USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 0.304 K(o=0.74,f=-2.9!) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.438 K(o=0.74,f=-3) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0.153 (180deg=0.153) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= -0.0105 (180deg=-0.149) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.943 K(o=-0.94,f=-2) USER MOD Single : A 16 ASN : amide:sc= -0.605 K(o=-0.6,f=-3.1!) USER MOD Single : A 17 HIS : no HD1:sc= -2.02 K(o=-2,f=-2.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 13:sc= 0.496 USER MOD Single : A 21 THR OG1 : rot -125:sc= -0.407 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.4 F(o=-1.1,f=-0.4) USER MOD Single : A 27 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -33:sc= 0.26 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 104:sc= 2.08 USER MOD Single : A 64 SER OG : rot -170:sc= -0.0225 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -123:sc= -1.66! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.19) USER MOD Single : A 85 SER OG : rot -50:sc= 0.23 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -153:sc= -0.119 (180deg=-0.718) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -0.153 (180deg=-0.153) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -3.29 (180deg=-3.29) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -5.06! (180deg=-6.16!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.0596 (180deg=-0.0596) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -21.491 -10.256 -4.428 1.00 17.04 N ATOM 2 CA ASP A 1 -22.543 -9.255 -4.115 1.00 15.88 C ATOM 3 C ASP A 1 -21.734 -8.792 -2.888 1.00 13.67 C ATOM 4 O ASP A 1 -21.245 -9.621 -2.117 1.00 13.49 O ATOM 5 CB ASP A 1 -23.768 -10.221 -4.167 1.00 16.95 C ATOM 6 CG ASP A 1 -24.672 -10.256 -2.926 1.00 17.15 C ATOM 7 OD1 ASP A 1 -24.495 -9.394 -2.039 1.00 16.56 O ATOM 8 OD2 ASP A 1 -25.522 -11.167 -2.900 1.00 18.13 O ATOM 0 H1 ASP A 1 -21.759 -10.786 -5.282 1.00 17.04 H new ATOM 0 H2 ASP A 1 -20.587 -9.769 -4.592 1.00 17.04 H new ATOM 0 H3 ASP A 1 -21.390 -10.915 -3.630 1.00 17.04 H new ATOM 0 HA ASP A 1 -22.943 -8.369 -4.608 1.00 15.88 H new ATOM 0 HB2 ASP A 1 -24.380 -9.948 -5.026 1.00 16.95 H new ATOM 0 HB3 ASP A 1 -23.398 -11.230 -4.347 1.00 16.95 H new ATOM 15 N LYS A 2 -21.447 -7.489 -2.750 1.00 12.24 N ATOM 16 CA LYS A 2 -20.481 -7.060 -1.743 1.00 10.38 C ATOM 17 C LYS A 2 -20.753 -5.634 -1.281 1.00 8.85 C ATOM 18 O LYS A 2 -21.266 -4.836 -2.059 1.00 9.30 O ATOM 19 CB LYS A 2 -19.063 -7.196 -2.321 1.00 10.70 C ATOM 20 CG LYS A 2 -18.775 -6.230 -3.486 1.00 11.85 C ATOM 21 CD LYS A 2 -18.046 -6.935 -4.636 1.00 13.18 C ATOM 22 CE LYS A 2 -17.630 -5.901 -5.691 1.00 14.49 C ATOM 23 NZ LYS A 2 -17.944 -6.336 -7.069 1.00 16.04 N ATOM 0 H LYS A 2 -21.858 -6.739 -3.306 1.00 12.24 H new ATOM 0 HA LYS A 2 -20.576 -7.698 -0.864 1.00 10.38 H new ATOM 0 HB2 LYS A 2 -18.338 -7.020 -1.527 1.00 10.70 H new ATOM 0 HB3 LYS A 2 -18.917 -8.220 -2.665 1.00 10.70 H new ATOM 0 HG2 LYS A 2 -19.712 -5.810 -3.851 1.00 11.85 H new ATOM 0 HG3 LYS A 2 -18.171 -5.397 -3.128 1.00 11.85 H new ATOM 0 HD2 LYS A 2 -17.167 -7.457 -4.257 1.00 13.18 H new ATOM 0 HD3 LYS A 2 -18.695 -7.687 -5.085 1.00 13.18 H new ATOM 0 HE2 LYS A 2 -18.136 -4.957 -5.488 1.00 14.49 H new ATOM 0 HE3 LYS A 2 -16.559 -5.714 -5.608 1.00 14.49 H new ATOM 0 HZ1 LYS A 2 -17.643 -5.602 -7.742 1.00 16.04 H new ATOM 0 HZ2 LYS A 2 -17.442 -7.223 -7.276 1.00 16.04 H new ATOM 0 HZ3 LYS A 2 -18.969 -6.489 -7.160 1.00 16.04 H new ATOM 37 N ASP A 3 -20.350 -5.318 -0.048 1.00 7.47 N ATOM 38 CA ASP A 3 -20.589 -4.023 0.588 1.00 6.41 C ATOM 39 C ASP A 3 -19.326 -3.574 1.329 1.00 5.29 C ATOM 40 O ASP A 3 -19.372 -3.083 2.454 1.00 5.79 O ATOM 41 CB ASP A 3 -21.805 -4.114 1.522 1.00 6.82 C ATOM 42 CG ASP A 3 -22.385 -2.726 1.791 1.00 7.03 C ATOM 43 OD1 ASP A 3 -22.561 -1.990 0.795 1.00 7.60 O ATOM 44 OD2 ASP A 3 -22.675 -2.428 2.971 1.00 7.23 O ATOM 0 H ASP A 3 -19.838 -5.969 0.547 1.00 7.47 H new ATOM 0 HA ASP A 3 -20.815 -3.272 -0.169 1.00 6.41 H new ATOM 0 HB2 ASP A 3 -22.567 -4.751 1.074 1.00 6.82 H new ATOM 0 HB3 ASP A 3 -21.513 -4.580 2.463 1.00 6.82 H new ATOM 49 N VAL A 4 -18.160 -3.820 0.727 1.00 3.99 N ATOM 50 CA VAL A 4 -16.877 -3.529 1.338 1.00 2.99 C ATOM 51 C VAL A 4 -16.233 -2.406 0.527 1.00 2.07 C ATOM 52 O VAL A 4 -16.869 -1.396 0.242 1.00 2.24 O ATOM 53 CB VAL A 4 -16.044 -4.820 1.483 1.00 2.44 C ATOM 54 CG1 VAL A 4 -14.931 -4.623 2.524 1.00 2.60 C ATOM 55 CG2 VAL A 4 -16.913 -6.020 1.889 1.00 3.38 C ATOM 0 H VAL A 4 -18.088 -4.230 -0.204 1.00 3.99 H new ATOM 0 HA VAL A 4 -16.969 -3.168 2.363 1.00 2.99 H new ATOM 0 HB VAL A 4 -15.606 -5.031 0.508 1.00 2.44 H new ATOM 0 HG11 VAL A 4 -14.352 -5.542 2.616 1.00 2.60 H new ATOM 0 HG12 VAL A 4 -14.276 -3.811 2.207 1.00 2.60 H new ATOM 0 HG13 VAL A 4 -15.375 -4.376 3.489 1.00 2.60 H new ATOM 0 HG21 VAL A 4 -16.287 -6.908 1.980 1.00 3.38 H new ATOM 0 HG22 VAL A 4 -17.393 -5.815 2.846 1.00 3.38 H new ATOM 0 HG23 VAL A 4 -17.676 -6.190 1.130 1.00 3.38 H new ATOM 65 N LYS A 5 -14.956 -2.545 0.192 1.00 1.59 N ATOM 66 CA LYS A 5 -14.182 -1.530 -0.507 1.00 0.87 C ATOM 67 C LYS A 5 -13.434 -2.196 -1.652 1.00 1.00 C ATOM 68 O LYS A 5 -12.211 -2.280 -1.650 1.00 2.49 O ATOM 69 CB LYS A 5 -13.264 -0.790 0.472 1.00 1.23 C ATOM 70 CG LYS A 5 -13.973 0.371 1.176 1.00 1.64 C ATOM 71 CD LYS A 5 -14.640 -0.070 2.480 1.00 3.16 C ATOM 72 CE LYS A 5 -15.843 0.835 2.735 1.00 3.64 C ATOM 73 NZ LYS A 5 -16.549 0.470 3.979 1.00 5.14 N ATOM 0 H LYS A 5 -14.419 -3.386 0.404 1.00 1.59 H new ATOM 0 HA LYS A 5 -14.834 -0.769 -0.935 1.00 0.87 H new ATOM 0 HB2 LYS A 5 -12.893 -1.492 1.219 1.00 1.23 H new ATOM 0 HB3 LYS A 5 -12.396 -0.409 -0.066 1.00 1.23 H new ATOM 0 HG2 LYS A 5 -13.253 1.161 1.387 1.00 1.64 H new ATOM 0 HG3 LYS A 5 -14.725 0.794 0.510 1.00 1.64 H new ATOM 0 HD2 LYS A 5 -14.956 -1.111 2.411 1.00 3.16 H new ATOM 0 HD3 LYS A 5 -13.934 -0.005 3.308 1.00 3.16 H new ATOM 0 HE2 LYS A 5 -15.512 1.872 2.796 1.00 3.64 H new ATOM 0 HE3 LYS A 5 -16.532 0.769 1.893 1.00 3.64 H new ATOM 0 HZ1 LYS A 5 -17.359 1.107 4.118 1.00 5.14 H new ATOM 0 HZ2 LYS A 5 -16.887 -0.511 3.911 1.00 5.14 H new ATOM 0 HZ3 LYS A 5 -15.898 0.557 4.786 1.00 5.14 H new ATOM 87 N TYR A 6 -14.214 -2.716 -2.597 1.00 1.18 N ATOM 88 CA TYR A 6 -13.744 -3.398 -3.783 1.00 0.98 C ATOM 89 C TYR A 6 -13.324 -2.353 -4.805 1.00 0.81 C ATOM 90 O TYR A 6 -14.146 -1.897 -5.596 1.00 0.96 O ATOM 91 CB TYR A 6 -14.848 -4.305 -4.337 1.00 1.14 C ATOM 92 CG TYR A 6 -14.914 -5.663 -3.669 1.00 1.28 C ATOM 93 CD1 TYR A 6 -15.473 -5.802 -2.385 1.00 1.80 C ATOM 94 CD2 TYR A 6 -14.428 -6.796 -4.348 1.00 2.66 C ATOM 95 CE1 TYR A 6 -15.549 -7.069 -1.778 1.00 1.99 C ATOM 96 CE2 TYR A 6 -14.527 -8.067 -3.758 1.00 2.87 C ATOM 97 CZ TYR A 6 -15.080 -8.210 -2.469 1.00 1.86 C ATOM 98 OH TYR A 6 -15.187 -9.453 -1.924 1.00 2.24 O ATOM 0 H TYR A 6 -15.232 -2.667 -2.548 1.00 1.18 H new ATOM 0 HA TYR A 6 -12.888 -4.029 -3.545 1.00 0.98 H new ATOM 0 HB2 TYR A 6 -15.809 -3.805 -4.219 1.00 1.14 H new ATOM 0 HB3 TYR A 6 -14.689 -4.443 -5.406 1.00 1.14 H new ATOM 0 HD1 TYR A 6 -15.845 -4.933 -1.863 1.00 1.80 H new ATOM 0 HD2 TYR A 6 -13.978 -6.688 -5.324 1.00 2.66 