USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 645 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 21 ASN :FLIP amide:sc= 1.07 F(o=0.44!,f=2.3) USER MOD Set 1.2: A 67 THR OG1 : rot 96:sc= 1.24 USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 46 THR OG1 : rot 103:sc= 0.0207 USER MOD Set 3.1: A 28 CYS SG : rot -133:sc= 0.939 USER MOD Set 3.2: A 31 HIS : no HD1:sc= -1.33! C(o=-0.39!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -153:sc= 1.22 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -79:sc= 0.25 USER MOD Single : A 22 ASN : amide:sc= -0.448 K(o=-0.45,f=-4.3!) USER MOD Single : A 23 ASN : amide:sc= -0.255 K(o=-0.25,f=-4.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0.877 K(o=0.88,f=-5.2!) USER MOD Single : A 43 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.15) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 150:sc= -2.02! USER MOD Single : A 52 SER OG : rot 35:sc= 0.127 USER MOD Single : A 55 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 59 THR OG1 : rot -79:sc= 0.608 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 1.04 (180deg=-0.705) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0.015) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 81 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-1.8e-05) USER MOD Single : A 82 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.017) USER MOD Single : A 83 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.00095) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.828 -24.925 -16.900 1.00 0.00 N ATOM 2 CA MET A 1 52.705 -24.006 -17.655 1.00 0.00 C ATOM 3 C MET A 1 53.276 -22.942 -16.726 1.00 0.00 C ATOM 4 O MET A 1 52.542 -22.329 -15.946 1.00 0.00 O ATOM 5 CB MET A 1 51.922 -23.336 -18.787 1.00 0.00 C ATOM 6 CG MET A 1 52.751 -22.369 -19.616 1.00 0.00 C ATOM 7 SD MET A 1 51.780 -21.520 -20.875 1.00 0.00 S ATOM 8 CE MET A 1 53.021 -20.444 -21.592 1.00 0.00 C ATOM 0 H1 MET A 1 51.444 -25.646 -17.544 1.00 0.00 H new ATOM 0 H2 MET A 1 52.377 -25.389 -16.148 1.00 0.00 H new ATOM 0 H3 MET A 1 51.045 -24.388 -16.476 1.00 0.00 H new ATOM 0 HA MET A 1 53.525 -24.583 -18.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.517 -24.107 -19.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 51.073 -22.801 -18.362 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.208 -21.631 -18.957 1.00 0.00 H new ATOM 0 HG3 MET A 1 53.564 -22.914 -20.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 52.572 -19.852 -22.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 53.414 -19.779 -20.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 53.833 -21.046 -22.000 1.00 0.00 H new ATOM 20 N ALA A 2 54.578 -22.718 -16.813 1.00 0.00 N ATOM 21 CA ALA A 2 55.235 -21.708 -16.002 1.00 0.00 C ATOM 22 C ALA A 2 54.998 -20.324 -16.593 1.00 0.00 C ATOM 23 O ALA A 2 55.770 -19.852 -17.429 1.00 0.00 O ATOM 24 CB ALA A 2 56.725 -21.994 -15.886 1.00 0.00 C ATOM 0 H ALA A 2 55.202 -23.225 -17.440 1.00 0.00 H new ATOM 0 HA ALA A 2 54.807 -21.737 -15.000 1.00 0.00 H new ATOM 0 HB1 ALA A 2 57.197 -21.225 -15.274 1.00 0.00 H new ATOM 0 HB2 ALA A 2 56.873 -22.969 -15.421 1.00 0.00 H new ATOM 0 HB3 ALA A 2 57.174 -21.994 -16.879 1.00 0.00 H new ATOM 30 N GLY A 3 53.899 -19.706 -16.192 1.00 0.00 N ATOM 31 CA GLY A 3 53.567 -18.382 -16.675 1.00 0.00 C ATOM 32 C GLY A 3 52.939 -17.531 -15.593 1.00 0.00 C ATOM 33 O GLY A 3 52.349 -16.489 -15.874 1.00 0.00 O ATOM 0 H GLY A 3 53.226 -20.101 -15.535 1.00 0.00 H new ATOM 0 HA2 GLY A 3 54.468 -17.893 -17.045 1.00 0.00 H new ATOM 0 HA3 GLY A 3 52.880 -18.464 -17.518 1.00 0.00 H new ATOM 37 N ASP A 4 53.070 -17.979 -14.354 1.00 0.00 N ATOM 38 CA ASP A 4 52.519 -17.262 -13.216 1.00 0.00 C ATOM 39 C ASP A 4 53.528 -16.228 -12.716 1.00 0.00 C ATOM 40 O ASP A 4 54.700 -16.279 -13.091 1.00 0.00 O ATOM 41 CB ASP A 4 52.106 -18.247 -12.107 1.00 0.00 C ATOM 42 CG ASP A 4 53.221 -19.171 -11.661 1.00 0.00 C ATOM 43 OD1 ASP A 4 53.644 -20.034 -12.466 1.00 0.00 O ATOM 44 OD2 ASP A 4 53.648 -19.072 -10.487 1.00 0.00 O ATOM 0 H ASP A 4 53.557 -18.842 -14.111 1.00 0.00 H new ATOM 0 HA ASP A 4 51.620 -16.729 -13.525 1.00 0.00 H new ATOM 0 HB2 ASP A 4 51.750 -17.681 -11.246 1.00 0.00 H new ATOM 0 HB3 ASP A 4 51.269 -18.848 -12.462 1.00 0.00 H new ATOM 49 N PRO A 5 53.082 -15.254 -11.898 1.00 0.00 N ATOM 50 CA PRO A 5 53.922 -14.134 -11.446 1.00 0.00 C ATOM 51 C PRO A 5 55.178 -14.563 -10.684 1.00 0.00 C ATOM 52 O PRO A 5 55.117 -14.953 -9.515 1.00 0.00 O ATOM 53 CB PRO A 5 52.996 -13.322 -10.529 1.00 0.00 C ATOM 54 CG PRO A 5 51.885 -14.247 -10.175 1.00 0.00 C ATOM 55 CD PRO A 5 51.716 -15.152 -11.358 1.00 0.00 C ATOM 0 HA PRO A 5 54.306 -13.577 -12.301 1.00 0.00 H new ATOM 0 HB2 PRO A 5 53.524 -12.982 -9.638 1.00 0.00 H new ATOM 0 HB3 PRO A 5 52.621 -12.433 -11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 5 52.122 -14.817 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 5 50.967 -13.696 -9.970 1.00 0.00 H new ATOM 0 HD2 PRO A 5 51.324 -16.126 -11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 5 51.024 -14.735 -12.089 1.00 0.00 H new ATOM 63 N LEU A 6 56.312 -14.505 -11.370 1.00 0.00 N ATOM 64 CA LEU A 6 57.613 -14.710 -10.750 1.00 0.00 C ATOM 65 C LEU A 6 58.483 -13.477 -10.975 1.00 0.00 C ATOM 66 O LEU A 6 58.696 -13.064 -12.117 1.00 0.00 O ATOM 67 CB LEU A 6 58.319 -15.955 -11.314 1.00 0.00 C ATOM 68 CG LEU A 6 57.984 -17.289 -10.630 1.00 0.00 C ATOM 69 CD1 LEU A 6 56.544 -17.692 -10.892 1.00 0.00 C ATOM 70 CD2 LEU A 6 58.936 -18.378 -11.101 1.00 0.00 C ATOM 0 H LEU A 6 56.355 -14.315 -12.371 1.00 0.00 H new ATOM 0 HA LEU A 6 57.459 -14.869 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 6 58.071 -16.040 -12.372 1.00 0.00 H new ATOM 0 HB3 LEU A 6 59.396 -15.797 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 6 58.105 -17.158 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 6 56.335 -18.640 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 6 55.875 -16.924 -10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 6 56.386 -17.802 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 6 58.687 -19.318 -10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 6 58.845 -18.499 -12.180 1.00 0.00 H new ATOM 0 HD23 LEU A 6 59.960 -18.099 -10.853 1.00 0.00 H new ATOM 82 N PRO A 7 58.969 -12.854 -9.891 1.00 0.00 N ATOM 83 CA PRO A 7 59.801 -11.655 -9.980 1.00 0.00 C ATOM 84 C PRO A 7 61.208 -11.954 -10.495 1.00 0.00 C ATOM 85 O PRO A 7 61.477 -11.822 -11.691 1.00 0.00 O ATOM 86 CB PRO A 7 59.856 -11.129 -8.534 1.00 0.00 C ATOM 87 CG PRO A 7 58.865 -11.943 -7.768 1.00 0.00 C ATOM 88 CD PRO A 7 58.732 -13.246 -8.500 1.00 0.00 C ATOM 0 HA PRO A 7 59.388 -10.936 -10.687 1.00 0.00 H new ATOM 0 HB2 PRO A 7 60.857 -11.237 -8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 7 59.606 -10.069 -8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 7 59.204 -12.105 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 7 57.905 -11.431 -7.709 1.00 0.00 H new ATOM 0 HD2 PRO A 7 59.460 -13.981 -8.156 1.00 0.00 H new ATOM 0 HD3 PRO A 7 57.745 -13.688 -8.366 1.00 0.00 H new ATOM 96 N LYS A 8 62.089 -12.377 -9.586 1.00 0.00 N ATOM 97 CA LYS A 8 63.483 -12.670 -9.909 1.00 0.00 C ATOM 98 C LYS A 8 64.247 -12.985 -8.622 1.00 0.00 C ATOM 99 O LYS A 8 64.200 -14.108 -8.120 1.00 0.00 O ATOM 100 CB LYS A 8 64.133 -11.474 -10.625 1.00 0.00 C ATOM 101 CG LYS A 8 65.521 -11.745 -11.185 1.00 0.00 C ATOM 102 CD LYS A 8 66.100 -10.492 -11.824 1.00 0.00 C ATOM 103 CE LYS A 8 67.475 -10.740 -12.421 1.00 0.00 C ATOM 104 NZ LYS A 8 68.047 -9.506 -13.023 1.00 0.00 N ATOM 0 H LYS A 8 61.854 -12.526 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 8 63.519 -13.532 -10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.482 -11.159 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 8 64.195 -10.640 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 8 66.179 -12.089 -10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 8 65.470 -12.545 -11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 8 65.425 -10.138 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 8 66.167 -9.702 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 8 68.146 -11.111 -11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 8 67.406 -11.517 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 68.985 -9.716 -13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 67.420 -9.166 -13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.137 -8.772 -12.291 1.00 0.00 H new ATOM 118 N TYR A 9 64.904 -11.963 -8.083 1.00 0.00 N ATOM 119 CA TYR A 9 65.653 -12.043 -6.835 1.00 0.00 C ATOM 120 C TYR A 9 66.279 -10.677 -6.600 1.00 0.00 C ATOM 121 O TYR A 9 66.540 -9.961 -7.566 1.00 0.00 O ATOM 122 CB TYR A 9 66.733 -13.134 -6.899 1.00 0.00 C ATOM 123 CG TYR A 9 67.340 -13.483 -5.554 1.00 0.00 C ATOM 124 CD1 TYR A 9 66.582 -14.107 -4.570 1.00 0.00 C ATOM 125 CD2 TYR A 9 68.665 -13.185 -5.263 1.00 0.00 C ATOM 126 CE1 TYR A 9 67.128 -14.422 -3.340 1.00 0.00 C ATOM 127 CE2 TYR A 9 69.217 -13.497 -4.034 1.00 0.00 C ATOM 128 CZ TYR A 9 68.445 -14.115 -3.078 1.00 0.00 C ATOM 129 OH TYR A 9 68.988 -14.422 -1.850 1.00 0.00 O ATOM 0 H TYR A 9 64.931 -11.037 -8.511 1.00 0.00 H new ATOM 0 HA TYR A 9 64.989 -12.312 -6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 9 66.300 -14.034 -7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 9 67.527 -12.806 -7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 9 65.549 -14.350 -4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 9 69.276 -12.701 -6.011 1.00 0.00 H new ATOM 0 HE1 TYR A 9 66.524 -14.907 -2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 9 70.249 -13.257 -3.826 1.00 0.00 H new ATOM 0 HH TYR A 9 69.718 -13.800 -1.650 1.00 0.00 H new ATOM 139 N TRP A 10 66.504 -10.316 -5.338 1.00 0.00 N ATOM 140 CA TRP A 10 66.943 -8.964 -4.981 1.00 0.00 C ATOM 141 C TRP A 10 65.872 -7.943 -5.363 1.00 0.00 C ATOM 142 O TRP A 10 65.916 -7.359 -6.444 1.00 0.00 O ATOM 143 CB TRP A 10 68.269 -8.584 -5.658 1.00 0.00 C ATOM 144 CG TRP A 10 69.443 -9.428 -5.260 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.031 -9.492 -4.030 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.194 -10.305 -6.110 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.090 -10.366 -4.062 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.214 -10.874 -5.327 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.103 -10.663 -7.458 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.131 -11.787 -5.845 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.013 -11.569 -7.971 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.016 -12.121 -7.166 1.00 0.00 C ATOM 0 H TRP A 10 66.390 -10.942 -4.541 1.00 0.00 H new ATOM 0 HA TRP A 10 67.102 -8.956 -3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.141 -8.651 -6.738 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.493 -7.543 -5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 10 69.711 -8.937 -3.160 1.00 0.00 H new ATOM 0 HE1 TRP A 10 71.688 -10.599 -3.270 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.335 -10.239 -8.