USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=24 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 : amide:sc= -0.21 K(o=0.74,f=-6.3!) USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= 0 F(o=-3.9!,f=0.74) USER MOD Set 1.3: A 67 THR OG1 : rot -170:sc= 0.948 USER MOD Set 2.1: A 44 SER OG : rot -136:sc= 0.336 USER MOD Set 2.2: A 46 THR OG1 : rot 103:sc= 0.557 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.138 (180deg=-0.0288) USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 0.078 (180deg=-1.06!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -140:sc= 0.107 USER MOD Single : A 22 ASN : amide:sc= -0.375 K(o=-0.37,f=-4.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.0615 USER MOD Single : A 30 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.089) USER MOD Single : A 31 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= 0.214 (180deg=-0.534) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.721 (180deg=-2.56!) USER MOD Single : A 41 HIS : no HD1:sc= 0.92 K(o=0.92,f=-4!) USER MOD Single : A 43 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.52) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 165:sc= -0.934 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 122:sc= 1.31 USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= 2.19 (180deg=0.474) USER MOD Single : A 64 HIS : no HE2:sc= -0.446 X(o=-0.45,f=-0.36) USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0.729 (180deg=0.516) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= 1.21 K(o=1.2,f=-5!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.189 -28.179 -3.699 1.00 0.00 N ATOM 2 CA MET A 1 70.816 -29.609 -3.605 1.00 0.00 C ATOM 3 C MET A 1 69.823 -29.958 -4.698 1.00 0.00 C ATOM 4 O MET A 1 69.525 -29.126 -5.558 1.00 0.00 O ATOM 5 CB MET A 1 70.209 -29.919 -2.233 1.00 0.00 C ATOM 6 CG MET A 1 71.206 -29.843 -1.087 1.00 0.00 C ATOM 7 SD MET A 1 70.460 -30.239 0.506 1.00 0.00 S ATOM 8 CE MET A 1 71.881 -30.080 1.585 1.00 0.00 C ATOM 0 H1 MET A 1 72.222 -28.085 -3.631 1.00 0.00 H new ATOM 0 H2 MET A 1 70.865 -27.795 -4.610 1.00 0.00 H new ATOM 0 H3 MET A 1 70.742 -27.652 -2.922 1.00 0.00 H new ATOM 0 HA MET A 1 71.716 -30.210 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.395 -29.220 -2.040 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.773 -30.918 -2.257 1.00 0.00 H new ATOM 0 HG2 MET A 1 72.029 -30.531 -1.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 71.631 -28.840 -1.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 71.584 -30.294 2.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 72.653 -30.784 1.276 1.00 0.00 H new ATOM 0 HE3 MET A 1 72.272 -29.064 1.525 1.00 0.00 H new ATOM 20 N ALA A 2 69.338 -31.192 -4.683 1.00 0.00 N ATOM 21 CA ALA A 2 68.248 -31.590 -5.556 1.00 0.00 C ATOM 22 C ALA A 2 66.960 -30.963 -5.045 1.00 0.00 C ATOM 23 O ALA A 2 66.120 -30.506 -5.820 1.00 0.00 O ATOM 24 CB ALA A 2 68.125 -33.107 -5.618 1.00 0.00 C ATOM 0 H ALA A 2 69.684 -31.934 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 2 68.448 -31.240 -6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 2 67.301 -33.379 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 2 69.053 -33.532 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 2 67.933 -33.498 -4.619 1.00 0.00 H new ATOM 30 N GLY A 3 66.827 -30.947 -3.726 1.00 0.00 N ATOM 31 CA GLY A 3 65.743 -30.234 -3.091 1.00 0.00 C ATOM 32 C GLY A 3 66.146 -28.810 -2.772 1.00 0.00 C ATOM 33 O GLY A 3 67.285 -28.419 -3.031 1.00 0.00 O ATOM 0 H GLY A 3 67.459 -31.421 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 3 64.871 -30.231 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 3 65.452 -30.748 -2.175 1.00 0.00 H new ATOM 37 N ASP A 4 65.220 -28.047 -2.193 1.00 0.00 N ATOM 38 CA ASP A 4 65.450 -26.631 -1.883 1.00 0.00 C ATOM 39 C ASP A 4 65.866 -25.850 -3.130 1.00 0.00 C ATOM 40 O ASP A 4 67.025 -25.450 -3.270 1.00 0.00 O ATOM 41 CB ASP A 4 66.510 -26.465 -0.784 1.00 0.00 C ATOM 42 CG ASP A 4 66.024 -26.900 0.585 1.00 0.00 C ATOM 43 OD1 ASP A 4 65.430 -26.068 1.297 1.00 0.00 O ATOM 44 OD2 ASP A 4 66.244 -28.074 0.964 1.00 0.00 O ATOM 0 H ASP A 4 64.296 -28.386 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 4 64.506 -26.226 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 4 67.394 -27.045 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 4 66.816 -25.420 -0.739 1.00 0.00 H new ATOM 49 N PRO A 5 64.926 -25.627 -4.062 1.00 0.00 N ATOM 50 CA PRO A 5 65.193 -24.932 -5.314 1.00 0.00 C ATOM 51 C PRO A 5 64.923 -23.431 -5.222 1.00 0.00 C ATOM 52 O PRO A 5 64.674 -22.770 -6.231 1.00 0.00 O ATOM 53 CB PRO A 5 64.208 -25.604 -6.263 1.00 0.00 C ATOM 54 CG PRO A 5 63.030 -25.969 -5.412 1.00 0.00 C ATOM 55 CD PRO A 5 63.519 -26.053 -3.981 1.00 0.00 C ATOM 0 HA PRO A 5 66.236 -24.999 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 5 63.918 -24.932 -7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 5 64.648 -26.487 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 5 62.242 -25.222 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 5 62.606 -26.921 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 5 62.942 -25.403 -3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 5 63.430 -27.065 -3.587 1.00 0.00 H new ATOM 63 N LEU A 6 64.975 -22.903 -4.006 1.00 0.00 N ATOM 64 CA LEU A 6 64.730 -21.487 -3.768 1.00 0.00 C ATOM 65 C LEU A 6 65.970 -20.832 -3.163 1.00 0.00 C ATOM 66 O LEU A 6 66.174 -20.877 -1.951 1.00 0.00 O ATOM 67 CB LEU A 6 63.531 -21.302 -2.831 1.00 0.00 C ATOM 68 CG LEU A 6 62.242 -22.008 -3.265 1.00 0.00 C ATOM 69 CD1 LEU A 6 61.149 -21.807 -2.228 1.00 0.00 C ATOM 70 CD2 LEU A 6 61.789 -21.507 -4.629 1.00 0.00 C ATOM 0 H LEU A 6 65.186 -23.439 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 6 64.506 -21.009 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 6 63.807 -21.663 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 6 63.327 -20.236 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 6 62.445 -23.076 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 6 60.241 -22.315 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 6 61.474 -22.219 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 6 60.947 -20.742 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 6 60.872 -22.020 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 6 61.604 -20.434 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 6 62.566 -21.707 -5.367 1.00 0.00 H new ATOM 82 N PRO A 7 66.825 -20.231 -4.003 1.00 0.00 N ATOM 83 CA PRO A 7 68.091 -19.655 -3.565 1.00 0.00 C ATOM 84 C PRO A 7 67.993 -18.179 -3.172 1.00 0.00 C ATOM 85 O PRO A 7 69.021 -17.527 -2.968 1.00 0.00 O ATOM 86 CB PRO A 7 68.957 -19.823 -4.809 1.00 0.00 C ATOM 87 CG PRO A 7 68.010 -19.660 -5.954 1.00 0.00 C ATOM 88 CD PRO A 7 66.643 -20.081 -5.459 1.00 0.00 C ATOM 0 HA PRO A 7 68.473 -20.136 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 7 69.751 -19.077 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 7 69.437 -20.801 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 7 67.994 -18.626 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 7 68.319 -20.273 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 7 65.886 -19.333 -5.692 1.00 0.00 H new ATOM 0 HD3 PRO A 7 66.321 -21.015 -5.920 1.00 0.00 H new ATOM 96 N LYS A 8 66.756 -17.674 -3.056 1.00 0.00 N ATOM 97 CA LYS A 8 66.501 -16.261 -2.748 1.00 0.00 C ATOM 98 C LYS A 8 66.904 -15.356 -3.912 1.00 0.00 C ATOM 99 O LYS A 8 67.787 -15.685 -4.705 1.00 0.00 O ATOM 100 CB LYS A 8 67.230 -15.824 -1.467 1.00 0.00 C ATOM 101 CG LYS A 8 66.480 -16.108 -0.175 1.00 0.00 C ATOM 102 CD LYS A 8 65.355 -15.111 0.048 1.00 0.00 C ATOM 103 CE LYS A 8 64.783 -15.224 1.451 1.00 0.00 C ATOM 104 NZ LYS A 8 63.821 -14.132 1.750 1.00 0.00 N ATOM 0 H LYS A 8 65.909 -18.231 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 8 65.428 -16.160 -2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.196 -16.326 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 8 67.429 -14.754 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 8 66.071 -17.118 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.173 -16.069 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 8 65.726 -14.099 -0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 8 64.565 -15.282 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 8 64.284 -16.187 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 8 65.596 -15.200 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 63.877 -13.886 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 64.055 -13.296 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 62.856 -14.448 1.524 1.00 0.00 H new ATOM 118 N TYR A 9 66.234 -14.221 -4.022 1.00 0.00 N ATOM 119 CA TYR A 9 66.580 -13.232 -5.029 1.00 0.00 C ATOM 120 C TYR A 9 66.454 -11.825 -4.458 1.00 0.00 C ATOM 121 O TYR A 9 65.602 -11.556 -3.606 1.00 0.00 O ATOM 122 CB TYR A 9 65.702 -13.381 -6.279 1.00 0.00 C ATOM 123 CG TYR A 9 66.127 -12.471 -7.410 1.00 0.00 C ATOM 124 CD1 TYR A 9 67.278 -12.740 -8.140 1.00 0.00 C ATOM 125 CD2 TYR A 9 65.395 -11.334 -7.731 1.00 0.00 C ATOM 126 CE1 TYR A 9 67.689 -11.901 -9.157 1.00 0.00 C ATOM 127 CE2 TYR A 9 65.797 -10.493 -8.751 1.00 0.00 C ATOM 128 CZ TYR A 9 66.944 -10.779 -9.458 1.00 0.00 C ATOM 129 OH TYR A 9 67.359 -9.935 -10.462 1.00 0.00 O ATOM 0 H TYR A 9 65.448 -13.962 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 9 67.616 -13.401 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 9 65.737 -14.416 -6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 9 64.666 -13.166 -6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 9 67.861 -13.619 -7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 9 64.498 -11.104 -7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 9 68.588 -12.122 -9.713 1.00 0.00 H new ATOM 0 HE2 TYR A 9 65.215 -9.616 -8.993 1.00 0.00 H new ATOM 0 HH TYR A 9 66.724 -9.193 -10.549 1.00 0.00 H new ATOM 139 N TRP A 10 67.318 -10.936 -4.926 1.00 0.00 N ATOM 140 CA TRP A 10 67.322 -9.549 -4.491 1.00 0.00 C ATOM 141 C TRP A 10 66.073 -8.830 -4.989 1.00 0.00 C ATOM 142 O TRP A 10 65.978 -8.471 -6.160 1.00 0.00 O ATOM 143 CB TRP A 10 68.570 -8.842 -5.015 1.00 0.00 C ATOM 144 CG TRP A 10 69.840 -9.576 -4.716 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.578 -9.505 -3.571 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.521 -10.500 -5.576 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.676 -10.325 -3.666 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.663 -10.947 -4.885 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.277 -10.992 -6.862 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.555 -11.863 -5.437 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.164 -11.900 -7.407 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.292 -12.327 -6.695 1.00 0.00 C ATOM 0 H TRP A 10 68.035 -11.157 -5.617 1.00 0.00 H new ATOM 0 HA TRP A 10 67.327 -9.527 -3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.479 -8.713 -6.094 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.624 -7.845 -4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 10 70.335 -8.893 -2.715 1.00 0.00 H new ATOM 0 HE1 TRP A 10 72.386 -10.450 -2.945 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.410 -10.668 -7.