H new ATOM 0 HE1 TYR A 6 -15.965 -7.170 -0.786 1.00 1.99 H new ATOM 0 HE2 TYR A 6 -14.178 -8.938 -4.294 1.00 2.87 H new ATOM 0 HH TYR A 6 -14.813 -10.115 -2.542 1.00 2.24 H new ATOM 108 N TYR A 7 -12.061 -1.944 -4.771 1.00 0.59 N ATOM 109 CA TYR A 7 -11.525 -0.976 -5.695 1.00 0.46 C ATOM 110 C TYR A 7 -10.971 -1.684 -6.932 1.00 0.50 C ATOM 111 O TYR A 7 -10.535 -2.829 -6.851 1.00 0.58 O ATOM 112 CB TYR A 7 -10.441 -0.226 -4.930 1.00 0.42 C ATOM 113 CG TYR A 7 -10.994 0.690 -3.855 1.00 0.57 C ATOM 114 CD1 TYR A 7 -11.848 1.753 -4.211 1.00 1.51 C ATOM 115 CD2 TYR A 7 -10.680 0.476 -2.503 1.00 2.03 C ATOM 116 CE1 TYR A 7 -12.365 2.620 -3.232 1.00 1.46 C ATOM 117 CE2 TYR A 7 -11.204 1.333 -1.520 1.00 2.28 C ATOM 118 CZ TYR A 7 -12.033 2.414 -1.876 1.00 1.12 C ATOM 119 OH TYR A 7 -12.453 3.279 -0.912 1.00 1.42 O ATOM 0 H TYR A 7 -11.381 -2.284 -4.091 1.00 0.59 H new ATOM 0 HA TYR A 7 -12.284 -0.282 -6.056 1.00 0.46 H new ATOM 0 HB2 TYR A 7 -9.764 -0.947 -4.471 1.00 0.42 H new ATOM 0 HB3 TYR A 7 -9.851 0.363 -5.632 1.00 0.42 H new ATOM 0 HD1 TYR A 7 -12.109 1.904 -5.248 1.00 1.51 H new ATOM 0 HD2 TYR A 7 -10.038 -0.345 -2.219 1.00 2.03 H new ATOM 0 HE1 TYR A 7 -13.011 3.437 -3.516 1.00 1.46 H new ATOM 0 HE2 TYR A 7 -10.968 1.161 -0.480 1.00 2.28 H new ATOM 0 HH TYR A 7 -12.130 2.976 -0.038 1.00 1.42 H new ATOM 129 N THR A 8 -10.955 -1.018 -8.082 1.00 0.47 N ATOM 130 CA THR A 8 -10.444 -1.586 -9.326 1.00 0.52 C ATOM 131 C THR A 8 -9.011 -1.108 -9.543 1.00 0.51 C ATOM 132 O THR A 8 -8.615 -0.083 -9.000 1.00 0.49 O ATOM 133 CB THR A 8 -11.370 -1.155 -10.473 1.00 0.61 C ATOM 134 OG1 THR A 8 -11.857 0.151 -10.243 1.00 0.85 O ATOM 135 CG2 THR A 8 -12.568 -2.096 -10.536 1.00 0.83 C ATOM 0 H THR A 8 -11.298 -0.062 -8.178 1.00 0.47 H new ATOM 0 HA THR A 8 -10.429 -2.675 -9.285 1.00 0.52 H new ATOM 0 HB THR A 8 -10.804 -1.184 -11.404 1.00 0.61 H new ATOM 0 HG1 THR A 8 -12.445 0.416 -10.981 1.00 0.85 H new ATOM 0 HG21 THR A 8 -13.227 -1.792 -11.349 1.00 0.83 H new ATOM 0 HG22 THR A 8 -12.222 -3.115 -10.711 1.00 0.83 H new ATOM 0 HG23 THR A 8 -13.113 -2.055 -9.593 1.00 0.83 H new ATOM 143 N LEU A 9 -8.215 -1.821 -10.345 1.00 0.58 N ATOM 144 CA LEU A 9 -6.795 -1.502 -10.529 1.00 0.55 C ATOM 145 C LEU A 9 -6.608 -0.078 -11.022 1.00 0.52 C ATOM 146 O LEU A 9 -5.719 0.631 -10.558 1.00 0.50 O ATOM 147 CB LEU A 9 -6.100 -2.442 -11.526 1.00 0.65 C ATOM 148 CG LEU A 9 -6.255 -3.935 -11.232 1.00 0.76 C ATOM 149 CD1 LEU A 9 -6.052 -4.231 -9.745 1.00 0.87 C ATOM 150 CD2 LEU A 9 -7.623 -4.424 -11.716 1.00 1.08 C ATOM 0 H LEU A 9 -8.532 -2.629 -10.881 1.00 0.58 H new ATOM 0 HA LEU A 9 -6.340 -1.628 -9.546 1.00 0.55 H new ATOM 0 HB2 LEU A 9 -6.492 -2.242 -12.523 1.00 0.65 H new ATOM 0 HB3 LEU A 9 -5.037 -2.201 -11.547 1.00 0.65 H new ATOM 0 HG LEU A 9 -5.482 -4.478 -11.776 1.00 0.76 H new ATOM 0 HD11 LEU A 9 -6.168 -5.300 -9.568 1.00 0.87 H new ATOM 0 HD12 LEU A 9 -5.051 -3.920 -9.446 1.00 0.87 H new ATOM 0 HD13 LEU A 9 -6.792 -3.684 -9.161 1.00 0.87 H new ATOM 0 HD21 LEU A 9 -7.725 -5.488 -11.503 1.00 1.08 H new ATOM 0 HD22 LEU A 9 -8.410 -3.873 -11.200 1.00 1.08 H new ATOM 0 HD23 LEU A 9 -7.709 -4.259 -12.790 1.00 1.08 H new ATOM 162 N GLU A 10 -7.446 0.334 -11.972 1.00 0.57 N ATOM 163 CA GLU A 10 -7.442 1.696 -12.478 1.00 0.59 C ATOM 164 C GLU A 10 -7.752 2.709 -11.374 1.00 0.55 C ATOM 165 O GLU A 10 -7.259 3.829 -11.428 1.00 0.74 O ATOM 166 CB GLU A 10 -8.441 1.818 -13.633 1.00 0.76 C ATOM 167 CG GLU A 10 -9.846 1.310 -13.272 1.00 2.43 C ATOM 168 CD GLU A 10 -10.914 2.223 -13.875 1.00 3.08 C ATOM 169 OE1 GLU A 10 -11.287 1.965 -15.038 1.00 3.30 O ATOM 170 OE2 GLU A 10 -11.309 3.188 -13.173 1.00 4.15 O ATOM 0 H GLU A 10 -8.143 -0.269 -12.408 1.00 0.57 H new ATOM 0 HA GLU A 10 -6.442 1.924 -12.846 1.00 0.59 H new ATOM 0 HB2 GLU A 10 -8.506 2.862 -13.940 1.00 0.76 H new ATOM 0 HB3 GLU A 10 -8.067 1.257 -14.489 1.00 0.76 H new ATOM 0 HG2 GLU A 10 -9.978 0.293 -13.641 1.00 2.43 H new ATOM 0 HG3 GLU A 10 -9.959 1.273 -12.189 1.00 2.43 H new ATOM 177 N GLU A 11 -8.529 2.313 -10.366 1.00 0.48 N ATOM 178 CA GLU A 11 -8.856 3.107 -9.192 1.00 0.54 C ATOM 179 C GLU A 11 -7.601 3.266 -8.333 1.00 0.49 C ATOM 180 O GLU A 11 -7.236 4.369 -7.950 1.00 0.61 O ATOM 181 CB GLU A 11 -9.978 2.413 -8.401 1.00 0.68 C ATOM 182 CG GLU A 11 -11.027 3.373 -7.846 1.00 1.15 C ATOM 183 CD GLU A 11 -10.408 4.523 -7.068 1.00 1.52 C ATOM 184 OE1 GLU A 11 -10.032 4.262 -5.908 1.00 3.13 O ATOM 185 OE2 GLU A 11 -10.355 5.626 -7.657 1.00 1.93 O ATOM 0 H GLU A 11 -8.964 1.390 -10.349 1.00 0.48 H new ATOM 0 HA GLU A 11 -9.206 4.095 -9.490 1.00 0.54 H new ATOM 0 HB2 GLU A 11 -10.470 1.687 -9.048 1.00 0.68 H new ATOM 0 HB3 GLU A 11 -9.536 1.856 -7.575 1.00 0.68 H new ATOM 0 HG2 GLU A 11 -11.621 3.772 -8.668 1.00 1.15 H new ATOM 0 HG3 GLU A 11 -11.710 2.825 -7.197 1.00 1.15 H new ATOM 192 N ILE A 12 -6.868 2.183 -8.070 1.00 0.39 N ATOM 193 CA ILE A 12 -5.689 2.307 -7.226 1.00 0.43 C ATOM 194 C ILE A 12 -4.666 3.203 -7.913 1.00 0.56 C ATOM 195 O ILE A 12 -4.123 4.130 -7.316 1.00 0.83 O ATOM 196 CB ILE A 12 -5.094 0.928 -6.932 1.00 0.41 C ATOM 197 CG1 ILE A 12 -6.145 0.095 -6.197 1.00 0.40 C ATOM 198 CG2 ILE A 12 -3.831 1.045 -6.052 1.00 0.62 C ATOM 199 CD1 ILE A 12 -6.439 -1.229 -6.891 1.00 0.74 C ATOM 0 H ILE A 12 -7.063 1.244 -8.417 1.00 0.39 H new ATOM 0 HA ILE A 12 -5.972 2.758 -6.275 1.00 0.43 H new ATOM 0 HB ILE A 12 -4.812 0.455 -7.872 1.00 0.41 H new ATOM 0 HG12 ILE A 12 -5.802 -0.101 -5.181 1.00 0.40 H new ATOM 0 HG13 ILE A 12 -7.067 0.671 -6.116 1.00 0.40 H new ATOM 0 HG21 ILE A 12 -3.429 0.051 -5.859 1.00 0.62 H new ATOM 0 HG22 ILE A 12 -3.082 1.645 -6.569 1.00 0.62 H new ATOM 0 HG23 ILE A 12 -4.089 1.522 -5.107 1.00 0.62 H new ATOM 0 HD11 ILE A 12 -7.192 -1.777 -6.325 1.00 0.74 H new ATOM 0 HD12 ILE A 12 -6.810 -1.038 -7.898 1.00 0.74 H new ATOM 0 HD13 ILE A 12 -5.525 -1.821 -6.948 1.00 0.74 H new ATOM 211 N LYS A 13 -4.397 2.932 -9.188 1.00 0.43 N ATOM 212 CA LYS A 13 -3.440 3.714 -9.952 1.00 0.57 C ATOM 213 C LYS A 13 -3.987 5.109 -10.230 1.00 0.61 C ATOM 214 O LYS A 13 -3.222 5.964 -10.664 1.00 1.00 O ATOM 215 CB LYS A 13 -3.126 3.009 -11.272 1.00 0.69 C ATOM 216 CG LYS A 13 -2.524 1.616 -11.040 1.00 0.99 C ATOM 217 CD LYS A 13 -2.903 0.630 -12.152 1.00 0.94 C ATOM 218 CE LYS A 13 -1.815 0.535 -13.222 1.00 1.54 C ATOM 219 NZ LYS A 13 -0.625 -0.178 -12.707 1.00 2.93 N ATOM 0 H LYS A 13 -4.833 2.173 -9.712 1.00 0.43 H new ATOM 0 HA LYS A 13 -2.525 3.808 -9.367 1.00 0.57 H new ATOM 0 HB2 LYS A 13 -4.038 2.918 -11.862 1.00 0.69 H new ATOM 0 HB3 LYS A 13 -2.430 3.615 -11.852 1.00 0.69 H new ATOM 0 HG2 LYS A 13 -1.438 1.696 -10.982 1.00 0.99 H new ATOM 0 HG3 LYS A 13 -2.867 1.229 -10.081 1.00 0.99 H new ATOM 0 HD2 LYS A 13 -3.075 -0.356 -11.720 1.00 0.94 H new ATOM 0 HD3 LYS A 13 -3.839 0.944 -12.613 1.00 0.94 H new ATOM 0 HE2 LYS A 13 -2.205 0.014 -14.097 1.00 1.54 H new ATOM 0 HE3 LYS A 13 -1.531 1.536 -13.547 1.00 1.54 H new ATOM 0 HZ1 LYS A 13 -0.057 -0.527 -13.505 1.00 2.93 H new ATOM 0 HZ2 LYS A 13 -0.052 0.473 -12.133 1.00 2.93 H new ATOM 0 HZ3 LYS A 13 -0.929 -0.981 -12.121 1.00 2.93 H new ATOM 233 N LYS A 14 -5.272 5.363 -9.969 1.00 0.65 N ATOM 234 CA LYS A 14 -5.841 6.699 -10.040 1.00 0.80 C ATOM 235 C LYS A 14 -5.204 7.614 -8.996 1.00 0.74 C ATOM 236 O LYS A 14 -5.338 8.830 -9.110 1.00 1.04 O ATOM 237 CB LYS A 14 -7.362 6.626 -9.815 1.00 0.94 C ATOM 238 CG LYS A 14 -8.164 7.357 -10.885 1.00 1.39 C ATOM 239 CD LYS A 14 -9.621 7.452 -10.421 1.00 2.26 C ATOM 240 CE LYS A 14 -10.570 7.614 -11.609 1.00 3.22 C ATOM 241 NZ LYS A 14 -10.976 6.300 -12.172 1.00 4.01 N ATOM 0 H LYS A 14 -5.943 4.642 -9.703 1.00 0.65 H new ATOM 0 HA LYS A 14 -5.639 7.112 -11.028 1.00 0.80 H new ATOM 0 HB2 LYS A 14 -7.669 5.580 -9.791 1.00 0.94 H new ATOM 0 HB3 LYS A 14 -7.599 7.050 -8.839 1.00 0.94 H new ATOM 0 HG2 LYS A 14 -7.754 8.353 -11.051 1.00 1.39 H new ATOM 0 HG3 LYS A 14 -8.103 6.825 -11.834 1.00 1.39 H new ATOM 0 HD2 LYS A 14 -9.886 6.556 -9.860 1.00 2.26 H new ATOM 0 HD3 LYS A 14 -9.735 8.298 -9.743 1.00 2.26 H new ATOM 0 HE2 LYS A 14 -11.457 8.164 -11.294 1.00 3.22 H new ATOM 0 HE3 LYS A 14 -10.085 8.208 -12.384 1.00 3.22 H new ATOM 0 HZ1 LYS A 14 -11.619 6.450 -12.975 1.00 4.01 H new ATOM 0 HZ2 LYS A 14 -10.132 5.785 -12.496 1.00 4.01 H new ATOM 0 HZ3 LYS A 14 -11.461 5.744 -11.440 1.00 4.01 H new ATOM 255 N HIS A 15 -4.534 7.056 -7.982 1.00 0.64 N ATOM 256 CA HIS A 15 -3.897 7.843 -6.953 1.00 0.84 C ATOM 257 C HIS A 15 -2.457 8.175 -7.356 1.00 1.41 C ATOM 258 O HIS A 15 -2.221 8.790 -8.391 1.00 3.08 O ATOM 259 CB HIS A 15 -3.987 7.089 -5.631 1.00 0.96 C ATOM 260 CG HIS A 15 -5.397 6.942 -5.138 1.00 0.87 C ATOM 261 ND1 HIS A 15 -6.084 7.876 -4.400 1.00 1.24 N ATOM 262 CD2 HIS A 15 -6.230 5.882 -5.358 1.00 0.83 C ATOM 263 CE1 HIS A 15 -7.306 7.373 -4.156 1.00 1.41 C ATOM 264 NE2 HIS A 15 -7.437 6.171 -4.726 1.00 1.14 N ATOM 0 H HIS A 15 -4.426 6.049 -7.863 1.00 0.64 H new ATOM 0 HA HIS A 15 -4.407 8.798 -6.827 1.00 0.84 H new ATOM 0 HB2 HIS A 15 -3.545 6.100 -5.752 1.00 0.96 H new ATOM 0 HB3 HIS A 15 -3.397 7.613 -4.879 1.00 0.96 H new ATOM 0 HD2 HIS A 15 -5.997 4.988 -5.917 1.00 0.83 H new ATOM 0 HE1 HIS A 15 -8.074 7.870 -3.581 1.00 1.41 H new ATOM 0 HE2 HIS A 15 -8.266 5.577 -4.702 1.00 1.14 H new ATOM 272 N ASN A 16 -1.476 7.779 -6.537 1.00 0.68 N ATOM 273 CA ASN A 16 -0.049 7.942 -6.793 1.00 0.80 C ATOM 274 C ASN A 16 0.363 9.412 -6.722 1.00 0.92 C ATOM 275 O ASN A 16 1.322 9.834 -7.370 1.00 1.43 O ATOM 276 CB ASN A 16 0.376 7.318 -8.128 1.00 1.04 C ATOM 277 CG ASN A 16 -0.355 6.043 -8.518 1.00 1.49 C ATOM 278 OD1 ASN A 16 -0.776 5.259 -7.676 1.00 3.26 O ATOM 279 ND2 ASN A 16 -0.544 5.851 -9.815 1.00 1.78 N ATOM 0 H ASN A 16 -1.666 7.320 -5.646 1.00 0.68 H new ATOM 0 HA ASN A 16 0.476 7.403 -6.004 1.00 0.80 H new ATOM 0 HB2 ASN A 16 0.229 8.056 -8.917 1.00 1.04 H new ATOM 0 HB3 ASN A 16 1.444 7.105 -8.086 1.00 1.04 H new ATOM 0 HD21 ASN A 16 -1.054 5.030 -10.140 1.00 1.78 H new ATOM 0 HD22 ASN A 16 -0.180 6.525 -10.489 1.00 1.78 H new ATOM 286 N HIS A 17 -0.369 10.203 -5.938 1.00 0.71 N ATOM 287 CA HIS A 17 -0.145 11.627 -5.805 1.00 0.99 C ATOM 288 C HIS A 17 0.058 11.951 -4.328 1.00 1.20 C ATOM 289 O HIS A 17 -0.390 11.203 -3.453 1.00 2.32 O ATOM 290 CB HIS A 17 -1.327 12.383 -6.426 1.00 1.09 C ATOM 291 CG HIS A 17 -2.678 11.940 -5.922 1.00 2.04 C ATOM 292 ND1 HIS A 17 -3.230 12.254 -4.701 1.00 4.07 N ATOM 293 CD2 HIS A 17 -3.584 11.172 -6.603 1.00 1.80 C ATOM 294 CE1 HIS A 17 -4.446 11.681 -4.650 1.00 5.00 C ATOM 295 NE2 HIS A 17 -4.695 10.997 -5.773 1.00 3.62 N ATOM 0 H HIS A 17 -1.145 9.859 -5.372 1.00 0.71 H new ATOM 0 HA HIS A 17 0.752 11.942 -6.339 1.00 0.99 H new ATOM 0 HB2 HIS A 17 -1.208 13.448 -6.226 1.00 1.09 H new ATOM 0 HB3 HIS A 17 -1.296 12.257 -7.508 1.00 1.09 H new ATOM 0 HD2 HIS A 17 -3.462 10.774 -7.600 1.00 1.80 H new ATOM 0 HE1 HIS A 17 -5.128 11.762 -3.817 1.00 5.00 H new ATOM 0 HE2 HIS A 17 -5.532 10.454 -5.982 1.00 3.62 H new ATOM 303 N SER A 18 0.727 13.077 -4.060 1.00 1.08 N ATOM 304 CA SER A 18 1.095 13.533 -2.724 1.00 1.10 C ATOM 305 C SER A 18 -0.144 14.047 -1.987 1.00 1.26 C ATOM 306 O SER A 18 -0.300 15.248 -1.779 1.00 2.43 O ATOM 307 CB SER A 18 2.182 14.611 -2.849 1.00 1.23 C ATOM 308 OG SER A 18 2.926 14.704 -1.655 1.00 2.11 O ATOM 0 H SER A 18 1.036 13.714 -4.794 1.00 1.08 H new ATOM 0 HA SER A 18 1.498 12.708 -2.137 1.00 1.10 H new ATOM 0 HB2 SER A 18 2.846 14.372 -3.680 1.00 1.23 H new ATOM 0 HB3 SER A 18 1.723 15.574 -3.074 1.00 1.23 H new ATOM 0 HG SER A 18 3.615 15.394 -1.752 1.00 2.11 H new ATOM 314 N LYS A 19 -1.063 13.141 -1.647 1.00 0.86 N ATOM 315 CA LYS A 19 -2.330 13.439 -0.995 1.00 0.98 C ATOM 316 C LYS A 19 -3.071 12.158 -0.604 1.00 1.09 C ATOM 317 O LYS A 19 -3.809 12.159 0.375 1.00 1.69 O ATOM 318 CB LYS A 19 -3.222 14.262 -1.937 1.00 1.24 C ATOM 319 CG LYS A 19 -4.012 15.301 -1.140 1.00 2.11 C ATOM 320 CD LYS A 19 -4.898 16.159 -2.048 1.00 3.06 C ATOM 321 CE LYS A 19 -6.020 15.321 -2.671 1.00 4.55 C ATOM 322 NZ LYS A 19 -7.047 16.172 -3.311 1.00 5.84 N ATOM 0 H LYS A 19 -0.936 12.145 -1.827 1.00 0.86 H new ATOM 0 HA LYS A 19 -2.112 14.007 -0.091 1.00 0.98 H new ATOM 0 HB2 LYS A 19 -2.609 14.759 -2.689 1.00 1.24 H new ATOM 0 HB3 LYS A 19 -3.908 13.603 -2.469 1.00 1.24 H new ATOM 0 HG2 LYS A 19 -4.632 14.797 -0.399 1.00 2.11 H new ATOM 0 HG3 LYS A 19 -3.321 15.943 -0.594 1.00 2.11 H new ATOM 0 HD2 LYS A 19 -5.328 16.979 -1.473 1.00 3.06 H new ATOM 0 HD3 LYS A 19 -4.292 16.606 -2.836 1.00 3.06 H new ATOM 0 HE2 LYS A 19 -5.598 14.641 -3.411 1.00 4.55 H new ATOM 0 HE3 LYS A 19 -6.485 14.706 -1.901 1.00 4.55 H new ATOM 0 HZ1 LYS A 19 -7.790 15.571 -3.721 1.00 5.84 H new ATOM 0 HZ2 LYS A 19 -7.467 16.804 -2.600 1.00 5.84 H new ATOM 0 HZ3 LYS A 19 -6.607 16.741 -4.063 1.00 5.84 H new ATOM 336 N SER A 20 -2.935 11.084 -1.391 1.00 0.83 N ATOM 337 CA SER A 20 -3.493 9.770 -1.098 1.00 0.95 C ATOM 338 C SER A 20 -2.618 8.712 -1.766 1.00 0.93 C ATOM 339 O SER A 20 -3.066 8.018 -2.666 1.00 1.62 O ATOM 340 CB SER A 20 -4.931 9.679 -1.611 1.00 1.36 C ATOM 341 OG SER A 20 -5.815 10.492 -0.860 1.00 2.08 O ATOM 0 H SER A 20 -2.419 11.112 -2.271 1.00 0.83 H new ATOM 0 HA SER A 20 -3.510 9.605 -0.021 1.00 0.95 H new ATOM 0 HB2 SER A 20 -4.962 9.981 -2.658 1.00 1.36 H new ATOM 0 HB3 SER A 20 -5.266 8.643 -1.568 1.00 1.36 H new ATOM 0 HG SER A 20 -5.297 11.107 -0.300 1.00 2.08 H new ATOM 347 N THR A 21 -1.347 8.620 -1.383 1.00 0.66 N ATOM 348 CA THR A 21 -0.434 7.580 -1.833 1.00 0.61 C ATOM 349 C THR A 21 -0.983 6.200 -1.479 1.00 0.55 C ATOM 350 O THR A 21 -0.795 5.708 -0.366 1.00 0.53 O ATOM 351 CB THR A 21 0.949 7.834 -1.228 1.00 0.56 C ATOM 352 OG1 THR A 21 1.405 9.074 -1.736 1.00 0.73 O ATOM 353 CG2 THR A 21 1.965 6.751 -1.581 1.00 0.67 C ATOM 0 H THR A 21 -0.917 9.282 -0.737 1.00 0.66 H new ATOM 0 HA THR A 21 -0.337 7.607 -2.918 1.00 0.61 H new ATOM 0 HB THR A 21 0.856 7.833 -0.142 1.00 0.56 H new ATOM 0 HG1 THR A 21 2.281 8.952 -2.159 1.00 0.73 H new ATOM 0 HG21 THR A 21 2.925 6.989 -1.122 1.00 0.67 H new ATOM 0 HG22 THR A 21 1.614 5.788 -1.210 1.00 0.67 H new ATOM 0 HG23 THR A 21 2.083 6.701 -2.664 1.00 0.67 H new ATOM 361 N TRP A 22 -1.669 5.581 -2.438 1.00 0.58 N ATOM 362 CA TRP A 22 -2.151 4.224 -2.332 1.00 0.58 C ATOM 363 C TRP A 22 -1.148 3.309 -2.994 1.00 0.67 C ATOM 364 O TRP A 22 -0.240 3.774 -3.676 1.00 0.77 O ATOM 365 CB TRP A 22 -3.490 4.116 -3.055 1.00 0.66 C