USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 725 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 10 ASN : amide:sc= -5.3! C(o=-6.9!,f=-14!) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.0325 USER MOD Set 1.3: A 78 MET CE :methyl -129:sc= -1.68 (180deg=-2.23) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 171:sc= -1.79! (180deg=-1.95!) USER MOD Set 2.2: A 84 LYS NZ :NH3+ -132:sc= -0.0306 (180deg=-0.0134) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -36:sc= -2.31! USER MOD Single : A 8 THR OG1 : rot -136:sc= 1.42 USER MOD Single : A 13 SER OG : rot 180:sc= -0.472 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.132 USER MOD Single : A 31 ASN : amide:sc= -0.0943 K(o=-0.094,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.11) USER MOD Single : A 35 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.13) USER MOD Single : A 41 SER OG : rot -61:sc= 1.04 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 41:sc= -1.96! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.883 4.517 13.439 1.00 0.00 N ATOM 21 CA LYS A 2 -12.945 5.377 12.227 1.00 0.00 C ATOM 22 C LYS A 2 -12.707 4.505 10.997 1.00 0.00 C ATOM 23 O LYS A 2 -11.985 3.531 11.058 1.00 0.00 O ATOM 24 CB LYS A 2 -11.823 6.401 12.401 1.00 0.00 C ATOM 25 CG LYS A 2 -12.011 7.144 13.725 1.00 0.00 C ATOM 26 CD LYS A 2 -11.032 8.318 13.798 1.00 0.00 C ATOM 27 CE LYS A 2 -9.594 7.795 13.738 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.752 8.933 14.203 1.00 0.00 N ATOM 0 HA LYS A 2 -13.907 5.873 12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.855 5.901 12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.829 7.108 11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.036 7.506 13.808 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.844 6.465 14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.213 9.007 12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.188 8.877 14.721 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.465 6.921 14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.326 7.493 12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.751 8.652 14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.891 9.748 13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.026 9.194 15.172 1.00 0.00 H new ATOM 42 N GLU A 3 -13.311 4.822 9.887 1.00 0.00 N ATOM 43 CA GLU A 3 -13.099 3.977 8.681 1.00 0.00 C ATOM 44 C GLU A 3 -12.834 4.834 7.441 1.00 0.00 C ATOM 45 O GLU A 3 -13.500 5.816 7.188 1.00 0.00 O ATOM 46 CB GLU A 3 -14.396 3.184 8.530 1.00 0.00 C ATOM 47 CG GLU A 3 -14.595 2.310 9.771 1.00 0.00 C ATOM 48 CD GLU A 3 -15.860 1.461 9.612 1.00 0.00 C ATOM 49 OE1 GLU A 3 -16.623 1.731 8.699 1.00 0.00 O ATOM 50 OE2 GLU A 3 -16.044 0.556 10.409 1.00 0.00 O ATOM 0 H GLU A 3 -13.935 5.619 9.763 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.229 3.329 8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.240 3.863 8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.355 2.563 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.729 1.664 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.676 2.937 10.659 1.00 0.00 H new ATOM 57 N SER A 4 -11.876 4.443 6.652 1.00 0.00 N ATOM 58 CA SER A 4 -11.566 5.199 5.407 1.00 0.00 C ATOM 59 C SER A 4 -11.222 4.211 4.297 1.00 0.00 C ATOM 60 O SER A 4 -10.555 3.222 4.531 1.00 0.00 O ATOM 61 CB SER A 4 -10.351 6.061 5.749 1.00 0.00 C ATOM 62 OG SER A 4 -9.158 5.313 5.536 1.00 0.00 O ATOM 0 H SER A 4 -11.289 3.625 6.816 1.00 0.00 H new ATOM 0 HA SER A 4 -12.403 5.808 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.344 6.959 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.406 6.389 6.787 1.00 0.00 H new ATOM 0 HG SER A 4 -9.311 4.377 5.782 1.00 0.00 H new ATOM 68 N VAL A 5 -11.686 4.438 3.101 1.00 0.00 N ATOM 69 CA VAL A 5 -11.390 3.466 2.016 1.00 0.00 C ATOM 70 C VAL A 5 -10.078 3.816 1.318 1.00 0.00 C ATOM 71 O VAL A 5 -9.800 4.955 0.999 1.00 0.00 O ATOM 72 CB VAL A 5 -12.564 3.577 1.045 1.00 0.00 C ATOM 73 CG1 VAL A 5 -12.370 2.582 -0.101 1.00 0.00 C ATOM 74 CG2 VAL A 5 -13.867 3.255 1.782 1.00 0.00 C ATOM 0 H VAL A 5 -12.250 5.244 2.831 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.275 2.453 2.401 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.612 4.590 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.207 2.659 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.441 2.807 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.324 1.570 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.705 3.334 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.819 2.241 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.005 3.960 2.602 1.00 0.00 H new ATOM 84 N VAL A 6 -9.281 2.817 1.081 1.00 0.00 N ATOM 85 CA VAL A 6 -7.980 3.014 0.403 1.00 0.00 C ATOM 86 C VAL A 6 -7.865 2.006 -0.737 1.00 0.00 C ATOM 87 O VAL A 6 -8.403 0.919 -0.671 1.00 0.00 O ATOM 88 CB VAL A 6 -6.931 2.755 1.482 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.534 2.968 0.897 1.00 0.00 C ATOM 90 CG2 VAL A 6 -7.149 3.730 2.641 1.00 0.00 C ATOM 0 H VAL A 6 -9.484 1.850 1.336 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.860 4.008 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.022 1.730 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.785 2.783 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.378 2.279 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.442 3.994 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.402 3.549 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.055 4.753 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.145 3.583 3.058 1.00 0.00 H new ATOM 100 N TRP A 7 -7.199 2.351 -1.789 1.00 0.00 N ATOM 101 CA TRP A 7 -7.091 1.393 -2.922 1.00 0.00 C ATOM 102 C TRP A 7 -5.640 0.990 -3.202 1.00 0.00 C ATOM 103 O TRP A 7 -4.694 1.646 -2.813 1.00 0.00 O ATOM 104 CB TRP A 7 -7.698 2.118 -4.122 1.00 0.00 C ATOM 105 CG TRP A 7 -9.132 1.723 -4.270 1.00 0.00 C ATOM 106 CD1 TRP A 7 -10.155 2.229 -3.543 1.00 0.00 C ATOM 107 CD2 TRP A 7 -9.720 0.752 -5.185 1.00 0.00 C ATOM 108 NE1 TRP A 7 -11.332 1.631 -3.953 1.00 0.00 N ATOM 109 CE2 TRP A 7 -11.117 0.714 -4.962 1.00 0.00 C ATOM 110 CE3 TRP A 7 -9.184 -0.089 -6.176 1.00 0.00 C ATOM 111 CZ2 TRP A 7 -11.952 -0.130 -5.696 1.00 0.00 C ATOM 112 CZ3 TRP A 7 -10.021 -0.941 -6.916 1.00 0.00 C ATOM 113 CH2 TRP A 7 -11.402 -0.960 -6.677 1.00 0.00 C ATOM 0 H TRP A 7 -6.726 3.245 -1.920 1.00 0.00 H new ATOM 0 HA TRP A 7 -7.611 0.462 -2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.619 3.197 -3.987 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.146 1.869 -5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.066 2.977 -2.769 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -12.248 1.842 -3.558 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.122 -0.080 -6.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -13.015 -0.142 -5.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.598 -1.585 -7.673 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -12.041 -1.615 -7.250 1.00 0.00 H new ATOM 124 N THR A 8 -5.499 -0.064 -3.946 1.00 0.00 N ATOM 125 CA THR A 8 -4.133 -0.510 -4.353 1.00 0.00 C ATOM 126 C THR A 8 -3.579 0.466 -5.396 1.00 0.00 C ATOM 127 O THR A 8 -2.434 0.859 -5.354 1.00 0.00 O ATOM 128 CB THR A 8 -4.270 -1.907 -4.950 1.00 0.00 C ATOM 129 OG1 THR A 8 -5.443 -1.973 -5.750 1.00 0.00 O ATOM 130 CG2 THR A 8 -4.341 -2.943 -3.825 1.00 0.00 C ATOM 0 H THR A 8 -6.266 -0.640 -4.293 1.00 0.00 H new ATOM 0 HA THR A 8 -3.450 -0.531 -3.504 1.00 0.00 H new ATOM 0 HB THR A 8 -3.403 -2.121 -5.575 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.923 -2.806 -5.559 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.439 -3.940 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.431 -2.893 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.203 -2.734 -3.192 1.00 0.00 H new ATOM 138 N VAL A 9 -4.403 0.862 -6.330 1.00 0.00 N ATOM 139 CA VAL A 9 -3.955 1.818 -7.387 1.00 0.00 C ATOM 140 C VAL A 9 -3.932 3.245 -6.833 1.00 0.00 C ATOM 141 O VAL A 9 -3.161 4.080 -7.260 1.00 0.00 O ATOM 142 CB VAL A 9 -4.999 1.690 -8.497 1.00 0.00 C ATOM 143 CG1 VAL A 9 -4.617 2.593 -9.670 1.00 0.00 C ATOM 144 CG2 VAL A 9 -5.064 0.237 -8.972 1.00 0.00 C ATOM 0 H VAL A 9 -5.375 0.562 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.948 1.601 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.973 1.991 -8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.363 2.499 -10.459 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.573 3.629 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.642 2.296 -10.055 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.808 0.146 -9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.089 -0.065 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.341 -0.407 -8.137 1.00 0.00 H new ATOM 154 N ASN A 10 -4.781 3.523 -5.882 1.00 0.00 N ATOM 155 CA ASN A 10 -4.832 4.885 -5.284 1.00 0.00 C ATOM 156 C ASN A 10 -3.433 5.310 -4.835 1.00 0.00 C ATOM 157 O ASN A 10 -2.994 6.409 -5.109 1.00 0.00 O ATOM 158 CB ASN A 10 -5.797 4.731 -4.096 1.00 0.00 C ATOM 159 CG ASN A 10 -5.561 5.812 -3.036 1.00 0.00 C ATOM 160 OD1 ASN A 10 -5.850 6.972 -3.252 1.00 0.00 O ATOM 161 ND2 ASN A 10 -5.044 5.467 -1.888 1.00 0.00 N ATOM 0 H ASN A 10 -5.448 2.857 -5.491 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.168 5.655 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.826 4.788 -4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.669 3.746 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.882 6.172 -1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.802 4.492 -1.710 1.00 0.00 H new ATOM 168 N LEU A 11 -2.721 4.453 -4.159 1.00 0.00 N ATOM 169 CA LEU A 11 -1.353 4.821 -3.715 1.00 0.00 C ATOM 170 C LEU A 11 -0.340 4.284 -4.724 1.00 0.00 C ATOM 171 O LEU A 11 0.750 3.877 -4.374 1.00 0.00 O ATOM 172 CB LEU A 11 -1.178 4.141 -2.356 1.00 0.00 C ATOM 173 CG LEU A 11 0.087 4.667 -1.676 1.00 0.00 C ATOM 174 CD1 LEU A 11 -0.210 6.011 -1.011 1.00 0.00 C ATOM 175 CD2 LEU A 11 0.547 3.664 -0.616 1.00 0.00 C ATOM 0 H LEU A 11 -3.028 3.516 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.205 5.898 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.047 4.334 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.111 3.061 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 11 0.872 4.798 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.692 6.385 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.539 