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.425 -12.195 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 70.985 -12.287 -8.399 1.00 0.00 H new ATOM 0 HH2 TRP A 10 72.967 -13.037 -7.149 1.00 0.00 H new ATOM 163 N SER A 11 65.118 -8.633 -4.093 1.00 0.00 N ATOM 164 CA SER A 11 63.857 -8.000 -4.443 1.00 0.00 C ATOM 165 C SER A 11 63.985 -6.476 -4.460 1.00 0.00 C ATOM 166 O SER A 11 63.084 -5.772 -4.919 1.00 0.00 O ATOM 167 CB SER A 11 62.775 -8.425 -3.456 1.00 0.00 C ATOM 168 OG SER A 11 62.693 -9.840 -3.371 1.00 0.00 O ATOM 0 H SER A 11 65.194 -8.904 -3.113 1.00 0.00 H new ATOM 0 HA SER A 11 63.580 -8.323 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 11 62.992 -8.010 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 11 61.813 -8.019 -3.768 1.00 0.00 H new ATOM 0 HG SER A 11 61.994 -10.089 -2.731 1.00 0.00 H new ATOM 174 N TYR A 12 65.104 -5.971 -3.952 1.00 0.00 N ATOM 175 CA TYR A 12 65.360 -4.538 -3.953 1.00 0.00 C ATOM 176 C TYR A 12 66.308 -4.185 -5.095 1.00 0.00 C ATOM 177 O TYR A 12 67.419 -4.710 -5.171 1.00 0.00 O ATOM 178 CB TYR A 12 65.959 -4.089 -2.617 1.00 0.00 C ATOM 179 CG TYR A 12 65.057 -4.321 -1.422 1.00 0.00 C ATOM 180 CD1 TYR A 12 64.149 -3.353 -1.005 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.118 -5.508 -0.706 1.00 0.00 C ATOM 182 CE1 TYR A 12 63.330 -3.569 0.090 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.307 -5.731 0.384 1.00 0.00 C ATOM 184 CZ TYR A 12 63.414 -4.759 0.780 1.00 0.00 C ATOM 185 OH TYR A 12 62.607 -4.979 1.872 1.00 0.00 O ATOM 0 H TYR A 12 65.846 -6.533 -3.535 1.00 0.00 H new ATOM 0 HA TYR A 12 64.413 -4.017 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.898 -4.618 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 12 66.197 -3.027 -2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 12 64.082 -2.419 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 12 65.817 -6.273 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 12 62.629 -2.809 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.370 -6.663 0.926 1.00 0.00 H new ATOM 0 HH TYR A 12 63.121 -5.432 2.573 1.00 0.00 H new ATOM 195 N PRO A 13 65.870 -3.307 -6.008 1.00 0.00 N ATOM 196 CA PRO A 13 66.653 -2.910 -7.186 1.00 0.00 C ATOM 197 C PRO A 13 67.924 -2.137 -6.831 1.00 0.00 C ATOM 198 O PRO A 13 68.105 -1.690 -5.697 1.00 0.00 O ATOM 199 CB PRO A 13 65.693 -2.010 -7.976 1.00 0.00 C ATOM 200 CG PRO A 13 64.342 -2.276 -7.411 1.00 0.00 C ATOM 201 CD PRO A 13 64.564 -2.633 -5.974 1.00 0.00 C ATOM 0 HA PRO A 13 67.001 -3.783 -7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 13 65.963 -0.959 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 13 65.725 -2.241 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 13 63.701 -1.399 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 13 63.848 -3.089 -7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 13 64.580 -1.750 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 13 63.780 -3.288 -5.593 1.00 0.00 H new ATOM 209 N VAL A 14 68.801 -1.983 -7.814 1.00 0.00 N ATOM 210 CA VAL A 14 70.032 -1.226 -7.635 1.00 0.00 C ATOM 211 C VAL A 14 69.758 0.257 -7.854 1.00 0.00 C ATOM 212 O VAL A 14 69.097 0.634 -8.822 1.00 0.00 O ATOM 213 CB VAL A 14 71.130 -1.693 -8.613 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.427 -0.936 -8.373 1.00 0.00 C ATOM 215 CG2 VAL A 14 71.362 -3.189 -8.488 1.00 0.00 C ATOM 0 H VAL A 14 68.681 -2.375 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 14 70.386 -1.396 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 14 70.789 -1.479 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.186 -1.283 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.258 0.131 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 14 72.768 -1.113 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.140 -3.496 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 14 71.674 -3.425 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 14 70.438 -3.721 -8.717 1.00 0.00 H new ATOM 225 N GLY A 15 70.251 1.092 -6.955 1.00 0.00 N ATOM 226 CA GLY A 15 70.007 2.514 -7.062 1.00 0.00 C ATOM 227 C GLY A 15 68.820 2.933 -6.229 1.00 0.00 C ATOM 228 O GLY A 15 68.348 4.068 -6.322 1.00 0.00 O ATOM 0 H GLY A 15 70.816 0.811 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.892 3.062 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.833 2.777 -8.105 1.00 0.00 H new ATOM 232 N LEU A 16 68.333 2.009 -5.416 1.00 0.00 N ATOM 233 CA LEU A 16 67.197 2.272 -4.553 1.00 0.00 C ATOM 234 C LEU A 16 67.647 2.985 -3.286 1.00 0.00 C ATOM 235 O LEU A 16 68.487 2.474 -2.538 1.00 0.00 O ATOM 236 CB LEU A 16 66.483 0.964 -4.195 1.00 0.00 C ATOM 237 CG LEU A 16 65.230 1.120 -3.326 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.165 1.925 -4.061 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.691 -0.244 -2.919 1.00 0.00 C ATOM 0 H LEU A 16 68.711 1.065 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 16 66.500 2.916 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.204 0.457 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.188 0.315 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 16 65.503 1.664 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.283 2.025 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.556 2.915 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.893 1.412 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.801 -0.115 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.434 -0.815 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.451 -0.781 -2.351 1.00 0.00 H new ATOM 251 N ALA A 17 67.101 4.172 -3.061 1.00 0.00 N ATOM 252 CA ALA A 17 67.387 4.928 -1.855 1.00 0.00 C ATOM 253 C ALA A 17 66.635 4.328 -0.675 1.00 0.00 C ATOM 254 O ALA A 17 65.407 4.213 -0.699 1.00 0.00 O ATOM 255 CB ALA A 17 67.015 6.391 -2.044 1.00 0.00 C ATOM 0 H ALA A 17 66.455 4.632 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 17 68.456 4.874 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.236 6.943 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.591 6.809 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 17 65.951 6.470 -2.268 1.00 0.00 H new ATOM 261 N VAL A 18 67.373 3.940 0.349 1.00 0.00 N ATOM 262 CA VAL A 18 66.793 3.254 1.488 1.00 0.00 C ATOM 263 C VAL A 18 67.263 3.873 2.796 1.00 0.00 C ATOM 264 O VAL A 18 68.222 4.645 2.827 1.00 0.00 O ATOM 265 CB VAL A 18 67.153 1.746 1.494 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.547 1.034 0.293 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.665 1.551 1.521 1.00 0.00 C ATOM 0 H VAL A 18 68.380 4.089 0.415 1.00 0.00 H new ATOM 0 HA VAL A 18 65.712 3.361 1.398 1.00 0.00 H new ATOM 0 HB VAL A 18 66.732 1.306 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.815 -0.022 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.462 1.133 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.929 1.480 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.894 0.485 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 69.107 2.014 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 18 69.076 2.014 2.418 1.00 0.00 H new ATOM 277 N GLU A 19 66.575 3.545 3.866 1.00 0.00 N ATOM 278 CA GLU A 19 66.978 3.959 5.189 1.00 0.00 C ATOM 279 C GLU A 19 67.153 2.740 6.081 1.00 0.00 C ATOM 280 O GLU A 19 66.497 1.711 5.885 1.00 0.00 O ATOM 281 CB GLU A 19 65.949 4.922 5.784 1.00 0.00 C ATOM 282 CG GLU A 19 64.540 4.357 5.883 1.00 0.00 C ATOM 283 CD GLU A 19 63.544 5.387 6.372 1.00 0.00 C ATOM 284 OE1 GLU A 19 63.852 6.096 7.352 1.00 0.00 O ATOM 285 OE2 GLU A 19 62.440 5.475 5.788 1.00 0.00 O ATOM 0 H GLU A 19 65.723 2.985 3.843 1.00 0.00 H new ATOM 0 HA GLU A 19 67.932 4.482 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.279 5.217 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.922 5.826 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.229 3.988 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.539 3.503 6.561 1.00 0.00 H new ATOM 292 N ILE A 20 68.054 2.849 7.043 1.00 0.00 N ATOM 293 CA ILE A 20 68.281 1.776 7.992 1.00 0.00 C ATOM 294 C ILE A 20 67.243 1.856 9.097 1.00 0.00 C ATOM 295 O ILE A 20 67.228 2.808 9.881 1.00 0.00 O ATOM 296 CB ILE A 20 69.700 1.814 8.611 1.00 0.00 C ATOM 297 CG1 ILE A 20 70.778 1.552 7.548 1.00 0.00 C ATOM 298 CG2 ILE A 20 69.809 0.790 9.732 1.00 0.00 C ATOM 299 CD1 ILE A 20 71.056 2.727 6.631 1.00 0.00 C ATOM 0 H ILE A 20 68.640 3.671 7.186 1.00 0.00 H new ATOM 0 HA ILE A 20 68.193 0.836 7.447 1.00 0.00 H new ATOM 0 HB ILE A 20 69.864 2.811 9.