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 72.905 -12.215 -5.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 70.949 -11.855 -9.010 1.00 0.00 H new ATOM 0 HH2 TRP A 10 72.713 -12.825 -7.597 1.00 0.00 H new ATOM 163 N SER A 11 64.906 -7.734 -4.476 1.00 0.00 N ATOM 164 CA SER A 11 63.794 -6.831 -4.757 1.00 0.00 C ATOM 165 C SER A 11 64.216 -5.366 -4.633 1.00 0.00 C ATOM 166 O SER A 11 63.452 -4.462 -4.969 1.00 0.00 O ATOM 167 CB SER A 11 62.632 -7.123 -3.811 1.00 0.00 C ATOM 168 OG SER A 11 62.242 -8.485 -3.891 1.00 0.00 O ATOM 0 H SER A 11 64.869 -8.176 -3.558 1.00 0.00 H new ATOM 0 HA SER A 11 63.476 -7.001 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 11 62.922 -6.883 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 11 61.786 -6.483 -4.060 1.00 0.00 H new ATOM 0 HG SER A 11 61.497 -8.649 -3.275 1.00 0.00 H new ATOM 174 N TYR A 12 65.428 -5.136 -4.141 1.00 0.00 N ATOM 175 CA TYR A 12 65.959 -3.782 -4.045 1.00 0.00 C ATOM 176 C TYR A 12 66.840 -3.476 -5.250 1.00 0.00 C ATOM 177 O TYR A 12 67.947 -4.004 -5.368 1.00 0.00 O ATOM 178 CB TYR A 12 66.761 -3.598 -2.754 1.00 0.00 C ATOM 179 CG TYR A 12 65.930 -3.690 -1.494 1.00 0.00 C ATOM 180 CD1 TYR A 12 65.260 -2.580 -1.001 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.820 -4.885 -0.797 1.00 0.00 C ATOM 182 CE1 TYR A 12 64.503 -2.659 0.151 1.00 0.00 C ATOM 183 CE2 TYR A 12 65.065 -4.974 0.357 1.00 0.00 C ATOM 184 CZ TYR A 12 64.409 -3.858 0.827 1.00 0.00 C ATOM 185 OH TYR A 12 63.653 -3.936 1.972 1.00 0.00 O ATOM 0 H TYR A 12 66.058 -5.864 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 12 65.118 -3.089 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 12 67.546 -4.354 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 12 67.255 -2.627 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 12 65.332 -1.639 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 12 66.334 -5.761 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 12 63.987 -1.786 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.990 -5.912 0.887 1.00 0.00 H new ATOM 0 HH TYR A 12 64.162 -3.570 2.725 1.00 0.00 H new ATOM 195 N PRO A 13 66.352 -2.636 -6.169 1.00 0.00 N ATOM 196 CA PRO A 13 67.090 -2.263 -7.376 1.00 0.00 C ATOM 197 C PRO A 13 68.281 -1.361 -7.067 1.00 0.00 C ATOM 198 O PRO A 13 68.258 -0.586 -6.108 1.00 0.00 O ATOM 199 CB PRO A 13 66.059 -1.504 -8.224 1.00 0.00 C ATOM 200 CG PRO A 13 64.740 -1.738 -7.564 1.00 0.00 C ATOM 201 CD PRO A 13 65.042 -1.984 -6.115 1.00 0.00 C ATOM 0 HA PRO A 13 67.506 -3.137 -7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.293 -0.440 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 13 66.053 -1.869 -9.251 1.00 0.00 H new ATOM 0 HG2 PRO A 13 64.084 -0.876 -7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.228 -2.592 -8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.074 -1.056 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.291 -2.620 -5.647 1.00 0.00 H new ATOM 209 N VAL A 14 69.320 -1.472 -7.883 1.00 0.00 N ATOM 210 CA VAL A 14 70.501 -0.636 -7.733 1.00 0.00 C ATOM 211 C VAL A 14 70.152 0.818 -8.026 1.00 0.00 C ATOM 212 O VAL A 14 69.801 1.166 -9.156 1.00 0.00 O ATOM 213 CB VAL A 14 71.644 -1.095 -8.667 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.855 -0.186 -8.524 1.00 0.00 C ATOM 215 CG2 VAL A 14 72.025 -2.537 -8.373 1.00 0.00 C ATOM 0 H VAL A 14 69.368 -2.135 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 14 70.846 -0.731 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 14 71.289 -1.033 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.647 -0.528 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.576 0.835 -8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 14 73.211 -0.213 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.831 -2.844 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.358 -2.622 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.160 -3.181 -8.530 1.00 0.00 H new ATOM 225 N GLY A 15 70.234 1.656 -7.006 1.00 0.00 N ATOM 226 CA GLY A 15 69.864 3.047 -7.160 1.00 0.00 C ATOM 227 C GLY A 15 68.715 3.432 -6.253 1.00 0.00 C ATOM 228 O GLY A 15 68.346 4.603 -6.165 1.00 0.00 O ATOM 0 H GLY A 15 70.551 1.398 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.726 3.678 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.586 3.236 -8.197 1.00 0.00 H new ATOM 232 N LEU A 16 68.143 2.448 -5.578 1.00 0.00 N ATOM 233 CA LEU A 16 67.042 2.703 -4.664 1.00 0.00 C ATOM 234 C LEU A 16 67.569 3.130 -3.303 1.00 0.00 C ATOM 235 O LEU A 16 68.415 2.453 -2.713 1.00 0.00 O ATOM 236 CB LEU A 16 66.164 1.458 -4.518 1.00 0.00 C ATOM 237 CG LEU A 16 64.963 1.613 -3.580 1.00 0.00 C ATOM 238 CD1 LEU A 16 63.997 2.658 -4.117 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.256 0.279 -3.392 1.00 0.00 C ATOM 0 H LEU A 16 68.422 1.469 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 16 66.437 3.511 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 16 65.799 1.172 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 16 66.783 0.637 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 16 65.327 1.949 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.150 2.754 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.508 3.618 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.640 2.352 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.406 0.409 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 16 63.905 -0.086 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 16 64.950 -0.443 -2.961 1.00 0.00 H new ATOM 251 N ALA A 17 67.094 4.271 -2.833 1.00 0.00 N ATOM 252 CA ALA A 17 67.437 4.758 -1.507 1.00 0.00 C ATOM 253 C ALA A 17 66.622 4.039 -0.436 1.00 0.00 C ATOM 254 O ALA A 17 65.396 3.917 -0.543 1.00 0.00 O ATOM 255 CB ALA A 17 67.216 6.261 -1.423 1.00 0.00 C ATOM 0 H ALA A 17 66.465 4.882 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 17 68.492 4.549 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.477 6.612 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.844 6.763 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.169 6.487 -1.625 1.00 0.00 H new ATOM 261 N VAL A 18 67.314 3.558 0.584 1.00 0.00 N ATOM 262 CA VAL A 18 66.690 2.832 1.680 1.00 0.00 C ATOM 263 C VAL A 18 67.210 3.353 3.018 1.00 0.00 C ATOM 264 O VAL A 18 68.259 3.993 3.074 1.00 0.00 O ATOM 265 CB VAL A 18 66.969 1.310 1.588 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.419 0.723 0.294 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.460 1.024 1.704 1.00 0.00 C ATOM 0 H VAL A 18 68.325 3.660 0.676 1.00 0.00 H new ATOM 0 HA VAL A 18 65.614 2.993 1.608 1.00 0.00 H new ATOM 0 HB VAL A 18 66.456 0.832 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.631 -0.346 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.341 0.881 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.891 1.214 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.631 -0.050 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.991 1.527 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.827 1.390 2.663 1.00 0.00 H new ATOM 277 N GLU A 19 66.475 3.095 4.088 1.00 0.00 N ATOM 278 CA GLU A 19 66.931 3.462 5.418 1.00 0.00 C ATOM 279 C GLU A 19 67.221 2.212 6.240 1.00 0.00 C ATOM 280 O GLU A 19 66.585 1.171 6.053 1.00 0.00 O ATOM 281 CB GLU A 19 65.902 4.347 6.133 1.00 0.00 C ATOM 282 CG GLU A 19 64.544 3.697 6.337 1.00 0.00 C ATOM 283 CD GLU A 19 63.622 4.551 7.183 1.00 0.00 C ATOM 284 OE1 GLU A 19 62.990 5.476 6.636 1.00 0.00 O ATOM 285 OE2 GLU A 19 63.535 4.307 8.406 1.00 0.00 O ATOM 0 H GLU A 19 65.565 2.635 4.062 1.00 0.00 H new ATOM 0 HA GLU A 19 67.851 4.037 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.302 4.635 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.769 5.264 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.080 3.516 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.676 2.726 6.814 1.00 0.00 H new ATOM 292 N ILE A 20 68.194 2.316 7.132 1.00 0.00 N ATOM 293 CA ILE A 20 68.568 1.202 7.993 1.00 0.00 C ATOM 294 C ILE A 20 67.628 1.136 9.192 1.00 0.00 C ATOM 295 O ILE A 20 67.337 2.158 9.817 1.00 0.00 O ATOM 296 CB ILE A 20 70.035 1.312 8.491 1.00 0.00 C ATOM 297 CG1 ILE A 20 71.029 1.258 7.320 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.349 0.202 9.485 1.00 0.00 C ATOM 299 CD1 ILE A 20 71.159 2.552 6.547 1.00 0.00 C ATOM 0 H ILE A 20 68.742 3.164 7.280 1.00 0.00 H new ATOM 0 HA ILE A 20 68.486 0.291 7.400 1.00 0.00 H new ATOM 0 HB ILE A 20 70.141 2.277 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 20 72.010 0.980 