6.725 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.995 5.883 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.449 4.036 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.239 3.534 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.760 2.706 -1.090 1.00 0.00 H new ATOM 187 N ASP A 12 -0.690 4.290 -5.980 1.00 0.00 N ATOM 188 CA ASP A 12 0.259 3.790 -7.012 1.00 0.00 C ATOM 189 C ASP A 12 0.490 4.865 -8.077 1.00 0.00 C ATOM 190 O ASP A 12 -0.436 5.358 -8.690 1.00 0.00 O ATOM 191 CB ASP A 12 -0.430 2.566 -7.620 1.00 0.00 C ATOM 192 CG ASP A 12 0.520 1.867 -8.598 1.00 0.00 C ATOM 193 OD1 ASP A 12 1.620 2.362 -8.787 1.00 0.00 O ATOM 194 OD2 ASP A 12 0.131 0.847 -9.142 1.00 0.00 O ATOM 0 H ASP A 12 -1.588 4.618 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 12 1.235 3.542 -6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.727 1.875 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.340 2.869 -8.137 1.00 0.00 H new ATOM 199 N SER A 13 1.722 5.226 -8.306 1.00 0.00 N ATOM 200 CA SER A 13 2.020 6.262 -9.334 1.00 0.00 C ATOM 201 C SER A 13 2.017 5.627 -10.730 1.00 0.00 C ATOM 202 O SER A 13 1.782 6.283 -11.726 1.00 0.00 O ATOM 203 CB SER A 13 3.414 6.779 -8.977 1.00 0.00 C ATOM 204 OG SER A 13 3.401 7.282 -7.647 1.00 0.00 O ATOM 0 H SER A 13 2.537 4.847 -7.824 1.00 0.00 H new ATOM 0 HA SER A 13 1.282 7.064 -9.348 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.146 5.977 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.713 7.564 -9.672 1.00 0.00 H new ATOM 0 HG SER A 13 4.293 7.613 -7.414 1.00 0.00 H new ATOM 210 N LYS A 14 2.278 4.349 -10.801 1.00 0.00 N ATOM 211 CA LYS A 14 2.297 3.646 -12.119 1.00 0.00 C ATOM 212 C LYS A 14 0.928 3.728 -12.802 1.00 0.00 C ATOM 213 O LYS A 14 0.826 3.734 -14.013 1.00 0.00 O ATOM 214 CB LYS A 14 2.633 2.193 -11.783 1.00 0.00 C ATOM 215 CG LYS A 14 2.769 1.387 -13.076 1.00 0.00 C ATOM 216 CD LYS A 14 3.004 -0.086 -12.736 1.00 0.00 C ATOM 217 CE LYS A 14 3.238 -0.876 -14.025 1.00 0.00 C ATOM 218 NZ LYS A 14 4.485 -1.655 -13.779 1.00 0.00 N ATOM 0 H LYS A 14 2.481 3.756 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 14 3.016 4.092 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.561 2.146 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.852 1.764 -11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.868 1.493 -13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.598 1.771 -13.671 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.865 -0.185 -12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.144 -0.489 -12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.397 -1.535 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.351 -0.210 -14.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.711 -2.223 -14.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.269 -1.001 -13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.346 -2.285 -12.963 1.00 0.00 H new ATOM 232 N LYS A 15 -0.123 3.772 -12.034 1.00 0.00 N ATOM 233 CA LYS A 15 -1.485 3.831 -12.634 1.00 0.00 C ATOM 234 C LYS A 15 -1.873 5.288 -12.899 1.00 0.00 C ATOM 235 O LYS A 15 -1.456 6.189 -12.201 1.00 0.00 O ATOM 236 CB LYS A 15 -2.408 3.204 -11.582 1.00 0.00 C ATOM 237 CG LYS A 15 -1.866 1.829 -11.166 1.00 0.00 C ATOM 238 CD LYS A 15 -1.859 0.885 -12.371 1.00 0.00 C ATOM 239 CE LYS A 15 -1.297 -0.476 -11.949 1.00 0.00 C ATOM 240 NZ LYS A 15 -0.912 -1.143 -13.224 1.00 0.00 N ATOM 0 H LYS A 15 -0.098 3.770 -11.014 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.547 3.307 -13.588 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.478 3.856 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.416 3.101 -11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.857 1.932 -10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.482 1.411 -10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.870 0.768 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.255 1.307 -13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.438 -0.361 -11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.041 -1.060 -11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.517 -2.083 -13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.751 -1.245 -13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.198 -0.568 -13.715 1.00 0.00 H new ATOM 254 N SER A 16 -2.666 5.524 -13.905 1.00 0.00 N ATOM 255 CA SER A 16 -3.084 6.922 -14.223 1.00 0.00 C ATOM 256 C SER A 16 -4.292 7.317 -13.369 1.00 0.00 C ATOM 257 O SER A 16 -4.881 6.494 -12.698 1.00 0.00 O ATOM 258 CB SER A 16 -3.454 6.902 -15.706 1.00 0.00 C ATOM 259 OG SER A 16 -4.677 6.198 -15.876 1.00 0.00 O ATOM 0 H SER A 16 -3.046 4.808 -14.525 1.00 0.00 H new ATOM 0 HA SER A 16 -2.297 7.646 -14.014 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.552 7.920 -16.082 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.663 6.424 -16.284 1.00 0.00 H new ATOM 0 HG SER A 16 -4.918 6.185 -16.826 1.00 0.00 H new ATOM 265 N ARG A 17 -4.672 8.568 -13.389 1.00 0.00 N ATOM 266 CA ARG A 17 -5.847 8.995 -12.576 1.00 0.00 C ATOM 267 C ARG A 17 -7.075 8.160 -12.949 1.00 0.00 C ATOM 268 O ARG A 17 -7.807 7.700 -12.096 1.00 0.00 O ATOM 269 CB ARG A 17 -6.070 10.464 -12.937 1.00 0.00 C ATOM 270 CG ARG A 17 -7.197 11.032 -12.072 1.00 0.00 C ATOM 271 CD ARG A 17 -7.483 12.476 -12.486 1.00 0.00 C ATOM 272 NE ARG A 17 -8.508 12.955 -11.519 1.00 0.00 N ATOM 273 CZ ARG A 17 -9.730 13.174 -11.922 1.00 0.00 C ATOM 274 NH1 ARG A 17 -10.554 12.175 -12.080 1.00 0.00 N ATOM 275 NH2 ARG A 17 -10.126 14.393 -12.168 1.00 0.00 N ATOM 0 H ARG A 17 -4.223 9.307 -13.929 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.680 8.860 -11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.153 11.032 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.325 10.556 -13.993 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.096 10.426 -12.184 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.916 10.994 -11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.581 13.086 -12.440 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.851 12.528 -13.511 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.256 13.112 -10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.243 11.223 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.509 12.346 -12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.481 15.173 -12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.081 14.565 -12.483 1.00 0.00 H new ATOM 289 N ALA A 18 -7.299 7.947 -14.218 1.00 0.00 N ATOM 290 CA ALA A 18 -8.470 7.125 -14.638 1.00 0.00 C ATOM 291 C ALA A 18 -8.255 5.678 -14.194 1.00 0.00 C ATOM 292 O ALA A 18 -9.171 4.992 -13.788 1.00 0.00 O ATOM 293 CB ALA A 18 -8.499 7.224 -16.163 1.00 0.00 C ATOM 0 H ALA A 18 -6.723 8.306 -14.980 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.407 7.466 -14.198 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.336 6.643 -16.549 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.614 8.267 -16.458 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.567 6.833 -16.571 1.00 0.00 H new ATOM 299 N GLU A 19 -7.038 5.219 -14.271 1.00 0.00 N ATOM 300 CA GLU A 19 -6.732 3.821 -13.859 1.00 0.00 C ATOM 301 C GLU A 19 -7.192 3.593 -12.418 1.00 0.00 C ATOM 302 O GLU A 19 -7.488 2.486 -12.016 1.00 0.00 O ATOM 303 CB GLU A 19 -5.211 3.698 -13.966 1.00 0.00 C ATOM 304 CG GLU A 19 -4.808 2.234 -13.795 1.00 0.00 C ATOM 305 CD GLU A 19 -5.314 1.425 -14.991 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.507 2.015 -16.042 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.503 0.230 -14.835 1.00 0.00 O ATOM 0 H GLU A 19 -6.237 5.755 -14.604 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.240 3.082 -14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.872 4.070 -14.933 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.731 4.311 -13.203 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.724 2.150 -13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.225 1.836 -12.870 1.00 0.00 H new ATOM 314 N GLY A 20 -7.259 4.638 -11.641 1.00 0.00 N ATOM 315 CA GLY A 20 -7.705 4.487 -10.225 1.00 0.00 C ATOM 316 C GLY A 20 -6.712 5.172 -9.278 1.00 0.00 C ATOM 317 O GLY A 20 -6.593 4.802 -8.127 1.00 0.00 O ATOM 0 H GLY A 20 -7.025 5.590 -11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.696 4.923 -10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.788 3.430 -9.973 1.00 0.00 H new ATOM 321 N ARG A 21 -6.002 6.168 -9.741 1.00 0.00 N ATOM 322 CA ARG A 21 -5.030 6.864 -8.851 1.00 0.00 C ATOM 323 C ARG A 21 -5.570 8.242 -8.467 1.00 0.00 C ATOM 324 O ARG A 21 -6.217 8.907 -9.252 1.00 0.00 O ATOM 325 CB ARG A 21 -3.750 7.009 -9.674 1.00 0.00 C ATOM 326 CG ARG A 21 -2.644 7.582 -8.786 1.00 0.00 C ATOM 327 CD ARG A 21 -1.373 7.786 -9.611 1.00 0.00 C ATOM 328 NE ARG A 21 -1.693 8.905 -10.539 1.00 0.00 N ATOM 329 CZ ARG A 21 -1.605 10.141 -10.127 1.00 0.00 C ATOM 330 NH1 ARG A 21 -0.434 10.684 -9.938 1.00 0.00 N ATOM 331 NH2 ARG A 21 -2.688 10.834 -9.905 1.00 0.00 N ATOM 0 H ARG A 21 -6.054 6.528 -10.694 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.855 6.312 -7.928 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.448 6.040 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.924 7.665 -10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.965 8.530 -8.355 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.445 6.905 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.524 8.032 -8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.109 6.882 -10.159 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.981 8.706 -11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.413 10.143 -10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.365 11.649 -9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.604 10.410 -10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.619 11.799 -9.583 1.00 0.00 H new ATOM 345 N ARG A 22 -5.317 8.669 -7.265 1.00 0.00 N ATOM 346 CA ARG A 22 -5.817 9.994 -6.823 1.00 0.00 C ATOM 347 C ARG A 22 -4.929 10.517 -5.700 1.00 0.00 C ATOM 348 O ARG A 22 -5.369 11.246 -4.833 1.00 0.00 O ATOM 349 CB ARG A 22 -7.230 9.712 -6.314 1.00 0.00 C ATOM 350 CG ARG A 22 -7.160 8.690 -5.177 1.00 0.00 C ATOM 351 CD ARG A 22 -8.321 7.700 -5.304 1.00 0.00 C ATOM 352 NE ARG A 22 -8.866 7.563 -3.924 1.00 0.00 N ATOM 353 CZ ARG A 22 -10.124 7.260 -3.750 1.00 0.00 C ATOM 354 NH1 ARG A 22 -11.054 8.012 -4.273 1.00 0.00 N ATOM 355 NH2 ARG A 22 -10.453 6.209 -3.050 1.00 0.00 