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.704 1.272 8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.473 0.699 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 20 70.811 0.825 10.161 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.075 1.018 10.505 1.00 0.00 H new ATOM 0 HG23 ILE A 20 69.619 -0.207 9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.829 2.453 5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.144 2.996 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.395 3.578 7.222 1.00 0.00 H new ATOM 311 N ASN A 21 66.377 0.859 9.150 1.00 0.00 N ATOM 312 CA ASN A 21 65.268 0.862 10.092 1.00 0.00 C ATOM 313 C ASN A 21 65.719 0.395 11.475 1.00 0.00 C ATOM 314 O ASN A 21 66.817 -0.141 11.637 1.00 0.00 O ATOM 315 CB ASN A 21 64.115 -0.003 9.563 1.00 0.00 C ATOM 316 CG ASN A 21 64.511 -1.448 9.300 1.00 0.00 C ATOM 317 OD1 ASN A 21 65.304 -2.038 10.030 1.00 0.00 O ATOM 318 ND2 ASN A 21 63.960 -2.027 8.248 1.00 0.00 N ATOM 0 H ASN A 21 66.419 0.035 8.551 1.00 0.00 H new ATOM 0 HA ASN A 21 64.908 1.886 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 21 63.297 0.016 10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 21 63.737 0.435 8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 21 64.189 -2.994 8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 21 63.305 -1.507 7.664 1.00 0.00 H new ATOM 325 N ASN A 22 64.858 0.584 12.462 1.00 0.00 N ATOM 326 CA ASN A 22 65.183 0.262 13.850 1.00 0.00 C ATOM 327 C ASN A 22 64.987 -1.231 14.138 1.00 0.00 C ATOM 328 O ASN A 22 64.603 -1.621 15.240 1.00 0.00 O ATOM 329 CB ASN A 22 64.311 1.101 14.790 1.00 0.00 C ATOM 330 CG ASN A 22 64.822 1.133 16.222 1.00 0.00 C ATOM 331 OD1 ASN A 22 66.025 1.098 16.471 1.00 0.00 O ATOM 332 ND2 ASN A 22 63.903 1.192 17.171 1.00 0.00 N ATOM 0 H ASN A 22 63.920 0.962 12.330 1.00 0.00 H new ATOM 0 HA ASN A 22 66.234 0.497 14.020 1.00 0.00 H new ATOM 0 HB2 ASN A 22 64.256 2.121 14.409 1.00 0.00 H new ATOM 0 HB3 ASN A 22 63.296 0.703 14.783 1.00 0.00 H new ATOM 0 HD21 ASN A 22 64.183 1.210 18.152 1.00 0.00 H new ATOM 0 HD22 ASN A 22 62.914 1.220 16.922 1.00 0.00 H new ATOM 339 N ASN A 23 65.261 -2.067 13.147 1.00 0.00 N ATOM 340 CA ASN A 23 65.214 -3.516 13.337 1.00 0.00 C ATOM 341 C ASN A 23 66.622 -4.061 13.490 1.00 0.00 C ATOM 342 O ASN A 23 66.886 -4.925 14.326 1.00 0.00 O ATOM 343 CB ASN A 23 64.515 -4.221 12.171 1.00 0.00 C ATOM 344 CG ASN A 23 63.027 -3.931 12.109 1.00 0.00 C ATOM 345 OD1 ASN A 23 62.652 -2.911 11.357 1.00 0.00 O flip ATOM 346 ND2 ASN A 23 62.220 -4.629 12.724 1.00 0.00 N flip ATOM 0 H ASN A 23 65.518 -1.772 12.205 1.00 0.00 H new ATOM 0 HA ASN A 23 64.638 -3.712 14.241 1.00 0.00 H new ATOM 0 HB2 ASN A 23 64.979 -3.911 11.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 64.666 -5.297 12.261 1.00 0.00 H new ATOM 0 HD21 ASN A 23 62.550 -5.408 13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 23 61.222 -4.428 12.663 1.00 0.00 H new ATOM 353 N ALA A 24 67.538 -3.521 12.697 1.00 0.00 N ATOM 354 CA ALA A 24 68.938 -3.928 12.743 1.00 0.00 C ATOM 355 C ALA A 24 69.676 -3.196 13.862 1.00 0.00 C ATOM 356 O ALA A 24 70.904 -3.180 13.911 1.00 0.00 O ATOM 357 CB ALA A 24 69.606 -3.661 11.401 1.00 0.00 C ATOM 0 H ALA A 24 67.336 -2.795 12.010 1.00 0.00 H new ATOM 0 HA ALA A 24 68.981 -4.997 12.949 1.00 0.00 H new ATOM 0 HB1 ALA A 24 70.651 -3.969 11.447 1.00 0.00 H new ATOM 0 HB2 ALA A 24 69.095 -4.226 10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 24 69.551 -2.597 11.173 1.00 0.00 H new ATOM 363 N ARG A 25 68.909 -2.626 14.784 1.00 0.00 N ATOM 364 CA ARG A 25 69.459 -1.807 15.860 1.00 0.00 C ATOM 365 C ARG A 25 70.270 -2.633 16.855 1.00 0.00 C ATOM 366 O ARG A 25 71.027 -2.083 17.648 1.00 0.00 O ATOM 367 CB ARG A 25 68.329 -1.044 16.571 1.00 0.00 C ATOM 368 CG ARG A 25 67.174 -1.919 17.046 1.00 0.00 C ATOM 369 CD ARG A 25 67.442 -2.545 18.403 1.00 0.00 C ATOM 370 NE ARG A 25 67.428 -1.560 19.482 1.00 0.00 N ATOM 371 CZ ARG A 25 67.245 -1.872 20.764 1.00 0.00 C ATOM 372 NH1 ARG A 25 67.107 -3.141 21.128 1.00 0.00 N ATOM 373 NH2 ARG A 25 67.197 -0.916 21.680 1.00 0.00 N ATOM 0 H ARG A 25 67.893 -2.717 14.808 1.00 0.00 H new ATOM 0 HA ARG A 25 70.147 -1.089 15.413 1.00 0.00 H new ATOM 0 HB2 ARG A 25 68.747 -0.519 17.430 1.00 0.00 H new ATOM 0 HB3 ARG A 25 67.938 -0.285 15.893 1.00 0.00 H new ATOM 0 HG2 ARG A 25 66.265 -1.319 17.099 1.00 0.00 H new ATOM 0 HG3 ARG A 25 66.994 -2.707 16.315 1.00 0.00 H new ATOM 0 HD2 ARG A 25 66.691 -3.309 18.602 1.00 0.00 H new ATOM 0 HD3 ARG A 25 68.410 -3.046 18.384 1.00 0.00 H new ATOM 0 HE ARG A 25 67.566 -0.579 19.240 1.00 0.00 H new ATOM 0 HH11 ARG A 25 67.141 -3.880 20.425 1.00 0.00 H new ATOM 0 HH12 ARG A 25 66.967 -3.377 22.110 1.00 0.00 H new ATOM 0 HH21 ARG A 25 67.300 0.060 21.404 1.00 0.00 H new ATOM 0 HH22 ARG A 25 67.057 -1.156 22.661 1.00 0.00 H new ATOM 387 N TYR A 26 70.111 -3.950 16.811 1.00 0.00 N ATOM 388 CA TYR A 26 70.872 -4.822 17.693 1.00 0.00 C ATOM 389 C TYR A 26 72.260 -5.069 17.108 1.00 0.00 C ATOM 390 O TYR A 26 73.203 -5.400 17.826 1.00 0.00 O ATOM 391 CB TYR A 26 70.143 -6.147 17.918 1.00 0.00 C ATOM 392 CG TYR A 26 70.729 -6.961 19.051 1.00 0.00 C ATOM 393 CD1 TYR A 26 70.629 -6.514 20.362 1.00 0.00 C ATOM 394 CD2 TYR A 26 71.382 -8.164 18.813 1.00 0.00 C ATOM 395 CE1 TYR A 26 71.164 -7.241 21.406 1.00 0.00 C ATOM 396 CE2 TYR A 26 71.919 -8.896 19.854 1.00 0.00 C ATOM 397 CZ TYR A 26 71.808 -8.430 21.148 1.00 0.00 C ATOM 398 OH TYR A 26 72.342 -9.155 22.189 1.00 0.00 O ATOM 0 H TYR A 26 69.470 -4.432 16.181 1.00 0.00 H new ATOM 0 HA TYR A 26 70.976 -4.329 18.660 1.00 0.00 H new ATOM 0 HB2 TYR A 26 69.093 -5.946 18.128 1.00 0.00 H new ATOM 0 HB3 TYR A 26 70.178 -6.734 17.001 1.00 0.00 H new ATOM 0 HD1 TYR A 26 70.124 -5.582 20.568 1.00 0.00 H new ATOM 0 HD2 TYR A 26 71.471 -8.531 17.801 1.00 0.00 H new ATOM 0 HE1 TYR A 26 71.078 -6.879 22.420 1.00 0.00 H new ATOM 0 HE2 TYR A 26 72.424 -9.830 19.656 1.00 0.00 H new ATOM 0 HH TYR A 26 72.761 -9.969 21.840 1.00 0.00 H new ATOM 408 N GLY A 27 72.374 -4.904 15.794 1.00 0.00 N ATOM 409 CA GLY A 27 73.661 -5.021 15.139 1.00 0.00 C ATOM 410 C GLY A 27 74.300 -3.662 14.937 1.00 0.00 C ATOM 411 O GLY A 27 75.504 -3.551 14.701 1.00 0.00 O ATOM 0 H GLY A 27 71.595 -4.691 15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 27 74.320 -5.650 15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 27 73.538 -5.514 14.175 1.00 0.00 H new ATOM 415 N CYS A 28 73.479 -2.627 15.027 1.00 0.00 N ATOM 416 CA CYS A 28 73.944 -1.258 14.902 1.00 0.00 C ATOM 417 C CYS A 28 73.299 -0.382 15.974 1.00 0.00 C ATOM 418 O CYS A 28 72.372 0.383 15.690 1.00 0.00 O ATOM 419 CB CYS A 28 73.627 -0.710 13.508 1.00 0.00 C ATOM 420 SG CYS A 28 74.358 -1.664 12.160 1.00 0.00 S ATOM 0 H CYS A 28 72.476 -2.714 15.188 1.00 0.00 H new ATOM 0 HA CYS A 28 75.025 -1.245 15.041 1.00 0.00 H new ATOM 0 HB2 CYS A 28 72.545 -0.684 13.376 1.00 0.00 H new ATOM 0 HB3 CYS A 28 73.980 0.319 13.444 1.00 0.00 H new ATOM 0 HG CYS A 28 74.033 -1.126 11.022 1.00 0.00 H new ATOM 426 N PRO A 29 73.775 -0.497 17.225 1.00 0.00 N ATOM 427 CA PRO A 29 73.201 0.226 18.362 1.00 0.00 C ATOM 428 C PRO A 29 73.349 1.736 18.217 1.00 0.00 C ATOM 429 O PRO A 29 74.459 2.274 18.252 1.00 0.00 O ATOM 430 CB PRO A 29 73.996 -0.289 19.565 1.00 0.00 C ATOM 431 CG PRO A 29 75.263 -0.820 18.992 1.00 0.00 C ATOM 432 CD PRO A 29 74.915 -1.339 17.627 1.00 0.00 C ATOM 0 HA PRO A 29 72.128 0.055 18.453 1.00 0.00 H new ATOM 0 HB2 PRO A 29 74.191 0.510 20.280 1.00 0.00 H new ATOM 0 HB3 PRO A 29 73.447 -1.066 20.097 1.00 0.00 H new ATOM 0 HG2 PRO A 29 76.021 -0.039 18.931 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.672 -1.613 19.618 1.00 0.00 H new ATOM 0 HD2 PRO A 29 75.751 -1.242 16.934 1.00 0.00 H new ATOM 0 HD3 PRO A 29 74.645 -2.395 17.655 1.00 0.00 H new ATOM 440 N HIS A 30 72.213 2.403 18.030 1.00 0.00 N ATOM 441 CA HIS A 30 72.162 3.846 17.803 1.00 0.00 C ATOM 442 C HIS A 30 72.964 4.215 16.557 1.00 0.00 C ATOM 443 O HIS A 30 73.490 5.317 16.425 1.00 0.00 O ATOM 444 CB HIS A 30 72.666 4.615 19.034 1.00 0.00 C ATOM 445 CG HIS A 30 72.207 6.045 19.086 1.00 0.00 C ATOM 446 ND1 HIS A 30 71.114 6.460 19.816 1.00 0.00 N ATOM 447 CD2 HIS A 30 72.695 7.159 18.488 1.00 0.00 C ATOM 448 CE1 HIS A 30 70.949 7.760 19.660 1.00 0.00 C ATOM 449 NE2 HIS A 30 71.894 8.207 18.860 1.00 0.00 N ATOM 0 H HIS A 30 71.296 1.956 18.032 1.00 0.00 H new ATOM 0 HA HIS A 30 71.123 4.133 17.639 1.00 0.00 H new ATOM 0 HB2 HIS A 30 72.328 4.102 19.935 1.00 0.00 H new ATOM 0 HB3 HIS A 30 73.756 4.592 19.044 1.00 0.00 H new ATOM 0 HD2 HIS A 30 73.556 7.211 17.838 1.00 0.00 H new ATOM 0 HE1 HIS A 30 70.170 8.356 20.112 1.00 0.00 H new ATOM 0 HE2 HIS A 30 72.011 9.176 18.565 1.00 0.00 H new ATOM 458 N HIS A 31 73.043 3.277 15.635 1.00 0.00 N ATOM 459 CA HIS A 31 73.693 3.519 14.356 1.00 0.00 C ATOM 460 C HIS A 31 72.657 3.444 13.247 1.00 0.00 C ATOM 461 O HIS A 31 72.968 3.615 12.068 1.00 0.00 O ATOM 462 CB HIS A 31 74.825 2.513 14.101 1.00 0.00 C ATOM 463 CG HIS A 31 75.990 2.654 15.034 1.00 0.00 C ATOM 464 ND1 HIS A 31 76.829 1.609 15.353 1.00 0.00 N ATOM 465 CD2 HIS A 31 76.462 3.729 15.709 1.00 0.00 C ATOM 466 CE1 HIS A 31 77.762 2.033 16.185 1.00 0.00 C ATOM 467 NE2 HIS A 31 77.563 3.316 16.416 1.00 0.00 N ATOM 0 H HIS A 31 72.665 2.336 15.745 1.00 0.00 H new ATOM 0 HA HIS A 31 74.140 4.513 14.375 1.00 0.00 H new ATOM 0 HB2 HIS A 31 74.425 1.503 14.186 1.00 0.00 H new ATOM 0 HB3 HIS A 31 75.177 2.631 13.076 1.00 0.00 H new ATOM 0 HD2 HIS A 31 76.048 4.727 15.694 1.00 0.00 H new ATOM 0 HE1 HIS A 31 78.554 1.431 16.605 1.00 0.00 H new ATOM 0 HE2 HIS A 31 78.134 3.905 17.022 1.00 0.00 H new ATOM 476 N VAL A 32 71.414 3.197 13.651 1.00 0.00 N ATOM 477 CA VAL A 32 70.298 3.102 12.720 1.00 0.00 C ATOM 478 C VAL A 32 69.616 4.458 12.556 1.00 0.00 C ATOM 479 O VAL A 32 70.000 5.435 13.204 1.00 0.00 O ATOM 