81 0.160 -7.067 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 81 2.404 -5.947 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.935 -6.886 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.427 -6.145 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 81 0.776 -4.751 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.169 -3.579 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.912 -5.324 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.555 -4.646 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.176 -2.730 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.627 -3.742 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.647 -3.862 -2.361 1.00 0.00 H new ATOM 1229 N SER A 82 2.648 -9.079 -2.036 1.00 0.00 N ATOM 1230 CA SER A 82 3.389 -10.309 -2.257 1.00 0.00 C ATOM 1231 C SER A 82 3.054 -10.880 -3.637 1.00 0.00 C ATOM 1232 O SER A 82 3.882 -11.549 -4.253 1.00 0.00 O ATOM 1233 CB SER A 82 3.083 -11.340 -1.168 1.00 0.00 C ATOM 1234 OG SER A 82 4.041 -11.304 -0.114 1.00 0.00 O ATOM 0 H SER A 82 1.866 -9.163 -1.387 1.00 0.00 H new ATOM 0 HA SER A 82 4.454 -10.080 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.089 -11.153 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.065 -12.337 -1.608 1.00 0.00 H new ATOM 0 HG SER A 82 3.810 -11.975 0.561 1.00 0.00 H new ATOM 1240 N LYS A 83 1.839 -10.594 -4.081 1.00 0.00 N ATOM 1241 CA LYS A 83 1.385 -11.070 -5.376 1.00 0.00 C ATOM 1242 C LYS A 83 2.338 -10.569 -6.463 1.00 0.00 C ATOM 1243 O LYS A 83 2.686 -11.310 -7.380 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.074 -10.677 -5.611 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.026 -11.710 -4.999 1.00 0.00 C ATOM 1246 CD LYS A 83 -1.905 -12.349 -6.075 1.00 0.00 C ATOM 1247 CE LYS A 83 -2.960 -13.263 -5.449 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.602 -14.102 -6.486 1.00 0.00 N ATOM 0 H LYS A 83 1.155 -10.039 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 83 1.407 -12.159 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.265 -9.697 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.264 -10.591 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.451 -12.482 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.654 -11.231 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.394 -11.570 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.284 -12.922 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.497 -13.899 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.714 -12.662 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.315 -14.716 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.061 -13.491 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.881 -14.689 -6.953 1.00 0.00 H new ATOM 1262 N GLU A 84 2.735 -9.313 -6.323 1.00 0.00 N ATOM 1263 CA GLU A 84 3.642 -8.702 -7.280 1.00 0.00 C ATOM 1264 C GLU A 84 5.088 -9.086 -6.960 1.00 0.00 C ATOM 1265 O GLU A 84 5.847 -9.457 -7.854 1.00 0.00 O ATOM 1266 CB GLU A 84 3.471 -7.182 -7.306 1.00 0.00 C ATOM 1267 CG GLU A 84 2.005 -6.792 -7.104 1.00 0.00 C ATOM 1268 CD GLU A 84 1.504 -5.925 -8.261 1.00 0.00 C ATOM 1269 OE1 GLU A 84 0.609 -5.090 -8.067 1.00 0.00 O ATOM 1270 OE2 GLU A 84 2.079 -6.144 -9.395 1.00 0.00 O ATOM 0 H GLU A 84 2.445 -8.701 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 84 3.398 -9.078 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.082 -6.730 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.828 -6.788 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.393 -7.691 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.895 -6.250 -6.165 1.00 0.00 H new ATOM 1278 N GLY A 85 5.425 -8.983 -5.684 1.00 0.00 N ATOM 1279 CA GLY A 85 6.767 -9.314 -5.235 1.00 0.00 C ATOM 1280 C GLY A 85 7.536 -8.055 -4.829 1.00 0.00 C ATOM 1281 O GLY A 85 8.766 -8.038 -4.859 1.00 0.00 O ATOM 0 H GLY A 85 4.792 -8.675 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.713 -10.000 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.303 -9.831 -6.031 1.00 0.00 H new ATOM 1285 N LEU A 86 6.780 -7.033 -4.456 1.00 0.00 N ATOM 1286 CA LEU A 86 7.375 -5.773 -4.044 1.00 0.00 C ATOM 1287 C LEU A 86 7.902 -5.907 -2.614 1.00 0.00 C ATOM 1288 O LEU A 86 8.710 -5.094 -2.168 1.00 0.00 O ATOM 1289 CB LEU A 86 6.380 -4.625 -4.227 1.00 0.00 C ATOM 1290 CG LEU A 86 5.829 -4.435 -5.642 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.379 -3.948 -5.606 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.727 -3.503 -6.459 1.00 0.00 C ATOM 0 H LEU A 86 5.760 -7.052 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 86 8.228 -5.529 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.541 -4.786 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.864 -3.698 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 86 5.830 -5.404 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.012 -3.821 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.762 -4.681 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.328 -2.994 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.313 -3.385 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.781 -2.530 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.728 -3.930 -6.528 1.00 0.00 H new ATOM 1304 N THR A 87 7.425 -6.940 -1.935 1.00 0.00 N ATOM 1305 CA THR A 87 7.839 -7.191 -0.565 1.00 0.00 C ATOM 1306 C THR A 87 8.165 -8.673 -0.369 1.00 0.00 C ATOM 1307 O THR A 87 7.819 -9.504 -1.208 1.00 0.00 O ATOM 1308 CB THR A 87 6.732 -6.685 0.362 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.779 -7.744 0.377 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.965 -5.502 -0.231 1.00 0.00 C ATOM 0 H THR A 87 6.756 -7.613 -2.308 1.00 0.00 H new ATOM 0 HA THR A 87 8.757 -6.654 -0.324 1.00 0.00 H new ATOM 0 HB THR A 87 7.166 -6.393 1.318 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.027 -7.500 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.192 -5.183 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.653 -4.676 -0.413 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.503 -5.803 -1.171 1.00 0.00 H new ATOM 1318 N LYS A 88 8.827 -8.958 0.743 1.00 0.00 N ATOM 1319 CA LYS A 88 9.204 -10.325 1.059 1.00 0.00 C ATOM 1320 C LYS A 88 9.633 -11.041 -0.224 1.00 0.00 C ATOM 1321 O LYS A 88 9.772 -12.263 -0.240 1.00 0.00 O ATOM 1322 CB LYS A 88 8.074 -11.033 1.809 1.00 0.00 C ATOM 1323 CG LYS A 88 8.180 -10.789 3.317 1.00 0.00 C ATOM 1324 CD LYS A 88 8.760 -12.012 4.030 1.00 0.00 C ATOM 1325 CE LYS A 88 7.724 -12.648 4.958 1.00 0.00 C ATOM 1326 NZ LYS A 88 6.967 -13.701 4.244 1.00 0.00 N ATOM 0 H LYS A 88 9.112 -8.266 1.436 1.00 0.00 H new ATOM 0 HA LYS A 88 10.060 -10.337 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.111 -10.674 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.113 -12.103 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.811 -9.920 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.194 -10.561 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.091 -12.744 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.638 -11.719 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.221 -13.076 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.038 -11.884 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.268 -14.123 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.478 -13.283 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.623 -14.438 3.915 1.00 0.00 H new