N ATOM 0 H ARG A 22 -4.782 8.153 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.812 10.745 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.694 10.634 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.852 9.331 -7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.209 8.158 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.206 9.199 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.081 8.069 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.980 6.740 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.258 7.706 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.798 8.836 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.037 7.776 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.727 5.623 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.436 5.974 -2.915 1.00 0.00 H new ATOM 369 N ILE A 23 -3.680 10.137 -5.699 1.00 0.00 N ATOM 370 CA ILE A 23 -2.757 10.592 -4.627 1.00 0.00 C ATOM 371 C ILE A 23 -1.613 11.411 -5.244 1.00 0.00 C ATOM 372 O ILE A 23 -1.204 11.157 -6.359 1.00 0.00 O ATOM 373 CB ILE A 23 -2.255 9.269 -4.017 1.00 0.00 C ATOM 374 CG1 ILE A 23 -3.277 8.793 -2.984 1.00 0.00 C ATOM 375 CG2 ILE A 23 -0.878 9.437 -3.351 1.00 0.00 C ATOM 376 CD1 ILE A 23 -2.813 7.476 -2.349 1.00 0.00 C ATOM 0 H ILE A 23 -3.259 9.527 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.218 11.240 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.144 8.534 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.406 9.552 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.248 8.654 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.557 8.483 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.153 9.769 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.947 10.178 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.549 7.147 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.708 6.716 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.852 7.628 -1.857 1.00 0.00 H new ATOM 388 N PRO A 24 -1.121 12.362 -4.490 1.00 0.00 N ATOM 389 CA PRO A 24 -0.001 13.208 -4.971 1.00 0.00 C ATOM 390 C PRO A 24 1.256 12.362 -5.189 1.00 0.00 C ATOM 391 O PRO A 24 1.699 11.639 -4.319 1.00 0.00 O ATOM 392 CB PRO A 24 0.196 14.218 -3.841 1.00 0.00 C ATOM 393 CG PRO A 24 -0.364 13.535 -2.641 1.00 0.00 C ATOM 394 CD PRO A 24 -1.541 12.746 -3.137 1.00 0.00 C ATOM 0 HA PRO A 24 -0.204 13.688 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.249 14.463 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.325 15.153 -4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.378 12.884 -2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.668 14.259 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.738 11.876 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.453 13.343 -3.150 1.00 0.00 H new ATOM 402 N ARG A 25 1.819 12.453 -6.356 1.00 0.00 N ATOM 403 CA ARG A 25 3.042 11.667 -6.687 1.00 0.00 C ATOM 404 C ARG A 25 4.160 11.922 -5.672 1.00 0.00 C ATOM 405 O ARG A 25 5.025 11.093 -5.470 1.00 0.00 O ATOM 406 CB ARG A 25 3.448 12.175 -8.063 1.00 0.00 C ATOM 407 CG ARG A 25 4.683 11.413 -8.548 1.00 0.00 C ATOM 408 CD ARG A 25 5.123 11.964 -9.906 1.00 0.00 C ATOM 409 NE ARG A 25 6.275 11.109 -10.309 1.00 0.00 N ATOM 410 CZ ARG A 25 6.084 10.074 -11.080 1.00 0.00 C ATOM 411 NH1 ARG A 25 5.429 10.208 -12.201 1.00 0.00 N ATOM 412 NH2 ARG A 25 6.550 8.905 -10.732 1.00 0.00 N ATOM 0 H ARG A 25 1.480 13.049 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 25 2.857 10.593 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.627 12.043 -8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.661 13.243 -8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.492 11.512 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.458 10.350 -8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.315 11.909 -10.636 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.415 13.012 -9.832 1.00 0.00 H new ATOM 0 HE ARG A 25 7.215 11.333 -9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.067 11.122 -12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.279 9.399 -12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.064 8.801 -9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.400 8.096 -11.335 1.00 0.00 H new ATOM 426 N ARG A 26 4.163 13.066 -5.051 1.00 0.00 N ATOM 427 CA ARG A 26 5.243 13.378 -4.072 1.00 0.00 C ATOM 428 C ARG A 26 5.293 12.312 -2.975 1.00 0.00 C ATOM 429 O ARG A 26 6.349 11.976 -2.476 1.00 0.00 O ATOM 430 CB ARG A 26 4.859 14.736 -3.486 1.00 0.00 C ATOM 431 CG ARG A 26 4.900 15.794 -4.591 1.00 0.00 C ATOM 432 CD ARG A 26 4.562 17.164 -4.001 1.00 0.00 C ATOM 433 NE ARG A 26 5.736 17.520 -3.159 1.00 0.00 N ATOM 434 CZ ARG A 26 6.009 18.774 -2.917 1.00 0.00 C ATOM 435 NH1 ARG A 26 6.349 19.568 -3.896 1.00 0.00 N ATOM 436 NH2 ARG A 26 5.939 19.232 -1.696 1.00 0.00 N ATOM 0 H ARG A 26 3.466 13.800 -5.177 1.00 0.00 H new ATOM 0 HA ARG A 26 6.229 13.396 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.861 14.688 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.545 15.006 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.889 15.818 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.190 15.540 -5.378 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.400 17.903 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.648 17.124 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 26 6.327 16.785 -2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.401 19.209 -4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.562 20.547 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.671 18.611 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.152 20.211 -1.506 1.00 0.00 H new ATOM 450 N PHE A 27 4.170 11.763 -2.604 1.00 0.00 N ATOM 451 CA PHE A 27 4.171 10.706 -1.552 1.00 0.00 C ATOM 452 C PHE A 27 3.454 9.455 -2.067 1.00 0.00 C ATOM 453 O PHE A 27 2.773 8.775 -1.330 1.00 0.00 O ATOM 454 CB PHE A 27 3.414 11.310 -0.367 1.00 0.00 C ATOM 455 CG PHE A 27 4.367 12.108 0.490 1.00 0.00 C ATOM 456 CD1 PHE A 27 5.219 11.449 1.385 1.00 0.00 C ATOM 457 CD2 PHE A 27 4.400 13.504 0.393 1.00 0.00 C ATOM 458 CE1 PHE A 27 6.103 12.184 2.183 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.285 14.240 1.191 1.00 0.00 C ATOM 460 CZ PHE A 27 6.136 13.581 2.086 1.00 0.00 C ATOM 0 H PHE A 27 3.253 11.999 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 27 5.181 10.406 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.608 11.951 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.953 10.519 0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.194 10.372 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.743 14.013 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.759 11.675 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.311 15.317 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.818 14.149 2.701 1.00 0.00 H new ATOM 470 N ALA A 28 3.596 9.146 -3.328 1.00 0.00 N ATOM 471 CA ALA A 28 2.910 7.933 -3.871 1.00 0.00 C ATOM 472 C ALA A 28 3.923 6.821 -4.177 1.00 0.00 C ATOM 473 O ALA A 28 4.973 7.062 -4.737 1.00 0.00 O ATOM 474 CB ALA A 28 2.237 8.405 -5.161 1.00 0.00 C ATOM 0 H ALA A 28 4.151 9.674 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 28 2.198 7.518 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.710 7.570 -5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.527 9.200 -4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.994 8.782 -5.849 1.00 0.00 H new ATOM 480 N VAL A 29 3.609 5.602 -3.818 1.00 0.00 N ATOM 481 CA VAL A 29 4.548 4.470 -4.092 1.00 0.00 C ATOM 482 C VAL A 29 4.076 3.686 -5.329 1.00 0.00 C ATOM 483 O VAL A 29 2.981 3.160 -5.342 1.00 0.00 O ATOM 484 CB VAL A 29 4.502 3.590 -2.832 1.00 0.00 C ATOM 485 CG1 VAL A 29 3.135 2.907 -2.698 1.00 0.00 C ATOM 486 CG2 VAL A 29 5.592 2.519 -2.923 1.00 0.00 C ATOM 0 H VAL A 29 2.743 5.341 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 29 5.562 4.812 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 29 4.667 4.221 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.123 2.289 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.355 3.665 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.954 2.281 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.562 1.893 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.423 1.902 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.568 2.999 -2.997 1.00 0.00 H new ATOM 496 N PRO A 30 4.914 3.635 -6.338 1.00 0.00 N ATOM 497 CA PRO A 30 4.555 2.909 -7.583 1.00 0.00 C ATOM 498 C PRO A 30 4.473 1.405 -7.317 1.00 0.00 C ATOM 499 O PRO A 30 5.146 0.882 -6.451 1.00 0.00 O ATOM 500 CB PRO A 30 5.700 3.243 -8.539 1.00 0.00 C ATOM 501 CG PRO A 30 6.849 3.585 -7.649 1.00 0.00 C ATOM 502 CD PRO A 30 6.257 4.225 -6.420 1.00 0.00 C ATOM 0 HA PRO A 30 3.583 3.195 -7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.937 2.397 -9.184 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.441 4.078 -9.190 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.417 2.692 -7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.538 4.266 -8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.847 4.006 -5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.213 5.310 -6.514 1.00 0.00 H new ATOM 510 N ASN A 31 3.651 0.700 -8.053 1.00 0.00 N ATOM 511 CA ASN A 31 3.528 -0.775 -7.834 1.00 0.00 C ATOM 512 C ASN A 31 3.024 -1.057 -6.416 1.00 0.00 C ATOM 513 O ASN A 31 3.754 -1.531 -5.568 1.00 0.00 O ATOM 514 CB ASN A 31 4.935 -1.346 -8.032 1.00 0.00 C ATOM 515 CG ASN A 31 4.843 -2.856 -8.262 1.00 0.00 C ATOM 516 OD1 ASN A 31 3.927 -3.330 -8.903 1.00 0.00 O ATOM 517 ND2 ASN A 31 5.761 -3.636 -7.760 1.00 0.00 N ATOM 0 H ASN A 31 3.061 1.080 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 31 2.816 -1.229 -8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.418 -0.866 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.551 -1.137 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.709 -4.644 -7.906 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.530 -3.237 -7.222 1.00 0.00 H new ATOM 524 N VAL A 32 1.790 -0.728 -6.146 1.00 0.00 N ATOM 525 CA VAL A 32 1.259 -0.940 -4.767 1.00 0.00 C ATOM 526 C VAL A 32 1.439 -2.406 -4.369 1.00 0.00 C ATOM 527 O VAL A 32 0.852 -3.300 -4.945 1.00 0.00 O ATOM 528 CB VAL A 32 -0.234 -0.595 -4.857 1.00 0.00 C ATOM 529 CG1 VAL A 32 -0.938 -1.560 -5.816 1.00 0.00 C ATOM 530 CG2 VAL A 32 -0.867 -0.708 -3.467 1.00 0.00 C ATOM 0 H VAL A 32 1.131 -0.325 