480 CB VAL A 32 69.258 2.058 13.192 1.00 0.00 C ATOM 481 CG1 VAL A 32 69.889 0.674 13.275 1.00 0.00 C ATOM 482 CG2 VAL A 32 68.661 2.459 14.534 1.00 0.00 C ATOM 0 H VAL A 32 71.155 3.058 14.628 1.00 0.00 H new ATOM 0 HA VAL A 32 70.703 2.782 11.760 1.00 0.00 H new ATOM 0 HB VAL A 32 68.452 2.024 12.459 1.00 0.00 H new ATOM 0 HG11 VAL A 32 69.143 -0.047 13.609 1.00 0.00 H new ATOM 0 HG12 VAL A 32 70.260 0.384 12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 32 70.717 0.693 13.984 1.00 0.00 H new ATOM 0 HG21 VAL A 32 67.933 1.711 14.846 1.00 0.00 H new ATOM 0 HG22 VAL A 32 69.454 2.527 15.279 1.00 0.00 H new ATOM 0 HG23 VAL A 32 68.169 3.427 14.439 1.00 0.00 H new ATOM 492 N GLY A 33 68.618 4.520 11.684 1.00 0.00 N ATOM 493 CA GLY A 33 67.898 5.761 11.468 1.00 0.00 C ATOM 494 C GLY A 33 68.528 6.608 10.382 1.00 0.00 C ATOM 495 O GLY A 33 67.974 7.629 9.977 1.00 0.00 O ATOM 0 H GLY A 33 68.294 3.733 11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 33 66.866 5.538 11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.869 6.329 12.398 1.00 0.00 H new ATOM 499 N ARG A 34 69.689 6.181 9.906 1.00 0.00 N ATOM 500 CA ARG A 34 70.400 6.897 8.856 1.00 0.00 C ATOM 501 C ARG A 34 69.896 6.453 7.487 1.00 0.00 C ATOM 502 O ARG A 34 69.116 5.507 7.382 1.00 0.00 O ATOM 503 CB ARG A 34 71.905 6.653 8.967 1.00 0.00 C ATOM 504 CG ARG A 34 72.499 7.074 10.305 1.00 0.00 C ATOM 505 CD ARG A 34 73.977 6.730 10.386 1.00 0.00 C ATOM 506 NE ARG A 34 74.212 5.295 10.225 1.00 0.00 N ATOM 507 CZ ARG A 34 74.692 4.742 9.110 1.00 0.00 C ATOM 508 NH1 ARG A 34 75.049 5.502 8.086 1.00 0.00 N ATOM 509 NH2 ARG A 34 74.840 3.429 9.024 1.00 0.00 N ATOM 0 H ARG A 34 70.161 5.338 10.232 1.00 0.00 H new ATOM 0 HA ARG A 34 70.212 7.964 8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.104 5.593 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.411 7.195 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 34 72.365 8.147 10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 34 71.963 6.579 11.115 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.520 7.276 9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.374 7.057 11.347 1.00 0.00 H new ATOM 0 HE ARG A 34 73.996 4.682 11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.958 6.516 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.415 5.073 7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.586 2.834 9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 34 75.208 3.012 8.169 1.00 0.00 H new ATOM 523 N LYS A 35 70.336 7.136 6.444 1.00 0.00 N ATOM 524 CA LYS A 35 69.897 6.829 5.091 1.00 0.00 C ATOM 525 C LYS A 35 71.065 6.412 4.206 1.00 0.00 C ATOM 526 O LYS A 35 72.225 6.703 4.505 1.00 0.00 O ATOM 527 CB LYS A 35 69.173 8.033 4.484 1.00 0.00 C ATOM 528 CG LYS A 35 67.694 8.095 4.836 1.00 0.00 C ATOM 529 CD LYS A 35 67.268 9.484 5.288 1.00 0.00 C ATOM 530 CE LYS A 35 67.755 9.777 6.699 1.00 0.00 C ATOM 531 NZ LYS A 35 67.173 8.834 7.692 1.00 0.00 N ATOM 0 H LYS A 35 70.999 7.909 6.507 1.00 0.00 H new ATOM 0 HA LYS A 35 69.206 5.988 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.658 8.948 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 35 69.279 8.001 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 35 67.103 7.800 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.480 7.376 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 35 67.666 10.231 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 35 66.182 9.564 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 35 68.843 9.711 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 35 67.490 10.799 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 66.628 9.367 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 66.546 8.162 7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 67.938 8.313 8.166 1.00 0.00 H new ATOM 545 N GLY A 36 70.737 5.727 3.122 1.00 0.00 N ATOM 546 CA GLY A 36 71.734 5.262 2.183 1.00 0.00 C ATOM 547 C GLY A 36 71.105 4.874 0.863 1.00 0.00 C ATOM 548 O GLY A 36 69.936 5.178 0.613 1.00 0.00 O ATOM 0 H GLY A 36 69.779 5.481 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.476 6.044 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.261 4.405 2.603 1.00 0.00 H new ATOM 552 N LYS A 37 71.867 4.211 0.015 1.00 0.00 N ATOM 553 CA LYS A 37 71.365 3.787 -1.279 1.00 0.00 C ATOM 554 C LYS A 37 72.017 2.474 -1.700 1.00 0.00 C ATOM 555 O LYS A 37 73.240 2.337 -1.655 1.00 0.00 O ATOM 556 CB LYS A 37 71.610 4.896 -2.309 1.00 0.00 C ATOM 557 CG LYS A 37 71.160 4.559 -3.722 1.00 0.00 C ATOM 558 CD LYS A 37 70.952 5.807 -4.583 1.00 0.00 C ATOM 559 CE LYS A 37 72.226 6.628 -4.766 1.00 0.00 C ATOM 560 NZ LYS A 37 72.567 7.440 -3.563 1.00 0.00 N ATOM 0 H LYS A 37 72.837 3.954 0.198 1.00 0.00 H new ATOM 0 HA LYS A 37 70.292 3.609 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.092 5.798 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.675 5.128 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 37 71.903 3.916 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.230 3.992 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 37 70.576 5.508 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 37 70.186 6.433 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 37 73.055 5.958 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 37 72.106 7.290 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 72.897 8.380 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 71.724 7.543 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 73.319 6.964 -3.025 1.00 0.00 H new ATOM 574 N ILE A 38 71.192 1.504 -2.076 1.00 0.00 N ATOM 575 CA ILE A 38 71.681 0.190 -2.472 1.00 0.00 C ATOM 576 C ILE A 38 72.411 0.276 -3.805 1.00 0.00 C ATOM 577 O ILE A 38 71.819 0.642 -4.818 1.00 0.00 O ATOM 578 CB ILE A 38 70.523 -0.825 -2.596 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.759 -0.926 -1.274 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.054 -2.191 -3.015 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.538 -1.817 -1.347 1.00 0.00 C ATOM 0 H ILE A 38 70.178 1.604 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 38 72.367 -0.151 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 38 69.835 -0.474 -3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.430 -1.306 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.452 0.073 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.225 -2.894 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.555 -2.106 -3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.762 -2.551 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.047 -1.841 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 38 67.846 -1.426 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 38 68.840 -2.826 -1.626 1.00 0.00 H new ATOM 593 N ILE A 39 73.693 -0.056 -3.804 1.00 0.00 N ATOM 594 CA ILE A 39 74.501 0.067 -5.010 1.00 0.00 C ATOM 595 C ILE A 39 74.951 -1.294 -5.533 1.00 0.00 C ATOM 596 O ILE A 39 75.335 -1.424 -6.695 1.00 0.00 O ATOM 597 CB ILE A 39 75.742 0.955 -4.772 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.559 0.435 -3.583 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.325 2.404 -4.551 1.00 0.00 C ATOM 600 CD1 ILE A 39 77.844 1.198 -3.342 1.00 0.00 C ATOM 0 H ILE A 39 74.194 -0.410 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 39 73.864 0.537 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 39 76.373 0.912 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 39 75.945 0.483 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.797 -0.615 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.211 3.016 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 39 74.792 2.767 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.673 2.466 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.365 0.771 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.479 1.129 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.614 2.244 -3.142 1.00 0.00 H new ATOM 612 N GLU A 40 74.876 -2.311 -4.686 1.00 0.00 N ATOM 613 CA GLU A 40 75.384 -3.632 -5.037 1.00 0.00 C ATOM 614 C GLU A 40 74.364 -4.717 -4.712 1.00 0.00 C ATOM 615 O GLU A 40 73.653 -4.630 -3.707 1.00 0.00 O ATOM 616 CB GLU A 40 76.671 -3.939 -4.265 1.00 0.00 C ATOM 617 CG GLU A 40 77.783 -2.916 -4.447 1.00 0.00 C ATOM 618 CD GLU A 40 78.338 -2.897 -5.854 1.00 0.00 C ATOM 619 OE1 GLU A 40 78.646 -3.980 -6.390 1.00 0.00 O ATOM 620 OE2 GLU A 40 78.484 -1.800 -6.428 1.00 0.00 O ATOM 0 H GLU A 40 74.469 -2.248 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 40 75.583 -3.625 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 40 76.433 -4.011 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.041 -4.916 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.403 -1.925 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.589 -3.134 -3.746 1.00 0.00 H new ATOM 627 N HIS A 41 74.291 -5.728 -5.568 1.00 0.00 N ATOM 628 CA HIS A 41 73.546 -6.942 -5.262 1.00 0.00 C ATOM 629 C HIS A 41 74.512 -8.017 -4.789 1.00 0.00 C ATOM 630 O HIS A 41 75.158 -8.687 -5.597 1.00 0.00 O ATOM 631 CB HIS A 41 72.754 -7.439 -6.478 1.00 0.00 C ATOM 632 CG HIS A 41 71.420 -6.774 -6.639 1.00 0.00 C ATOM 633 ND1 HIS A 41 70.531 -7.094 -7.642 1.00 0.00 N ATOM 634 CD2 HIS A 41 70.816 -5.812 -5.901 1.00 0.00 C ATOM 635 CE1 HIS A 41 69.442 -6.360 -7.512 1.00 0.00 C ATOM 636 NE2 HIS A 41 69.587 -5.572 -6.462 1.00 0.00 N ATOM 0 H HIS A 41 74.741 -5.731 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 41 72.828 -6.717 -4.474 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.345 -7.272 -7.379 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.606 -8.515 -6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 41 71.227 -5.323 -5.030 1.00 0.00 H new ATOM 0 HE1 HIS A 41 68.576 -6.397 -8.157 1.00 0.00 H new ATOM 0 HE2 HIS A 41 68.900 -4.898 -6.125 1.00 0.00 H new ATOM 645 N LEU A 42 74.625 -8.161 -3.480 