ATOM 366 CG TRP A 22 -4.668 4.508 -2.241 1.00 0.48 C ATOM 367 CD1 TRP A 22 -4.664 5.284 -1.137 1.00 0.48 C ATOM 368 CD2 TRP A 22 -6.052 4.141 -2.468 1.00 0.43 C ATOM 369 NE1 TRP A 22 -5.953 5.420 -0.664 1.00 0.52 N ATOM 370 CE2 TRP A 22 -6.857 4.763 -1.474 1.00 0.56 C ATOM 371 CE3 TRP A 22 -6.696 3.357 -3.443 1.00 0.43 C ATOM 372 CZ2 TRP A 22 -8.252 4.635 -1.465 1.00 0.76 C ATOM 373 CZ3 TRP A 22 -8.096 3.265 -3.479 1.00 0.53 C ATOM 374 CH2 TRP A 22 -8.868 3.909 -2.501 1.00 0.74 C ATOM 0 H TRP A 22 -1.905 6.026 -3.325 1.00 0.58 H new ATOM 0 HA TRP A 22 -2.278 3.945 -1.286 1.00 0.58 H new ATOM 0 HB2 TRP A 22 -3.457 4.742 -3.947 1.00 0.66 H new ATOM 0 HB3 TRP A 22 -3.624 3.088 -3.392 1.00 0.66 H new ATOM 0 HD1 TRP A 22 -3.787 5.730 -0.692 1.00 0.48 H new ATOM 0 HE1 TRP A 22 -6.206 5.940 0.177 1.00 0.52 H new ATOM 0 HE3 TRP A 22 -6.107 2.820 -4.172 1.00 0.43 H new ATOM 0 HZ2 TRP A 22 -8.842 5.084 -0.680 1.00 0.76 H new ATOM 0 HZ3 TRP A 22 -8.579 2.698 -4.261 1.00 0.53 H new ATOM 0 HH2 TRP A 22 -9.945 3.847 -2.544 1.00 0.74 H new ATOM 385 N LEU A 23 -1.351 2.008 -2.821 1.00 0.68 N ATOM 386 CA LEU A 23 -0.535 0.957 -3.396 1.00 0.73 C ATOM 387 C LEU A 23 -1.312 -0.358 -3.259 1.00 0.85 C ATOM 388 O LEU A 23 -2.371 -0.384 -2.626 1.00 0.97 O ATOM 389 CB LEU A 23 0.829 0.960 -2.685 1.00 0.64 C ATOM 390 CG LEU A 23 0.735 0.812 -1.162 1.00 0.62 C ATOM 391 CD1 LEU A 23 0.510 -0.643 -0.813 1.00 0.88 C ATOM 392 CD2 LEU A 23 2.055 1.208 -0.511 1.00 0.63 C ATOM 0 H LEU A 23 -2.119 1.648 -2.254 1.00 0.68 H new ATOM 0 HA LEU A 23 -0.330 1.103 -4.457 1.00 0.73 H new ATOM 0 HB2 LEU A 23 1.437 0.147 -3.083 1.00 0.64 H new ATOM 0 HB3 LEU A 23 1.348 1.890 -2.919 1.00 0.64 H new ATOM 0 HG LEU A 23 -0.080 1.445 -0.811 1.00 0.62 H new ATOM 0 HD11 LEU A 23 0.443 -0.751 0.270 1.00 0.88 H new ATOM 0 HD12 LEU A 23 -0.417 -0.988 -1.270 1.00 0.88 H new ATOM 0 HD13 LEU A 23 1.342 -1.240 -1.186 1.00 0.88 H new ATOM 0 HD21 LEU A 23 1.975 1.098 0.570 1.00 0.63 H new ATOM 0 HD22 LEU A 23 2.852 0.564 -0.883 1.00 0.63 H new ATOM 0 HD23 LEU A 23 2.284 2.246 -0.754 1.00 0.63 H new ATOM 404 N ILE A 24 -0.792 -1.462 -3.796 1.00 0.81 N ATOM 405 CA ILE A 24 -1.308 -2.797 -3.607 1.00 0.77 C ATOM 406 C ILE A 24 -0.285 -3.472 -2.729 1.00 0.82 C ATOM 407 O ILE A 24 0.782 -3.872 -3.189 1.00 0.75 O ATOM 408 CB ILE A 24 -1.377 -3.522 -4.958 1.00 0.65 C ATOM 409 CG1 ILE A 24 -2.468 -2.967 -5.847 1.00 0.67 C ATOM 410 CG2 ILE A 24 -1.663 -5.031 -4.910 1.00 0.70 C ATOM 411 CD1 ILE A 24 -3.663 -2.345 -5.138 1.00 2.09 C ATOM 0 H ILE A 24 0.032 -1.438 -4.396 1.00 0.81 H new ATOM 0 HA ILE A 24 -2.308 -2.802 -3.174 1.00 0.77 H new ATOM 0 HB ILE A 24 -0.369 -3.355 -5.337 1.00 0.65 H new ATOM 0 HG12 ILE A 24 -2.027 -2.214 -6.500 1.00 0.67 H new ATOM 0 HG13 ILE A 24 -2.830 -3.771 -6.487 1.00 0.67 H new ATOM 0 HG21 ILE A 24 -1.687 -5.429 -5.924 1.00 0.70 H new ATOM 0 HG22 ILE A 24 -0.879 -5.532 -4.342 1.00 0.70 H new ATOM 0 HG23 ILE A 24 -2.626 -5.204 -4.429 1.00 0.70 H new ATOM 0 HD11 ILE A 24 -4.377 -1.983 -5.878 1.00 2.09 H new ATOM 0 HD12 ILE A 24 -4.142 -3.094 -4.507 1.00 2.09 H new ATOM 0 HD13 ILE A 24 -3.327 -1.512 -4.521 1.00 2.09 H new ATOM 423 N LEU A 25 -0.585 -3.561 -1.445 1.00 1.00 N ATOM 424 CA LEU A 25 0.112 -4.472 -0.592 1.00 1.03 C ATOM 425 C LEU A 25 -0.800 -5.654 -0.400 1.00 1.22 C ATOM 426 O LEU A 25 -1.723 -5.609 0.399 1.00 1.68 O ATOM 427 CB LEU A 25 0.459 -3.766 0.712 1.00 1.09 C ATOM 428 CG LEU A 25 1.884 -3.234 0.662 1.00 0.68 C ATOM 429 CD1 LEU A 25 2.128 -2.361 1.879 1.00 0.74 C ATOM 430 CD2 LEU A 25 2.885 -4.365 0.595 1.00 0.80 C ATOM 0 H LEU A 25 -1.307 -3.009 -0.983 1.00 1.00 H new ATOM 0 HA LEU A 25 1.056 -4.816 -1.014 1.00 1.03 H new ATOM 0 HB2 LEU A 25 -0.237 -2.945 0.885 1.00 1.09 H new ATOM 0 HB3 LEU A 25 0.351 -4.457 1.548 1.00 1.09 H new ATOM 0 HG LEU A 25 2.014 -2.637 -0.241 1.00 0.68 H new ATOM 0 HD11 LEU A 25 3.147 -1.975 1.852 1.00 0.74 H new ATOM 0 HD12 LEU A 25 1.425 -1.528 1.876 1.00 0.74 H new ATOM 0 HD13 LEU A 25 1.988 -2.952 2.784 1.00 0.74 H new ATOM 0 HD21 LEU A 25 3.895 -3.956 0.560 1.00 0.80 H new ATOM 0 HD22 LEU A 25 2.780 -4.997 1.477 1.00 0.80 H new ATOM 0 HD23 LEU A 25 2.703 -4.959 -0.301 1.00 0.80 H new ATOM 442 N HIS A 26 -0.533 -6.727 -1.128 1.00 1.04 N ATOM 443 CA HIS A 26 -1.342 -7.916 -1.114 1.00 1.25 C ATOM 444 C HIS A 26 -2.641 -7.604 -1.876 1.00 1.51 C ATOM 445 O HIS A 26 -2.799 -6.603 -2.560 1.00 3.14 O ATOM 446 CB HIS A 26 -1.547 -8.440 0.339 1.00 1.48 C ATOM 447 CG HIS A 26 -0.299 -8.469 1.206 1.00 1.53 C ATOM 448 ND1 HIS A 26 0.182 -7.451 1.993 1.00 1.87 N flip ATOM 449 CD2 HIS A 26 0.558 -9.538 1.364 1.00 1.79 C flip ATOM 450 CE1 HIS A 26 1.357 -7.892 2.603 1.00 2.34 C flip ATOM 451 NE2 HIS A 26 1.549 -9.151 2.190 1.00 2.24 N flip ATOM 0 H HIS A 26 0.270 -6.788 -1.754 1.00 1.04 H new ATOM 0 HA HIS A 26 -0.848 -8.743 -1.624 1.00 1.25 H new ATOM 0 HB2 HIS A 26 -2.295 -7.817 0.829 1.00 1.48 H new ATOM 0 HB3 HIS A 26 -1.957 -9.449 0.288 1.00 1.48 H new ATOM 0 HD2 HIS A 26 0.453 -10.511 0.907 1.00 1.79 H new ATOM 0 HE1 HIS A 26 1.987 -7.329 3.276 1.00 2.34 H new ATOM 0 HE2 HIS A 26 2.338 -9.737 2.463 1.00 2.24 H new ATOM 459 N HIS A 27 -3.579 -8.523 -1.755 1.00 1.30 N ATOM 460 CA HIS A 27 -4.978 -8.506 -2.145 1.00 1.40 C ATOM 461 C HIS A 27 -5.766 -7.449 -1.392 1.00 1.25 C ATOM 462 O HIS A 27 -6.916 -7.212 -1.739 1.00 1.49 O ATOM 463 CB HIS A 27 -5.614 -9.898 -1.936 1.00 1.73 C ATOM 464 CG HIS A 27 -5.430 -10.508 -0.563 1.00 2.79 C ATOM 465 ND1 HIS A 27 -4.344 -11.240 -0.122 1.00 2.92 N ATOM 466 CD2 HIS A 27 -6.365 -10.521 0.437 1.00 4.52 C ATOM 467 CE1 HIS A 27 -4.621 -11.668 1.122 1.00 4.11 C ATOM 468 NE2 HIS A 27 -5.831 -11.246 1.509 1.00 5.10 N ATOM 0 H HIS A 27 -3.347 -9.418 -1.324 1.00 1.30 H new ATOM 0 HA HIS A 27 -5.016 -8.251 -3.204 1.00 1.40 H new ATOM 0 HB2 HIS A 27 -6.682 -9.822 -2.139 1.00 1.73 H new ATOM 0 HB3 HIS A 27 -5.197 -10.582 -2.675 1.00 1.73 H new ATOM 0 HD2 HIS A 27 -7.339 -10.056 0.405 1.00 4.52 H new ATOM 0 HE1 HIS A 27 -3.958 -12.270 1.726 1.00 4.11 H new ATOM 0 HE2 HIS A 27 -6.277 -11.419 2.410 1.00 5.10 H new ATOM 476 N LYS A 28 -5.182 -6.796 -0.387 1.00 1.43 N ATOM 477 CA LYS A 28 -5.836 -5.664 0.230 1.00 1.20 C ATOM 478 C LYS A 28 -5.156 -4.413 -0.306 1.00 0.92 C ATOM 479 O LYS A 28 -4.013 -4.468 -0.745 1.00 1.05 O ATOM 480 CB LYS A 28 -5.834 -5.813 1.749 1.00 1.48 C ATOM 481 CG LYS A 28 -6.707 -7.017 2.130 1.00 1.42 C ATOM 482 CD LYS A 28 -5.986 -8.053 2.995 1.00 1.43 C ATOM 483 CE LYS A 28 -6.484 -7.956 4.431 1.00 1.97 C ATOM 484 NZ LYS A 28 -5.855 -8.996 5.267 1.00 2.63 N ATOM 0 H LYS A 28 -4.271 -7.034 0.006 1.00 1.43 H new ATOM 0 HA LYS A 28 -6.894 -5.595 -0.024 1.00 1.20 H new ATOM 0 HB2 LYS A 28 -4.816 -5.955 2.113 1.00 1.48 H new ATOM 0 HB3 LYS A 28 -6.217 -4.906 2.218 1.00 1.48 H new ATOM 0 HG2 LYS A 28 -7.588 -6.661 2.664 1.00 1.42 H new ATOM 0 HG3 LYS A 28 -7.061 -7.500 1.219 1.00 1.42 H new ATOM 0 HD2 LYS A 28 -6.164 -9.055 2.605 1.00 1.43 H new ATOM 0 HD3 LYS A 28 -4.910 -7.884 2.961 1.00 1.43 H new ATOM 0 HE2 LYS A 28 -6.257 -6.970 4.835 1.00 1.97 H new ATOM 0 HE3 LYS A 28 -7.568 -8.068 4.455 1.00 1.97 H new ATOM 0 HZ1 LYS A 28 -6.205 -8.916 6.243 1.00 2.63 H new ATOM 0 HZ2 LYS A 28 -6.093 -9.936 4.890 1.00 2.63 H new ATOM 0 HZ3 LYS A 28 -4.823 -8.871 5.258 1.00 2.63 H new ATOM 498 N VAL A 29 -5.839 -3.279 -0.320 1.00 0.60 N ATOM 499 CA VAL A 29 -5.286 -2.046 -0.800 1.00 0.38 C ATOM 500 C VAL A 29 -4.934 -1.245 0.430 1.00 0.33 C ATOM 501 O VAL A 29 -5.668 -1.268 1.424 1.00 0.42 O ATOM 502 CB VAL A 29 -6.366 -1.347 -1.610 1.00 0.33 C ATOM 503 CG1 VAL A 29 -5.937 0.070 -1.931 1.00 0.81 C ATOM 504 CG2 VAL A 29 -6.679 -2.108 -2.888 1.00 0.53 C ATOM 0 H VAL A 29 -6.802 -3.200 0.007 1.00 0.60 H new ATOM 0 HA VAL A 29 -4.406 -2.179 -1.429 1.00 0.38 H new ATOM 0 HB VAL A 29 -7.275 -1.318 -1.010 1.00 0.33 H new ATOM 0 HG11 VAL A 29 -6.717 0.563 -2.511 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -5.772 0.619 -1.004 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -5.013 0.048 -2.509 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -7.455 -1.582 -3.444 1.00 0.53 H new ATOM 0 HG22 VAL A 29 -5.779 -2.179 -3.499 1.00 0.53 H new ATOM 0 HG23 VAL A 29 -7.028 -3.110 -2.639 1.00 0.53 H new ATOM 514 N TYR A 30 -3.826 -0.520 0.347 1.00 0.38 N ATOM 515 CA TYR A 30 -3.309 0.213 1.457 1.00 0.39 C ATOM 516 C TYR A 30 -3.136 1.671 1.052 1.00 0.38 C ATOM 517 O TYR A 30 -3.015 1.975 -0.137 1.00 0.47 O ATOM 518 CB TYR A 30 -1.982 -0.428 1.823 1.00 0.44 C ATOM 519 CG TYR A 30 -2.065 -1.742 2.572 1.00 0.44 C ATOM 520 CD1 TYR A 30 -2.571 -2.904 1.960 1.00 1.69 C ATOM 521 CD2 TYR A 30 -1.570 -1.818 3.881 1.00 1.81 C ATOM 522 CE1 TYR A 30 -2.625 -4.115 2.666 1.00 1.68 C ATOM 523 CE2 TYR A 30 -1.593 -3.039 4.568 1.00 1.85 C ATOM 524 CZ TYR A 30 -2.138 -4.193 3.983 1.00 0.58 C ATOM 525 OH TYR A 30 -2.211 -5.357 4.689 1.00 0.71 O ATOM 0 H TYR A 30 -3.270 -0.434 -0.504 1.00 0.38 H new ATOM 0 HA TYR A 30 -3.979 0.190 2.317 1.00 0.39 H new ATOM 0 HB2 TYR A 30 -1.414 -0.590 0.907 1.00 0.44 H new ATOM 0 HB3 TYR A 30 -1.415 0.278 2.429 1.00 0.44 H new ATOM 0 HD1 TYR A 30 -2.920 -2.863 0.939 1.00 1.69 H new ATOM 0 HD2 TYR A 30 -1.171 -0.936 4.360 1.00 1.81 H new ATOM 0 HE1 TYR A 30 -3.043 -4.993 2.195 1.00 1.68 H new ATOM 0 HE2 TYR A 30 -1.184 -3.093 5.566 1.00 1.85 H new ATOM 0 HH TYR A 30 -1.825 -5.224 5.580 1.00 0.71 H new ATOM 535 N ASP A 31 -3.083 2.558 2.045 1.00 0.37 N ATOM 536 CA ASP A 31 -3.007 3.989 1.885 1.00 0.35 C ATOM 537 C ASP A 31 -2.019 4.460 2.919 1.00 0.38 C ATOM 538 O ASP A 31 -2.312 4.462 4.114 1.00 0.52 O ATOM 539 CB ASP A 31 -4.364 4.630 2.147 1.00 0.37 C ATOM 540 CG ASP A 31 -4.319 6.143 1.920 1.00 0.43 C ATOM 541 OD1 ASP A 31 -3.207 6.694 1.745 1.00 1.51 O ATOM 542 OD2 ASP A 31 -5.422 6.726 1.836 1.00 1.69 O ATOM 0 H ASP A 31 -3.093 2.273 3.024 1.00 0.37 H new ATOM 0 HA ASP A 31 -2.707 4.259 0.873 1.00 0.35 H new ATOM 0 HB2 ASP A 31 -5.112 4.184 1.491 1.00 0.37 H new ATOM 0 HB3 ASP A 31 -4.674 4.423 3.171 1.00 0.37 H new ATOM 547 N LEU A 32 -0.816 4.782 2.469 1.00 0.33 N ATOM 548 CA LEU A 32 0.231 5.195 3.370 1.00 0.38 C ATOM 549 C LEU A 32 0.473 6.691 3.194 1.00 0.34 C ATOM 550 O LEU A 32 1.535 7.182 3.552 1.00 0.40 O ATOM 551 CB LEU A 32 1.494 4.355 3.160 1.00 0.51 C ATOM 552 CG LEU A 32 1.298 2.888 2.742 1.00 0.34 C ATOM 553 CD1 LEU A 32 2.679 2.269 2.659 1.00 0.40 C ATOM 554 CD2 LEU A 32 0.477 2.032 3.695 1.00 0.48 C ATOM 0 H LEU A 32 -0.548 4.763 1.485 1.00 0.33 H new ATOM 0 HA LEU A 32 -0.072 5.024 4.403 1.00 0.38 H new ATOM 0 HB2 LEU A 32 2.104 4.845 2.400 1.00 0.51 H new ATOM 0 HB3 LEU A 32 2.068 4.369 4.087 1.00 0.51 H new ATOM 0 HG LEU A 32 0.743 2.907 1.804 1.00 0.34 H new ATOM 0 HD11 LEU A 32 2.592 1.223 2.364 1.00 0.40 H new ATOM 0 HD12 LEU A 32 3.274 2.806 1.920 1.00 0.40 H new ATOM 0 HD13 LEU A 32 3.165 2.332 3.632 1.00 0.40 H new ATOM 0 HD21 LEU A 32 0.403 1.018 3.302 1.00 0.48 H new ATOM 0 HD22 LEU A 32 0.961 2.008 4.671 1.00 0.48 H new ATOM 0 HD23 LEU A 32 -0.522 2.456 3.796 1.00 0.48 H new ATOM 566 N THR A 33 -0.481 7.444 2.640 1.00 0.32 N ATOM 567 CA THR A 33 -0.285 8.864 2.366 1.00 0.35 C ATOM 568 C THR A 33 0.094 9.660 3.600 1.00 0.46 C ATOM 569 O THR A 33 0.966 10.521 3.537 1.00 0.61 O ATOM 570 CB THR A 33 -1.494 9.454 1.657 1.00 0.52 C ATOM 571 OG1 THR A 33 -1.057 10.519 0.832 1.00 1.47 O ATOM 572 CG2 THR A 33 -2.533 9.970 2.620 1.00 0.85 C ATOM 0 H THR A 33 -1.399 7.089 2.373 1.00 0.32 H new ATOM 0 HA THR A 33 0.569 8.940 1.693 1.00 0.35 H new ATOM 0 HB THR A 33 -1.959 8.661 1.071 1.00 0.52 H new ATOM 0 HG1 THR A 33 -0.297 10.970 1.255 1.00 1.47 H new ATOM 0 HG21 THR A 33 -3.375 10.380 2.062 1.00 0.85 H new ATOM 0 HG22 THR A 33 -2.881 9.153 3.252 1.00 0.85 H new ATOM 0 HG23 THR A 33 -2.096 10.750 3.243 1.00 0.85 H new ATOM 580 N LYS A 34 -0.576 9.394 4.717 1.00 0.51 N ATOM 581 CA LYS A 34 -0.332 10.125 5.947 1.00 0.60 C ATOM 582 C LYS A 34 0.803 9.461 6.724 1.00 0.55 C ATOM 583 O LYS A 34 1.204 9.965 7.763 1.00 0.63 O ATOM 584 CB LYS A 34 -1.653 10.216 6.733 1.00 0.73 C ATOM 585 CG LYS A 34 -2.029 11.668 7.053 1.00 1.66 C ATOM 586 CD LYS A 34 -1.497 12.068 8.435 1.00 2.09 C ATOM 587 CE LYS A 34 -1.789 13.538 8.762 1.00 3.16 C ATOM 588 NZ LYS A 34 -3.167 13.743 9.260 1.00 3.84 N ATOM 0 H LYS A 34 -1.294 8.674 4.791 1.00 0.51 H new ATOM 0 HA LYS A 34 -0.004 11.145 5.748 1.00 0.60 H new ATOM 0 HB2 LYS A 34 -2.452 9.753 6.154 1.00 0.73 H new ATOM 0 HB3 LYS A 34 -1.563 9.651 7.661 1.00 0.73 H new ATOM 0 HG2 LYS A 34 -1.619 12.332 6.292 1.00 1.66 H new ATOM 0 HG3 LYS A 34 -3.113 11.784 7.026 1.00 1.66 H new ATOM 0 HD2 LYS A 34 -1.949 11.431 9.195 1.00 2.09 H new ATOM 0 HD3 LYS A 34 -0.421 11.895 8.473 1.00 2.09 H new ATOM 0 HE2 LYS A 34 -1.079 13.888 9.511 1.00 3.16 H new ATOM 0 HE3 LYS A 34 -1.635 14.143 7.869 1.00 3.16 H new ATOM 0 HZ1 LYS A 34 -3.315 14.751 9.467 1.00 3.84 H new ATOM 0 HZ2 LYS A 34 -3.847 13.434 8.536 1.00 3.84 H new ATOM 0 HZ3 LYS A 34 -3.309 13.187 10.128 1.00 3.84 H new ATOM 602 N PHE A 35 1.320 8.346 6.201 1.00 0.46 N ATOM 603 CA PHE A 35 2.386 7.553 6.772 1.00 0.43 C ATOM 604 C PHE A 35 3.682 7.727 5.993 1.00 0.38 C ATOM 605 O PHE A 35 4.720 7.253 6.435 1.00 0.39 O ATOM 606 CB PHE A 35 1.966 6.092 6.709 1.00 0.40 C ATOM 607 CG PHE A 35 2.895 5.133 7.424 1.00 0.35 C ATOM 608 CD1 PHE A 35 3.208 5.329 8.780 1.00 1.47 C ATOM 609 CD2 PHE A 35 3.454 4.038 6.741 1.00 1.31 C ATOM 610 CE1 PHE A 35 4.071 4.442 9.444 1.00 1.49 C ATOM 611 CE2 PHE A 35 4.278 3.126 7.412 1.00 1.30 C ATOM 612 CZ PHE A 35 4.607 3.335 8.762 1.00 0.38 C ATOM 0 H PHE A 35 0.980 7.960 5.320 1.00 0.46 H new ATOM 0 HA PHE A 35 2.561 7.875 7.798 1.00 0.43 H new ATOM 0 HB2 PHE A 35 0.968 5.997 7.137 1.00 0.40 H new ATOM 0 HB3 PHE A 35 1.894 5.794 5.663 1.00 0.40 H new ATOM 0 HD1 PHE A 35 2.783 6.166 9.314 1.00 1.47 H new ATOM 0 HD2 PHE A 35 3.246 3.899 5.690 1.00 1.31 H new ATOM 0 HE1 PHE A 35 4.324 4.610 10.480 1.00 1.49 H new ATOM 0 HE2 PHE A 35 4.661 2.261 6.891 1.00 1.30 H new ATOM 0 HZ PHE A 35 5.267 2.650 9.273 1.00 0.38 H new ATOM 622 N LEU A 36 3.639 8.397 4.839 1.00 0.38 N ATOM 623 CA LEU A 36 4.807 8.692 4.028 1.00 0.43 C ATOM 624 C LEU A 36 5.894 9.295 4.902 1.00 0.52 C ATOM 625 O LEU A 36 6.909 8.656 5.154 1.00 0.52 O ATOM 626 CB LEU A 36 4.398 9.617 2.862 1.00 0.47 C ATOM 627 CG LEU A 36 3.833 8.936 1.607 1.00 0.50 C ATOM 628 CD1 LEU A 36 3.701 9.984 0.493 1.00 1.06 C ATOM 629 CD2 LEU A 36 