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 32 1.773 -0.331 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.343 0.423 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.997 -1.308 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.491 -1.479 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.828 -2.581 -5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.927 -0.463 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.751 -1.726 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.374 -0.015 -2.785 1.00 0.00 H new ATOM 540 N LYS A 33 2.285 -2.661 -3.406 1.00 0.00 N ATOM 541 CA LYS A 33 2.549 -4.069 -2.988 1.00 0.00 C ATOM 542 C LYS A 33 1.860 -4.380 -1.662 1.00 0.00 C ATOM 543 O LYS A 33 1.794 -3.558 -0.775 1.00 0.00 O ATOM 544 CB LYS A 33 4.088 -4.176 -2.834 1.00 0.00 C ATOM 545 CG LYS A 33 4.649 -2.983 -2.027 1.00 0.00 C ATOM 546 CD LYS A 33 6.087 -3.269 -1.562 1.00 0.00 C ATOM 547 CE LYS A 33 6.985 -3.470 -2.785 1.00 0.00 C ATOM 548 NZ LYS A 33 7.310 -2.093 -3.250 1.00 0.00 N ATOM 0 H LYS A 33 2.806 -1.952 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 33 2.163 -4.780 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.343 -5.110 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.554 -4.205 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.632 -2.082 -2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.013 -2.791 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.457 -2.441 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.107 -4.158 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.888 -4.023 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.474 -4.039 -3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.174 -2.033 -4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.683 -1.410 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.300 -1.873 -3.018 1.00 0.00 H new ATOM 562 N LEU A 34 1.360 -5.572 -1.512 1.00 0.00 N ATOM 563 CA LEU A 34 0.695 -5.936 -0.233 1.00 0.00 C ATOM 564 C LEU A 34 1.669 -5.726 0.921 1.00 0.00 C ATOM 565 O LEU A 34 1.297 -5.317 2.003 1.00 0.00 O ATOM 566 CB LEU A 34 0.358 -7.420 -0.369 1.00 0.00 C ATOM 567 CG LEU A 34 -0.314 -7.906 0.913 1.00 0.00 C ATOM 568 CD1 LEU A 34 -1.806 -7.574 0.863 1.00 0.00 C ATOM 569 CD2 LEU A 34 -0.131 -9.420 1.041 1.00 0.00 C ATOM 0 H LEU A 34 1.383 -6.308 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.191 -5.333 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.303 -7.578 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.265 -7.995 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 34 0.139 -7.412 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.287 -7.921 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.936 -6.496 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.260 -8.069 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.610 -9.768 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.585 -9.915 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.933 -9.656 1.076 1.00 0.00 H new ATOM 581 N HIS A 35 2.914 -6.017 0.692 1.00 0.00 N ATOM 582 CA HIS A 35 3.932 -5.856 1.761 1.00 0.00 C ATOM 583 C HIS A 35 3.938 -4.427 2.312 1.00 0.00 C ATOM 584 O HIS A 35 3.995 -4.229 3.499 1.00 0.00 O ATOM 585 CB HIS A 35 5.264 -6.173 1.082 1.00 0.00 C ATOM 586 CG HIS A 35 5.252 -7.592 0.582 1.00 0.00 C ATOM 587 ND1 HIS A 35 5.442 -8.676 1.425 1.00 0.00 N ATOM 588 CD2 HIS A 35 5.072 -8.120 -0.672 1.00 0.00 C ATOM 589 CE1 HIS A 35 5.373 -9.791 0.674 1.00 0.00 C ATOM 590 NE2 HIS A 35 5.149 -9.509 -0.611 1.00 0.00 N ATOM 0 H HIS A 35 3.274 -6.363 -0.198 1.00 0.00 H new ATOM 0 HA HIS A 35 3.731 -6.508 2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.433 -5.486 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.085 -6.032 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.897 -7.545 -1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.485 -10.792 1.064 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.054 -10.169 -1.383 1.00 0.00 H new ATOM 598 N GLU A 36 3.864 -3.427 1.476 1.00 0.00 N ATOM 599 CA GLU A 36 3.856 -2.028 2.012 1.00 0.00 C ATOM 600 C GLU A 36 2.505 -1.713 2.660 1.00 0.00 C ATOM 601 O GLU A 36 2.426 -1.108 3.710 1.00 0.00 O ATOM 602 CB GLU A 36 4.173 -1.107 0.814 1.00 0.00 C ATOM 603 CG GLU A 36 2.898 -0.703 0.055 1.00 0.00 C ATOM 604 CD GLU A 36 3.270 0.097 -1.198 1.00 0.00 C ATOM 605 OE1 GLU A 36 4.443 0.390 -1.368 1.00 0.00 O ATOM 606 OE2 GLU A 36 2.374 0.403 -1.966 1.00 0.00 O ATOM 0 H GLU A 36 3.809 -3.511 0.461 1.00 0.00 H new ATOM 0 HA GLU A 36 4.598 -1.883 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.685 -0.212 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.856 -1.616 0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.333 -1.592 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.253 -0.106 0.700 1.00 0.00 H new ATOM 613 N LEU A 37 1.442 -2.114 2.033 1.00 0.00 N ATOM 614 CA LEU A 37 0.100 -1.833 2.600 1.00 0.00 C ATOM 615 C LEU A 37 -0.141 -2.633 3.887 1.00 0.00 C ATOM 616 O LEU A 37 -0.522 -2.087 4.903 1.00 0.00 O ATOM 617 CB LEU A 37 -0.869 -2.260 1.496 1.00 0.00 C ATOM 618 CG LEU A 37 -0.929 -1.178 0.419 1.00 0.00 C ATOM 619 CD1 LEU A 37 -1.623 -1.739 -0.822 1.00 0.00 C ATOM 620 CD2 LEU A 37 -1.728 0.017 0.945 1.00 0.00 C ATOM 0 H LEU A 37 1.443 -2.625 1.150 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.020 -0.787 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.545 -3.204 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.862 -2.426 1.914 1.00 0.00 H new ATOM 0 HG LEU A 37 0.082 -0.860 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.668 -0.970 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.063 -2.596 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.634 -2.052 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.772 0.791 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.739 -0.304 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.242 0.416 1.835 1.00 0.00 H new ATOM 632 N VAL A 38 0.062 -3.921 3.850 1.00 0.00 N ATOM 633 CA VAL A 38 -0.176 -4.750 5.071 1.00 0.00 C ATOM 634 C VAL A 38 0.907 -4.538 6.142 1.00 0.00 C ATOM 635 O VAL A 38 0.606 -4.339 7.301 1.00 0.00 O ATOM 636 CB VAL A 38 -0.174 -6.192 4.564 1.00 0.00 C ATOM 637 CG1 VAL A 38 -0.336 -7.150 5.747 1.00 0.00 C ATOM 638 CG2 VAL A 38 -1.340 -6.386 3.586 1.00 0.00 C ATOM 0 H VAL A 38 0.382 -4.437 3.030 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.112 -4.478 5.560 1.00 0.00 H new ATOM 0 HB VAL A 38 0.768 -6.400 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.335 -8.178 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.490 -7.010 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.279 -6.945 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.342 -7.413 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.281 -6.180 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.226 -5.703 2.744 1.00 0.00 H new ATOM 648 N GLU A 39 2.158 -4.603 5.775 1.00 0.00 N ATOM 649 CA GLU A 39 3.251 -4.439 6.794 1.00 0.00 C ATOM 650 C GLU A 39 3.120 -3.124 7.570 1.00 0.00 C ATOM 651 O GLU A 39 3.471 -3.055 8.732 1.00 0.00 O ATOM 652 CB GLU A 39 4.566 -4.461 6.020 1.00 0.00 C ATOM 653 CG GLU A 39 5.737 -4.533 7.005 1.00 0.00 C ATOM 654 CD GLU A 39 7.064 -4.511 6.239 1.00 0.00 C ATOM 655 OE1 GLU A 39 7.028 -4.442 5.021 1.00 0.00 O ATOM 656 OE2 GLU A 39 8.097 -4.567 6.887 1.00 0.00 O ATOM 0 H GLU A 39 2.476 -4.762 4.819 1.00 0.00 H new ATOM 0 HA GLU A 39 3.197 -5.239 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.590 -5.318 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.651 -3.567 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.693 -3.693 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.666 -5.442 7.602 1.00 0.00 H new ATOM 663 N ALA A 40 2.617 -2.083 6.963 1.00 0.00 N ATOM 664 CA ALA A 40 2.480 -0.799 7.712 1.00 0.00 C ATOM 665 C ALA A 40 1.471 -0.971 8.847 1.00 0.00 C ATOM 666 O ALA A 40 1.691 -0.547 9.963 1.00 0.00 O ATOM 667 CB ALA A 40 1.963 0.210 6.689 1.00 0.00 C ATOM 0 H ALA A 40 2.299 -2.064 5.994 1.00 0.00 H new ATOM 0 HA ALA A 40 3.421 -0.475 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.837 1.181 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.678 0.298 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.004 -0.128 6.297 1.00 0.00 H new ATOM 673 N SER A 41 0.371 -1.603 8.565 1.00 0.00 N ATOM 674 CA SER A 41 -0.658 -1.828 9.619 1.00 0.00 C ATOM 675 C SER A 41 -0.113 -2.779 10.682 1.00 0.00 C ATOM 676 O SER A 41 -0.396 -2.647 11.857 1.00 0.00 O ATOM 677 CB SER A 41 -1.831 -2.469 8.892 1.00 0.00 C ATOM 678 OG SER A 41 -1.506 -3.816 8.574 1.00 0.00 O ATOM 0 H SER A 41 0.136 -1.977 7.645 1.00 0.00 H new ATOM 0 HA SER A 41 -0.944 -0.905 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.723 -2.436 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.058 -1.913 7.982 1.00 0.00 H new ATOM 0 HG SER A 41 -0.722 -3.833 7.987 1.00 0.00 H new ATOM 684 N LYS A 42 0.674 -3.734 10.276 1.00 0.00 N ATOM 685 CA LYS A 42 1.249 -4.694 11.264 1.00 0.00 C ATOM 686 C LYS A 42 2.011 -3.925 12.340 1.00 0.00 C ATOM 687 O LYS A 42 2.034 -4.304 13.494 1.00 0.00 O ATOM 688 CB LYS A 42 2.195 -5.591 10.465 1.00 0.00 C ATOM 689 CG LYS A 42 1.390 -6.431 9.472 1.00 0.00 C ATOM 690 CD LYS A 42 0.520 -7.429 10.236 1.00 0.00 C ATOM 691 CE LYS A 42 -0.070 -8.446 9.256 1.00 0.00 C ATOM 692 NZ LYS A 42 -1.241 -9.031 9.967 1.00 0.00 N ATOM 0 H LYS A 42 0.945 -3.893 9.306 1.00 0.00 H new ATOM 0 HA LYS A 42 0.481 -5.281 11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.926 -4.983 9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.752 -6.242 11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.765 -5.785 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.063 -6.961 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.114 -7.940 10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.280 -6.905 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.372 -7.967 8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.659 -9.214 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.699 -9.739 9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.922 -9.486 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.921 -8.278 10.194 1.00 0.00 H new ATOM 706 N GLU A 43 2.631 -2.840 11.970 1.00 0.00 N ATOM 707 CA GLU A 43 3.386 -2.036 12.967 1.00 0.00 C ATOM 708 C GLU A 43 2.448 -1.603 14.103 1.00 0.00 C ATOM 709 O GLU A 43 2.818 -1.592 15.260 1.00 0.00 O ATOM 710 CB GLU A 43 3.875 -0.820 12.177 1.00 0.00 C ATOM 711 CG GLU A 43 4.945 -1.247 11.165 1.00 0.00 C ATOM 712 CD GLU A 43 6.130 -1.871 11.906 1.00 0.00 C ATOM 713 OE1 GLU A 43 6.237 -1.655 13.102 1.00 0.00 O ATOM 714 OE2 GLU A 43 6.911 -2.553 11.264 1.00 0.00 O ATOM 0 H GLU A 43 2.647 -2.475 11.018 1.00 0.00 H new ATOM 0 HA GLU A 43 4.207 -2.587 13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.038 -0.353 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.284 -0.074 12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.527 -1.964 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.278 -0.385 10.586 1.00 0.00 H new ATOM 721 N LEU A 44 1.234 -1.252 13.774 1.00 0.00 N ATOM 722 CA LEU A 44 0.262 -0.824 14.826 1.00 0.00 C ATOM 723 C LEU A 44 -0.750 -1.940 15.126 1.00 0.00 C ATOM 724 O LEU A 44 -1.507 -1.863 16.073 1.00 0.00 O ATOM 725 CB LEU A 44 -0.452 0.390 14.230 1.00 0.00 C ATOM 726 CG LEU A 44 -0.045 1.652 14.992 1.00 0.00 C ATOM 727 CD1 LEU A 44 -0.455 1.519 16.461 1.00 0.00 C ATOM 728 CD2 LEU A 44 1.472 1.834 14.901 1.00 0.00 C ATOM 0 H LEU A 44 0.871 -1.243 12.821 1.00 0.00 H new ATOM 0 HA LEU A 44 0.761 -0.594 15.768 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.197 0.492 13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.532 0.252 14.285 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.543 2.517 14.554 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.164 2.419 17.003 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.535 1.389 16.527 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.042 0.654 16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.764 2.733 15.444 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.969 0.968 15.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.765 1.930 13.855 1.00 0.00 H new ATOM 740 N GLY A 45 -0.758 -2.983 14.337 1.00 0.00 N ATOM 741 CA GLY A 45 -1.707 -4.111 14.585 1.00 0.00 C ATOM 742 C GLY A 45 -3.165 -3.670 14.370 1.00 0.00 C ATOM 743 O GLY A 45 -4.082 -4.435 14.591 1.00 0.00 O ATOM 0 H GLY A 45 -0.147 -3.103 13.529 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.473 -4.940 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.582 -4.478 15.604 1.00 0.00 H new ATOM 747 N LEU A 46 -3.394 -2.455 13.941 1.00 0.00 N ATOM 748 CA LEU A 46 -4.794 -1.987 13.720 1.00 0.00 C ATOM 749 C LEU A 46 -4.772 -0.568 13.155 1.00 0.00 C ATOM 750 O LEU A 46 -4.386 0.363 13.830 1.00 0.00 O ATOM 751 CB LEU A 46 -5.449 -1.998 15.103 1.00 0.00 C ATOM 752 CG LEU A 46 -6.968 -1.924 14.948 1.00 0.00 C ATOM 753 CD1 LEU A 46 -7.634 -2.704 16.083 1.00 0.00 C ATOM 754 CD2 LEU A 46 -7.416 -0.463 15.008 1.00 0.00 C ATOM 0 H LEU A 46 -2.670 -1.767 13.734 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.337 -2.616 13.014 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.171 -2.904 15.641 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.091 -1.154 15.693 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.256 -2.355 13.989 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.717 -2.652 15.974 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.315 -3.746 16.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.345 -2.271 17.041 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.499 -0.410 14.897 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.128 -0.033 15.967 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.941 0.097 14.202 1.00 0.00 H new ATOM 766 N LYS A 47 -5.197 -0.400 11.930 1.00 0.00 N ATOM 767 CA LYS A 47 -5.218 0.953 11.290 1.00 0.00 C ATOM 768 C LYS A 47 -5.583 0.795 9.816 1.00 0.00 C ATOM 769 O LYS A 47 -6.319 1.578 9.253 1.00 0.00 O ATOM 770 CB LYS A 47 -3.791 1.509 11.397 1.00 0.00 C ATOM 771 CG LYS A 47 -3.734 2.881 10.723 1.00 0.00 C ATOM 772 CD LYS A 47 -2.309 3.431 10.802 1.00 0.00 C ATOM 773 CE LYS A 47 -1.402 2.626 9.867 1.00 0.00 C ATOM 774 NZ LYS A 47 -1.570 3.262 8.531 1.00 0.00 N ATOM 0 H LYS A 47 -5.537 -1.155 11.334 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.940 1.614 11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.498 1.592 12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.086 0.827 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.046 2.799 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.427 3.566 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.297 4.484 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.940 3.371 11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.363 2.664 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.691 1.575 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.871 2.869 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.529 3.073 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.428 4.289 8.615 1.00 0.00 H new ATOM 788 N PHE A 48 -5.058 -0.224 9.196 1.00 0.00 N ATOM 789 CA PHE A 48 -5.341 -0.469 7.756 1.00 0.00 C ATOM 790 C PHE A 48 -5.902 -1.891 7.577 1.00 0.00 C ATOM 791 O PHE A 48 -5.738 -2.745 8.425 1.00 0.00 O ATOM 792 CB PHE A 48 -3.973 -0.256 7.076 1.00 0.00 C ATOM 793 CG PHE A 48 -3.761 -1.191 5.904 1.00 0.00 C ATOM 794 CD1 PHE A 48 -3.468 -2.539 6.133 1.00 0.00 C ATOM 795 CD2 PHE A 48 -3.827 -0.702 4.595 1.00 0.00 C ATOM 796 CE1 PHE A 48 -3.242 -3.399 5.059 1.00 0.00 C ATOM 797 CE2 PHE A 48 -3.605 -1.564 3.516 1.00 0.00 C ATOM 798 CZ PHE A 48 -3.311 -2.913 3.748 1.00 0.00 C ATOM 0 H PHE A 48 -4.437 -0.906 9.632 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.095 0.188 7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.897 0.776 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.179 -0.408 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.417 -2.915 7.144 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.049 0.340 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.014 -4.439 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.660 -1.189 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.137 -3.579 2.915 1.00 0.00 H new ATOM 808 N ARG A 49 -6.559 -2.142 6.479 1.00 0.00 N ATOM 809 CA ARG A 49 -7.129 -3.493 6.239 1.00 0.00 C ATOM 810 C ARG A 49 -7.124 -3.772 4.743 1.00 0.00 C ATOM 811 O ARG A 49 -7.386 -2.895 3.947 1.00 0.00 O ATOM 812 CB ARG A 49 -8.562 -3.414 6.766 1.00 0.00 C ATOM 813 CG ARG A 49 -9.248 -4.772 6.603 1.00 0.00 C ATOM 814 CD ARG A 49 -8.647 -5.771 7.596 1.00 0.00 C ATOM 815 NE ARG A 49 -9.729 -6.762 7.854 1.00 0.00 N ATOM 816 CZ ARG A 49 -9.836 -7.313 9.033 1.00 0.00 C ATOM 817 NH1 ARG A 49 -8.769 -7.743 9.649 1.00 0.00 N ATOM 818 NH2 ARG A 49 -11.008 -7.432 9.597 1.00 0.00 N ATOM 0 H ARG A 49 -6.725 -1.464 5.735 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.566 -4.289 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.558 -3.122 7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.117 -2.648 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.320 -4.673 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.121 -5.135 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.761 -6.253 7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.339 -5.275 8.517 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.384 -7.009 7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.853 -7.648 9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.851 -8.174 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.842 -7.094 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.089 -7.863 10.518 1.00 0.00 H new ATOM 832 N ALA A 50 -6.838 -4.974 4.342 1.00 0.00 N ATOM 833 CA ALA A 50 -6.840 -5.264 2.887 1.00 0.00 C ATOM 834 C ALA A 50 -7.624 -6.546 2.602 1.00 0.00 C ATOM 835 O ALA A 50 -7.386 -7.575 3.202 1.00 0.00 O ATOM 836 CB ALA A 50 -5.370 -5.433 2.507 1.00 0.00 C ATOM 0 H ALA A 50 -6.606 -5.760 4.950 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.316 -4.470 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.292 -5.650 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.828 -4.514 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.939 -6.256 3.078 1.00 0.00 H new ATOM 842 N GLU A 51 -8.555 -6.499 1.689 1.00 0.00 N ATOM 843 CA GLU A 51 -9.342 -7.725 1.373 1.00 0.00 C ATOM 844 C GLU A 51 -9.560 -7.851 -0.138 1.00 0.00 C ATOM 845 O GLU A 51 -10.003 -6.928 -0.792 1.00 0.00 O ATOM 846 CB GLU A 51 -10.675 -7.532 2.097 1.00 0.00 C ATOM 847 CG GLU A 51 -11.534 -8.790 1.935 1.00 0.00 C ATOM 848 CD GLU A 51 -12.897 -8.577 2.602 1.00 0.00 C ATOM 849 OE1 GLU A 51 -13.105 -7.511 3.162 1.00 0.00 O ATOM 850 OE2 GLU A 51 -13.710 -9.484 2.541 1.00 0.00 O ATOM 0 H GLU A 51 -8.804 -5.669 1.150 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.832 -8.635 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.501 -7.332 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.199 -6.667 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.668 -9.016 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.029 -9.646 2.383 1.00 0.00 H new ATOM 857 N GLU A 52 -9.251 -8.990 -0.695 1.00 0.00 N ATOM 858 CA GLU A 52 -9.436 -9.185 -2.163 1.00 0.00 C ATOM 859 C GLU A 52 -10.790 -9.850 -2.441 1.00 0.00 C ATOM 860 O GLU A 52 -11.244 -10.690 -1.689 1.00 0.00 O ATOM 861 CB GLU A 52 -8.290 -10.102 -2.586 1.00 0.00 C ATOM 862 CG GLU A 52 -6.954 -9.415 -2.289 1.00 0.00 C ATOM 863 CD GLU A 52 -5.799 -10.304 -2.759 1.00 0.00 C ATOM 864 OE1 GLU A 52 -6.055 -11.447 -3.102 1.00 0.00 O ATOM 865 OE2 GLU A 52 -4.677 -9.826 -2.766 1.00 0.00 O ATOM 0 H GLU A 52 -8.877 -9.797 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.427 -8.243 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.351 -11.050 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.366 -10.331 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.911 -8.450 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.864 -9.221 -1.220 1.00 0.00 H new ATOM 1069 N GLY A 64 -6.026 -5.086 -5.870 1.00 0.00 N ATOM 1070 CA GLY A 64 -6.705 -5.377 -4.574 1.00 0.00 C ATOM 1071 C GLY A 64 -7.323 -4.089 -4.020 1.00 0.00 C ATOM 1072 O GLY A 64 -7.401 -3.085 -4.700 1.00 0.00 O ATOM 0 HA2 GLY A 64 -7.478 -6.131 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.990 -5.786 -3.860 1.00 0.00 H new ATOM 1076 N ARG A 65 -7.736 -4.102 -2.782 1.00 0.00 N ATOM 1077 CA ARG A 65 -8.320 -2.867 -2.175 1.00 0.00 C ATOM 1078 C ARG A 65 -8.089 -2.872 -0.662 1.00 0.00 C ATOM 1079 O ARG A 65 -8.131 -3.911 -0.031 1.00 0.00 O ATOM 1080 CB ARG A 65 -9.814 -2.928 -2.501 1.00 0.00 C ATOM 1081 CG ARG A 65 -10.448 -4.133 -1.801 1.00 0.00 C ATOM 1082 CD ARG A 65 -11.871 -4.340 -2.327 1.00 0.00 C ATOM 1083 NE ARG A 65 -12.436 -5.436 -1.489 1.00 