1.00 0.00 N ATOM 646 CA LEU A 42 75.597 -9.069 -2.898 1.00 0.00 C ATOM 647 C LEU A 42 75.094 -10.499 -2.944 1.00 0.00 C ATOM 648 O LEU A 42 74.124 -10.855 -2.273 1.00 0.00 O ATOM 649 CB LEU A 42 75.920 -8.677 -1.454 1.00 0.00 C ATOM 650 CG LEU A 42 76.593 -7.318 -1.271 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.885 -7.070 0.200 1.00 0.00 C ATOM 652 CD2 LEU A 42 77.870 -7.241 -2.097 1.00 0.00 C ATOM 0 H LEU A 42 74.054 -7.660 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 42 76.510 -8.998 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.994 -8.683 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.566 -9.443 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 42 75.914 -6.541 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.365 -6.098 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.952 -7.084 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.548 -7.849 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.337 -6.266 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.558 -8.023 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.630 -7.378 -3.151 1.00 0.00 H new ATOM 664 N HIS A 43 75.747 -11.310 -3.756 1.00 0.00 N ATOM 665 CA HIS A 43 75.456 -12.733 -3.816 1.00 0.00 C ATOM 666 C HIS A 43 76.129 -13.453 -2.654 1.00 0.00 C ATOM 667 O HIS A 43 77.180 -14.071 -2.807 1.00 0.00 O ATOM 668 CB HIS A 43 75.887 -13.330 -5.169 1.00 0.00 C ATOM 669 CG HIS A 43 77.123 -12.709 -5.754 1.00 0.00 C ATOM 670 ND1 HIS A 43 77.078 -11.734 -6.727 1.00 0.00 N ATOM 671 CD2 HIS A 43 78.436 -12.918 -5.498 1.00 0.00 C ATOM 672 CE1 HIS A 43 78.305 -11.370 -7.041 1.00 0.00 C ATOM 673 NE2 HIS A 43 79.147 -12.071 -6.310 1.00 0.00 N ATOM 0 H HIS A 43 76.488 -11.006 -4.388 1.00 0.00 H new ATOM 0 HA HIS A 43 74.378 -12.872 -3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 43 76.057 -14.399 -5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 43 75.068 -13.219 -5.879 1.00 0.00 H new ATOM 0 HD2 HIS A 43 78.847 -13.620 -4.788 1.00 0.00 H new ATOM 0 HE1 HIS A 43 78.574 -10.624 -7.773 1.00 0.00 H new ATOM 0 HE2 HIS A 43 80.164 -11.996 -6.342 1.00 0.00 H new ATOM 682 N SER A 44 75.527 -13.328 -1.484 1.00 0.00 N ATOM 683 CA SER A 44 76.058 -13.921 -0.274 1.00 0.00 C ATOM 684 C SER A 44 74.929 -14.546 0.529 1.00 0.00 C ATOM 685 O SER A 44 73.755 -14.387 0.194 1.00 0.00 O ATOM 686 CB SER A 44 76.784 -12.854 0.557 1.00 0.00 C ATOM 687 OG SER A 44 77.355 -13.410 1.732 1.00 0.00 O ATOM 0 H SER A 44 74.657 -12.813 -1.349 1.00 0.00 H new ATOM 0 HA SER A 44 76.773 -14.700 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.566 -12.392 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.083 -12.065 0.830 1.00 0.00 H new ATOM 0 HG SER A 44 77.171 -12.823 2.495 1.00 0.00 H new ATOM 693 N ALA A 45 75.288 -15.260 1.578 1.00 0.00 N ATOM 694 CA ALA A 45 74.308 -15.874 2.452 1.00 0.00 C ATOM 695 C ALA A 45 74.114 -15.012 3.687 1.00 0.00 C ATOM 696 O ALA A 45 73.103 -15.106 4.382 1.00 0.00 O ATOM 697 CB ALA A 45 74.746 -17.279 2.838 1.00 0.00 C ATOM 0 H ALA A 45 76.257 -15.430 1.847 1.00 0.00 H new ATOM 0 HA ALA A 45 73.357 -15.951 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.999 -17.726 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 45 74.850 -17.887 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.703 -17.232 3.357 1.00 0.00 H new ATOM 703 N THR A 46 75.086 -14.147 3.931 1.00 0.00 N ATOM 704 CA THR A 46 75.057 -13.276 5.092 1.00 0.00 C ATOM 705 C THR A 46 74.378 -11.954 4.758 1.00 0.00 C ATOM 706 O THR A 46 73.379 -11.582 5.369 1.00 0.00 O ATOM 707 CB THR A 46 76.481 -13.004 5.603 1.00 0.00 C ATOM 708 OG1 THR A 46 77.334 -12.681 4.496 1.00 0.00 O ATOM 709 CG2 THR A 46 77.038 -14.211 6.344 1.00 0.00 C ATOM 0 H THR A 46 75.907 -14.030 3.337 1.00 0.00 H new ATOM 0 HA THR A 46 74.488 -13.782 5.872 1.00 0.00 H new ATOM 0 HB THR A 46 76.442 -12.165 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.484 -11.713 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 46 78.046 -13.990 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 46 76.400 -14.440 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.067 -15.069 5.672 1.00 0.00 H new ATOM 717 N TYR A 47 74.900 -11.275 3.751 1.00 0.00 N ATOM 718 CA TYR A 47 74.389 -9.972 3.363 1.00 0.00 C ATOM 719 C TYR A 47 73.838 -10.037 1.952 1.00 0.00 C ATOM 720 O TYR A 47 74.404 -10.720 1.099 1.00 0.00 O ATOM 721 CB TYR A 47 75.492 -8.915 3.429 1.00 0.00 C ATOM 722 CG TYR A 47 76.141 -8.773 4.787 1.00 0.00 C ATOM 723 CD1 TYR A 47 75.446 -8.232 5.862 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.457 -9.167 4.988 1.00 0.00 C ATOM 725 CE1 TYR A 47 76.046 -8.086 7.098 1.00 0.00 C ATOM 726 CE2 TYR A 47 78.061 -9.029 6.221 1.00 0.00 C ATOM 727 CZ TYR A 47 77.354 -8.488 7.271 1.00 0.00 C ATOM 728 OH TYR A 47 77.961 -8.342 8.495 1.00 0.00 O ATOM 0 H TYR A 47 75.681 -11.607 3.185 1.00 0.00 H new ATOM 0 HA TYR A 47 73.595 -9.694 4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.260 -9.163 2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 47 75.073 -7.952 3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 47 74.420 -7.921 5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 47 78.017 -9.588 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 47 75.495 -7.660 7.923 1.00 0.00 H new ATOM 0 HE2 TYR A 47 79.084 -9.344 6.362 1.00 0.00 H new ATOM 0 HH TYR A 47 78.881 -8.676 8.446 1.00 0.00 H new ATOM 738 N ASP A 48 72.746 -9.330 1.707 1.00 0.00 N ATOM 739 CA ASP A 48 72.108 -9.359 0.400 1.00 0.00 C ATOM 740 C ASP A 48 72.438 -8.094 -0.386 1.00 0.00 C ATOM 741 O ASP A 48 72.522 -8.114 -1.615 1.00 0.00 O ATOM 742 CB ASP A 48 70.584 -9.487 0.537 1.00 0.00 C ATOM 743 CG ASP A 48 70.129 -10.680 1.365 1.00 0.00 C ATOM 744 OD1 ASP A 48 70.965 -11.532 1.737 1.00 0.00 O ATOM 745 OD2 ASP A 48 68.921 -10.755 1.675 1.00 0.00 O ATOM 0 H ASP A 48 72.285 -8.732 2.392 1.00 0.00 H new ATOM 0 HA ASP A 48 72.491 -10.228 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.193 -8.575 0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.146 -9.562 -0.458 1.00 0.00 H new ATOM 750 N TYR A 49 72.629 -6.985 0.318 1.00 0.00 N ATOM 751 CA TYR A 49 72.830 -5.702 -0.345 1.00 0.00 C ATOM 752 C TYR A 49 73.967 -4.918 0.292 1.00 0.00 C ATOM 753 O TYR A 49 74.241 -5.057 1.485 1.00 0.00 O ATOM 754 CB TYR A 49 71.553 -4.855 -0.280 1.00 0.00 C ATOM 755 CG TYR A 49 70.318 -5.567 -0.777 1.00 0.00 C ATOM 756 CD1 TYR A 49 70.017 -5.621 -2.132 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.456 -6.191 0.113 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.890 -6.279 -2.583 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.329 -6.851 -0.331 1.00 0.00 C ATOM 760 CZ TYR A 49 68.049 -6.893 -1.676 1.00 0.00 C ATOM 761 OH TYR A 49 66.919 -7.544 -2.114 1.00 0.00 O ATOM 0 H TYR A 49 72.649 -6.947 1.337 1.00 0.00 H new ATOM 0 HA TYR A 49 73.083 -5.915 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.389 -4.542 0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.700 -3.949 -0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.674 -5.142 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.671 -6.160 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.667 -6.313 -3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.669 -7.333 0.375 1.00 0.00 H new ATOM 0 HH TYR A 49 66.569 -8.111 -1.395 1.00 0.00 H new ATOM 771 N ALA A 50 74.620 -4.090 -0.512 1.00 0.00 N ATOM 772 CA ALA A 50 75.621 -3.163 -0.010 1.00 0.00 C ATOM 773 C ALA A 50 75.098 -1.747 -0.154 1.00 0.00 C ATOM 774 O ALA A 50 74.826 -1.280 -1.267 1.00 0.00 O ATOM 775 CB ALA A 50 76.943 -3.331 -0.743 1.00 0.00 C ATOM 0 H ALA A 50 74.472 -4.043 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 50 75.808 -3.375 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.672 -2.624 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.310 -4.348 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.796 -3.141 -1.806 1.00 0.00 H new ATOM 781 N VAL A 51 74.927 -1.085 0.971 1.00 0.00 N ATOM 782 CA VAL A 51 74.330 0.232 0.996 1.00 0.00 C ATOM 783 C VAL A 51 75.400 1.304 1.077 1.00 0.00 C ATOM 784 O VAL A 51 76.315 1.219 1.895 1.00 0.00 O ATOM 785 CB VAL A 51 73.362 0.375 2.188 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.720 1.754 2.210 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.299 -0.707 2.135 1.00 0.00 C ATOM 0 H VAL A 51 75.196 -1.442 1.888 1.00 0.00 H new ATOM 0 HA VAL A 51 73.769 0.359 0.070 1.00 0.00 H new ATOM 0 HB VAL A 51 73.935 0.258 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.043 1.826 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.495 2.515 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.161 1.910 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.622 -0.594 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.735 -0.618 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.775 -1.687 2.178 1.00 0.00 H new ATOM 797 N SER A 52 75.297 2.295 0.211 1.00 0.00 N ATOM 798 CA SER A 52 76.184 3.432 0.264 1.00 0.00 C ATOM 799 C SER A 52 75.571 4.485 1.176 1.00 0.00 C ATOM 800 O SER A 52 74.641 5.197 0.785 1.00 0.00 O ATOM 801 CB SER A 52 76.421 3.991 -1.139 1.00 0.00 C ATOM 802 OG SER A 52 77.376 5.035 -1.122 1.00 0.00 O ATOM 0 H SER A 52 74.605 2.331 -0.537 1.00 0.00 H new ATOM 0 HA SER A 52 77.152 3.129 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 52 76.763 3.193 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 52 75.481 4.361 -1.549 1.00 0.00 H new ATOM 0 HG SER A 52 77.508 5.372 -2.033 1.00 0.00 H new ATOM 808 N ASP A 53 76.068 4.533 2.403 1.00 0.00 N ATOM 809 CA ASP A 53 75.554 5.426 3.429 1.00 0.00 C ATOM 810 C ASP A 53 75.678 6.881 3.003 1.00 0.00 C ATOM 811 O ASP A 53 76.595 7.251 2.267 1.00 0.00 O ATOM 812 CB ASP A 53 76.313 5.213 4.740 1.00 0.00 C ATOM 813 CG ASP A 53 76.137 3.815 5.307 1.00 0.00 C ATOM 814 OD1 ASP A 53 76.802 2.880 4.819 1.00 0.00 O ATOM 815 OD2 ASP A 53 