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.720 0.469 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.381 0.297 9.822 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.679 0.280 10.341 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.212 -0.767 9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.880 2.423 5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.190 2.824 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.500 3.342 7.216 1.00 0.00 H new ATOM 311 N ASN A 21 67.147 -0.061 9.503 1.00 0.00 N ATOM 312 CA ASN A 21 66.205 -0.243 10.606 1.00 0.00 C ATOM 313 C ASN A 21 66.916 -0.191 11.954 1.00 0.00 C ATOM 314 O ASN A 21 68.138 -0.323 12.033 1.00 0.00 O ATOM 315 CB ASN A 21 65.449 -1.570 10.475 1.00 0.00 C ATOM 316 CG ASN A 21 64.361 -1.547 9.414 1.00 0.00 C ATOM 317 OD1 ASN A 21 64.577 -0.803 8.341 1.00 0.00 O flip ATOM 318 ND2 ASN A 21 63.332 -2.206 9.558 1.00 0.00 N flip ATOM 0 H ASN A 21 67.391 -0.920 9.010 1.00 0.00 H new ATOM 0 HA ASN A 21 65.489 0.577 10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 21 66.160 -2.362 10.238 1.00 0.00 H new ATOM 0 HB3 ASN A 21 65.002 -1.821 11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 21 63.200 -2.768 10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 21 62.611 -2.190 8.837 1.00 0.00 H new ATOM 325 N ASN A 22 66.135 -0.028 13.019 1.00 0.00 N ATOM 326 CA ASN A 22 66.678 0.081 14.375 1.00 0.00 C ATOM 327 C ASN A 22 66.990 -1.301 14.952 1.00 0.00 C ATOM 328 O ASN A 22 67.026 -1.505 16.165 1.00 0.00 O ATOM 329 CB ASN A 22 65.685 0.834 15.273 1.00 0.00 C ATOM 330 CG ASN A 22 66.263 1.220 16.624 1.00 0.00 C ATOM 331 OD1 ASN A 22 67.466 1.447 16.761 1.00 0.00 O ATOM 332 ND2 ASN A 22 65.408 1.298 17.632 1.00 0.00 N ATOM 0 H ASN A 22 65.118 0.032 12.971 1.00 0.00 H new ATOM 0 HA ASN A 22 67.612 0.641 14.334 1.00 0.00 H new ATOM 0 HB2 ASN A 22 65.353 1.735 14.758 1.00 0.00 H new ATOM 0 HB3 ASN A 22 64.803 0.212 15.428 1.00 0.00 H new ATOM 0 HD21 ASN A 22 65.739 1.554 18.562 1.00 0.00 H new ATOM 0 HD22 ASN A 22 64.419 1.102 17.478 1.00 0.00 H new ATOM 339 N ASN A 23 67.258 -2.236 14.065 1.00 0.00 N ATOM 340 CA ASN A 23 67.608 -3.595 14.458 1.00 0.00 C ATOM 341 C ASN A 23 69.102 -3.832 14.278 1.00 0.00 C ATOM 342 O ASN A 23 69.630 -4.864 14.684 1.00 0.00 O ATOM 343 CB ASN A 23 66.806 -4.636 13.662 1.00 0.00 C ATOM 344 CG ASN A 23 66.862 -4.427 12.157 1.00 0.00 C ATOM 345 OD1 ASN A 23 67.795 -3.830 11.626 1.00 0.00 O ATOM 346 ND2 ASN A 23 65.859 -4.936 11.461 1.00 0.00 N ATOM 0 H ASN A 23 67.241 -2.083 13.057 1.00 0.00 H new ATOM 0 HA ASN A 23 67.354 -3.711 15.512 1.00 0.00 H new ATOM 0 HB2 ASN A 23 67.185 -5.631 13.897 1.00 0.00 H new ATOM 0 HB3 ASN A 23 65.766 -4.606 13.986 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.842 -4.839 10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.103 -5.425 11.940 1.00 0.00 H new ATOM 353 N ALA A 24 69.784 -2.856 13.686 1.00 0.00 N ATOM 354 CA ALA A 24 71.221 -2.949 13.459 1.00 0.00 C ATOM 355 C ALA A 24 72.003 -2.571 14.718 1.00 0.00 C ATOM 356 O ALA A 24 73.225 -2.425 14.680 1.00 0.00 O ATOM 357 CB ALA A 24 71.628 -2.062 12.291 1.00 0.00 C ATOM 0 H ALA A 24 69.362 -1.989 13.354 1.00 0.00 H new ATOM 0 HA ALA A 24 71.461 -3.984 13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 24 72.703 -2.141 12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 24 71.104 -2.383 11.391 1.00 0.00 H new ATOM 0 HB3 ALA A 24 71.369 -1.027 12.513 1.00 0.00 H new ATOM 363 N ARG A 25 71.282 -2.436 15.829 1.00 0.00 N ATOM 364 CA ARG A 25 71.872 -2.084 17.124 1.00 0.00 C ATOM 365 C ARG A 25 73.015 -3.031 17.492 1.00 0.00 C ATOM 366 O ARG A 25 74.061 -2.598 17.971 1.00 0.00 O ATOM 367 CB ARG A 25 70.787 -2.128 18.205 1.00 0.00 C ATOM 368 CG ARG A 25 71.280 -1.836 19.618 1.00 0.00 C ATOM 369 CD ARG A 25 71.390 -0.344 19.903 1.00 0.00 C ATOM 370 NE ARG A 25 72.462 0.310 19.155 1.00 0.00 N ATOM 371 CZ ARG A 25 73.622 0.683 19.698 1.00 0.00 C ATOM 372 NH1 ARG A 25 73.882 0.404 20.969 1.00 0.00 N ATOM 373 NH2 ARG A 25 74.516 1.341 18.971 1.00 0.00 N ATOM 0 H ARG A 25 70.271 -2.567 15.859 1.00 0.00 H new ATOM 0 HA ARG A 25 72.284 -1.077 17.053 1.00 0.00 H new ATOM 0 HB2 ARG A 25 70.010 -1.407 17.950 1.00 0.00 H new ATOM 0 HB3 ARG A 25 70.323 -3.114 18.194 1.00 0.00 H new ATOM 0 HG2 ARG A 25 70.599 -2.290 20.338 1.00 0.00 H new ATOM 0 HG3 ARG A 25 72.254 -2.303 19.763 1.00 0.00 H new ATOM 0 HD2 ARG A 25 70.442 0.136 19.660 1.00 0.00 H new ATOM 0 HD3 ARG A 25 71.558 -0.196 20.970 1.00 0.00 H new ATOM 0 HE ARG A 25 72.315 0.491 18.162 1.00 0.00 H new ATOM 0 HH11 ARG A 25 73.194 -0.096 21.532 1.00 0.00 H new ATOM 0 HH12 ARG A 25 74.769 0.690 21.383 1.00 0.00 H new ATOM 0 HH21 ARG A 25 74.317 1.562 17.995 1.00 0.00 H new ATOM 0 HH22 ARG A 25 75.402 1.625 19.388 1.00 0.00 H new ATOM 387 N TYR A 26 72.808 -4.323 17.261 1.00 0.00 N ATOM 388 CA TYR A 26 73.825 -5.327 17.555 1.00 0.00 C ATOM 389 C TYR A 26 74.460 -5.831 16.266 1.00 0.00 C ATOM 390 O TYR A 26 75.181 -6.827 16.258 1.00 0.00 O ATOM 391 CB TYR A 26 73.215 -6.494 18.337 1.00 0.00 C ATOM 392 CG TYR A 26 72.719 -6.106 19.711 1.00 0.00 C ATOM 393 CD1 TYR A 26 73.585 -6.088 20.796 1.00 0.00 C ATOM 394 CD2 TYR A 26 71.391 -5.750 19.926 1.00 0.00 C ATOM 395 CE1 TYR A 26 73.145 -5.729 22.053 1.00 0.00 C ATOM 396 CE2 TYR A 26 70.945 -5.383 21.182 1.00 0.00 C ATOM 397 CZ TYR A 26 71.828 -5.376 22.242 1.00 0.00 C ATOM 398 OH TYR A 26 71.393 -5.008 23.495 1.00 0.00 O ATOM 0 H TYR A 26 71.944 -4.700 16.871 1.00 0.00 H new ATOM 0 HA TYR A 26 74.599 -4.865 18.168 1.00 0.00 H new ATOM 0 HB2 TYR A 26 72.386 -6.911 17.765 1.00 0.00 H new ATOM 0 HB3 TYR A 26 73.961 -7.282 18.438 1.00 0.00 H new ATOM 0 HD1 TYR A 26 74.621 -6.360 20.653 1.00 0.00 H new ATOM 0 HD2 TYR A 26 70.697 -5.761 19.098 1.00 0.00 H new ATOM 0 HE1 TYR A 26 73.832 -5.725 22.887 1.00 0.00 H new ATOM 0 HE2 TYR A 26 69.913 -5.104 21.332 1.00 0.00 H new ATOM 0 HH TYR A 26 70.439 -4.788 23.458 1.00 0.00 H new ATOM 408 N GLY A 27 74.189 -5.129 15.176 1.00 0.00 N ATOM 409 CA GLY A 27 74.747 -5.507 13.896 1.00 0.00 C ATOM 410 C GLY A 27 75.908 -4.622 13.507 1.00 0.00 C ATOM 411 O GLY A 27 76.950 -5.108 13.069 1.00 0.00 O ATOM 0 H GLY A 27 73.591 -4.303 15.156 1.00 0.00 H new ATOM 0 HA2 GLY A 27 75.078 -6.545 13.936 1.00 0.00 H new ATOM 0 HA3 GLY A 27 73.973 -5.449 13.131 1.00 0.00 H new ATOM 415 N CYS A 28 75.732 -3.322 13.695 1.00 0.00 N ATOM 416 CA CYS A 28 76.751 -2.344 13.367 1.00 0.00 C ATOM 417 C CYS A 28 76.376 -1.009 13.991 1.00 0.00 C ATOM 418 O CYS A 28 75.459 -0.332 13.523 1.00 0.00 O ATOM 419 CB CYS A 28 76.898 -2.196 11.849 1.00 0.00 C ATOM 420 SG CYS A 28 78.202 -1.050 11.336 1.00 0.00 S ATOM 0 H CYS A 28 74.878 -2.919 14.079 1.00 0.00 H new ATOM 0 HA CYS A 28 77.709 -2.681 13.764 1.00 0.00 H new ATOM 0 HB2 CYS A 28 77.102 -3.176 11.418 1.00 0.00 H new ATOM 0 HB3 CYS A 28 75.948 -1.857 11.435 1.00 0.00 H new ATOM 0 HG CYS A 28 77.742 -0.252 10.419 1.00 0.00 H new ATOM 426 N PRO A 29 77.052 -0.633 15.078 1.00 0.00 N ATOM 427 CA PRO A 29 76.759 0.609 15.789 1.00 0.00 C ATOM 428 C PRO A 29 77.185 1.841 14.994 1.00 0.00 C ATOM 429 O PRO A 29 78.096 1.768 14.168 1.00 0.00 O ATOM 430 CB PRO A 29 77.569 0.473 17.077 1.00 0.00 C ATOM 431 CG PRO A 29 78.706 -0.420 16.716 1.00 0.00 C ATOM 432 CD PRO A 29 78.162 -1.382 15.699 1.00 0.00 C ATOM 0 HA PRO A 29 75.692 0.749 15.963 1.00 0.00 H new ATOM 0 HB2 PRO A 29 77.923 1.443 17.427 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.968 0.045 17.879 1.00 0.00 H new ATOM 0 HG2 PRO A 29 79.539 0.152 16.307 1.00 0.00 H new ATOM 0 HG3 PRO A 29 79.082 -0.948 17.592 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.918 -1.661 14.965 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.814 -2.304 16.164 1.00 0.00 H new ATOM 440 N HIS A 30 76.505 2.962 15.243 1.00 0.00 N ATOM 441 CA HIS A 30 76.740 4.215 14.512 1.00 0.00 C ATOM 442 C HIS A 30 76.337 4.061 13.056 1.00 0.00 C ATOM 443 O HIS A 30 76.826 4.771 12.182 1.00 0.00 O ATOM 444 CB HIS A 30 78.204 4.669 14.598 1.00 0.00 C ATOM 445 CG HIS A 30 78.624 5.148 15.951 1.00 0.00 C ATOM 446 ND1 HIS A 30 79.942 5.237 16.336 1.00 0.00 N ATOM 447 CD2 HIS A 30 77.897 5.584 17.003 1.00 0.00 C ATOM 448 CE1 HIS A 30 80.007 5.707 17.567 1.00 0.00 C ATOM 449 NE2 HIS A 30 78.778 5.927 17.996 1.00 0.00 N ATOM 0 H HIS A 30 75.777 3.030 15.954 1.00 0.00 H new ATOM 0 HA HIS A 30 76.125 4.981 14.984 1.00 0.00 H new ATOM 0 HB2 HIS A 30 78.847 3.839 14.304 1.00 0.00 H new ATOM 0 HB3 HIS A 30 78.366 5.469 13.876 1.00 0.00 H new ATOM 0 HD2 HIS A 30 76.820 5.650 17.053 1.00 0.00 H new ATOM 0 HE1 HIS A 30 80.913 5.882 18.129 1.00 0.00 H new ATOM 0 HE2 HIS A 30 78.526 6.292 18.914 1.00 0.00 H new ATOM 458 N HIS A 31 75.421 3.143 12.811 1.00 0.00 N ATOM 459 CA HIS A 31 74.989 2.844 11.455 1.00 0.00 C ATOM 460 C HIS A 31 73.479 2.648 11.407 1.00 0.00 C ATOM 461 O HIS A 31 72.931 2.185 10.408 1.00 0.00 O ATOM 462 CB HIS A 31 75.694 1.580 10.962 1.00 0.00 C ATOM 463 CG HIS A 31 76.308 1.728 9.611 1.00 0.00 C ATOM 464 ND1 HIS A 31 77.637 1.465 9.353 1.00 0.00 N ATOM 465 CD2 HIS A 31 75.770 2.114 8.436 1.00 0.00 C ATOM 466 CE1 HIS A 31 77.887 1.686 8.078 1.00 0.00 C ATOM 467 NE2 HIS A 31 76.770 2.080 7.497 1.00 0.00 N ATOM 0 H HIS A 31 74.960 2.590 13.533 1.00 0.00 H new ATOM 0 HA HIS A 31 75.249 3.682 10.808 1.00 0.00 H new ATOM 0 HB2 HIS A 31 76.470 1.304 11.676 1.00 0.00 H new ATOM 0 HB3 HIS A 31 74.977 0.760 10.938 1.00 0.00 H new ATOM 0 HD2 HIS A 31 74.742 2.398 8.266 1.00 0.00 H new ATOM 0 HE1 HIS A 31 78.844 1.565 7.592 1.00 0.00 H new ATOM 0 HE2 HIS A 31 76.667 2.320 6.511 1.00 0.00 H new ATOM 476 N VAL A 32 72.812 3.032 12.483 1.00 0.00 N ATOM 477 CA VAL A 32 71.384 2.796 12.628 1.00 0.00 C ATOM 478 C VAL A 32 70.582 4.063 12.335 1.00 0.00 C ATOM 479 O VAL A 32 70.958 5.155 12.766 1.00 0.00 O ATOM 480 CB VAL A 32 