0.00 N ATOM 1084 CZ ARG A 65 -13.633 -5.319 -0.982 1.00 0.00 C ATOM 1085 NH1 ARG A 65 -14.680 -5.372 -1.761 1.00 0.00 N ATOM 1086 NH2 ARG A 65 -13.783 -5.151 0.303 1.00 0.00 N ATOM 0 H ARG A 65 -7.695 -4.912 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.864 -1.956 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.304 -2.009 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.958 -3.005 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.850 -5.027 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.467 -3.972 -0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.462 -3.429 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.866 -4.612 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.887 -6.277 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.562 -5.505 -2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.616 -5.281 -1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.965 -5.111 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.718 -5.059 0.700 1.00 0.00 H new ATOM 1100 N VAL A 66 -7.848 -1.735 -0.065 1.00 0.00 N ATOM 1101 CA VAL A 66 -7.621 -1.731 1.416 1.00 0.00 C ATOM 1102 C VAL A 66 -8.481 -0.674 2.133 1.00 0.00 C ATOM 1103 O VAL A 66 -8.832 0.347 1.583 1.00 0.00 O ATOM 1104 CB VAL A 66 -6.129 -1.438 1.589 1.00 0.00 C ATOM 1105 CG1 VAL A 66 -5.313 -2.555 0.940 1.00 0.00 C ATOM 1106 CG2 VAL A 66 -5.784 -0.110 0.918 1.00 0.00 C ATOM 0 H VAL A 66 -7.798 -0.825 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.909 -2.683 1.862 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.895 -1.380 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.250 -2.347 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.554 -3.505 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.552 -2.610 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.721 0.096 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.020 -0.167 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.365 0.691 1.376 1.00 0.00 H new ATOM 1116 N VAL A 67 -8.806 -0.923 3.375 1.00 0.00 N ATOM 1117 CA VAL A 67 -9.626 0.048 4.163 1.00 0.00 C ATOM 1118 C VAL A 67 -8.839 0.468 5.407 1.00 0.00 C ATOM 1119 O VAL A 67 -8.312 -0.361 6.121 1.00 0.00 O ATOM 1120 CB VAL A 67 -10.886 -0.724 4.558 1.00 0.00 C ATOM 1121 CG1 VAL A 67 -11.844 0.208 5.302 1.00 0.00 C ATOM 1122 CG2 VAL A 67 -11.569 -1.262 3.297 1.00 0.00 C ATOM 0 H VAL A 67 -8.536 -1.766 3.883 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.871 0.951 3.604 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.615 -1.556 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.742 -0.342 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.357 0.590 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.117 1.041 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.467 -1.813 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.841 -0.430 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.886 -1.927 2.769 1.00 0.00 H new ATOM 1132 N VAL A 68 -8.709 1.742 5.653 1.00 0.00 N ATOM 1133 CA VAL A 68 -7.900 2.189 6.826 1.00 0.00 C ATOM 1134 C VAL A 68 -8.704 3.072 7.778 1.00 0.00 C ATOM 1135 O VAL A 68 -9.572 3.817 7.381 1.00 0.00 O ATOM 1136 CB VAL A 68 -6.734 2.984 6.231 1.00 0.00 C ATOM 1137 CG1 VAL A 68 -5.739 3.338 7.338 1.00 0.00 C ATOM 1138 CG2 VAL A 68 -6.028 2.145 5.161 1.00 0.00 C ATOM 0 H VAL A 68 -9.124 2.490 5.098 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.571 1.334 7.416 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.117 3.899 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.909 3.904 6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.238 3.940 8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.359 2.423 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.199 2.714 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.647 1.228 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.735 1.895 4.370 1.00 0.00 H new ATOM 1148 N GLU A 69 -8.391 2.999 9.039 1.00 0.00 N ATOM 1149 CA GLU A 69 -9.094 3.832 10.043 1.00 0.00 C ATOM 1150 C GLU A 69 -8.663 5.288 9.866 1.00 0.00 C ATOM 1151 O GLU A 69 -7.543 5.568 9.491 1.00 0.00 O ATOM 1152 CB GLU A 69 -8.630 3.282 11.394 1.00 0.00 C ATOM 1153 CG GLU A 69 -9.310 4.050 12.529 1.00 0.00 C ATOM 1154 CD GLU A 69 -8.771 3.570 13.881 1.00 0.00 C ATOM 1155 OE1 GLU A 69 -7.906 2.708 13.885 1.00 0.00 O ATOM 1156 OE2 GLU A 69 -9.232 4.076 14.891 1.00 0.00 O ATOM 0 H GLU A 69 -7.668 2.388 9.419 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.180 3.800 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.869 2.221 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.547 3.371 11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.130 5.119 12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.389 3.902 12.485 1.00 0.00 H new ATOM 1163 N LYS A 70 -9.562 6.196 10.149 1.00 0.00 N ATOM 1164 CA LYS A 70 -9.303 7.680 10.034 1.00 0.00 C ATOM 1165 C LYS A 70 -10.650 8.382 9.881 1.00 0.00 C ATOM 1166 O LYS A 70 -11.120 9.053 10.777 1.00 0.00 O ATOM 1167 CB LYS A 70 -8.432 7.916 8.783 1.00 0.00 C ATOM 1168 CG LYS A 70 -6.994 8.231 9.224 1.00 0.00 C ATOM 1169 CD LYS A 70 -6.070 8.331 8.005 1.00 0.00 C ATOM 1170 CE LYS A 70 -4.689 8.805 8.455 1.00 0.00 C ATOM 1171 NZ LYS A 70 -3.892 7.559 8.624 1.00 0.00 N ATOM 0 H LYS A 70 -10.504 5.968 10.468 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.788 8.069 10.913 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.445 7.033 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.834 8.741 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.975 9.168 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.635 7.453 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.992 7.361 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.486 9.026 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.237 9.465 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.748 9.365 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.929 7.802 8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.342 6.953 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.847 7.050 7.718 1.00 0.00 H new ATOM 1185 N ARG A 71 -11.290 8.188 8.759 1.00 0.00 N ATOM 1186 CA ARG A 71 -12.636 8.792 8.524 1.00 0.00 C ATOM 1187 C ARG A 71 -12.592 10.321 8.628 1.00 0.00 C ATOM 1188 O ARG A 71 -12.108 10.882 9.591 1.00 0.00 O ATOM 1189 CB ARG A 71 -13.509 8.193 9.625 1.00 0.00 C ATOM 1190 CG ARG A 71 -14.888 7.862 9.065 1.00 0.00 C ATOM 1191 CD ARG A 71 -15.845 7.545 10.215 1.00 0.00 C ATOM 1192 NE ARG A 71 -16.077 8.851 10.891 1.00 0.00 N ATOM 1193 CZ ARG A 71 -17.193 9.067 11.532 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -18.288 9.316 10.867 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -17.214 9.032 12.835 1.00 0.00 N ATOM 0 H ARG A 71 -10.933 7.629 7.984 1.00 0.00 H new ATOM 0 HA ARG A 71 -13.015 8.580 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.042 7.292 10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.601 8.897 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.267 8.703 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.822 7.010 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.778 7.120 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.412 6.817 10.900 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.363 9.578 10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.271 9.342 9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.161 9.485 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.358 8.836 13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.086 9.201 13.336 1.00 0.00 H new ATOM 1209 N GLY A 72 -13.103 10.998 7.636 1.00 0.00 N ATOM 1210 CA GLY A 72 -13.102 12.489 7.663 1.00 0.00 C ATOM 1211 C GLY A 72 -11.921 13.014 6.844 1.00 0.00 C ATOM 1212 O GLY A 72 -11.930 14.131 6.369 1.00 0.00 O ATOM 0 H GLY A 72 -13.523 10.581 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.038 12.871 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.032 12.845 8.691 1.00 0.00 H new ATOM 1216 N THR A 73 -10.904 12.216 6.678 1.00 0.00 N ATOM 1217 CA THR A 73 -9.720 12.666 5.891 1.00 0.00 C ATOM 1218 C THR A 73 -9.830 12.200 4.435 1.00 0.00 C ATOM 1219 O THR A 73 -10.566 11.287 4.117 1.00 0.00 O ATOM 1220 CB THR A 73 -8.524 12.011 6.581 1.00 0.00 C ATOM 1221 OG1 THR A 73 -8.750 10.612 6.684 1.00 0.00 O ATOM 1222 CG2 THR A 73 -8.346 12.608 7.977 1.00 0.00 C ATOM 0 H THR A 73 -10.840 11.270 7.054 1.00 0.00 H new ATOM 0 HA THR A 73 -9.633 13.752 5.860 1.00 0.00 H new ATOM 0 HB THR A 73 -7.622 12.192 5.997 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.155 10.284 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.493 12.139 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.173 13.681 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.246 12.430 8.566 1.00 0.00 H new ATOM 1230 N LYS A 74 -9.093 12.818 3.552 1.00 0.00 N ATOM 1231 CA LYS A 74 -9.138 12.413 2.116 1.00 0.00 C ATOM 1232 C LYS A 74 -7.709 12.104 1.632 1.00 0.00 C ATOM 1233 O LYS A 74 -7.095 11.162 2.092 1.00 0.00 O ATOM 1234 CB LYS A 74 -9.743 13.617 1.388 1.00 0.00 C ATOM 1235 CG LYS A 74 -11.165 13.856 1.898 1.00 0.00 C ATOM 1236 CD LYS A 74 -11.814 14.984 1.094 1.00 0.00 C ATOM 1237 CE LYS A 74 -13.173 15.330 1.707 1.00 0.00 C ATOM 1238 NZ LYS A 74 -13.996 15.817 0.566 1.00 0.00 N ATOM 0 H LYS A 74 -8.459 13.589 3.763 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.728 11.515 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.131 14.503 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.756 13.437 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.754 12.944 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.144 14.115 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.169 15.863 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.939 14.679 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.627 14.458 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.075 16.094 2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.944 16.074 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.542 16.651 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.077 15.066 -0.149 1.00 0.00 H new ATOM 1252 N THR A 75 -7.154 12.885 0.735 1.00 0.00 N ATOM 1253 CA THR A 75 -5.761 12.605 0.282 1.00 0.00 C ATOM 1254 C THR A 75 -4.840 12.652 1.496 1.00 0.00 C ATOM 1255 O THR A 75 -3.896 11.897 1.603 1.00 0.00 O ATOM 1256 CB THR A 75 -5.416 13.707 -0.723 1.00 0.00 C ATOM 1257 OG1 THR A 75 -6.510 13.893 -1.610 1.00 0.00 O ATOM 1258 CG2 THR A 75 -4.180 13.294 -1.530 1.00 0.00 C ATOM 0 H THR A 75 -7.602 13.694 0.304 1.00 0.00 H new ATOM 0 HA THR A 75 -5.652 11.624 -0.181 1.00 0.00 H new ATOM 0 HB THR A 75 -5.212 14.635 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.293 14.599 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.934 14.078 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.338 13.142 -0.854 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.388 12.367 -2.065 1.00 0.00 H new ATOM 1266 N LYS A 76 -5.101 13.537 2.423 1.00 0.00 N ATOM 1267 CA LYS A 76 -4.230 13.618 3.631 1.00 0.00 C ATOM 1268 C LYS A 76 -4.089 12.225 4.238 1.00 0.00 C ATOM 1269 O LYS A 76 -3.009 11.809 4.604 1.00 0.00 O ATOM 1270 CB LYS A 76 -4.961 14.547 4.594 1.00 0.00 C ATOM 1271 CG LYS A 76 -5.174 15.902 3.924 1.00 0.00 C ATOM 1272 CD LYS A 76 -5.595 16.930 4.975 1.00 0.00 C ATOM 1273 CE LYS A 76 -6.921 16.499 5.605 1.00 0.00 C ATOM 1274 NZ LYS A 76 -7.753 17.734 5.638 1.00 0.00 N ATOM 0 H LYS A 76 -5.874 14.202 2.396 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.229 13.987 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.920 14.114 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.383 14.668 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.257 16.224 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.939 15.822 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.826 17.017 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.700 17.913 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.401 15.716 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.770 16.098 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.679 17.517 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.275 18.459 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.886 18.089 4.670 1.00 0.00 H new ATOM 1288 N LEU A 77 -5.156 11.471 4.297 1.00 0.00 N ATOM 1289 CA LEU A 77 -5.035 10.088 4.819 1.00 0.00 C ATOM 1290 C LEU A 77 -4.094 9.331 3.895 1.00 0.00 C ATOM 1291 O LEU A 77 -3.214 8.612 4.325 1.00 0.00 O ATOM 1292 CB LEU A 77 -6.449 9.508 4.741 1.00 0.00 C ATOM 1293 CG LEU A 77 -6.413 8.008 5.050 1.00 0.00 C ATOM 1294 CD1 LEU A 77 -7.713 7.592 5.739 1.00 0.00 C ATOM 1295 CD2 LEU A 77 -6.271 7.225 3.744 1.00 0.00 C ATOM 0 H LEU A 77 -6.093 11.753 4.009 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.646 10.032 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.101 10.019 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.866 9.674 3.748 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.568 7.797 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.684 6.524 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.827 8.149 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.557 7.805 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.245 6.157 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.119 7.443 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.347 7.516 3.244 1.00 0.00 H new ATOM 1307 N MET A 78 -4.278 9.502 2.614 1.00 0.00 N ATOM 1308 CA MET A 78 -3.394 8.807 1.645 1.00 0.00 C ATOM 1309 C MET A 78 -1.963 9.269 1.857 1.00 0.00 C ATOM 1310 O MET A 78 -1.037 8.482 1.848 1.00 0.00 O ATOM 1311 CB MET A 78 -3.898 9.224 0.270 1.00 0.00 C ATOM 1312 CG MET A 78 -5.057 8.321 -0.138 1.00 0.00 C ATOM 1313 SD MET A 78 -6.624 9.200 0.082 1.00 0.00 S ATOM 1314 CE MET A 78 -6.786 9.805 -1.616 1.00 0.00 C ATOM 0 H MET A 78 -5.001 10.092 2.201 1.00 0.00 H new ATOM 0 HA MET A 78 -3.410 7.723 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.222 10.265 0.289 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.093 9.154 -0.461 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.944 8.015 -1.178 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.051 7.412 0.464 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.976 10.878 -1.603 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.864 9.606 -2.163 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.616 9.296 -2.106 1.00 0.00 H new ATOM 1324 N ILE A 79 -1.773 10.541 2.077 1.00 0.00 N ATOM 1325 CA ILE A 79 -0.388 11.027 2.322 1.00 0.00 C ATOM 1326 C ILE A 79 0.158 10.268 3.543 1.00 0.00 C ATOM 1327 O ILE A 79 1.252 9.741 3.522 1.00 0.00 O ATOM 1328 CB ILE A 79 -0.509 12.561 2.533 1.00 0.00 C ATOM 1329 CG1 ILE A 79 0.531 13.262 1.653 1.00 0.00 C ATOM 1330 CG2 ILE A 79 -0.270 12.974 3.996 1.00 0.00 C ATOM 1331 CD1 ILE A 79 0.198 13.032 0.178 1.00 0.00 C ATOM 0 H ILE A 79 -2.503 11.253 2.098 1.00 0.00 H new ATOM 0 HA ILE A 79 0.310 10.848 1.504 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.525 12.852 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.545 14.330 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.527 12.879 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.366 14.056 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.006 12.488 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.732 12.671 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.940 13.532 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.207 11.963 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.790 13.437 -0.039 1.00 0.00 H new ATOM 1343 N GLU A 80 -0.619 10.184 4.593 1.00 0.00 N ATOM 1344 CA GLU A 80 -0.161 9.430 5.792 1.00 0.00 C ATOM 1345 C GLU A 80 -0.032 7.942 5.449 1.00 0.00 C ATOM 1346 O GLU A 80 0.927 7.301 5.820 1.00 0.00 O ATOM 1347 CB GLU A 80 -1.229 9.679 6.857 1.00 0.00 C ATOM 1348 CG GLU A 80 -1.254 11.175 7.188 1.00 0.00 C ATOM 1349 CD GLU A 80 -2.163 11.436 8.392 1.00 0.00 C ATOM 1350 OE1 GLU A 80 -2.699 10.481 8.925 1.00 0.00 O ATOM 1351 OE2 GLU A 80 -2.306 12.590 8.760 1.00 0.00 O ATOM 0 H GLU A 80 -1.546 10.604 4.669 1.00 0.00 H new ATOM 0 HA GLU A 80 0.819 9.751 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.205 9.356 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.012 9.097 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.244 11.524 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.609 11.740 6.326 1.00 0.00 H new ATOM 1358 N LEU A 81 -0.966 7.376 4.721 1.00 0.00 N ATOM 1359 CA LEU A 81 -0.821 5.933 4.360 1.00 0.00 C ATOM 1360 C LEU A 81 0.501 5.749 3.616 1.00 0.00 C ATOM 1361 O LEU A 81 1.251 4.829 3.867 1.00 0.00 O ATOM 1362 CB LEU A 81 -2.000 5.628 3.438 1.00 0.00 C ATOM 1363 CG LEU A 81 -1.952 4.159 3.019 1.00 0.00 C ATOM 1364 CD1 LEU A 81 -2.653 3.302 4.074 1.00 0.00 C ATOM 1365 CD2 LEU A 81 -2.656 3.992 1.671 1.00 0.00 C ATOM 0 H LEU A 81 -1.804 7.840 4.369 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.817 5.273 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.939 5.841 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.963 6.270 2.558 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.914 3.840 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.618 2.255 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.149 3.422 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.692 3.618 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.623 2.945 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.694 4.311 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.153 4.601 0.920 1.00 0.00 H new ATOM 1377 N ALA A 82 0.812 6.654 2.738 1.00 0.00 N ATOM 1378 CA ALA A 82 2.105 6.577 2.012 1.00 0.00 C ATOM 1379 C ALA A 82 3.241 6.787 3.015 1.00 0.00 C ATOM 1380 O ALA A 82 4.320 6.258 2.877 1.00 0.00 O ATOM 1381 CB ALA A 82 2.060 7.717 0.997 1.00 0.00 C ATOM 0 H ALA A 82 0.223 7.449 2.490 1.00 0.00 H new ATOM 0 HA ALA A 82 2.267 5.618 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.984 7.726 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.214 7.573 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.950 8.666 1.521 1.00 0.00 H new ATOM 1387 N ARG A 83 2.981 7.559 4.032 1.00 0.00 N ATOM 1388 CA ARG A 83 4.037 7.805 5.054 1.00 0.00 C ATOM 1389 C ARG A 83 4.515 6.463 5.622 1.00 0.00 C ATOM 1390 O ARG A 83 5.694 6.176 5.641 1.00 0.00 O ATOM 1391 CB ARG A 83 3.380 8.651 6.146 1.00 0.00 C ATOM 1392 CG ARG A 83 4.461 9.168 7.099 1.00 0.00 C ATOM 1393 CD ARG A 83 3.810 9.914 8.267 1.00 0.00 C ATOM 1394 NE ARG A 83 3.181 11.120 7.661 1.00 0.00 N ATOM 1395 CZ ARG A 83 3.125 12.236 8.336 1.00 0.00 C ATOM 1396 NH1 ARG A 83 2.541 12.266 9.502 1.00 0.00 N ATOM 1397 NH2 ARG A 83 3.656 13.322 7.845 1.00 0.00 N ATOM 0 H ARG A 83 2.091 8.027 4.200 1.00 0.00 H new ATOM 0 HA ARG A 83 4.904 8.316 4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.841 9.487 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.649 8.056 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.056 8.336 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.141 9.832 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.067 9.292 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.550 10.191 9.018 1.00 0.00 H new ATOM 0 HE ARG A 83 2.794 11.074 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.128 11.417 9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.498 13.139 10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.115 13.299 6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.613 14.194 8.372 1.00 0.00 H new ATOM 1411 N LYS A 84 3.607 5.617 6.042 1.00 0.00 N ATOM 1412 CA LYS A 84 4.018 4.273 6.557 1.00 0.00 C ATOM 1413 C LYS A 84 4.374 3.337 5.394 1.00 0.00 C ATOM 1414 O LYS A 84 5.383 2.661 5.411 1.00 0.00 O ATOM 1415 CB LYS A 84 2.811 3.749 7.339 1.00 0.00 C ATOM 1416 CG LYS A 84 2.593 4.629 8.574 1.00 0.00 C ATOM 1417 CD LYS A 84 1.448 4.060 9.412 1.00 0.00 C ATOM 1418 CE LYS A 84 1.180 4.975 10.611 1.00 0.00 C ATOM 1419 NZ LYS A 84 0.246 6.019 10.102 1.00 0.00 N ATOM 0 H LYS A 84 2.603 5.797 6.051 1.00 0.00 H new ATOM 0 HA LYS A 84 4.905 4.331 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.922 3.759 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.978 2.714 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.506 4.672 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.362 5.650 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.549 3.970 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.701 3.057 9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.738 4.421 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.104 5.419 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.588 6.959 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.199 5.966 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.702 5.861 10.500 1.00 0.00 H new ATOM 1433 N ILE A 85 3.538 3.288 4.387 1.00 0.00 N ATOM 1434 CA ILE A 85 3.810 