75.344 3.658 6.253 1.00 0.00 O ATOM 0 H ASP A 53 76.844 3.950 2.716 1.00 0.00 H new ATOM 0 HA ASP A 53 74.499 5.196 3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 53 77.374 5.401 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.971 5.943 5.474 1.00 0.00 H new ATOM 820 N GLU A 54 74.758 7.702 3.487 1.00 0.00 N ATOM 821 CA GLU A 54 74.749 9.129 3.184 1.00 0.00 C ATOM 822 C GLU A 54 76.052 9.793 3.627 1.00 0.00 C ATOM 823 O GLU A 54 76.489 10.784 3.042 1.00 0.00 O ATOM 824 CB GLU A 54 73.557 9.793 3.876 1.00 0.00 C ATOM 825 CG GLU A 54 73.577 9.643 5.390 1.00 0.00 C ATOM 826 CD GLU A 54 72.353 10.232 6.054 1.00 0.00 C ATOM 827 OE1 GLU A 54 72.110 11.448 5.887 1.00 0.00 O ATOM 828 OE2 GLU A 54 71.638 9.489 6.758 1.00 0.00 O ATOM 0 H GLU A 54 73.999 7.402 4.098 1.00 0.00 H new ATOM 0 HA GLU A 54 74.658 9.254 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.544 10.853 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.634 9.362 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 54 73.649 8.586 5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 54 74.469 10.128 5.787 1.00 0.00 H new ATOM 835 N THR A 55 76.680 9.219 4.642 1.00 0.00 N ATOM 836 CA THR A 55 77.896 9.767 5.217 1.00 0.00 C ATOM 837 C THR A 55 79.130 9.379 4.405 1.00 0.00 C ATOM 838 O THR A 55 80.253 9.743 4.753 1.00 0.00 O ATOM 839 CB THR A 55 78.059 9.284 6.664 1.00 0.00 C ATOM 840 OG1 THR A 55 77.756 7.883 6.735 1.00 0.00 O ATOM 841 CG2 THR A 55 77.142 10.054 7.601 1.00 0.00 C ATOM 0 H THR A 55 76.360 8.360 5.089 1.00 0.00 H new ATOM 0 HA THR A 55 77.808 10.853 5.199 1.00 0.00 H new ATOM 0 HB THR A 55 79.089 9.457 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 55 78.533 7.398 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.277 9.693 8.620 1.00 0.00 H new ATOM 0 HG22 THR A 55 77.385 11.116 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 55 76.105 9.907 7.298 1.00 0.00 H new ATOM 849 N GLY A 56 78.920 8.638 3.325 1.00 0.00 N ATOM 850 CA GLY A 56 80.024 8.234 2.477 1.00 0.00 C ATOM 851 C GLY A 56 80.514 6.838 2.792 1.00 0.00 C ATOM 852 O GLY A 56 81.446 6.340 2.159 1.00 0.00 O ATOM 0 H GLY A 56 78.004 8.309 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.712 8.280 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.846 8.940 2.595 1.00 0.00 H new ATOM 856 N ASP A 57 79.886 6.208 3.771 1.00 0.00 N ATOM 857 CA ASP A 57 80.246 4.854 4.165 1.00 0.00 C ATOM 858 C ASP A 57 79.606 3.837 3.230 1.00 0.00 C ATOM 859 O ASP A 57 78.764 4.183 2.399 1.00 0.00 O ATOM 860 CB ASP A 57 79.801 4.568 5.605 1.00 0.00 C ATOM 861 CG ASP A 57 80.515 5.418 6.637 1.00 0.00 C ATOM 862 OD1 ASP A 57 81.603 5.012 7.101 1.00 0.00 O ATOM 863 OD2 ASP A 57 79.983 6.489 7.004 1.00 0.00 O ATOM 0 H ASP A 57 79.121 6.614 4.310 1.00 0.00 H new ATOM 0 HA ASP A 57 81.331 4.768 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 57 78.727 4.738 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.975 3.516 5.829 1.00 0.00 H new ATOM 868 N ILE A 58 80.030 2.590 3.345 1.00 0.00 N ATOM 869 CA ILE A 58 79.408 1.495 2.620 1.00 0.00 C ATOM 870 C ILE A 58 79.190 0.326 3.570 1.00 0.00 C ATOM 871 O ILE A 58 80.139 -0.372 3.945 1.00 0.00 O ATOM 872 CB ILE A 58 80.254 1.035 1.409 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.468 2.197 0.431 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.579 -0.136 0.705 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.303 1.838 -0.779 1.00 0.00 C ATOM 0 H ILE A 58 80.810 2.309 3.939 1.00 0.00 H new ATOM 0 HA ILE A 58 78.455 1.852 2.230 1.00 0.00 H new ATOM 0 HB ILE A 58 81.228 0.707 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.496 2.559 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 58 80.949 3.020 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.186 -0.448 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.474 -0.968 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.593 0.170 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.408 2.713 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.289 1.505 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.814 1.037 -1.334 1.00 0.00 H new ATOM 887 N THR A 59 77.948 0.127 3.976 1.00 0.00 N ATOM 888 CA THR A 59 77.622 -0.892 4.953 1.00 0.00 C ATOM 889 C THR A 59 76.798 -2.005 4.307 1.00 0.00 C ATOM 890 O THR A 59 75.901 -1.744 3.502 1.00 0.00 O ATOM 891 CB THR A 59 76.847 -0.283 6.138 1.00 0.00 C ATOM 892 OG1 THR A 59 77.479 0.940 6.557 1.00 0.00 O ATOM 893 CG2 THR A 59 76.802 -1.249 7.314 1.00 0.00 C ATOM 0 H THR A 59 77.147 0.662 3.641 1.00 0.00 H new ATOM 0 HA THR A 59 78.554 -1.314 5.328 1.00 0.00 H new ATOM 0 HB THR A 59 75.828 -0.082 5.809 1.00 0.00 H new ATOM 0 HG1 THR A 59 77.170 1.678 5.992 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.250 -0.795 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.306 -2.171 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 59 77.818 -1.474 7.639 1.00 0.00 H new ATOM 901 N TYR A 60 77.116 -3.244 4.647 1.00 0.00 N ATOM 902 CA TYR A 60 76.430 -4.389 4.069 1.00 0.00 C ATOM 903 C TYR A 60 75.219 -4.758 4.919 1.00 0.00 C ATOM 904 O TYR A 60 75.328 -4.871 6.140 1.00 0.00 O ATOM 905 CB TYR A 60 77.381 -5.584 3.971 1.00 0.00 C ATOM 906 CG TYR A 60 78.766 -5.228 3.473 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.970 -4.784 2.170 1.00 0.00 C ATOM 908 CD2 TYR A 60 79.872 -5.330 4.310 1.00 0.00 C ATOM 909 CE1 TYR A 60 80.235 -4.453 1.720 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.136 -5.001 3.865 1.00 0.00 C ATOM 911 CZ TYR A 60 81.313 -4.564 2.571 1.00 0.00 C ATOM 912 OH TYR A 60 82.574 -4.236 2.131 1.00 0.00 O ATOM 0 H TYR A 60 77.844 -3.483 5.320 1.00 0.00 H new ATOM 0 HA TYR A 60 76.094 -4.124 3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.467 -6.048 4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 60 76.946 -6.328 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.127 -4.697 1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.739 -5.673 5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.377 -4.109 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 60 81.983 -5.086 4.529 1.00 0.00 H new ATOM 0 HH TYR A 60 83.219 -4.370 2.857 1.00 0.00 H new ATOM 922 N PHE A 61 74.077 -4.943 4.274 1.00 0.00 N ATOM 923 CA PHE A 61 72.846 -5.285 4.972 1.00 0.00 C ATOM 924 C PHE A 61 72.130 -6.430 4.273 1.00 0.00 C ATOM 925 O PHE A 61 72.618 -6.970 3.278 1.00 0.00 O ATOM 926 CB PHE A 61 71.912 -4.075 5.063 1.00 0.00 C ATOM 927 CG PHE A 61 72.364 -3.030 6.043 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.199 -3.224 7.407 1.00 0.00 C ATOM 929 CD2 PHE A 61 72.940 -1.850 5.603 1.00 0.00 C ATOM 930 CE1 PHE A 61 72.604 -2.261 8.312 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.348 -0.885 6.505 1.00 0.00 C ATOM 932 CZ PHE A 61 73.178 -1.090 7.860 1.00 0.00 C ATOM 0 H PHE A 61 73.977 -4.861 3.262 1.00 0.00 H new ATOM 0 HA PHE A 61 73.116 -5.597 5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.825 -3.620 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 61 70.916 -4.417 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 61 71.749 -4.138 7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.072 -1.682 4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 61 72.472 -2.425 9.371 1.00 0.00 H new ATOM 0 HE2 PHE A 61 73.800 0.029 6.150 1.00 0.00 H new ATOM 0 HZ PHE A 61 73.494 -0.335 8.565 1.00 0.00 H new ATOM 942 N LYS A 62 70.969 -6.790 4.791 1.00 0.00 N ATOM 943 CA LYS A 62 70.191 -7.879 4.234 1.00 0.00 C ATOM 944 C LYS A 62 68.801 -7.368 3.846 1.00 0.00 C ATOM 945 O LYS A 62 68.426 -6.252 4.215 1.00 0.00 O ATOM 946 CB LYS A 62 70.110 -9.022 5.248 1.00 0.00 C ATOM 947 CG LYS A 62 69.915 -10.384 4.617 1.00 0.00 C ATOM 948 CD LYS A 62 70.044 -11.499 5.637 1.00 0.00 C ATOM 949 CE LYS A 62 70.106 -12.859 4.962 1.00 0.00 C ATOM 950 NZ LYS A 62 71.224 -12.937 3.986 1.00 0.00 N ATOM 0 H LYS A 62 70.543 -6.340 5.601 1.00 0.00 H new ATOM 0 HA LYS A 62 70.672 -8.262 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 62 71.024 -9.034 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 62 69.286 -8.829 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 62 68.932 -10.431 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 62 70.651 -10.527 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.942 -11.346 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 62 69.196 -11.469 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 62 70.228 -13.635 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 62 69.163 -13.056 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 71.589 -13.910 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 70.881 -12.663 3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 71.986 -12.292 4.278 1.00 0.00 H new ATOM 964 N GLU A 63 68.048 -8.177 3.101 1.00 0.00 N ATOM 965 CA GLU A 63 66.751 -7.758 2.552 1.00 0.00 C ATOM 966 C GLU A 63 65.791 -7.199 3.605 1.00 0.00 C ATOM 967 O GLU A 63 65.036 -6.267 3.330 1.00 0.00 O ATOM 968 CB GLU A 63 66.074 -8.919 1.814 1.00 0.00 C ATOM 969 CG GLU A 63 65.874 -10.154 2.676 1.00 0.00 C ATOM 970 CD GLU A 63 64.981 -11.190 2.028 1.00 0.00 C ATOM 971 OE1 GLU A 63 65.406 -11.826 1.042 1.00 0.00 O ATOM 972 OE2 GLU A 63 63.847 -11.377 2.500 1.00 0.00 O ATOM 0 H GLU A 63 68.313 -9.132 2.861 1.00 0.00 H new ATOM 0 HA GLU A 63 66.974 -6.948 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.105 -8.586 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.675 -9.186 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.844 -10.602 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.442 -9.857 3.632 1.00 0.00 H new ATOM 979 N HIS A 64 65.824 -7.745 4.806 1.00 0.00 N ATOM 980 CA HIS A 64 64.849 -7.362 5.825 1.00 0.00 C ATOM 981 C HIS A 64 65.430 -6.360 6.821 1.00 0.00 C ATOM 982 O HIS A 64 64.804 -6.038 7.832 1.00 0.00 O ATOM 983 CB HIS A 64 64.270 -8.595 6.541 1.00 0.00 C ATOM 984 CG HIS A 64 65.277 -9.532 7.148 