71.056 2.304 14.055 1.00 0.00 C ATOM 481 CG1 VAL A 32 69.577 1.990 14.201 1.00 0.00 C ATOM 482 CG2 VAL A 32 71.897 1.086 14.406 1.00 0.00 C ATOM 0 H VAL A 32 73.240 3.512 13.275 1.00 0.00 H new ATOM 0 HA VAL A 32 71.105 2.028 11.906 1.00 0.00 H new ATOM 0 HB VAL A 32 71.299 3.107 14.751 1.00 0.00 H new ATOM 0 HG11 VAL A 32 69.376 1.646 15.216 1.00 0.00 H new ATOM 0 HG12 VAL A 32 68.993 2.888 14.000 1.00 0.00 H new ATOM 0 HG13 VAL A 32 69.299 1.210 13.492 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.652 0.753 15.415 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.688 0.283 13.699 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.954 1.347 14.356 1.00 0.00 H new ATOM 492 N GLY A 33 69.496 3.912 11.583 1.00 0.00 N ATOM 493 CA GLY A 33 68.587 5.020 11.348 1.00 0.00 C ATOM 494 C GLY A 33 69.160 6.081 10.437 1.00 0.00 C ATOM 495 O GLY A 33 68.976 7.276 10.669 1.00 0.00 O ATOM 0 H GLY A 33 69.228 3.038 11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.664 4.637 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.325 5.474 12.303 1.00 0.00 H new ATOM 499 N ARG A 34 69.858 5.650 9.406 1.00 0.00 N ATOM 500 CA ARG A 34 70.400 6.576 8.422 1.00 0.00 C ATOM 501 C ARG A 34 69.893 6.222 7.031 1.00 0.00 C ATOM 502 O ARG A 34 69.229 5.199 6.848 1.00 0.00 O ATOM 503 CB ARG A 34 71.932 6.582 8.438 1.00 0.00 C ATOM 504 CG ARG A 34 72.524 6.998 9.773 1.00 0.00 C ATOM 505 CD ARG A 34 73.972 7.438 9.630 1.00 0.00 C ATOM 506 NE ARG A 34 74.791 6.447 8.937 1.00 0.00 N ATOM 507 CZ ARG A 34 76.090 6.265 9.164 1.00 0.00 C ATOM 508 NH1 ARG A 34 76.718 6.969 10.096 1.00 0.00 N ATOM 509 NH2 ARG A 34 76.760 5.374 8.455 1.00 0.00 N ATOM 0 H ARG A 34 70.065 4.668 9.225 1.00 0.00 H new ATOM 0 HA ARG A 34 70.059 7.577 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.294 5.586 8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.293 7.259 7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.935 7.813 10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.464 6.165 10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.010 8.381 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.391 7.624 10.619 1.00 0.00 H new ATOM 0 HE ARG A 34 74.340 5.859 8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 34 76.205 7.658 10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 34 77.714 6.822 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.282 4.829 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.755 5.231 8.625 1.00 0.00 H new ATOM 523 N LYS A 35 70.210 7.068 6.064 1.00 0.00 N ATOM 524 CA LYS A 35 69.769 6.871 4.696 1.00 0.00 C ATOM 525 C LYS A 35 70.923 6.395 3.828 1.00 0.00 C ATOM 526 O LYS A 35 72.031 6.933 3.898 1.00 0.00 O ATOM 527 CB LYS A 35 69.200 8.180 4.136 1.00 0.00 C ATOM 528 CG LYS A 35 68.803 8.107 2.671 1.00 0.00 C ATOM 529 CD LYS A 35 68.448 9.481 2.127 1.00 0.00 C ATOM 530 CE LYS A 35 68.222 9.445 0.623 1.00 0.00 C ATOM 531 NZ LYS A 35 67.990 10.801 0.060 1.00 0.00 N ATOM 0 H LYS A 35 70.776 7.904 6.205 1.00 0.00 H new ATOM 0 HA LYS A 35 68.990 6.109 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 35 68.328 8.466 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 35 69.941 8.969 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 69.623 7.684 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.951 7.436 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 35 67.549 9.848 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 35 69.249 10.183 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 35 69.088 8.995 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 35 67.365 8.809 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 67.841 10.730 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 67.149 11.222 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 68.818 11.401 0.249 1.00 0.00 H new ATOM 545 N GLY A 36 70.657 5.388 3.018 1.00 0.00 N ATOM 546 CA GLY A 36 71.651 4.887 2.099 1.00 0.00 C ATOM 547 C GLY A 36 71.045 4.554 0.756 1.00 0.00 C ATOM 548 O GLY A 36 69.830 4.630 0.586 1.00 0.00 O ATOM 0 H GLY A 36 69.760 4.904 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.437 5.631 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.120 3.997 2.518 1.00 0.00 H new ATOM 552 N LYS A 37 71.880 4.197 -0.204 1.00 0.00 N ATOM 553 CA LYS A 37 71.394 3.813 -1.521 1.00 0.00 C ATOM 554 C LYS A 37 72.004 2.483 -1.954 1.00 0.00 C ATOM 555 O LYS A 37 73.204 2.261 -1.777 1.00 0.00 O ATOM 556 CB LYS A 37 71.728 4.895 -2.548 1.00 0.00 C ATOM 557 CG LYS A 37 71.042 4.686 -3.886 1.00 0.00 C ATOM 558 CD LYS A 37 71.615 5.582 -4.968 1.00 0.00 C ATOM 559 CE LYS A 37 71.507 7.054 -4.611 1.00 0.00 C ATOM 560 NZ LYS A 37 72.167 7.913 -5.629 1.00 0.00 N ATOM 0 H LYS A 37 72.894 4.164 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 37 70.311 3.699 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.440 5.867 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.807 4.920 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 37 71.146 3.643 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 37 69.975 4.883 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 37 72.662 5.326 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 37 71.090 5.398 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 37 70.457 7.332 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 37 71.963 7.227 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 72.074 8.912 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 73.175 7.664 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 71.715 7.765 -6.554 1.00 0.00 H new ATOM 574 N ILE A 38 71.170 1.603 -2.502 1.00 0.00 N ATOM 575 CA ILE A 38 71.629 0.326 -3.043 1.00 0.00 C ATOM 576 C ILE A 38 72.591 0.569 -4.198 1.00 0.00 C ATOM 577 O ILE A 38 72.240 1.246 -5.164 1.00 0.00 O ATOM 578 CB ILE A 38 70.447 -0.531 -3.559 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.390 -0.723 -2.467 1.00 0.00 C ATOM 580 CG2 ILE A 38 70.944 -1.882 -4.059 1.00 0.00 C ATOM 581 CD1 ILE A 38 69.902 -1.452 -1.247 1.00 0.00 C ATOM 0 H ILE A 38 70.164 1.753 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 38 72.128 -0.211 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 38 69.984 0.000 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 38 69.012 0.253 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 38 68.547 -1.276 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.099 -2.470 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.652 -1.730 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.436 -2.413 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 38 69.098 -1.550 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 38 70.253 -2.443 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 38 70.725 -0.890 -0.806 1.00 0.00 H new ATOM 593 N ILE A 39 73.800 0.030 -4.105 1.00 0.00 N ATOM 594 CA ILE A 39 74.791 0.251 -5.151 1.00 0.00 C ATOM 595 C ILE A 39 75.202 -1.045 -5.831 1.00 0.00 C ATOM 596 O ILE A 39 75.748 -1.021 -6.934 1.00 0.00 O ATOM 597 CB ILE A 39 76.050 0.980 -4.629 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.557 0.342 -3.334 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.752 2.457 -4.424 1.00 0.00 C ATOM 600 CD1 ILE A 39 77.878 0.903 -2.850 1.00 0.00 C ATOM 0 H ILE A 39 74.115 -0.554 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 39 74.303 0.893 -5.884 1.00 0.00 H new ATOM 0 HB ILE A 39 76.838 0.884 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 39 75.807 0.480 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.664 -0.732 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.646 2.961 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.449 2.902 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.948 2.568 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.171 0.401 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.642 0.741 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.773 1.972 -2.663 1.00 0.00 H new ATOM 612 N GLU A 40 74.931 -2.176 -5.193 1.00 0.00 N ATOM 613 CA GLU A 40 75.273 -3.463 -5.777 1.00 0.00 C ATOM 614 C GLU A 40 74.493 -4.584 -5.103 1.00 0.00 C ATOM 615 O GLU A 40 74.012 -4.432 -3.977 1.00 0.00 O ATOM 616 CB GLU A 40 76.782 -3.719 -5.663 1.00 0.00 C ATOM 617 CG GLU A 40 77.261 -4.934 -6.441 1.00 0.00 C ATOM 618 CD GLU A 40 76.829 -4.902 -7.893 1.00 0.00 C ATOM 619 OE1 GLU A 40 77.551 -4.308 -8.719 1.00 0.00 O ATOM 620 OE2 GLU A 40 75.760 -5.470 -8.213 1.00 0.00 O ATOM 0 H GLU A 40 74.480 -2.228 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 40 75.002 -3.443 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.318 -2.838 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.040 -3.848 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.348 -4.988 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.875 -5.838 -5.970 1.00 0.00 H new ATOM 627 N HIS A 41 74.355 -5.698 -5.808 1.00 0.00 N ATOM 628 CA HIS A 41 73.717 -6.884 -5.263 1.00 0.00 C ATOM 629 C HIS A 41 74.774 -7.893 -4.856 1.00 0.00 C ATOM 630 O HIS A 41 75.672 -8.210 -5.635 1.00 0.00 O ATOM 631 CB HIS A 41 72.771 -7.520 -6.285 1.00 0.00 C ATOM 632 CG HIS A 41 71.581 -6.680 -6.618 1.00 0.00 C ATOM 633 ND1 HIS A 41 71.149 -6.462 -7.909 1.00 0.00 N ATOM 634 CD2 HIS A 41 70.712 -6.024 -5.818 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.066 -5.711 -7.886 1.00 0.00 C ATOM 636 NE2 HIS A 41 69.780 -5.433 -6.631 1.00 0.00 N ATOM 0 H HIS A 41 74.681 -5.803 -6.769 1.00 0.00 H new ATOM 0 HA HIS A 41 73.134 -6.587 -4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.326 -7.724 -7.201 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.428 -8.480 -5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.745 -5.975 -4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.508 -5.380 -8.749 1.00 0.00 H new ATOM 0 HE2 HIS A 41 68.992 -4.869 -6.315 1.00 0.00 H new ATOM 