2.389 3.222 1.00 0.00 C ATOM 1435 C ILE A 85 5.141 2.767 2.553 1.00 0.00 C ATOM 1436 O ILE A 85 5.905 1.914 2.147 1.00 0.00 O ATOM 1437 CB ILE A 85 2.604 2.594 2.277 1.00 0.00 C ATOM 1438 CG1 ILE A 85 1.453 1.660 2.687 1.00 0.00 C ATOM 1439 CG2 ILE A 85 2.986 2.279 0.824 1.00 0.00 C ATOM 1440 CD1 ILE A 85 1.127 1.822 4.175 1.00 0.00 C ATOM 0 H ILE A 85 2.678 3.832 4.321 1.00 0.00 H new ATOM 0 HA ILE A 85 3.912 1.342 3.509 1.00 0.00 H new ATOM 0 HB ILE A 85 2.294 3.636 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.568 1.881 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.727 0.625 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.120 2.431 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.794 2.940 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.315 1.243 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.310 1.152 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.007 1.577 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.831 2.852 4.373 1.00 0.00 H new ATOM 1452 N ALA A 86 5.419 4.032 2.433 1.00 0.00 N ATOM 1453 CA ALA A 86 6.693 4.454 1.786 1.00 0.00 C ATOM 1454 C ALA A 86 7.873 3.878 2.552 1.00 0.00 C ATOM 1455 O ALA A 86 8.900 3.579 1.978 1.00 0.00 O ATOM 1456 CB ALA A 86 6.712 5.981 1.836 1.00 0.00 C ATOM 0 H ALA A 86 4.821 4.793 2.754 1.00 0.00 H new ATOM 0 HA ALA A 86 6.763 4.097 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.628 6.349 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.850 6.373 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.672 6.312 2.874 1.00 0.00 H new ATOM 1462 N GLU A 87 7.730 3.680 3.837 1.00 0.00 N ATOM 1463 CA GLU A 87 8.871 3.080 4.574 1.00 0.00 C ATOM 1464 C GLU A 87 9.044 1.667 4.035 1.00 0.00 C ATOM 1465 O GLU A 87 10.119 1.266 3.658 1.00 0.00 O ATOM 1466 CB GLU A 87 8.447 3.059 6.046 1.00 0.00 C ATOM 1467 CG GLU A 87 8.265 4.494 6.543 1.00 0.00 C ATOM 1468 CD GLU A 87 7.908 4.486 8.032 1.00 0.00 C ATOM 1469 OE1 GLU A 87 7.645 3.415 8.555 1.00 0.00 O ATOM 1470 OE2 GLU A 87 7.903 5.552 8.625 1.00 0.00 O ATOM 0 H GLU A 87 6.901 3.900 4.389 1.00 0.00 H new ATOM 0 HA GLU A 87 9.810 3.622 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.517 2.502 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.200 2.548 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.181 5.063 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.478 4.989 5.974 1.00 0.00 H new ATOM 1477 N ILE A 88 7.998 0.888 4.082 1.00 0.00 N ATOM 1478 CA ILE A 88 8.161 -0.538 3.650 1.00 0.00 C ATOM 1479 C ILE A 88 8.818 -0.580 2.261 1.00 0.00 C ATOM 1480 O ILE A 88 9.846 -1.210 2.100 1.00 0.00 O ATOM 1481 CB ILE A 88 6.765 -1.141 3.614 1.00 0.00 C ATOM 1482 CG1 ILE A 88 6.183 -1.139 5.029 1.00 0.00 C ATOM 1483 CG2 ILE A 88 6.868 -2.583 3.109 1.00 0.00 C ATOM 1484 CD1 ILE A 88 4.726 -0.685 4.981 1.00 0.00 C ATOM 0 H ILE A 88 7.064 1.160 4.390 1.00 0.00 H new ATOM 0 HA ILE A 88 8.800 -1.100 4.331 1.00 0.00 H new ATOM 0 HB ILE A 88 6.120 -0.561 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.250 -2.137 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.761 -0.474 5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.874 -3.029 3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.300 -2.588 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.503 -3.159 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.312 -0.684 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.672 0.321 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.153 -1.368 4.354 1.00 0.00 H new ATOM 1496 N ARG A 89 8.293 0.089 1.258 1.00 0.00 N ATOM 1497 CA ARG A 89 8.990 0.054 -0.070 1.00 0.00 C ATOM 1498 C ARG A 89 10.428 0.539 0.151 1.00 0.00 C ATOM 1499 O ARG A 89 11.388 -0.020 -0.340 1.00 0.00 O ATOM 1500 CB ARG A 89 8.210 1.050 -0.935 1.00 0.00 C ATOM 1501 CG ARG A 89 8.790 1.089 -2.351 1.00 0.00 C ATOM 1502 CD ARG A 89 9.042 2.544 -2.757 1.00 0.00 C ATOM 1503 NE ARG A 89 10.391 2.865 -2.216 1.00 0.00 N ATOM 1504 CZ ARG A 89 11.392 3.052 -3.031 1.00 0.00 C ATOM 1505 NH1 ARG A 89 12.075 2.031 -3.469 1.00 0.00 N ATOM 1506 NH2 ARG A 89 11.708 4.260 -3.410 1.00 0.00 N ATOM 0 H ARG A 89 7.437 0.642 1.297 1.00 0.00 H new ATOM 0 HA ARG A 89 9.026 -0.932 -0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.159 0.764 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.255 2.043 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.720 0.522 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.100 0.619 -3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.012 2.663 -3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.282 3.207 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 89 10.533 2.939 -1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.826 1.087 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.858 2.177 -4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.172 5.058 -3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.491 4.406 -4.047 1.00 0.00 H new ATOM 1520 N GLU A 90 10.545 1.582 0.915 1.00 0.00 N ATOM 1521 CA GLU A 90 11.886 2.150 1.229 1.00 0.00 C ATOM 1522 C GLU A 90 12.738 1.089 1.935 1.00 0.00 C ATOM 1523 O GLU A 90 13.942 1.044 1.777 1.00 0.00 O ATOM 1524 CB GLU A 90 11.640 3.355 2.140 1.00 0.00 C ATOM 1525 CG GLU A 90 12.969 4.063 2.416 1.00 0.00 C ATOM 1526 CD GLU A 90 12.753 5.205 3.415 1.00 0.00 C ATOM 1527 OE1 GLU A 90 11.632 5.369 3.871 1.00 0.00 O ATOM 1528 OE2 GLU A 90 13.714 5.897 3.708 1.00 0.00 O ATOM 0 H GLU A 90 9.761 2.074 1.343 1.00 0.00 H new ATOM 0 HA GLU A 90 12.423 2.454 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.939 4.044 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.187 3.030 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.694 3.353 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.383 4.454 1.487 1.00 0.00 H new ATOM 1535 N GLN A 91 12.123 0.219 2.694 1.00 0.00 N ATOM 1536 CA GLN A 91 12.913 -0.849 3.375 1.00 0.00 C ATOM 1537 C GLN A 91 13.390 -1.864 2.340 1.00 0.00 C ATOM 1538 O GLN A 91 14.485 -2.385 2.416 1.00 0.00 O ATOM 1539 CB GLN A 91 11.969 -1.506 4.384 1.00 0.00 C ATOM 1540 CG GLN A 91 11.742 -0.562 5.569 1.00 0.00 C ATOM 1541 CD GLN A 91 11.208 -1.349 6.772 1.00 0.00 C ATOM 1542 OE1 GLN A 91 11.344 -0.914 7.899 1.00 0.00 O ATOM 1543 NE2 GLN A 91 10.596 -2.490 6.588 1.00 0.00 N ATOM 0 H GLN A 91 11.119 0.201 2.870 1.00 0.00 H new ATOM 0 HA GLN A 91 13.794 -0.448 3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.018 -1.741 3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.392 -2.448 4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 91 12.676 -0.066 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.034 0.219 5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.479 -2.860 5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.236 -3.010 7.388 1.00 0.00 H new ATOM 1552 N LYS A 92 12.568 -2.138 1.367 1.00 0.00 N ATOM 1553 CA LYS A 92 12.959 -3.110 0.311 1.00 0.00 C ATOM 1554 C LYS A 92 14.183 -2.591 -0.444 1.00 0.00 C ATOM 1555 O LYS A 92 15.061 -3.343 -0.809 1.00 0.00 O ATOM 1556 CB LYS A 92 11.748 -3.202 -0.618 1.00 0.00 C ATOM 1557 CG LYS A 92 11.967 -4.331 -1.631 1.00 0.00 C ATOM 1558 CD LYS A 92 10.779 -4.398 -2.594 1.00 0.00 C ATOM 1559 CE LYS A 92 10.902 -5.651 -3.465 1.00 0.00 C ATOM 1560 NZ LYS A 92 11.621 -5.202 -4.690 1.00 0.00 N ATOM 0 H LYS A 92 11.640 -1.729 1.258 1.00 0.00 H new ATOM 0 HA LYS A 92 13.225 -4.085 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.844 -3.389 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.602 -2.255 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.889 -4.160 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.080 -5.282 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.844 -4.421 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.754 -3.507 -3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.454 -6.437 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.921 -6.059 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.743 -6.008 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.069 -4.459 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.554 -4.826 -4.427 1.00 0.00 H new ATOM 1574 N ARG A 93 14.249 -1.309 -0.680 1.00 0.00 N ATOM 1575 CA ARG A 93 15.422 -0.747 -1.409 1.00 0.00 C ATOM 1576 C ARG A 93 16.705 -0.922 -0.591 1.00 0.00 C ATOM 1577 O ARG A 93 17.751 -1.241 -1.120 1.00 0.00 O ATOM 1578 CB ARG A 93 15.100 0.736 -1.591 1.00 0.00 C ATOM 1579 CG ARG A 93 16.199 1.399 -2.424 1.00 0.00 C ATOM 1580 CD ARG A 93 15.905 2.894 -2.554 1.00 0.00 C ATOM 1581 NE ARG A 93 16.954 3.413 -3.475 1.00 0.00 N ATOM 1582 CZ ARG A 93 17.605 4.501 -3.171 1.00 0.00 C ATOM 1583 NH1 ARG A 93 16.996 5.656 -3.199 1.00 0.00 N ATOM 1584 NH2 ARG A 93 18.865 4.435 -2.837 1.00 0.00 N ATOM 0 H ARG A 93 13.543 -0.628 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 93 15.590 -1.251 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 93 14.135 0.851 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.021 1.224 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 93 17.170 1.248 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 93 16.250 0.940 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.906 3.067 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 93 15.949 3.391 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 93 17.163 2.918 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.011 5.707 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.505 6.507 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 93 19.340 3.533 -2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 93 19.375 5.286 -2.599 1.00 0.00 H new ATOM 1598 N GLU A 94 16.638 -0.699 0.693 1.00 0.00 N ATOM 1599 CA GLU A 94 17.858 -0.833 1.544 1.00 0.00 C ATOM 1600 C GLU A 94 18.429 -2.253 1.478 1.00 0.00 C ATOM 1601 O GLU A 94 19.627 -2.447 1.522 1.00 0.00 O ATOM 1602 CB GLU A 94 17.381 -0.514 2.962 1.00 0.00 C ATOM 1603 CG GLU A 94 18.577 -0.513 3.917 1.00 0.00 C ATOM 1604 CD GLU A 94 19.496 0.664 3.585 1.00 0.00 C ATOM 1605 OE1 GLU A 94 19.014 1.622 3.003 1.00 0.00 O ATOM 1606 OE2 GLU A 94 20.668 0.586 3.918 1.00 0.00 O ATOM 0 H GLU A 94 15.790 -0.429 1.192 1.00 0.00 H new ATOM 0 HA GLU A 94 18.656 -0.169 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.887 0.457 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.646 -1.252 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.232 -0.439 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.125 -1.451 3.831 1.00 0.00 H new