4.682 7.751 1.155 1.00 0.66 C ATOM 0 H LEU A 36 2.771 8.754 4.440 1.00 0.38 H new ATOM 0 HA LEU A 36 5.214 7.779 3.593 1.00 0.43 H new ATOM 0 HB2 LEU A 36 3.653 10.321 3.232 1.00 0.47 H new ATOM 0 HB3 LEU A 36 5.270 10.201 2.569 1.00 0.47 H new ATOM 0 HG LEU A 36 2.852 8.527 1.846 1.00 0.50 H new ATOM 0 HD11 LEU A 36 3.300 9.513 -0.404 1.00 1.06 H new ATOM 0 HD12 LEU A 36 3.028 10.777 0.818 1.00 1.06 H new ATOM 0 HD13 LEU A 36 4.681 10.407 0.274 1.00 1.06 H new ATOM 0 HD21 LEU A 36 4.239 7.305 0.264 1.00 0.66 H new ATOM 0 HD22 LEU A 36 5.691 8.093 0.926 1.00 0.66 H new ATOM 0 HD23 LEU A 36 4.722 7.008 1.951 1.00 0.66 H new ATOM 641 N GLU A 37 5.654 10.477 5.457 1.00 0.70 N ATOM 642 CA GLU A 37 6.620 11.126 6.337 1.00 0.83 C ATOM 643 C GLU A 37 6.521 10.589 7.774 1.00 0.79 C ATOM 644 O GLU A 37 6.868 11.280 8.728 1.00 1.03 O ATOM 645 CB GLU A 37 6.433 12.645 6.241 1.00 1.08 C ATOM 646 CG GLU A 37 6.868 13.128 4.850 1.00 1.70 C ATOM 647 CD GLU A 37 6.571 14.615 4.663 1.00 1.97 C ATOM 648 OE1 GLU A 37 7.218 15.429 5.359 1.00 2.72 O ATOM 649 OE2 GLU A 37 5.678 14.921 3.839 1.00 2.70 O ATOM 0 H GLU A 37 4.795 11.008 5.313 1.00 0.70 H new ATOM 0 HA GLU A 37 7.635 10.891 6.015 1.00 0.83 H new ATOM 0 HB2 GLU A 37 5.390 12.905 6.418 1.00 1.08 H new ATOM 0 HB3 GLU A 37 7.021 13.144 7.011 1.00 1.08 H new ATOM 0 HG2 GLU A 37 7.935 12.948 4.717 1.00 1.70 H new ATOM 0 HG3 GLU A 37 6.350 12.552 4.084 1.00 1.70 H new ATOM 656 N GLU A 38 6.043 9.355 7.948 1.00 0.72 N ATOM 657 CA GLU A 38 5.895 8.699 9.238 1.00 0.71 C ATOM 658 C GLU A 38 6.394 7.241 9.218 1.00 0.56 C ATOM 659 O GLU A 38 6.296 6.562 10.241 1.00 0.65 O ATOM 660 CB GLU A 38 4.423 8.787 9.688 1.00 0.87 C ATOM 661 CG GLU A 38 4.219 9.694 10.908 1.00 1.28 C ATOM 662 CD GLU A 38 3.169 9.124 11.868 1.00 1.35 C ATOM 663 OE1 GLU A 38 2.018 8.919 11.421 1.00 1.77 O ATOM 664 OE2 GLU A 38 3.531 8.897 13.044 1.00 2.58 O ATOM 0 H GLU A 38 5.741 8.771 7.168 1.00 0.72 H new ATOM 0 HA GLU A 38 6.524 9.220 9.960 1.00 0.71 H new ATOM 0 HB2 GLU A 38 3.818 9.159 8.861 1.00 0.87 H new ATOM 0 HB3 GLU A 38 4.061 7.786 9.922 1.00 0.87 H new ATOM 0 HG2 GLU A 38 5.166 9.815 11.434 1.00 1.28 H new ATOM 0 HG3 GLU A 38 3.910 10.685 10.577 1.00 1.28 H new ATOM 671 N HIS A 39 6.939 6.740 8.098 1.00 0.50 N ATOM 672 CA HIS A 39 7.399 5.364 7.985 1.00 0.45 C ATOM 673 C HIS A 39 8.876 5.292 8.373 1.00 0.60 C ATOM 674 O HIS A 39 9.683 6.045 7.827 1.00 0.99 O ATOM 675 CB HIS A 39 7.161 4.855 6.562 1.00 0.56 C ATOM 676 CG HIS A 39 7.778 3.516 6.224 1.00 0.42 C ATOM 677 ND1 HIS A 39 8.756 3.388 5.287 1.00 0.55 N ATOM 678 CD2 HIS A 39 7.436 2.251 6.638 1.00 0.48 C ATOM 679 CE1 HIS A 39 8.997 2.089 5.090 1.00 0.59 C ATOM 680 NE2 HIS A 39 8.201 1.349 5.877 1.00 0.42 N ATOM 0 H HIS A 39 7.069 7.287 7.247 1.00 0.50 H new ATOM 0 HA HIS A 39 6.838 4.722 8.664 1.00 0.45 H new ATOM 0 HB2 HIS A 39 6.086 4.789 6.396 1.00 0.56 H new ATOM 0 HB3 HIS A 39 7.547 5.597 5.863 1.00 0.56 H new ATOM 0 HD1 HIS A 39 9.228 4.158 4.813 1.00 0.55 H new ATOM 0 HD2 HIS A 39 6.716 1.998 7.403 1.00 0.48 H new ATOM 0 HE1 HIS A 39 9.726 1.692 4.399 1.00 0.59 H new ATOM 688 N PRO A 40 9.248 4.400 9.304 1.00 0.59 N ATOM 689 CA PRO A 40 10.619 4.229 9.744 1.00 0.73 C ATOM 690 C PRO A 40 11.435 3.545 8.650 1.00 1.27 C ATOM 691 O PRO A 40 11.477 2.321 8.555 1.00 2.23 O ATOM 692 CB PRO A 40 10.549 3.418 11.039 1.00 0.80 C ATOM 693 CG PRO A 40 9.216 2.681 10.961 1.00 1.16 C ATOM 694 CD PRO A 40 8.359 3.476 9.983 1.00 0.97 C ATOM 0 HA PRO A 40 11.122 5.177 9.935 1.00 0.73 H new ATOM 0 HB2 PRO A 40 11.383 2.721 11.115 1.00 0.80 H new ATOM 0 HB3 PRO A 40 10.593 4.065 11.915 1.00 0.80 H new ATOM 0 HG2 PRO A 40 9.355 1.657 10.616 1.00 1.16 H new ATOM 0 HG3 PRO A 40 8.742 2.626 11.941 1.00 1.16 H new ATOM 0 HD2 PRO A 40 7.871 2.813 9.269 1.00 0.97 H new ATOM 0 HD3 PRO A 40 7.570 4.014 10.509 1.00 0.97 H new ATOM 702 N GLY A 41 12.086 4.351 7.813 1.00 0.89 N ATOM 703 CA GLY A 41 12.958 3.868 6.763 1.00 1.35 C ATOM 704 C GLY A 41 12.936 4.844 5.599 1.00 0.87 C ATOM 705 O GLY A 41 13.881 5.606 5.425 1.00 0.86 O ATOM 0 H GLY A 41 12.017 5.368 7.852 1.00 0.89 H new ATOM 0 HA2 GLY A 41 13.975 3.759 7.141 1.00 1.35 H new ATOM 0 HA3 GLY A 41 12.634 2.882 6.431 1.00 1.35 H new ATOM 709 N GLY A 42 11.877 4.816 4.789 1.00 0.83 N ATOM 710 CA GLY A 42 11.784 5.732 3.661 1.00 0.81 C ATOM 711 C GLY A 42 10.362 5.973 3.179 1.00 0.85 C ATOM 712 O GLY A 42 9.554 5.055 3.125 1.00 1.57 O ATOM 0 H GLY A 42 11.087 4.180 4.893 1.00 0.83 H new ATOM 0 HA2 GLY A 42 12.228 6.687 3.943 1.00 0.81 H new ATOM 0 HA3 GLY A 42 12.375 5.337 2.835 1.00 0.81 H new ATOM 716 N GLU A 43 10.085 7.189 2.734 1.00 0.57 N ATOM 717 CA GLU A 43 8.835 7.532 2.065 1.00 0.58 C ATOM 718 C GLU A 43 8.860 7.287 0.552 1.00 0.63 C ATOM 719 O GLU A 43 7.825 6.967 -0.031 1.00 0.57 O ATOM 720 CB GLU A 43 8.478 8.992 2.353 1.00 0.67 C ATOM 721 CG GLU A 43 9.395 10.053 1.729 1.00 1.12 C ATOM 722 CD GLU A 43 10.391 10.574 2.758 1.00 2.12 C ATOM 723 OE1 GLU A 43 11.283 9.774 3.123 1.00 3.62 O ATOM 724 OE2 GLU A 43 10.240 11.744 3.168 1.00 2.74 O ATOM 0 H GLU A 43 10.728 7.976 2.827 1.00 0.57 H new ATOM 0 HA GLU A 43 8.073 6.866 2.470 1.00 0.58 H new ATOM 0 HB2 GLU A 43 7.461 9.171 2.004 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.474 9.136 3.433 1.00 0.67 H new ATOM 0 HG2 GLU A 43 9.930 9.626 0.881 1.00 1.12 H new ATOM 0 HG3 GLU A 43 8.796 10.878 1.345 1.00 1.12 H new ATOM 731 N GLU A 44 10.016 7.429 -0.108 1.00 0.75 N ATOM 732 CA GLU A 44 10.009 7.361 -1.583 1.00 0.76 C ATOM 733 C GLU A 44 9.707 5.946 -2.005 1.00 0.68 C ATOM 734 O GLU A 44 8.915 5.748 -2.919 1.00 0.61 O ATOM 735 CB GLU A 44 11.334 7.761 -2.229 1.00 0.96 C ATOM 736 CG GLU A 44 11.342 7.625 -3.774 1.00 1.47 C ATOM 737 CD GLU A 44 11.097 8.942 -4.509 1.00 2.44 C ATOM 738 OE1 GLU A 44 10.159 9.662 -4.098 1.00 3.62 O ATOM 739 OE2 GLU A 44 11.829 9.196 -5.491 1.00 3.11 O ATOM 0 H GLU A 44 10.927 7.584 0.324 1.00 0.75 H new ATOM 0 HA GLU A 44 9.252 8.071 -1.916 1.00 0.76 H new ATOM 0 HB2 GLU A 44 11.560 8.794 -1.963 1.00 0.96 H new ATOM 0 HB3 GLU A 44 12.131 7.143 -1.815 1.00 0.96 H new ATOM 0 HG2 GLU A 44 12.302 7.217 -4.089 1.00 1.47 H new ATOM 0 HG3 GLU A 44 10.578 6.906 -4.070 1.00 1.47 H new ATOM 746 N VAL A 45 10.263 4.950 -1.309 1.00 0.75 N ATOM 747 CA VAL A 45 9.881 3.576 -1.610 1.00 0.73 C ATOM 748 C VAL A 45 8.367 3.387 -1.641 1.00 0.63 C ATOM 749 O VAL A 45 7.854 2.541 -2.374 1.00 0.67 O ATOM 750 CB VAL A 45 10.489 2.631 -0.575 1.00 0.81 C ATOM 751 CG1 VAL A 45 11.931 2.323 -0.959 1.00 1.30 C ATOM 752 CG2 VAL A 45 10.417 3.185 0.855 1.00 0.97 C ATOM 0 H VAL A 45 10.951 5.064 -0.564 1.00 0.75 H new ATOM 0 HA VAL A 45 10.263 3.345 -2.604 1.00 0.73 H new ATOM 0 HB VAL A 45 9.898 1.715 -0.577 1.00 0.81 H new ATOM 0 HG11 VAL A 45 12.368 1.649 -0.222 1.00 1.30 H new ATOM 0 HG12 VAL A 45 11.953 1.851 -1.941 1.00 1.30 H new ATOM 0 HG13 VAL A 45 12.505 3.249 -0.989 1.00 1.30 H new ATOM 0 HG21 VAL A 45 10.864 2.470 1.545 1.00 0.97 H new ATOM 0 HG22 VAL A 45 10.960 4.128 0.908 1.00 0.97 H new ATOM 0 HG23 VAL A 45 9.375 3.351 1.129 1.00 0.97 H new ATOM 762 N LEU A 46 7.640 4.198 -0.875 1.00 0.56 N ATOM 763 CA LEU A 46 6.196 3.926 -0.790 1.00 0.44 C