645 N LEU A 42 74.672 -8.388 -3.641 1.00 0.00 N ATOM 646 CA LEU A 42 75.610 -9.376 -3.145 1.00 0.00 C ATOM 647 C LEU A 42 74.964 -10.747 -3.162 1.00 0.00 C ATOM 648 O LEU A 42 73.743 -10.858 -3.196 1.00 0.00 O ATOM 649 CB LEU A 42 76.054 -9.034 -1.720 1.00 0.00 C ATOM 650 CG LEU A 42 76.839 -7.732 -1.570 1.00 0.00 C ATOM 651 CD1 LEU A 42 77.130 -7.461 -0.102 1.00 0.00 C ATOM 652 CD2 LEU A 42 78.133 -7.799 -2.367 1.00 0.00 C ATOM 0 H LEU A 42 73.946 -8.122 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 42 76.487 -9.376 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 42 75.169 -8.979 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.667 -9.853 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 42 76.236 -6.913 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.690 -6.531 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.191 -7.377 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.718 -8.281 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.681 -6.864 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.743 -8.625 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.903 -7.956 -3.421 1.00 0.00 H new ATOM 664 N HIS A 43 75.778 -11.784 -3.163 1.00 0.00 N ATOM 665 CA HIS A 43 75.267 -13.136 -3.038 1.00 0.00 C ATOM 666 C HIS A 43 75.853 -13.786 -1.791 1.00 0.00 C ATOM 667 O HIS A 43 76.836 -14.523 -1.848 1.00 0.00 O ATOM 668 CB HIS A 43 75.529 -13.972 -4.309 1.00 0.00 C ATOM 669 CG HIS A 43 76.957 -14.012 -4.780 1.00 0.00 C ATOM 670 ND1 HIS A 43 77.515 -13.041 -5.587 1.00 0.00 N ATOM 671 CD2 HIS A 43 77.932 -14.931 -4.579 1.00 0.00 C ATOM 672 CE1 HIS A 43 78.766 -13.362 -5.860 1.00 0.00 C ATOM 673 NE2 HIS A 43 79.044 -14.503 -5.262 1.00 0.00 N ATOM 0 H HIS A 43 76.792 -11.718 -3.249 1.00 0.00 H new ATOM 0 HA HIS A 43 74.183 -13.093 -2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 43 75.198 -14.994 -4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 43 74.911 -13.577 -5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.850 -15.833 -3.991 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.447 -12.787 -6.470 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.940 -14.989 -5.300 1.00 0.00 H new ATOM 682 N SER A 44 75.255 -13.468 -0.657 1.00 0.00 N ATOM 683 CA SER A 44 75.747 -13.932 0.622 1.00 0.00 C ATOM 684 C SER A 44 74.579 -14.286 1.533 1.00 0.00 C ATOM 685 O SER A 44 73.501 -13.703 1.437 1.00 0.00 O ATOM 686 CB SER A 44 76.642 -12.862 1.263 1.00 0.00 C ATOM 687 OG SER A 44 77.098 -13.262 2.545 1.00 0.00 O ATOM 0 H SER A 44 74.420 -12.885 -0.599 1.00 0.00 H new ATOM 0 HA SER A 44 76.346 -14.830 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.498 -12.667 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.088 -11.927 1.349 1.00 0.00 H new ATOM 0 HG SER A 44 77.666 -12.559 2.924 1.00 0.00 H new ATOM 693 N ALA A 45 74.806 -15.238 2.422 1.00 0.00 N ATOM 694 CA ALA A 45 73.756 -15.737 3.294 1.00 0.00 C ATOM 695 C ALA A 45 73.461 -14.733 4.394 1.00 0.00 C ATOM 696 O ALA A 45 72.354 -14.682 4.933 1.00 0.00 O ATOM 697 CB ALA A 45 74.159 -17.077 3.893 1.00 0.00 C ATOM 0 H ALA A 45 75.713 -15.683 2.559 1.00 0.00 H new ATOM 0 HA ALA A 45 72.851 -15.879 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.363 -17.439 4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 45 74.329 -17.797 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.074 -16.956 4.472 1.00 0.00 H new ATOM 703 N THR A 46 74.457 -13.927 4.716 1.00 0.00 N ATOM 704 CA THR A 46 74.310 -12.933 5.760 1.00 0.00 C ATOM 705 C THR A 46 73.839 -11.600 5.191 1.00 0.00 C ATOM 706 O THR A 46 72.947 -10.962 5.749 1.00 0.00 O ATOM 707 CB THR A 46 75.626 -12.737 6.538 1.00 0.00 C ATOM 708 OG1 THR A 46 76.734 -12.685 5.628 1.00 0.00 O ATOM 709 CG2 THR A 46 75.839 -13.862 7.536 1.00 0.00 C ATOM 0 H THR A 46 75.374 -13.942 4.270 1.00 0.00 H new ATOM 0 HA THR A 46 73.552 -13.303 6.451 1.00 0.00 H new ATOM 0 HB THR A 46 75.560 -11.796 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.024 -11.755 5.518 1.00 0.00 H new ATOM 0 HG21 THR A 46 76.774 -13.701 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 46 75.012 -13.880 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 46 75.884 -14.814 7.007 1.00 0.00 H new ATOM 717 N TYR A 47 74.421 -11.192 4.067 1.00 0.00 N ATOM 718 CA TYR A 47 74.125 -9.881 3.487 1.00 0.00 C ATOM 719 C TYR A 47 74.034 -9.975 1.967 1.00 0.00 C ATOM 720 O TYR A 47 75.002 -10.350 1.313 1.00 0.00 O ATOM 721 CB TYR A 47 75.215 -8.868 3.873 1.00 0.00 C ATOM 722 CG TYR A 47 75.491 -8.777 5.364 1.00 0.00 C ATOM 723 CD1 TYR A 47 74.491 -8.402 6.255 1.00 0.00 C ATOM 724 CD2 TYR A 47 76.750 -9.067 5.880 1.00 0.00 C ATOM 725 CE1 TYR A 47 74.735 -8.317 7.612 1.00 0.00 C ATOM 726 CE2 TYR A 47 77.003 -8.983 7.237 1.00 0.00 C ATOM 727 CZ TYR A 47 75.992 -8.608 8.098 1.00 0.00 C ATOM 728 OH TYR A 47 76.240 -8.523 9.451 1.00 0.00 O ATOM 0 H TYR A 47 75.097 -11.745 3.540 1.00 0.00 H new ATOM 0 HA TYR A 47 73.166 -9.545 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.139 -9.135 3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 47 74.923 -7.883 3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 47 73.505 -8.173 5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 47 77.543 -9.363 5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 47 73.946 -8.024 8.288 1.00 0.00 H new ATOM 0 HE2 TYR A 47 77.987 -9.210 7.621 1.00 0.00 H new ATOM 0 HH TYR A 47 77.174 -8.761 9.628 1.00 0.00 H new ATOM 738 N ASP A 48 72.878 -9.629 1.399 1.00 0.00 N ATOM 739 CA ASP A 48 72.689 -9.752 -0.050 1.00 0.00 C ATOM 740 C ASP A 48 72.691 -8.393 -0.741 1.00 0.00 C ATOM 741 O ASP A 48 72.441 -8.304 -1.945 1.00 0.00 O ATOM 742 CB ASP A 48 71.383 -10.486 -0.379 1.00 0.00 C ATOM 743 CG ASP A 48 71.577 -11.970 -0.651 1.00 0.00 C ATOM 744 OD1 ASP A 48 72.702 -12.379 -1.004 1.00 0.00 O ATOM 745 OD2 ASP A 48 70.592 -12.736 -0.517 1.00 0.00 O ATOM 0 H ASP A 48 72.071 -9.268 1.907 1.00 0.00 H new ATOM 0 HA ASP A 48 73.532 -10.333 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.687 -10.364 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.923 -10.021 -1.251 1.00 0.00 H new ATOM 750 N TYR A 49 72.973 -7.328 -0.001 1.00 0.00 N ATOM 751 CA TYR A 49 72.935 -5.992 -0.582 1.00 0.00 C ATOM 752 C TYR A 49 74.125 -5.153 -0.152 1.00 0.00 C ATOM 753 O TYR A 49 74.620 -5.274 0.969 1.00 0.00 O ATOM 754 CB TYR A 49 71.639 -5.272 -0.202 1.00 0.00 C ATOM 755 CG TYR A 49 70.395 -5.940 -0.735 1.00 0.00 C ATOM 756 CD1 TYR A 49 69.977 -5.726 -2.043 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.639 -6.783 0.066 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.839 -6.333 -2.532 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.504 -7.394 -0.419 1.00 0.00 C ATOM 760 CZ TYR A 49 68.106 -7.167 -1.717 1.00 0.00 C ATOM 761 OH TYR A 49 66.968 -7.772 -2.198 1.00 0.00 O ATOM 0 H TYR A 49 73.227 -7.361 0.986 1.00 0.00 H new ATOM 0 HA TYR A 49 72.978 -6.116 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.572 -5.213 0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.679 -4.249 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.551 -5.075 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.945 -6.963 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.524 -6.155 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.928 -8.049 0.217 1.00 0.00 H new ATOM 0 HH TYR A 49 66.837 -8.631 -1.744 1.00 0.00 H new ATOM 771 N ALA A 50 74.578 -4.306 -1.062 1.00 0.00 N ATOM 772 CA ALA A 50 75.629 -3.360 -0.775 1.00 0.00 C ATOM 773 C ALA A 50 75.055 -1.961 -0.876 1.00 0.00 C ATOM 774 O ALA A 50 74.653 -1.523 -1.955 1.00 0.00 O ATOM 775 CB ALA A 50 76.795 -3.542 -1.736 1.00 0.00 C ATOM 0 H ALA A 50 74.224 -4.260 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 50 76.012 -3.526 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.576 -2.819 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.194 -4.552 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.451 -3.386 -2.759 1.00 0.00 H new ATOM 781 N VAL A 51 74.966 -1.290 0.253 1.00 0.00 N ATOM 782 CA VAL A 51 74.377 0.031 0.314 1.00 0.00 C ATOM 783 C VAL A 51 75.459 1.069 0.583 1.00 0.00 C ATOM 784 O VAL A 51 76.515 0.747 1.118 1.00 0.00 O ATOM 785 CB VAL A 51 73.297 0.088 1.423 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.524 1.393 1.395 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.347 -1.092 1.300 1.00 0.00 C ATOM 0 H VAL A 51 75.298 -1.643 1.151 1.00 0.00 H new ATOM 0 HA VAL A 51 73.904 0.250 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 51 73.812 0.033 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.777 1.391 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.211 2.226 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.028 1.501 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.594 -1.037 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.857 -1.065 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.907 -2.022 1.398 1.00 0.00 H new ATOM 797 N SER A 52 75.217 2.295 0.169 1.00 0.00 N ATOM 798 CA SER A 52 76.112 3.395 0.478 1.00 0.00 C ATOM 799 C SER A 52 75.380 4.447 1.299 1.00 0.00 C ATOM 800 O SER A 52 74.400 5.033 0.838 1.00 0.00 O ATOM 801 CB SER A 52 76.655 4.008 -0.815 1.00 0.00 C ATOM 802 OG SER A 52 75.609 4.246 -1.747 1.00 0.00 O ATOM 0 H SER A 52 74.403 2.558 -0.386 1.00 0.00 H new ATOM 0 HA SER A 52 76.951 3.018 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 52 77.166 4.944 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.394 3.339 -1.256 1.00 0.00 H new ATOM 0 HG SER A 52 74.797 4.511 -1.267 1.00 0.00 H new ATOM 808 N ASP A 53 75.847 4.660 2.522 1.00 0.00 N ATOM 809 CA ASP A 53 75.273 5.671 3.405 1.00 0.00 C ATOM 810 C ASP A 53 75.472 7.055 2.805 1.00 0.00 C ATOM 811 O ASP A 53 76.467 7.298 2.119 1.00 0.00 O ATOM 812 CB ASP A 53 75.946 5.633 4.783 1.00 0.00 C ATOM 