1.00 0.00 C ATOM 985 ND1 HIS A 64 65.433 -9.690 8.507 1.00 0.00 N ATOM 986 CD2 HIS A 64 66.143 -10.404 6.573 1.00 0.00 C ATOM 987 CE1 HIS A 64 66.348 -10.612 8.741 1.00 0.00 C ATOM 988 NE2 HIS A 64 66.794 -11.066 7.584 1.00 0.00 N ATOM 0 H HIS A 64 66.503 -8.446 5.103 1.00 0.00 H new ATOM 0 HA HIS A 64 64.027 -6.863 5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.599 -8.252 7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 64 63.665 -9.155 5.828 1.00 0.00 H new ATOM 0 HD1 HIS A 64 64.921 -9.174 9.222 1.00 0.00 H new ATOM 0 HD2 HIS A 64 66.293 -10.550 5.514 1.00 0.00 H new ATOM 0 HE1 HIS A 64 66.677 -10.940 9.716 1.00 0.00 H new ATOM 997 N GLU A 65 66.610 -5.847 6.509 1.00 0.00 N ATOM 998 CA GLU A 65 67.256 -4.839 7.342 1.00 0.00 C ATOM 999 C GLU A 65 67.087 -3.454 6.728 1.00 0.00 C ATOM 1000 O GLU A 65 67.361 -2.438 7.367 1.00 0.00 O ATOM 1001 CB GLU A 65 68.748 -5.149 7.500 1.00 0.00 C ATOM 1002 CG GLU A 65 69.073 -6.189 8.569 1.00 0.00 C ATOM 1003 CD GLU A 65 68.271 -7.469 8.441 1.00 0.00 C ATOM 1004 OE1 GLU A 65 68.228 -8.051 7.337 1.00 0.00 O ATOM 1005 OE2 GLU A 65 67.662 -7.887 9.449 1.00 0.00 O ATOM 0 H GLU A 65 67.144 -6.112 5.681 1.00 0.00 H new ATOM 0 HA GLU A 65 66.782 -4.856 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.136 -5.498 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.274 -4.225 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 65 70.135 -6.430 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 65 68.892 -5.755 9.552 1.00 0.00 H new ATOM 1012 N LEU A 66 66.624 -3.420 5.486 1.00 0.00 N ATOM 1013 CA LEU A 66 66.523 -2.173 4.744 1.00 0.00 C ATOM 1014 C LEU A 66 65.077 -1.823 4.435 1.00 0.00 C ATOM 1015 O LEU A 66 64.249 -2.705 4.190 1.00 0.00 O ATOM 1016 CB LEU A 66 67.316 -2.273 3.443 1.00 0.00 C ATOM 1017 CG LEU A 66 68.818 -2.486 3.617 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.482 -2.712 2.269 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.439 -1.294 4.329 1.00 0.00 C ATOM 0 H LEU A 66 66.312 -4.244 4.971 1.00 0.00 H new ATOM 0 HA LEU A 66 66.938 -1.381 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.914 -3.096 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 66 67.158 -1.361 2.868 1.00 0.00 H new ATOM 0 HG LEU A 66 68.977 -3.374 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.552 -2.862 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.052 -3.594 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.319 -1.842 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.510 -1.458 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.273 -0.392 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.980 -1.177 5.311 1.00 0.00 H new ATOM 1031 N THR A 67 64.780 -0.534 4.452 1.00 0.00 N ATOM 1032 CA THR A 67 63.460 -0.045 4.103 1.00 0.00 C ATOM 1033 C THR A 67 63.583 1.145 3.155 1.00 0.00 C ATOM 1034 O THR A 67 64.219 2.138 3.489 1.00 0.00 O ATOM 1035 CB THR A 67 62.673 0.357 5.367 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.498 -0.791 6.209 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.313 0.930 5.008 1.00 0.00 C ATOM 0 H THR A 67 65.444 0.197 4.707 1.00 0.00 H new ATOM 0 HA THR A 67 62.913 -0.845 3.603 1.00 0.00 H new ATOM 0 HB THR A 67 63.242 1.124 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 67 61.868 -0.576 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.782 1.204 5.919 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.444 1.814 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.736 0.183 4.462 1.00 0.00 H new ATOM 1045 N PRO A 68 63.002 1.047 1.946 1.00 0.00 N ATOM 1046 CA PRO A 68 63.071 2.116 0.942 1.00 0.00 C ATOM 1047 C PRO A 68 62.489 3.432 1.450 1.00 0.00 C ATOM 1048 O PRO A 68 61.563 3.442 2.269 1.00 0.00 O ATOM 1049 CB PRO A 68 62.238 1.580 -0.229 1.00 0.00 C ATOM 1050 CG PRO A 68 61.419 0.473 0.343 1.00 0.00 C ATOM 1051 CD PRO A 68 62.237 -0.111 1.457 1.00 0.00 C ATOM 0 HA PRO A 68 64.102 2.344 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.604 2.360 -0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.878 1.220 -1.034 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.464 0.845 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 68 61.196 -0.279 -0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.609 -0.539 2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.892 -0.907 1.103 1.00 0.00 H new ATOM 1059 N LEU A 69 63.038 4.541 0.970 1.00 0.00 N ATOM 1060 CA LEU A 69 62.568 5.856 1.375 1.00 0.00 C ATOM 1061 C LEU A 69 61.143 6.090 0.887 1.00 0.00 C ATOM 1062 O LEU A 69 60.727 5.553 -0.142 1.00 0.00 O ATOM 1063 CB LEU A 69 63.515 6.945 0.870 1.00 0.00 C ATOM 1064 CG LEU A 69 64.907 6.910 1.505 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.789 8.006 0.935 1.00 0.00 C ATOM 1066 CD2 LEU A 69 64.803 7.042 3.019 1.00 0.00 C ATOM 0 H LEU A 69 63.808 4.554 0.301 1.00 0.00 H new ATOM 0 HA LEU A 69 62.559 5.901 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.618 6.848 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 63.065 7.919 1.061 1.00 0.00 H new ATOM 0 HG LEU A 69 65.365 5.949 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.773 7.961 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.891 7.868 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.337 8.978 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.801 7.015 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.322 7.988 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.211 6.218 3.416 1.00 0.00 H new ATOM 1078 N LYS A 70 60.399 6.891 1.634 1.00 0.00 N ATOM 1079 CA LYS A 70 58.959 6.996 1.446 1.00 0.00 C ATOM 1080 C LYS A 70 58.585 8.025 0.380 1.00 0.00 C ATOM 1081 O LYS A 70 58.158 9.138 0.698 1.00 0.00 O ATOM 1082 CB LYS A 70 58.289 7.349 2.775 1.00 0.00 C ATOM 1083 CG LYS A 70 58.708 6.440 3.921 1.00 0.00 C ATOM 1084 CD LYS A 70 58.376 4.986 3.630 1.00 0.00 C ATOM 1085 CE LYS A 70 58.948 4.061 4.691 1.00 0.00 C ATOM 1086 NZ LYS A 70 60.437 4.076 4.706 1.00 0.00 N ATOM 0 H LYS A 70 60.770 7.480 2.379 1.00 0.00 H new ATOM 0 HA LYS A 70 58.602 6.027 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 70 58.529 8.381 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 70 57.207 7.294 2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 70 59.779 6.542 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 70 58.206 6.753 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 70 57.294 4.861 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 58.772 4.710 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 70 58.573 4.359 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 70 58.598 3.044 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 60.784 3.393 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 60.796 3.816 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 60.772 5.029 4.954 1.00 0.00 H new ATOM 1100 N GLY A 71 58.765 7.652 -0.881 1.00 0.00 N ATOM 1101 CA GLY A 71 58.334 8.493 -1.986 1.00 0.00 C ATOM 1102 C GLY A 71 59.251 9.677 -2.238 1.00 0.00 C ATOM 1103 O GLY A 71 59.932 9.738 -3.260 1.00 0.00 O ATOM 0 H GLY A 71 59.205 6.776 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 71 58.276 7.889 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 71 57.328 8.859 -1.783 1.00 0.00 H new ATOM 1107 N GLY A 72 59.258 10.619 -1.308 1.00 0.00 N ATOM 1108 CA GLY A 72 60.044 11.825 -1.467 1.00 0.00 C ATOM 1109 C GLY A 72 59.178 13.064 -1.383 1.00 0.00 C ATOM 1110 O GLY A 72 59.575 14.070 -0.795 1.00 0.00 O ATOM 0 H GLY A 72 58.728 10.569 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 72 60.813 11.864 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 72 60.557 11.802 -2.428 1.00 0.00 H new ATOM 1114 N LEU A 73 57.987 12.976 -1.982 1.00 0.00 N ATOM 1115 CA LEU A 73 56.989 14.053 -1.942 1.00 0.00 C ATOM 1116 C LEU A 73 57.545 15.363 -2.501 1.00 0.00 C ATOM 1117 O LEU A 73 57.137 16.449 -2.088 1.00 0.00 O ATOM 1118 CB LEU A 73 56.465 14.267 -0.512 1.00 0.00 C ATOM 1119 CG LEU A 73 55.414 13.256 -0.022 1.00 0.00 C ATOM 1120 CD1 LEU A 73 54.234 13.207 -0.980 1.00 0.00 C ATOM 1121 CD2 LEU A 73 56.018 11.871 0.155 1.00 0.00 C ATOM 0 H LEU A 73 57.686 12.156 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 73 56.159 13.743 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 57.313 14.240 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.036 15.267 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 73 55.058 13.590 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 73 53.501 12.487 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 53.774 14.193 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 73 54.580 12.906 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 73 55.249 11.180 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 73 56.415 11.523 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 73 56.823 11.916 0.889 1.00 0.00 H new ATOM 1133 N ALA A 74 58.457 15.257 -3.458 1.00 0.00 N ATOM 1134 CA ALA A 74 59.029 16.437 -4.089 1.00 0.00 C ATOM 1135 C ALA A 74 58.150 16.923 -5.237 1.00 0.00 C ATOM 1136 O ALA A 74 58.366 18.002 -5.787 1.00 0.00 O ATOM 1137 CB ALA A 74 60.441 16.153 -4.577 1.00 0.00 C ATOM 0 H ALA A 74 58.815 14.370 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 74 59.077 17.229 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 74 60.851 17.048 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 74 61.067 15.867 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 74 60.418 15.341 -5.304 1.00 0.00 H new ATOM 1143 N TYR A 75 57.150 16.121 -5.590 1.00 0.00 N ATOM 1144 CA TYR A 75 56.217 16.484 -6.649 1.00 0.00 C ATOM 1145 C TYR A 75 55.153 17.445 -6.124 1.00 0.00 C ATOM 1146 O TYR A 75 53.980 17.090 -6.008 1.00 0.00 O ATOM 1147 CB TYR A 75 55.547 15.241 -7.241 1.00 0.00 C ATOM 1148 CG TYR A 75 56.492 14.330 -7.996 1.00 0.00 C ATOM 1149 CD1 TYR A 75 56.858 14.614 -9.307 1.00 0.00 C ATOM 1150 CD2 TYR A 75 57.009 13.185 -7.404 