813 CG ASP A 53 75.670 4.372 5.578 1.00 0.00 C ATOM 814 OD1 ASP A 53 76.186 3.293 5.206 1.00 0.00 O ATOM 815 OD2 ASP A 53 74.975 4.462 6.614 1.00 0.00 O ATOM 0 H ASP A 53 76.627 4.143 2.929 1.00 0.00 H new ATOM 0 HA ASP A 53 74.210 5.459 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 53 77.023 5.737 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.611 6.494 5.362 1.00 0.00 H new ATOM 820 N GLU A 54 74.545 7.970 3.074 1.00 0.00 N ATOM 821 CA GLU A 54 74.681 9.345 2.598 1.00 0.00 C ATOM 822 C GLU A 54 75.896 10.016 3.242 1.00 0.00 C ATOM 823 O GLU A 54 76.402 11.023 2.751 1.00 0.00 O ATOM 824 CB GLU A 54 73.413 10.152 2.893 1.00 0.00 C ATOM 825 CG GLU A 54 73.099 10.280 4.373 1.00 0.00 C ATOM 826 CD GLU A 54 71.978 11.258 4.645 1.00 0.00 C ATOM 827 OE1 GLU A 54 72.245 12.477 4.677 1.00 0.00 O ATOM 828 OE2 GLU A 54 70.831 10.818 4.846 1.00 0.00 O ATOM 0 H GLU A 54 73.699 7.788 3.614 1.00 0.00 H new ATOM 0 HA GLU A 54 74.827 9.317 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.521 11.149 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.568 9.680 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 54 72.827 9.302 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.995 10.602 4.905 1.00 0.00 H new ATOM 835 N THR A 55 76.368 9.431 4.335 1.00 0.00 N ATOM 836 CA THR A 55 77.518 9.946 5.054 1.00 0.00 C ATOM 837 C THR A 55 78.828 9.513 4.390 1.00 0.00 C ATOM 838 O THR A 55 79.897 10.041 4.704 1.00 0.00 O ATOM 839 CB THR A 55 77.495 9.466 6.515 1.00 0.00 C ATOM 840 OG1 THR A 55 77.196 8.066 6.553 1.00 0.00 O ATOM 841 CG2 THR A 55 76.458 10.230 7.325 1.00 0.00 C ATOM 0 H THR A 55 75.964 8.589 4.744 1.00 0.00 H new ATOM 0 HA THR A 55 77.463 11.034 5.030 1.00 0.00 H new ATOM 0 HB THR A 55 78.476 9.649 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 55 78.027 7.552 6.478 1.00 0.00 H new ATOM 0 HG21 THR A 55 76.463 9.871 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 55 76.697 11.293 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 55 75.470 10.074 6.891 1.00 0.00 H new ATOM 849 N GLY A 56 78.739 8.561 3.467 1.00 0.00 N ATOM 850 CA GLY A 56 79.923 8.085 2.778 1.00 0.00 C ATOM 851 C GLY A 56 80.361 6.719 3.262 1.00 0.00 C ATOM 852 O GLY A 56 81.378 6.186 2.813 1.00 0.00 O ATOM 0 H GLY A 56 77.868 8.111 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.724 8.042 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.736 8.797 2.923 1.00 0.00 H new ATOM 856 N ASP A 57 79.600 6.153 4.187 1.00 0.00 N ATOM 857 CA ASP A 57 79.893 4.823 4.706 1.00 0.00 C ATOM 858 C ASP A 57 79.292 3.764 3.792 1.00 0.00 C ATOM 859 O ASP A 57 78.531 4.083 2.880 1.00 0.00 O ATOM 860 CB ASP A 57 79.333 4.651 6.122 1.00 0.00 C ATOM 861 CG ASP A 57 79.884 5.660 7.107 1.00 0.00 C ATOM 862 OD1 ASP A 57 79.389 6.804 7.127 1.00 0.00 O ATOM 863 OD2 ASP A 57 80.791 5.306 7.888 1.00 0.00 O ATOM 0 H ASP A 57 78.775 6.593 4.594 1.00 0.00 H new ATOM 0 HA ASP A 57 80.976 4.705 4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 57 78.247 4.740 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.560 3.645 6.476 1.00 0.00 H new ATOM 868 N ILE A 58 79.629 2.509 4.034 1.00 0.00 N ATOM 869 CA ILE A 58 79.087 1.416 3.251 1.00 0.00 C ATOM 870 C ILE A 58 78.282 0.472 4.138 1.00 0.00 C ATOM 871 O ILE A 58 78.763 -0.005 5.169 1.00 0.00 O ATOM 872 CB ILE A 58 80.192 0.628 2.516 1.00 0.00 C ATOM 873 CG1 ILE A 58 81.063 1.581 1.689 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.572 -0.439 1.621 1.00 0.00 C ATOM 875 CD1 ILE A 58 82.193 0.894 0.955 1.00 0.00 C ATOM 0 H ILE A 58 80.277 2.223 4.768 1.00 0.00 H new ATOM 0 HA ILE A 58 78.432 1.854 2.498 1.00 0.00 H new ATOM 0 HB ILE A 58 80.823 0.136 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 58 80.433 2.098 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 58 81.480 2.342 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.362 -0.988 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 58 78.987 -1.129 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.923 0.036 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 58 82.764 1.633 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.847 0.400 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 58 81.784 0.153 0.269 1.00 0.00 H new ATOM 887 N THR A 59 77.053 0.229 3.725 1.00 0.00 N ATOM 888 CA THR A 59 76.123 -0.597 4.456 1.00 0.00 C ATOM 889 C THR A 59 75.938 -1.954 3.768 1.00 0.00 C ATOM 890 O THR A 59 75.113 -2.097 2.867 1.00 0.00 O ATOM 891 CB THR A 59 74.767 0.133 4.524 1.00 0.00 C ATOM 892 OG1 THR A 59 74.860 1.369 3.797 1.00 0.00 O ATOM 893 CG2 THR A 59 74.364 0.428 5.955 1.00 0.00 C ATOM 0 H THR A 59 76.671 0.608 2.858 1.00 0.00 H new ATOM 0 HA THR A 59 76.514 -0.774 5.458 1.00 0.00 H new ATOM 0 HB THR A 59 74.010 -0.516 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 59 75.312 2.040 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 59 73.403 0.943 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 59 74.280 -0.507 6.509 1.00 0.00 H new ATOM 0 HG23 THR A 59 75.119 1.060 6.423 1.00 0.00 H new ATOM 901 N TYR A 60 76.725 -2.946 4.163 1.00 0.00 N ATOM 902 CA TYR A 60 76.540 -4.303 3.651 1.00 0.00 C ATOM 903 C TYR A 60 75.532 -5.039 4.529 1.00 0.00 C ATOM 904 O TYR A 60 75.879 -5.493 5.618 1.00 0.00 O ATOM 905 CB TYR A 60 77.851 -5.101 3.644 1.00 0.00 C ATOM 906 CG TYR A 60 78.965 -4.523 2.795 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.923 -4.596 1.410 1.00 0.00 C ATOM 908 CD2 TYR A 60 80.075 -3.933 3.386 1.00 0.00 C ATOM 909 CE1 TYR A 60 79.953 -4.093 0.636 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.112 -3.435 2.621 1.00 0.00 C ATOM 911 CZ TYR A 60 81.046 -3.516 1.246 1.00 0.00 C ATOM 912 OH TYR A 60 82.084 -3.027 0.481 1.00 0.00 O ATOM 0 H TYR A 60 77.491 -2.842 4.829 1.00 0.00 H new ATOM 0 HA TYR A 60 76.183 -4.220 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 60 78.208 -5.188 4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 60 77.639 -6.111 3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.072 -5.053 0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 60 80.128 -3.862 4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 60 79.901 -4.152 -0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 60 81.970 -2.984 3.098 1.00 0.00 H new ATOM 0 HH TYR A 60 82.774 -2.653 1.067 1.00 0.00 H new ATOM 922 N PHE A 61 74.290 -5.143 4.073 1.00 0.00 N ATOM 923 CA PHE A 61 73.229 -5.747 4.876 1.00 0.00 C ATOM 924 C PHE A 61 72.300 -6.564 4.000 1.00 0.00 C ATOM 925 O PHE A 61 72.547 -6.717 2.804 1.00 0.00 O ATOM 926 CB PHE A 61 72.437 -4.676 5.633 1.00 0.00 C ATOM 927 CG PHE A 61 73.222 -4.028 6.739 1.00 0.00 C ATOM 928 CD1 PHE A 61 74.031 -2.941 6.478 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.158 -4.516 8.035 1.00 0.00 C ATOM 930 CE1 PHE A 61 74.769 -2.349 7.480 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.892 -3.925 9.047 1.00 0.00 C ATOM 932 CZ PHE A 61 74.700 -2.838 8.769 1.00 0.00 C ATOM 0 H PHE A 61 73.991 -4.818 3.153 1.00 0.00 H new ATOM 0 HA PHE A 61 73.695 -6.408 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 61 72.112 -3.909 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.537 -5.127 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 61 74.087 -2.548 5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 61 72.529 -5.366 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 61 75.401 -1.502 7.257 1.00 0.00 H new ATOM 0 HE2 PHE A 61 73.834 -4.312 10.054 1.00 0.00 H new ATOM 0 HZ PHE A 61 75.275 -2.374 9.557 1.00 0.00 H new ATOM 942 N LYS A 62 71.247 -7.102 4.590 1.00 0.00 N ATOM 943 CA LYS A 62 70.293 -7.896 3.842 1.00 0.00 C ATOM 944 C LYS A 62 68.937 -7.206 3.790 1.00 0.00 C ATOM 945 O LYS A 62 68.765 -6.112 4.329 1.00 0.00 O ATOM 946 CB LYS A 62 70.147 -9.292 4.452 1.00 0.00 C ATOM 947 CG LYS A 62 70.508 -10.396 3.479 1.00 0.00 C ATOM 948 CD LYS A 62 70.164 -11.772 4.014 1.00 0.00 C ATOM 949 CE LYS A 62 70.320 -12.825 2.930 1.00 0.00 C ATOM 950 NZ LYS A 62 69.383 -12.594 1.795 1.00 0.00 N ATOM 0 H LYS A 62 71.033 -7.003 5.582 1.00 0.00 H new ATOM 0 HA LYS A 62 70.672 -7.999 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 62 70.784 -9.367 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 62 69.120 -9.431 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 62 69.983 -10.233 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 62 71.575 -10.350 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.812 -12.012 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 62 69.140 -11.777 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 62 71.346 -12.818 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 62 70.140 -13.813 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 69.729 -13.095 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 68.439 -12.950 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 69.326 -11.575 1.594 1.00 0.00 H new ATOM 964 N GLU A 63 67.988 -7.861 3.130 1.00 0.00 N ATOM 965 CA GLU A 63 66.617 -7.347 2.984 1.00 0.00 C ATOM 966 C GLU A 63 66.030 -6.907 4.327 1.00 0.00 C ATOM 967 O GLU A 63 65.303 -5.918 4.404 1.00 0.00 O ATOM 968 CB GLU A 63 65.674 -8.412 2.392 1.00 0.00 C ATOM 969 CG GLU A 63 66.224 -9.192 1.207 1.00 0.00 C ATOM 970 CD GLU A 63 67.214 -10.257 1.626 1.00 0.00 C ATOM 971 OE1 GLU A 63 66.788 -11.292 2.176 1.00 0.00 O ATOM 972 OE2 GLU A 63 68.424 -10.049 1.439 1.00 0.00 O ATOM 0 H GLU A 63 68.140 -8.763 2.679 1.00 0.00 H new ATOM 0 HA GLU A 63 66.690 -6.492 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.413 -9.119 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.750 -7.923 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.399 -9.658 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.707 -8.503 0.515 1.00 0.00 H new ATOM 979 N HIS A 64 66.363 -7.647 5.377 1.00 0.00 N ATOM 980 CA HIS A 64 65.706 -7.506 6.671 1.00 0.00 C ATOM 981 C HIS A 64 66.140 -6.238 7.415 1.00 0.00 C ATOM 982 O HIS A 64 65.389 -5.714 8.238 1.00 0.00 O ATOM 983 CB HIS A 64 65.990 -8.750 7.522 1.00 0.00 C ATOM 984 CG HIS A 64 65.249 -8.782 8.824 1.00 0.00 C ATOM 985 ND1 HIS A 64 64.009 -9.369 8.969 1.00 0.00 N ATOM 986 CD2 HIS A 64 65.579 -8.302 10.043 1.00 0.00 C ATOM 987 CE1 HIS A 64 63.611 -9.243 10.220 1.00 0.00 C ATOM 988 NE2 HIS A 64 64.545 -8.598 10.893 1.00 0.00 N ATOM 0 H HIS A 64 67.093 -8.359 5.357 1.00 0.00 H new ATOM 0 HA HIS A 64 64.635 -7.412 6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.730 -9.638 6.946 1.00 0.00 H new ATOM 0 HB3 HIS A 64 67.060 -8.803 7.724 1.00 0.00 H new ATOM 0 HD2 HIS A 64 66.489 -7.781 10.300 1.00 0.00 H new ATOM 0 HE1 HIS A 64 62.678 -9.606 10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 64 64.504 -8.359 11.884 1.00 0.00 H new ATOM 997 N GLU A 65 67.337 -5.745 7.139 1.00 0.00 N ATOM 998 CA GLU A 65 67.852 -4.586 7.864 1.00 0.00 C ATOM 999 C GLU A 65 67.542 -3.293 7.119 1.00 0.00 C ATOM 1000 O GLU A 65 67.775 -2.193 7.632 1.00 0.00 O ATOM 1001 CB GLU A 65 69.365 -4.694 8.081 1.00 0.00 C ATOM 1002 CG GLU A 65 69.806 -5.870 8.946 1.00 0.00 C ATOM 1003 CD GLU A 65 69.645 -7.214 8.263 1.00 0.00 C ATOM 1004 OE1 GLU A 65 70.257 -7.421 7.195 1.00 0.00 O ATOM 1005 OE2 GLU A 65 68.907 -8.074 8.796 1.00 0.00 O ATOM 0 H GLU A 65 67.966 -6.120 6.429 1.00 0.00 H new ATOM 0 HA GLU A 65 67.356 -4.568 8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.852 -4.773 7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.719 -3.771 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 65 70.851 -5.735 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 65 69.228 -5.869 9.870 1.00 0.00 H new ATOM 1012 N LEU A 66 67.007 -3.424 5.917 1.00 0.00 N ATOM 1013 CA LEU A 66 66.794 -2.272 5.056 1.00 0.00 C ATOM 1014 C LEU A 66 65.311 -2.055 4.773 1.00 0.00 C ATOM 1015 O LEU A 66 64.536 -3.005 4.698 1.00 0.00 O ATOM 1016 CB LEU A 66 67.551 -2.461 3.741 1.00 0.00 C ATOM 1017 CG LEU A 66 69.056 -2.695 3.884 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.661 -3.049 2.538 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.740 -1.467 4.466 1.00 0.00 C ATOM 0 H LEU A 66 66.713 -4.314 5.515 1.00 0.00 H new ATOM 0 HA LEU A 66 67.171 -1.390 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 66 67.117 -3.307 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 66 67.394 -1.579 3.120 1.00 0.00 H new ATOM 0 HG LEU A 66 69.211 -3.528 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.732 -3.213 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.194 -3.957 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.492 -2.232 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.809 -1.656 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.578 -0.614 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.323 -1.250 5.450 1.00 0.00 H new ATOM 1031 N THR A 67 64.925 -0.798 4.637 1.00 0.00 N ATOM 1032 CA THR A 67 63.561 -0.447 4.269 1.00 0.00 C ATOM 1033 C THR A 67 63.567 0.675 3.236 1.00 0.00 C ATOM 1034 O THR A 67 64.154 1.730 3.464 1.00 0.00 O ATOM 1035 CB THR A 67 62.743 -0.017 5.502 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.674 -1.104 6.431 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.335 0.410 5.114 1.00 0.00 C ATOM 0 H THR A 67 65.541 0.003 4.777 1.00 0.00 H new ATOM 0 HA THR A 67 63.092 -1.332 3.839 1.00 0.00 H new ATOM 0 HB THR A 67 63.242 0.837 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 67 63.374 -1.000 7.109 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.786 0.707 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.387 1.252 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.822 -0.423 4.633 1.00 0.00 H new ATOM 1045 N PRO A 68 62.929 0.456 2.080 1.00 0.00 N ATOM 1046 CA PRO A 68 62.901 1.450 1.009 1.00 0.00 C ATOM 1047 C PRO A 68 62.041 2.655 1.363 1.00 0.00 C ATOM 1048 O PRO A 68 61.094 2.551 2.144 1.00 0.00 O ATOM 1049 CB PRO A 68 62.303 0.684 -0.174 1.00 0.00 C ATOM 1050 CG PRO A 68 61.495 -0.407 0.441 1.00 0.00 C ATOM 1051 CD PRO A 68 62.181 -0.767 1.731 1.00 0.00 C ATOM 0 HA PRO A 68 63.890 1.861 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.683 1.334 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.084 0.281 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.472 -0.077 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 68 61.438 -1.270 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.463 -1.032 2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.846 -1.622 1.606 1.00 0.00 H new ATOM 1059 N LEU A 69 62.377 3.801 0.785 1.00 0.00 N ATOM 1060 CA LEU A 69 61.638 5.032 1.032 1.00 0.00 C ATOM 1061 C LEU A 69 60.358 5.069 0.197 1.00 0.00 C ATOM 1062 O LEU A 69 60.094 6.032 -0.525 1.00 0.00 O ATOM 1063 CB LEU A 69 62.520 6.246 0.719 1.00 0.00 C ATOM 1064 CG LEU A 69 63.812 6.343 1.540 1.00 0.00 C ATOM 1065 CD1 LEU A 69 64.612 7.573 1.135 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.500 6.372 3.032 1.00 0.00 C ATOM 0 H LEU A 69 63.160 3.903 0.139 1.00 0.00 H new ATOM 0 HA LEU A 69 61.357 5.065 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 62.782 6.222 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 69 61.936 7.151 0.882 1.00 0.00 H new ATOM 0 HG LEU A 69 64.416 5.459 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.525 7.625 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 69 64.869 7.508 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.015 8.469 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.430 6.441 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 62.874 7.236 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.973 5.460 3.311 1.00 0.00 H new ATOM 1078 N LYS A 70 59.562 4.013 0.304 1.00 0.00 N ATOM 1079 CA LYS A 70 58.318 3.908 -0.441 1.00 0.00 C ATOM 1080 C LYS A 70 57.211 4.703 0.240 1.00 0.00 C ATOM 1081 O LYS A 70 56.479 4.179 1.080 1.00 0.00 O ATOM 1082 CB LYS A 70 57.895 2.442 -0.590 1.00 0.00 C ATOM 1083 CG LYS A 70 58.773 1.637 -1.536 1.00 0.00 C ATOM 1084 CD LYS A 70 58.424 0.155 -1.493 1.00 0.00 C ATOM 1085 CE LYS A 70 56.982 -0.110 -1.910 1.00 0.00 C ATOM 1086 NZ LYS A 70 56.781 0.063 -3.374 1.00 0.00 N ATOM 0 H LYS A 70 59.759 3.213 0.905 1.00 0.00 H new ATOM 0 HA LYS A 70 58.487 4.325 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 70 57.908 1.969 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 70 56.866 2.406 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 70 58.653 2.011 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 70 59.821 1.774 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 70 59.097 -0.394 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 70 58.584 -0.225 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 70 56.703 -1.124 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 70 56.319 0.567 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 55.787 -0.127 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 57.022 1.038 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 57.394 -0.601 -3.889 1.00 0.00 H new ATOM 1100 N GLY A 71 57.126 5.982 -0.088 1.00 0.00 N ATOM 1101 CA GLY A 71 56.032 6.794 0.394 1.00 0.00 C ATOM 1102 C GLY A 71 54.865 6.762 -0.568 1.00 0.00 C ATOM 1103 O GLY A 71 53.756 6.374 -0.203 1.00 0.00 O ATOM 0 H GLY A 71 57.796 6.472 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 71 55.711 6.434 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 71 56.369 7.822 0.527 1.00 0.00 H new ATOM 1107 N GLY A 72 55.122 7.166 -1.802 1.00 0.00 N ATOM 1108 CA GLY A 72 54.110 7.113 -2.835 1.00 0.00 C ATOM 1109 C GLY A 72 54.725 6.965 -4.211 1.00 0.00 C ATOM 1110 O GLY A 72 54.424 7.739 -5.122 1.00 0.00 O ATOM 0 H GLY A 72 56.023 7.533 -2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 72 53.438 6.276 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 72 53.507 8.020 -2.801 1.00 0.00 H new ATOM 1114 N LEU A 73 55.591 5.969 -4.365 1.00 0.00 N ATOM 1115 CA LEU A 73 56.290 5.755 -5.624 1.00 0.00 C ATOM 1116 C LEU A 73 55.430 4.945 -6.587 1.00 0.00 C ATOM 1117 O LEU A 73 55.601 3.731 -6.734 1.00 0.00 O ATOM 1118 CB LEU A 73 57.643 5.059 -5.406 1.00 0.00 C ATOM 1119 CG LEU A 73 58.769 5.941 -4.850 1.00 0.00 C ATOM 1120 CD1 LEU A 73 58.504 6.331 -3.404 1.00 0.00 C ATOM 1121 CD2 LEU A 73 60.105 5.224 -4.972 1.00 0.00 C ATOM 0 H LEU A 73 55.825 5.298 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 73 56.482 6.734 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 73 57.493 4.222 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 73 57.972 4.640 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 73 58.803 6.857 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 73 59.320 6.955 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 73 57.568 6.885 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.434 5.432 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.897 5.859 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.070 4.292 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.307 5.007 -6.021 1.00 0.00 H new ATOM 1133 N ALA A 74 54.483 5.627 -7.209 1.00 0.00 N ATOM 1134 CA ALA A 74 53.617 5.021 -8.208 1.00 0.00 C ATOM 1135 C ALA A 74 53.315 6.033 -9.306 1.00 0.00 C ATOM 1136 O ALA A 74 52.156 6.321 -9.612 1.00 0.00 O ATOM 1137 CB ALA A 74 52.333 4.516 -7.564 1.00 0.00 C ATOM 0 H ALA A 74 54.293 6.614 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 74 54.126 4.166 -8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 74 51.697 4.066 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 74 52.575 3.771 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 74 51.807 5.350 -7.098 1.00 0.00 H new ATOM 1143 N TYR A 75 54.372 6.573 -9.892 1.00 0.00 N ATOM 1144 CA TYR A 75 54.244 7.619 -10.894 1.00 0.00 C ATOM 1145 C TYR A 75 54.280 7.026 -12.296 