1.00 0.00 C ATOM 1151 CE1 TYR A 75 57.715 13.783 -10.004 1.00 0.00 C ATOM 1152 CE2 TYR A 75 57.866 12.349 -8.094 1.00 0.00 C ATOM 1153 CZ TYR A 75 58.214 12.653 -9.395 1.00 0.00 C ATOM 1154 OH TYR A 75 59.069 11.825 -10.086 1.00 0.00 O ATOM 0 H TYR A 75 56.966 15.216 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 75 56.785 16.980 -7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 75 55.080 14.675 -6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 75 54.749 15.557 -7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 75 56.466 15.498 -9.788 1.00 0.00 H new ATOM 0 HD2 TYR A 75 56.737 12.944 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 75 57.992 14.019 -11.021 1.00 0.00 H new ATOM 0 HE2 TYR A 75 58.261 11.463 -7.619 1.00 0.00 H new ATOM 0 HH TYR A 75 59.330 11.074 -9.514 1.00 0.00 H new ATOM 1164 N VAL A 76 55.584 18.646 -5.773 1.00 0.00 N ATOM 1165 CA VAL A 76 54.675 19.682 -5.305 1.00 0.00 C ATOM 1166 C VAL A 76 55.027 21.017 -5.965 1.00 0.00 C ATOM 1167 O VAL A 76 54.348 22.029 -5.780 1.00 0.00 O ATOM 1168 CB VAL A 76 54.726 19.810 -3.760 1.00 0.00 C ATOM 1169 CG1 VAL A 76 56.068 20.360 -3.298 1.00 0.00 C ATOM 1170 CG2 VAL A 76 53.580 20.665 -3.235 1.00 0.00 C ATOM 0 H VAL A 76 56.563 18.929 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 76 53.659 19.404 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 76 54.611 18.809 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 76 56.074 20.439 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 76 56.866 19.689 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 76 56.227 21.346 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 76 53.646 20.734 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 76 53.644 21.664 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 76 52.629 20.210 -3.513 1.00 0.00 H new ATOM 1180 N LEU A 77 56.086 21.004 -6.766 1.00 0.00 N ATOM 1181 CA LEU A 77 56.569 22.214 -7.413 1.00 0.00 C ATOM 1182 C LEU A 77 55.736 22.548 -8.647 1.00 0.00 C ATOM 1183 O LEU A 77 56.114 22.223 -9.774 1.00 0.00 O ATOM 1184 CB LEU A 77 58.051 22.090 -7.795 1.00 0.00 C ATOM 1185 CG LEU A 77 59.059 22.294 -6.653 1.00 0.00 C ATOM 1186 CD1 LEU A 77 58.969 21.176 -5.623 1.00 0.00 C ATOM 1187 CD2 LEU A 77 60.470 22.387 -7.208 1.00 0.00 C ATOM 0 H LEU A 77 56.626 20.166 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 77 56.467 23.027 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 77 58.214 21.102 -8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 77 58.266 22.817 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 77 58.811 23.229 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 59.696 21.352 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 57.966 21.153 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 77 59.181 20.221 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 77 61.174 22.531 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 77 60.714 21.466 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 77 60.536 23.230 -7.896 1.00 0.00 H new ATOM 1199 N GLU A 78 54.585 23.160 -8.417 1.00 0.00 N ATOM 1200 CA GLU A 78 53.740 23.647 -9.495 1.00 0.00 C ATOM 1201 C GLU A 78 52.958 24.855 -8.998 1.00 0.00 C ATOM 1202 O GLU A 78 52.238 24.771 -8.003 1.00 0.00 O ATOM 1203 CB GLU A 78 52.777 22.553 -9.977 1.00 0.00 C ATOM 1204 CG GLU A 78 52.535 22.560 -11.481 1.00 0.00 C ATOM 1205 CD GLU A 78 52.034 23.895 -12.003 1.00 0.00 C ATOM 1206 OE1 GLU A 78 52.863 24.805 -12.210 1.00 0.00 O ATOM 1207 OE2 GLU A 78 50.809 24.044 -12.199 1.00 0.00 O ATOM 0 H GLU A 78 54.212 23.332 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 78 54.367 23.932 -10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 78 53.174 21.580 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 78 51.822 22.672 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 78 53.463 22.303 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 78 51.809 21.785 -11.729 1.00 0.00 H new ATOM 1214 N HIS A 79 53.114 25.979 -9.679 1.00 0.00 N ATOM 1215 CA HIS A 79 52.461 27.218 -9.268 1.00 0.00 C ATOM 1216 C HIS A 79 51.671 27.812 -10.423 1.00 0.00 C ATOM 1217 O HIS A 79 51.242 28.964 -10.367 1.00 0.00 O ATOM 1218 CB HIS A 79 53.488 28.233 -8.756 1.00 0.00 C ATOM 1219 CG HIS A 79 54.216 27.777 -7.530 1.00 0.00 C ATOM 1220 ND1 HIS A 79 53.750 27.987 -6.250 1.00 0.00 N ATOM 1221 CD2 HIS A 79 55.384 27.107 -7.396 1.00 0.00 C ATOM 1222 CE1 HIS A 79 54.598 27.467 -5.384 1.00 0.00 C ATOM 1223 NE2 HIS A 79 55.595 26.928 -6.054 1.00 0.00 N ATOM 0 H HIS A 79 53.686 26.062 -10.519 1.00 0.00 H new ATOM 0 HA HIS A 79 51.774 26.983 -8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 79 54.212 28.435 -9.545 1.00 0.00 H new ATOM 0 HB3 HIS A 79 52.981 29.174 -8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 79 56.029 26.776 -8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 79 54.493 27.481 -4.309 1.00 0.00 H new ATOM 0 HE2 HIS A 79 56.397 26.453 -5.640 1.00 0.00 H new ATOM 1232 N HIS A 80 51.495 27.006 -11.466 1.00 0.00 N ATOM 1233 CA HIS A 80 50.696 27.361 -12.641 1.00 0.00 C ATOM 1234 C HIS A 80 51.420 28.369 -13.528 1.00 0.00 C ATOM 1235 O HIS A 80 51.710 28.075 -14.684 1.00 0.00 O ATOM 1236 CB HIS A 80 49.305 27.878 -12.242 1.00 0.00 C ATOM 1237 CG HIS A 80 48.497 26.893 -11.450 1.00 0.00 C ATOM 1238 ND1 HIS A 80 48.751 25.537 -11.434 1.00 0.00 N ATOM 1239 CD2 HIS A 80 47.440 27.081 -10.625 1.00 0.00 C ATOM 1240 CE1 HIS A 80 47.889 24.937 -10.639 1.00 0.00 C ATOM 1241 NE2 HIS A 80 47.081 25.848 -10.134 1.00 0.00 N ATOM 0 H HIS A 80 51.908 26.075 -11.522 1.00 0.00 H new ATOM 0 HA HIS A 80 50.557 26.449 -13.222 1.00 0.00 H new ATOM 0 HB2 HIS A 80 49.421 28.791 -11.658 1.00 0.00 H new ATOM 0 HB3 HIS A 80 48.754 28.144 -13.144 1.00 0.00 H new ATOM 0 HD1 HIS A 80 49.492 25.071 -11.957 1.00 0.00 H new ATOM 0 HD2 HIS A 80 46.967 28.024 -10.395 1.00 0.00 H new ATOM 0 HE1 HIS A 80 47.851 23.877 -10.435 1.00 0.00 H new ATOM 1250 N HIS A 81 51.717 29.548 -12.993 1.00 0.00 N ATOM 1251 CA HIS A 81 52.418 30.579 -13.755 1.00 0.00 C ATOM 1252 C HIS A 81 53.548 31.198 -12.935 1.00 0.00 C ATOM 1253 O HIS A 81 53.329 32.132 -12.162 1.00 0.00 O ATOM 1254 CB HIS A 81 51.455 31.685 -14.214 1.00 0.00 C ATOM 1255 CG HIS A 81 50.463 31.251 -15.251 1.00 0.00 C ATOM 1256 ND1 HIS A 81 50.595 31.537 -16.593 1.00 0.00 N ATOM 1257 CD2 HIS A 81 49.309 30.557 -15.132 1.00 0.00 C ATOM 1258 CE1 HIS A 81 49.565 31.038 -17.251 1.00 0.00 C ATOM 1259 NE2 HIS A 81 48.769 30.438 -16.387 1.00 0.00 N ATOM 0 H HIS A 81 51.484 29.815 -12.036 1.00 0.00 H new ATOM 0 HA HIS A 81 52.842 30.094 -14.634 1.00 0.00 H new ATOM 0 HB2 HIS A 81 50.914 32.062 -13.346 1.00 0.00 H new ATOM 0 HB3 HIS A 81 52.038 32.516 -14.612 1.00 0.00 H new ATOM 0 HD2 HIS A 81 48.889 30.168 -14.216 1.00 0.00 H new ATOM 0 HE1 HIS A 81 49.402 31.109 -18.316 1.00 0.00 H new ATOM 0 HE2 HIS A 81 47.895 29.963 -16.615 1.00 0.00 H new ATOM 1268 N HIS A 82 54.748 30.654 -13.085 1.00 0.00 N ATOM 1269 CA HIS A 82 55.935 31.212 -12.444 1.00 0.00 C ATOM 1270 C HIS A 82 57.175 30.882 -13.265 1.00 0.00 C ATOM 1271 O HIS A 82 57.907 31.771 -13.685 1.00 0.00 O ATOM 1272 CB HIS A 82 56.093 30.678 -11.015 1.00 0.00 C ATOM 1273 CG HIS A 82 57.224 31.311 -10.253 1.00 0.00 C ATOM 1274 ND1 HIS A 82 57.160 32.587 -9.738 1.00 0.00 N ATOM 1275 CD2 HIS A 82 58.449 30.837 -9.920 1.00 0.00 C ATOM 1276 CE1 HIS A 82 58.291 32.871 -9.122 1.00 0.00 C ATOM 1277 NE2 HIS A 82 59.090 31.827 -9.217 1.00 0.00 N ATOM 0 H HIS A 82 54.927 29.822 -13.648 1.00 0.00 H new ATOM 0 HA HIS A 82 55.816 32.294 -12.391 1.00 0.00 H new ATOM 0 HB2 HIS A 82 55.163 30.843 -10.471 1.00 0.00 H new ATOM 0 HB3 HIS A 82 56.252 29.600 -11.055 1.00 0.00 H new ATOM 0 HD2 HIS A 82 58.847 29.863 -10.162 1.00 0.00 H new ATOM 0 HE1 HIS A 82 58.523 33.801 -8.624 1.00 0.00 H new ATOM 0 HE2 HIS A 82 60.032 31.765 -8.831 1.00 0.00 H new ATOM 1286 N HIS A 83 57.400 29.594 -13.491 1.00 0.00 N ATOM 1287 CA HIS A 83 58.538 29.149 -14.290 1.00 0.00 C ATOM 1288 C HIS A 83 58.068 28.845 -15.707 1.00 0.00 C ATOM 1289 O HIS A 83 58.860 28.761 -16.646 1.00 0.00 O ATOM 1290 CB HIS A 83 59.179 27.909 -13.658 1.00 0.00 C ATOM 1291 CG HIS A 83 60.498 27.533 -14.264 1.00 0.00 C ATOM 1292 ND1 HIS A 83 60.712 26.358 -14.955 1.00 0.00 N ATOM 1293 CD2 HIS A 83 61.686 28.181 -14.258 1.00 0.00 C ATOM 1294 CE1 HIS A 83 61.973 26.304 -15.349 1.00 0.00 C ATOM 1295 NE2 HIS A 83 62.581 27.399 -14.940 1.00 0.00 N ATOM 0 H HIS A 83 56.813 28.840 -13.134 1.00 0.00 H new ATOM 0 HA HIS A 83 59.289 29.938 -14.323 1.00 0.00 H new ATOM 0 HB2 HIS A 83 59.317 28.087 -12.592 1.00 0.00 H new ATOM 0 HB3 HIS A 83 58.493 27.068 -13.754 1.00 0.00 H new ATOM 0 HD2 HIS A 83 61.891 29.138 -13.800 1.00 0.00 H new ATOM 0 HE1 HIS A 83 62.427 25.500 -15.910 1.00 0.00 H new ATOM 0 HE2 HIS A 83 63.561 27.628 -15.105 1.00 0.00 H new ATOM 1304 N HIS A 84 56.767 28.677 -15.832 1.00 0.00 N ATOM 1305 CA HIS A 84 56.117 28.460 -17.107 1.00 0.00 C ATOM 1306 C HIS A 84 54.978 29.456 -17.248 1.00 0.00 C ATOM 1307 O HIS A 84 55.082 30.376 -18.080 1.00 0.00 O ATOM 1308 CB HIS A 84 55.585 27.024 -17.200 1.00 0.00 C ATOM 1309 CG HIS A 84 54.804 26.740 -18.447 1.00 0.00 C ATOM 1310 ND1 HIS A 84 55.348 26.134 -19.557 1.00 0.00 N ATOM 1311 CD2 HIS A 84 53.506 26.981 -18.752 1.00 0.00 C ATOM 1312 CE1 HIS A 84 54.422 26.018 -20.491 1.00 0.00 C ATOM 1313 NE2 HIS A 84 53.297 26.524 -20.025 1.00 0.00 N ATOM 1314 OXT HIS A 84 54.000 29.335 -16.486 1.00 0.00 O ATOM 0 H HIS A 84 56.124 28.688 -15.040 1.00 0.00 H new ATOM 0 HA HIS A 84 56.835 28.605 -17.914 1.00 0.00 H new ATOM 0 HB2 HIS A 84 56.426 26.332 -17.145 1.00 0.00 H new ATOM 0 HB3 HIS A 84 54.952 26.826 -16.335 1.00 0.00 H new ATOM 0 HD2 HIS A 84 52.773 27.447 -18.110 1.00 0.00 H new ATOM 0 HE1 HIS A 84 54.562 25.583 -21.470 1.00 0.00 H new ATOM 0 HE2 HIS A 84 52.413 26.568 -20.532 1.00 0.00 H new TER 1323 HIS A 84