1.00 0.00 C ATOM 1146 O TYR A 75 54.674 5.872 -12.477 1.00 0.00 O ATOM 1147 CB TYR A 75 55.379 8.638 -10.749 1.00 0.00 C ATOM 1148 CG TYR A 75 55.542 9.189 -9.348 1.00 0.00 C ATOM 1149 CD1 TYR A 75 54.669 10.146 -8.850 1.00 0.00 C ATOM 1150 CD2 TYR A 75 56.577 8.754 -8.527 1.00 0.00 C ATOM 1151 CE1 TYR A 75 54.819 10.654 -7.573 1.00 0.00 C ATOM 1152 CE2 TYR A 75 56.735 9.257 -7.250 1.00 0.00 C ATOM 1153 CZ TYR A 75 55.855 10.208 -6.778 1.00 0.00 C ATOM 1154 OH TYR A 75 56.016 10.716 -5.508 1.00 0.00 O ATOM 0 H TYR A 75 55.334 6.302 -9.689 1.00 0.00 H new ATOM 0 HA TYR A 75 53.287 8.117 -10.740 1.00 0.00 H new ATOM 0 HB2 TYR A 75 56.314 8.169 -11.054 1.00 0.00 H new ATOM 0 HB3 TYR A 75 55.199 9.466 -11.435 1.00 0.00 H new ATOM 0 HD1 TYR A 75 53.859 10.500 -9.470 1.00 0.00 H new ATOM 0 HD2 TYR A 75 57.269 8.010 -8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 75 54.129 11.396 -7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 75 57.543 8.907 -6.625 1.00 0.00 H new ATOM 0 HH TYR A 75 56.792 10.295 -5.083 1.00 0.00 H new ATOM 1164 N VAL A 76 53.851 7.827 -13.276 1.00 0.00 N ATOM 1165 CA VAL A 76 53.940 7.474 -14.700 1.00 0.00 C ATOM 1166 C VAL A 76 52.951 6.360 -15.081 1.00 0.00 C ATOM 1167 O VAL A 76 52.761 6.073 -16.263 1.00 0.00 O ATOM 1168 CB VAL A 76 55.387 7.054 -15.087 1.00 0.00 C ATOM 1169 CG1 VAL A 76 55.534 6.843 -16.588 1.00 0.00 C ATOM 1170 CG2 VAL A 76 56.397 8.086 -14.600 1.00 0.00 C ATOM 0 H VAL A 76 53.431 8.741 -13.106 1.00 0.00 H new ATOM 0 HA VAL A 76 53.671 8.369 -15.261 1.00 0.00 H new ATOM 0 HB VAL A 76 55.588 6.102 -14.596 1.00 0.00 H new ATOM 0 HG11 VAL A 76 56.559 6.551 -16.816 1.00 0.00 H new ATOM 0 HG12 VAL A 76 54.852 6.058 -16.914 1.00 0.00 H new ATOM 0 HG13 VAL A 76 55.296 7.769 -17.111 1.00 0.00 H new ATOM 0 HG21 VAL A 76 57.402 7.772 -14.881 1.00 0.00 H new ATOM 0 HG22 VAL A 76 56.178 9.052 -15.054 1.00 0.00 H new ATOM 0 HG23 VAL A 76 56.334 8.173 -13.515 1.00 0.00 H new ATOM 1180 N LEU A 77 52.289 5.779 -14.078 1.00 0.00 N ATOM 1181 CA LEU A 77 51.445 4.599 -14.273 1.00 0.00 C ATOM 1182 C LEU A 77 52.315 3.427 -14.707 1.00 0.00 C ATOM 1183 O LEU A 77 52.538 3.200 -15.896 1.00 0.00 O ATOM 1184 CB LEU A 77 50.326 4.853 -15.294 1.00 0.00 C ATOM 1185 CG LEU A 77 49.336 5.958 -14.918 1.00 0.00 C ATOM 1186 CD1 LEU A 77 48.336 6.183 -16.042 1.00 0.00 C ATOM 1187 CD2 LEU A 77 48.616 5.613 -13.622 1.00 0.00 C ATOM 0 H LEU A 77 52.322 6.111 -13.114 1.00 0.00 H new ATOM 0 HA LEU A 77 50.959 4.365 -13.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 50.781 5.106 -16.252 1.00 0.00 H new ATOM 0 HB3 LEU A 77 49.772 3.926 -15.439 1.00 0.00 H new ATOM 0 HG LEU A 77 49.894 6.882 -14.764 1.00 0.00 H new ATOM 0 HD11 LEU A 77 47.640 6.972 -15.757 1.00 0.00 H new ATOM 0 HD12 LEU A 77 48.867 6.477 -16.948 1.00 0.00 H new ATOM 0 HD13 LEU A 77 47.784 5.262 -16.228 1.00 0.00 H new ATOM 0 HD21 LEU A 77 47.916 6.410 -13.371 1.00 0.00 H new ATOM 0 HD22 LEU A 77 48.070 4.678 -13.747 1.00 0.00 H new ATOM 0 HD23 LEU A 77 49.345 5.504 -12.819 1.00 0.00 H new ATOM 1199 N GLU A 78 52.818 2.705 -13.717 1.00 0.00 N ATOM 1200 CA GLU A 78 53.826 1.675 -13.933 1.00 0.00 C ATOM 1201 C GLU A 78 53.318 0.568 -14.847 1.00 0.00 C ATOM 1202 O GLU A 78 54.022 0.152 -15.773 1.00 0.00 O ATOM 1203 CB GLU A 78 54.273 1.055 -12.600 1.00 0.00 C ATOM 1204 CG GLU A 78 54.260 2.016 -11.419 1.00 0.00 C ATOM 1205 CD GLU A 78 52.901 2.095 -10.749 1.00 0.00 C ATOM 1206 OE1 GLU A 78 52.045 2.877 -11.214 1.00 0.00 O ATOM 1207 OE2 GLU A 78 52.676 1.363 -9.766 1.00 0.00 O ATOM 0 H GLU A 78 52.540 2.816 -12.742 1.00 0.00 H new ATOM 0 HA GLU A 78 54.674 2.164 -14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 78 53.624 0.210 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 78 55.282 0.659 -12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 78 55.004 1.699 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 78 54.552 3.009 -11.760 1.00 0.00 H new ATOM 1214 N HIS A 79 52.097 0.099 -14.583 1.00 0.00 N ATOM 1215 CA HIS A 79 51.553 -1.077 -15.265 1.00 0.00 C ATOM 1216 C HIS A 79 52.454 -2.280 -14.998 1.00 0.00 C ATOM 1217 O HIS A 79 53.282 -2.252 -14.088 1.00 0.00 O ATOM 1218 CB HIS A 79 51.437 -0.849 -16.783 1.00 0.00 C ATOM 1219 CG HIS A 79 50.412 0.165 -17.192 1.00 0.00 C ATOM 1220 ND1 HIS A 79 49.075 -0.132 -17.321 1.00 0.00 N ATOM 1221 CD2 HIS A 79 50.540 1.467 -17.538 1.00 0.00 C ATOM 1222 CE1 HIS A 79 48.425 0.939 -17.734 1.00 0.00 C ATOM 1223 NE2 HIS A 79 49.290 1.926 -17.874 1.00 0.00 N ATOM 0 H HIS A 79 51.465 0.517 -13.900 1.00 0.00 H new ATOM 0 HA HIS A 79 50.552 -1.261 -14.875 1.00 0.00 H new ATOM 0 HB2 HIS A 79 52.409 -0.536 -17.164 1.00 0.00 H new ATOM 0 HB3 HIS A 79 51.198 -1.799 -17.261 1.00 0.00 H new ATOM 0 HD2 HIS A 79 51.456 2.039 -17.548 1.00 0.00 H new ATOM 0 HE1 HIS A 79 47.364 0.998 -17.925 1.00 0.00 H new ATOM 0 HE2 HIS A 79 49.067 2.873 -18.181 1.00 0.00 H new ATOM 1232 N HIS A 80 52.283 -3.339 -15.764 1.00 0.00 N ATOM 1233 CA HIS A 80 53.226 -4.444 -15.722 1.00 0.00 C ATOM 1234 C HIS A 80 54.089 -4.401 -16.977 1.00 0.00 C ATOM 1235 O HIS A 80 55.224 -4.884 -16.989 1.00 0.00 O ATOM 1236 CB HIS A 80 52.492 -5.782 -15.597 1.00 0.00 C ATOM 1237 CG HIS A 80 53.403 -6.968 -15.480 1.00 0.00 C ATOM 1238 ND1 HIS A 80 54.324 -7.119 -14.465 1.00 0.00 N ATOM 1239 CD2 HIS A 80 53.526 -8.066 -16.260 1.00 0.00 C ATOM 1240 CE1 HIS A 80 54.972 -8.258 -14.627 1.00 0.00 C ATOM 1241 NE2 HIS A 80 54.506 -8.853 -15.708 1.00 0.00 N ATOM 0 H HIS A 80 51.509 -3.460 -16.417 1.00 0.00 H new ATOM 0 HA HIS A 80 53.865 -4.347 -14.845 1.00 0.00 H new ATOM 0 HB2 HIS A 80 51.842 -5.748 -14.723 1.00 0.00 H new ATOM 0 HB3 HIS A 80 51.849 -5.915 -16.467 1.00 0.00 H new ATOM 0 HD2 HIS A 80 52.958 -8.284 -17.152 1.00 0.00 H new ATOM 0 HE1 HIS A 80 55.752 -8.638 -13.983 1.00 0.00 H new ATOM 0 HE2 HIS A 80 54.822 -9.751 -16.074 1.00 0.00 H new ATOM 1250 N HIS A 81 53.527 -3.810 -18.028 1.00 0.00 N ATOM 1251 CA HIS A 81 54.229 -3.590 -19.284 1.00 0.00 C ATOM 1252 C HIS A 81 53.307 -2.845 -20.246 1.00 0.00 C ATOM 1253 O HIS A 81 52.140 -3.206 -20.384 1.00 0.00 O ATOM 1254 CB HIS A 81 54.645 -4.927 -19.906 1.00 0.00 C ATOM 1255 CG HIS A 81 56.046 -4.951 -20.435 1.00 0.00 C ATOM 1256 ND1 HIS A 81 56.369 -5.410 -21.695 1.00 0.00 N ATOM 1257 CD2 HIS A 81 57.219 -4.614 -19.847 1.00 0.00 C ATOM 1258 CE1 HIS A 81 57.679 -5.357 -21.855 1.00 0.00 C ATOM 1259 NE2 HIS A 81 58.220 -4.881 -20.748 1.00 0.00 N ATOM 0 H HIS A 81 52.566 -3.469 -18.030 1.00 0.00 H new ATOM 0 HA HIS A 81 55.126 -3.000 -19.093 1.00 0.00 H new ATOM 0 HB2 HIS A 81 54.538 -5.712 -19.157 1.00 0.00 H new ATOM 0 HB3 HIS A 81 53.958 -5.166 -20.718 1.00 0.00 H new ATOM 0 HD2 HIS A 81 57.344 -4.210 -18.853 1.00 0.00 H new ATOM 0 HE1 HIS A 81 58.218 -5.653 -22.743 1.00 0.00 H new ATOM 0 HE2 HIS A 81 59.217 -4.736 -20.589 1.00 0.00 H new ATOM 1268 N HIS A 82 53.810 -1.799 -20.884 1.00 0.00 N ATOM 1269 CA HIS A 82 53.033 -1.088 -21.895 1.00 0.00 C ATOM 1270 C HIS A 82 52.845 -2.020 -23.086 1.00 0.00 C ATOM 1271 O HIS A 82 51.727 -2.349 -23.475 1.00 0.00 O ATOM 1272 CB HIS A 82 53.765 0.192 -22.325 1.00 0.00 C ATOM 1273 CG HIS A 82 52.961 1.117 -23.199 1.00 0.00 C ATOM 1274 ND1 HIS A 82 52.846 2.467 -22.946 1.00 0.00 N ATOM 1275 CD2 HIS A 82 52.262 0.895 -24.340 1.00 0.00 C ATOM 1276 CE1 HIS A 82 52.115 3.033 -23.890 1.00 0.00 C ATOM 1277 NE2 HIS A 82 51.748 2.102 -24.746 1.00 0.00 N ATOM 0 H HIS A 82 54.745 -1.424 -20.724 1.00 0.00 H new ATOM 0 HA HIS A 82 52.063 -0.798 -21.491 1.00 0.00 H new ATOM 0 HB2 HIS A 82 54.072 0.735 -21.431 1.00 0.00 H new ATOM 0 HB3 HIS A 82 54.675 -0.088 -22.857 1.00 0.00 H new ATOM 0 HD2 HIS A 82 52.133 -0.055 -24.837 1.00 0.00 H new ATOM 0 HE1 HIS A 82 51.862 4.081 -23.949 1.00 0.00 H new ATOM 0 HE2 HIS A 82 51.175 2.253 -25.576 1.00 0.00 H new ATOM 1286 N HIS A 83 53.974 -2.438 -23.632 1.00 0.00 N ATOM 1287 CA HIS A 83 54.050 -3.463 -24.668 1.00 0.00 C ATOM 1288 C HIS A 83 55.510 -3.843 -24.826 1.00 0.00 C ATOM 1289 O HIS A 83 55.867 -5.018 -24.905 1.00 0.00 O ATOM 1290 CB HIS A 83 53.471 -2.989 -26.009 1.00 0.00 C ATOM 1291 CG HIS A 83 52.128 -3.579 -26.331 1.00 0.00 C ATOM 1292 ND1 HIS A 83 51.959 -4.879 -26.765 1.00 0.00 N ATOM 1293 CD2 HIS A 83 50.883 -3.043 -26.279 1.00 0.00 C ATOM 1294 CE1 HIS A 83 50.675 -5.114 -26.966 1.00 0.00 C ATOM 1295 NE2 HIS A 83 50.001 -4.017 -26.678 1.00 0.00 N ATOM 0 H HIS A 83 54.886 -2.068 -23.364 1.00 0.00 H new ATOM 0 HA HIS A 83 53.449 -4.321 -24.366 1.00 0.00 H new ATOM 0 HB2 HIS A 83 53.386 -1.902 -25.994 1.00 0.00 H new ATOM 0 HB3 HIS A 83 54.170 -3.243 -26.806 1.00 0.00 H new ATOM 0 HD2 HIS A 83 50.632 -2.036 -25.979 1.00 0.00 H new ATOM 0 HE1 HIS A 83 50.249 -6.046 -27.308 1.00 0.00 H new ATOM 0 HE2 HIS A 83 48.989 -3.910 -26.741 1.00 0.00 H new ATOM 1304 N HIS A 84 56.354 -2.819 -24.844 1.00 0.00 N ATOM 1305 CA HIS A 84 57.794 -3.000 -24.797 1.00 0.00 C ATOM 1306 C HIS A 84 58.404 -2.049 -23.779 1.00 0.00 C ATOM 1307 O HIS A 84 58.839 -0.951 -24.167 1.00 0.00 O ATOM 1308 CB HIS A 84 58.427 -2.786 -26.174 1.00 0.00 C ATOM 1309 CG HIS A 84 58.273 -3.965 -27.079 1.00 0.00 C ATOM 1310 ND1 HIS A 84 57.376 -4.005 -28.122 1.00 0.00 N ATOM 1311 CD2 HIS A 84 58.906 -5.159 -27.085 1.00 0.00 C ATOM 1312 CE1 HIS A 84 57.465 -5.171 -28.728 1.00 0.00 C ATOM 1313 NE2 HIS A 84 58.387 -5.890 -28.121 1.00 0.00 N ATOM 1314 OXT HIS A 84 58.441 -2.406 -22.585 1.00 0.00 O ATOM 0 H HIS A 84 56.058 -1.844 -24.891 1.00 0.00 H new ATOM 0 HA HIS A 84 57.998 -4.027 -24.494 1.00 0.00 H new ATOM 0 HB2 HIS A 84 57.974 -1.913 -26.644 1.00 0.00 H new ATOM 0 HB3 HIS A 84 59.487 -2.567 -26.050 1.00 0.00 H new ATOM 0 HD2 HIS A 84 59.678 -5.478 -26.400 1.00 0.00 H new ATOM 0 HE1 HIS A 84 56.880 -5.485 -29.580 1.00 0.00 H new ATOM 0 HE2 HIS A 84 58.668 -6.836 -28.380 1.00 0.00 H new TER 1323 HIS A 84