ATOM 764 C LEU A 46 5.518 4.513 -2.024 1.00 0.40 C ATOM 765 O LEU A 46 4.475 4.029 -2.462 1.00 0.43 O ATOM 766 CB LEU A 46 5.623 4.493 0.508 1.00 0.43 C ATOM 767 CG LEU A 46 6.331 3.983 1.781 1.00 0.57 C ATOM 768 CD1 LEU A 46 5.379 3.807 2.969 1.00 0.89 C ATOM 769 CD2 LEU A 46 6.994 2.615 1.653 1.00 0.67 C ATOM 0 H LEU A 46 7.987 4.993 -0.339 1.00 0.56 H new ATOM 0 HA LEU A 46 6.011 2.852 -0.770 1.00 0.44 H new ATOM 0 HB2 LEU A 46 5.690 5.581 0.478 1.00 0.43 H new ATOM 0 HB3 LEU A 46 4.564 4.240 0.567 1.00 0.43 H new ATOM 0 HG LEU A 46 7.073 4.766 1.935 1.00 0.57 H new ATOM 0 HD11 LEU A 46 5.938 3.446 3.833 1.00 0.89 H new ATOM 0 HD12 LEU A 46 4.917 4.764 3.210 1.00 0.89 H new ATOM 0 HD13 LEU A 46 4.604 3.085 2.711 1.00 0.89 H new ATOM 0 HD21 LEU A 46 7.463 2.348 2.600 1.00 0.67 H new ATOM 0 HD22 LEU A 46 6.242 1.869 1.397 1.00 0.67 H new ATOM 0 HD23 LEU A 46 7.752 2.650 0.870 1.00 0.67 H new ATOM 781 N ARG A 47 6.142 5.525 -2.631 1.00 0.40 N ATOM 782 CA ARG A 47 5.670 6.111 -3.867 1.00 0.41 C ATOM 783 C ARG A 47 6.191 5.358 -5.094 1.00 0.43 C ATOM 784 O ARG A 47 5.550 5.383 -6.140 1.00 0.46 O ATOM 785 CB ARG A 47 6.121 7.568 -3.914 1.00 0.44 C ATOM 786 CG ARG A 47 5.210 8.342 -4.864 1.00 0.96 C ATOM 787 CD ARG A 47 5.931 9.583 -5.385 1.00 1.31 C ATOM 788 NE ARG A 47 5.144 10.234 -6.441 1.00 2.21 N ATOM 789 CZ ARG A 47 4.972 9.753 -7.680 1.00 3.47 C ATOM 790 NH1 ARG A 47 5.566 8.620 -8.060 1.00 4.32 N ATOM 791 NH2 ARG A 47 4.191 10.408 -8.540 1.00 4.60 N ATOM 0 H ARG A 47 6.993 5.956 -2.269 1.00 0.40 H new ATOM 0 HA ARG A 47 4.582 6.045 -3.892 1.00 0.41 H new ATOM 0 HB2 ARG A 47 6.083 8.006 -2.917 1.00 0.44 H new ATOM 0 HB3 ARG A 47 7.156 7.631 -4.251 1.00 0.44 H new ATOM 0 HG2 ARG A 47 4.916 7.705 -5.698 1.00 0.96 H new ATOM 0 HG3 ARG A 47 4.295 8.633 -4.347 1.00 0.96 H new ATOM 0 HD2 ARG A 47 6.100 10.283 -4.566 1.00 1.31 H new ATOM 0 HD3 ARG A 47 6.911 9.305 -5.773 1.00 1.31 H new ATOM 0 HE ARG A 47 4.694 11.121 -6.214 1.00 2.21 H new ATOM 0 HH11 ARG A 47 6.158 8.110 -7.405 1.00 4.32 H new ATOM 0 HH12 ARG A 47 5.427 8.264 -9.006 1.00 4.32 H new ATOM 0 HH21 ARG A 47 3.728 11.271 -8.254 1.00 4.60 H new ATOM 0 HH22 ARG A 47 4.057 10.046 -9.484 1.00 4.60 H new ATOM 805 N GLU A 48 7.325 4.669 -4.989 1.00 0.46 N ATOM 806 CA GLU A 48 7.912 3.905 -6.089 1.00 0.50 C ATOM 807 C GLU A 48 7.062 2.677 -6.386 1.00 0.48 C ATOM 808 O GLU A 48 7.130 2.120 -7.477 1.00 0.57 O ATOM 809 CB GLU A 48 9.347 3.479 -5.721 1.00 0.54 C ATOM 810 CG GLU A 48 10.413 4.284 -6.484 1.00 0.67 C ATOM 811 CD GLU A 48 11.285 3.380 -7.357 1.00 1.03 C ATOM 812 OE1 GLU A 48 12.118 2.652 -6.770 1.00 1.82 O ATOM 813 OE2 GLU A 48 11.112 3.432 -8.594 1.00 2.16 O ATOM 0 H GLU A 48 7.869 4.625 -4.127 1.00 0.46 H new ATOM 0 HA GLU A 48 7.944 4.532 -6.980 1.00 0.50 H new ATOM 0 HB2 GLU A 48 9.497 3.607 -4.649 1.00 0.54 H new ATOM 0 HB3 GLU A 48 9.474 2.418 -5.936 1.00 0.54 H new ATOM 0 HG2 GLU A 48 9.926 5.033 -7.108 1.00 0.67 H new ATOM 0 HG3 GLU A 48 11.042 4.821 -5.774 1.00 0.67 H new ATOM 820 N GLN A 49 6.224 2.285 -5.428 1.00 0.42 N ATOM 821 CA GLN A 49 5.317 1.164 -5.557 1.00 0.44 C ATOM 822 C GLN A 49 3.869 1.635 -5.442 1.00 0.42 C ATOM 823 O GLN A 49 2.945 0.831 -5.352 1.00 0.44 O ATOM 824 CB GLN A 49 5.658 0.166 -4.462 1.00 0.44 C ATOM 825 CG GLN A 49 7.061 -0.433 -4.629 1.00 0.53 C ATOM 826 CD GLN A 49 7.105 -1.456 -5.766 1.00 1.18 C ATOM 827 OE1 GLN A 49 6.162 -1.570 -6.541 1.00 1.83 O ATOM 828 NE2 GLN A 49 8.174 -2.231 -5.877 1.00 1.47 N ATOM 0 H GLN A 49 6.161 2.753 -4.524 1.00 0.42 H new ATOM 0 HA GLN A 49 5.425 0.693 -6.534 1.00 0.44 H new ATOM 0 HB2 GLN A 49 5.590 0.658 -3.492 1.00 0.44 H new ATOM 0 HB3 GLN A 49 4.921 -0.637 -4.464 1.00 0.44 H new ATOM 0 HG2 GLN A 49 7.776 0.365 -4.829 1.00 0.53 H new ATOM 0 HG3 GLN A 49 7.367 -0.910 -3.698 1.00 0.53 H new ATOM 0 HE21 GLN A 49 8.951 -2.125 -5.225 1.00 1.47 H new ATOM 0 HE22 GLN A 49 8.220 -2.934 -6.615 1.00 1.47 H new ATOM 837 N ALA A 50 3.656 2.948 -5.423 1.00 0.42 N ATOM 838 CA ALA A 50 2.318 3.508 -5.411 1.00 0.46 C ATOM 839 C ALA A 50 1.508 2.988 -6.596 1.00 0.44 C ATOM 840 O ALA A 50 2.039 2.808 -7.691 1.00 0.48 O ATOM 841 CB ALA A 50 2.368 5.028 -5.434 1.00 0.57 C ATOM 0 H ALA A 50 4.402 3.644 -5.416 1.00 0.42 H new ATOM 0 HA ALA A 50 1.828 3.194 -4.489 1.00 0.46 H new ATOM 0 HB1 ALA A 50 1.353 5.426 -5.425 1.00 0.57 H new ATOM 0 HB2 ALA A 50 2.907 5.388 -4.557 1.00 0.57 H new ATOM 0 HB3 ALA A 50 2.880 5.362 -6.337 1.00 0.57 H new ATOM 847 N GLY A 51 0.216 2.741 -6.372 1.00 0.45 N ATOM 848 CA GLY A 51 -0.665 2.121 -7.353 1.00 0.48 C ATOM 849 C GLY A 51 -0.086 0.828 -7.942 1.00 0.45 C ATOM 850 O GLY A 51 -0.450 0.448 -9.057 1.00 0.52 O ATOM 0 H GLY A 51 -0.249 2.970 -5.494 1.00 0.45 H new ATOM 0 HA2 GLY A 51 -1.625 1.903 -6.885 1.00 0.48 H new ATOM 0 HA3 GLY A 51 -0.857 2.828 -8.160 1.00 0.48 H new ATOM 854 N GLY A 52 0.823 0.156 -7.229 1.00 0.40 N ATOM 855 CA GLY A 52 1.579 -0.969 -7.742 1.00 0.42 C ATOM 856 C GLY A 52 1.849 -1.964 -6.622 1.00 0.40 C ATOM 857 O GLY A 52 1.563 -1.700 -5.458 1.00 0.39 O ATOM 0 H GLY A 52 1.051 0.390 -6.263 1.00 0.40 H new ATOM 0 HA2 GLY A 52 1.026 -1.454 -8.546 1.00 0.42 H new ATOM 0 HA3 GLY A 52 2.521 -0.622 -8.167 1.00 0.42 H new ATOM 861 N ASP A 53 2.341 -3.145 -6.985 1.00 0.52 N ATOM 862 CA ASP A 53 2.433 -4.270 -6.065 1.00 0.60 C ATOM 863 C ASP A 53 3.660 -4.120 -5.172 1.00 0.67 C ATOM 864 O ASP A 53 4.719 -4.680 -5.434 1.00 1.01 O ATOM 865 CB ASP A 53 2.467 -5.591 -6.848 1.00 0.70 C ATOM 866 CG ASP A 53 1.748 -6.742 -6.143 1.00 2.17 C ATOM 867 OD1 ASP A 53 1.242 -6.524 -5.023 1.00 3.45 O ATOM 868 OD2 ASP A 53 1.696 -7.844 -6.728 1.00 2.92 O ATOM 0 H ASP A 53 2.686 -3.347 -7.923 1.00 0.52 H new ATOM 0 HA ASP A 53 1.552 -4.283 -5.423 1.00 0.60 H new ATOM 0 HB2 ASP A 53 2.012 -5.435 -7.826 1.00 0.70 H new ATOM 0 HB3 ASP A 53 3.505 -5.874 -7.021 1.00 0.70 H new ATOM 873 N ALA A 54 3.545 -3.368 -4.083 1.00 0.52 N ATOM 874 CA ALA A 54 4.706 -3.166 -3.238 1.00 0.51 C ATOM 875 C ALA A 54 5.008 -4.405 -2.408 1.00 0.53 C ATOM 876 O ALA A 54 6.004 -4.427 -1.694 1.00 0.52 O ATOM 877 CB ALA A 54 4.481 -1.970 -2.324 1.00 0.49 C ATOM 0 H ALA A 54 2.690 -2.905 -3.775 1.00 0.52 H new ATOM 0 HA ALA A 54 5.564 -2.974 -3.882 1.00 0.51 H new ATOM 0 HB1 ALA A 54 5.357 -1.825 -1.692 1.00 0.49 H new ATOM 0 HB2 ALA A 54 4.316 -1.077 -2.927 1.00 0.49 H new ATOM 0 HB3 ALA A 54 3.608 -2.150 -1.697 1.00 0.49 H new ATOM 883 N THR A 55 4.147 -5.421 -2.459 1.00 0.61 N ATOM 884 CA THR A 55 4.246 -6.602 -1.625 1.00 0.70 C ATOM 885 C THR A 55 5.584 -7.286 -1.806 1.00 0.73 C ATOM 886 O THR A 55 6.115 -7.819 -0.842 1.00 0.77 O ATOM 887 CB THR A 55 3.137 -7.575 -2.013 1.00 0.81 C ATOM 888 OG1 THR A 55 1.988 -6.859 -2.380 1.00 1.23 O ATOM 889 CG2 THR A 55 2.755 -8.439 -0.822 1.00 1.57 C ATOM 0 H THR A 55 3.350 -5.439 -3.095 1.00 0.61 H new ATOM 0 HA THR A 55 4.149 -6.300 -0.582 1.00 0.70 H new ATOM 0 HB THR A 55 3.501 -8.190 -2.836 1.00 0.81 H new ATOM 0 HG1 THR A 55 1.894 -6.869 -3.355 1.00 1.23 H new ATOM 0 HG21 THR A 55 1.963 -9.129 -1.112 1.00 1.57 H new ATOM 0 HG22 THR A 55 3.625 -9.005 -0.489 1.00 1.57 H new ATOM 0 HG23 THR A 55 2.403 -7.803 -0.009 1.00 1.57 H new ATOM 897 N GLU A 56 6.131 -7.254 -3.024 1.00 0.75 N ATOM 898 CA GLU A 56 7.441 -7.816 -3.289 1.00 0.81 C ATOM 899 C GLU A 56 8.469 -7.189 -2.354 1.00 0.76 C ATOM 900 O GLU A 56 9.223 -7.913 -1.724 1.00 0.96 O ATOM 901 CB GLU A 56 7.813 -7.627 -4.768 1.00 0.89 C ATOM 902 CG GLU A 56 7.989 -6.147 -5.148 1.00 2.25 C ATOM 903 CD GLU A 56 8.213 -5.928 -6.644 1.00 2.98 C ATOM 904 OE1 GLU A 56 9.010 -6.700 -7.221 1.00 2.94 O ATOM 905 OE2 GLU A 56 7.643 -4.950 -7.178 1.00 4.38 O ATOM 0 H GLU A 56 5.678 -6.841 -3.839 1.00 0.75 H new ATOM 0 HA GLU A 56 7.426 -8.889 -3.095 1.00 0.81 H new ATOM 0 HB2 GLU A 56 8.737 -8.165 -4.978 1.00 0.89 H new ATOM 0 HB3 GLU A 56 7.038 -8.069 -5.393 1.00 0.89 H new ATOM 0 HG2 GLU A 56 7.105 -5.591 -4.835 1.00 2.25 H new ATOM 0 HG3 GLU A 56 8.835 -5.736 -4.597 1.00 2.25 H new ATOM 912 N ASN A 57 8.463 -5.862 -2.200 1.00 0.64 N ATOM 913 CA ASN A 57 9.391 -5.175 -1.317 1.00 0.62 C ATOM 914 C ASN A 57 9.054 -5.534 0.108 1.00 0.62 C ATOM 915 O ASN A 57 9.941 -5.918 0.865 1.00 0.66 O ATOM 916 CB ASN A 57 9.274 -3.652 -1.448 1.00 0.59 C ATOM 917 CG ASN A 57 10.207 -3.074 -2.494 1.00 0.85 C ATOM 918 OD1 ASN A 57 9.880 -3.015 -3.671 1.00 2.09 O ATOM 919 ND2 ASN A 57 11.375 -2.604 -2.079 1.00 1.53 N ATOM 0 H ASN A 57 7.815 -5.242 -2.685 1.00 0.64 H new ATOM 0 HA ASN A 57 10.402 -5.479 -1.589 1.00 0.62 H new ATOM 0 HB2 ASN A 57 8.246 -3.393 -1.703 1.00 0.59 H new ATOM 0 HB3 ASN A 57 9.489 -3.192 -0.483 1.00 0.59 H new ATOM 0 HD21 ASN A 57 12.021 -2.183 -2.746 1.00 1.53 H new ATOM 0 HD22 ASN A 57 11.627 -2.664 -1.092 1.00 1.53 H new ATOM 926 N PHE A 58 7.782 -5.363 0.484 1.00 0.62 N ATOM 927 CA PHE A 58 7.435 -5.656 1.891 1.00 0.57 C ATOM 928 C PHE A 58 7.913 -7.052 2.351 1.00 0.64 C ATOM 929 O PHE A 58 8.366 -7.208 3.486 1.00 0.64 O ATOM 930 CB PHE A 58 5.931 -5.474 2.096 1.00 0.63 C ATOM 931 CG PHE A 58 5.440 -5.481 3.537 1.00 0.71 C ATOM 932 CD1 PHE A 58 5.356 -6.680 4.272 1.00 1.70 C ATOM 933 CD2 PHE A 58 5.018 -4.280 4.136 1.00 1.76 C ATOM 934 CE1 PHE A 58 4.862 -6.673 5.589 1.00 1.82 C ATOM 935 CE2 PHE A 58 4.528 -4.272 5.453 1.00 1.94 C ATOM 936 CZ PHE A 58 4.445 -5.469 6.182 1.00 1.26 C ATOM 0 H PHE A 58 7.018 -5.046 -0.113 1.00 0.62 H new ATOM 0 HA PHE A 58 7.969 -4.945 2.522 1.00 0.57 H new ATOM 0 HB2 PHE A 58 5.635 -4.530 1.639 1.00 0.63 H new ATOM 0 HB3 PHE A 58 5.414 -6.266 1.555 1.00 0.63 H new ATOM 0 HD1 PHE A 58 5.673 -7.609 3.822 1.00 1.70 H new ATOM 0 HD2 PHE A 58 5.071 -3.356 3.579 1.00 1.76 H new ATOM 0 HE1 PHE A 58 4.803 -7.596 6.146 1.00 1.82 H new ATOM 0 HE2 PHE A 58 4.214 -3.343 5.906 1.00 1.94 H new ATOM 0 HZ PHE A 58 4.063 -5.465 7.192 1.00 1.26 H new ATOM 946 N GLU A 59 7.838 -8.056 1.476 1.00 0.72 N ATOM 947 CA GLU A 59 8.237 -9.429 1.763 1.00 0.85 C ATOM 948 C GLU A 59 9.754 -9.587 1.719 1.00 0.88 C ATOM 949 O GLU A 59 10.317 -10.189 2.627 1.00 0.96 O ATOM 950 CB GLU A 59 7.599 -10.373 0.733 1.00 0.98 C ATOM 951 CG GLU A 59 6.291 -10.973 1.257 1.00 1.24 C ATOM 952 CD GLU A 59 6.534 -12.081 2.289 1.00 1.47 C ATOM 953 OE1 GLU A 59 6.784 -13.226 1.851 1.00 2.03 O ATOM 954 OE2 GLU A 59 6.418 -11.785 3.501 1.00 2.30 O ATOM 0 H GLU A 59 7.489 -7.931 0.526 1.00 0.72 H new ATOM 0 HA GLU A 59 7.895 -9.679 2.767 1.00 0.85 H new ATOM 0 HB2 GLU A 59 7.406 -9.828 -0.191 1.00 0.98 H new ATOM 0 HB3 GLU A 59 8.297 -11.174 0.491 1.00 0.98 H new ATOM 0 HG2 GLU A 59 5.687 -10.185 1.708 1.00 1.24 H new ATOM 0 HG3 GLU A 59 5.718 -11.376 0.422 1.00 1.24 H new ATOM 961 N ASP A 60 10.412 -9.057 0.683 1.00 0.89 N ATOM 962 CA ASP A 60 11.852 -9.214 0.472 1.00 1.02 C ATOM 963 C ASP A 60 12.601 -8.678 1.681 1.00 0.92 C ATOM 964 O ASP A 60 13.546 -9.289 2.171 1.00 1.04 O ATOM 965 CB ASP A 60 12.320 -8.435 -0.769 1.00 1.10 C ATOM 966 CG ASP A 60 13.506 -9.116 -1.445 1.00 1.40 C ATOM 967 OD1 ASP A 60 13.281 -10.213 -2.003 1.00 2.34 O ATOM 968 OD2 ASP A 60 14.607 -8.522 -1.427 1.00 2.02 O ATOM 0 H ASP A 60 9.954 -8.501 -0.039 1.00 0.89 H new ATOM 0 HA ASP A 60 12.057 -10.275 0.326 1.00 1.02 H new ATOM 0 HB2 ASP A 60 11.496 -8.350 -1.478 1.00 1.10 H new ATOM 0 HB3 ASP A 60 12.598 -7.422 -0.480 1.00 1.10 H new ATOM 973 N VAL A 61 12.140 -7.524 2.175 1.00 0.78 N ATOM 974 CA VAL A 61 12.685 -6.914 3.375 1.00 0.79 C ATOM 975 C VAL A 61 12.512 -7.887 4.535 1.00 0.71 C ATOM 976 O VAL A 61 13.429 -8.061 5.334 1.00 0.83 O ATOM 977 CB VAL A 61 11.980 -5.577 3.664 1.00 1.02 C ATOM 978 CG1 VAL A 61 12.436 -4.962 4.995 1.00 1.68 C ATOM 979 CG2 VAL A 61 12.249 -4.559 2.543 1.00 1.89 C ATOM 0 H VAL A 61 11.380 -6.994 1.749 1.00 0.78 H new ATOM 0 HA VAL A 61 13.745 -6.702 3.238 1.00 0.79 H new ATOM 0 HB VAL A 61 10.914 -5.799 3.721 1.00 1.02 H new ATOM 0 HG11 VAL A 61 11.913 -4.020 5.159 1.00 1.68 H new ATOM 0 HG12 VAL A 61 12.209 -5.649 5.810 1.00 1.68 H new ATOM 0 HG13 VAL A 61 13.510 -4.780 4.963 1.00 1.68 H new ATOM 0 HG21 VAL A 61 11.740 -3.623 2.772 1.00 1.89 H new ATOM 0 HG22 VAL A 61 13.321 -4.379 2.465 1.00 1.89 H new ATOM 0 HG23 VAL A 61 11.877 -4.953 1.597 1.00 1.89 H new ATOM 989 N GLY A 62 11.333 -8.505 4.644 1.00 0.67 N ATOM 990 CA GLY A 62 11.085 -9.452 5.717 1.00 0.76 C ATOM 991 C GLY A 62 10.605 -8.695 6.948 1.00 0.83 C ATOM 992 O GLY A 62 11.062 -8.972 8.056 1.00 1.70 O ATOM 0 H GLY A 62 10.548 -8.365 4.008 1.00 0.67 H new ATOM 0 HA2 GLY A 62 10.337 -10.182 5.409 1.00 0.76 H new ATOM 0 HA3 GLY A 62 11.995 -10.006 5.947 1.00 0.76 H new ATOM 996 N HIS A 63 9.718 -7.714 6.727 1.00 0.66 N ATOM 997 CA HIS A 63 9.257 -6.731 7.701 1.00 0.56 C ATOM 998 C HIS A 63 8.982 -7.327 9.085 1.00 0.64 C ATOM 999 O HIS A 63 8.447 -8.431 9.201 1.00 1.37 O ATOM 1000 CB HIS A 63 7.981 -6.057 7.166 1.00 0.57 C ATOM 1001 CG HIS A 63 8.186 -4.773 6.406 1.00 0.53 C ATOM 1002 ND1 HIS A 63 8.560 -4.680 5.094 1.00 0.49 N ATOM 1003 CD2 HIS A 63 7.965 -3.504 6.874 1.00 0.52 C ATOM 1004 CE1 HIS A 63 8.574 -3.377 4.765 1.00 0.47 C ATOM 1005 NE2 HIS A 63 8.214 -2.620 5.819 1.00 0.47 N ATOM 0 H HIS A 63 9.284 -7.584 5.813 1.00 0.66 H new ATOM 0 HA HIS A 63 10.060 -6.006 7.831 1.00 0.56 H new ATOM 0 HB2 HIS A 63 7.465 -6.763 6.516 1.00 0.57 H new ATOM 0 HB3 HIS A 63 7.318 -5.857 8.008 1.00 0.57 H new ATOM 0 HD1 HIS A 63 8.787 -5.459 4.476 1.00 0.49 H new ATOM 0 HD2 HIS A 63 7.656 -3.236 7.873 1.00 0.52 H new ATOM 0 HE1 HIS A 63 8.837 -2.991 3.791 1.00 0.47 H new ATOM 1013 N SER A 64 9.291 -6.557 10.135 1.00 0.47 N ATOM 1014 CA SER A 64 9.051 -6.932 11.520 1.00 0.63 C ATOM 1015 C SER A 64 7.569 -7.185 11.818 1.00 0.66 C ATOM 1016 O SER A 64 6.673 -6.775 11.079 1.00 0.62 O ATOM 1017 CB SER A 64 9.571 -5.801 12.407 1.00 0.78 C ATOM 1018 OG SER A 64 10.898 -5.490 12.047 1.00 1.91 O ATOM 0 H SER A 64 9.723 -5.639 10.036 1.00 0.47 H new ATOM 0 HA SER A 64 9.571 -7.869 11.720 1.00 0.63 H new ATOM 0 HB2 SER A 64 8.938 -4.920 12.299 1.00 0.78 H new ATOM 0 HB3 SER A 64 9.528 -6.098 13.455 1.00 0.78 H new ATOM 0 HG SER A 64 11.283 -4.881 12.711 1.00 1.91 H new ATOM 1024 N THR A 65 7.292 -7.828 12.951 1.00 0.87 N ATOM 1025 CA THR A 65 5.947 -8.211 13.331 1.00 1.02 C ATOM 1026 C THR A 65 5.063 -6.994 13.595 1.00 0.86 C ATOM 1027 O THR A 65 3.956 -6.921 13.071 1.00 0.90 O ATOM 1028 CB THR A 65 6.085 -9.107 14.558 1.00 1.33 C ATOM 1029 OG1 THR A 65 6.804 -10.258 14.170 1.00 1.55 O ATOM 1030 CG2 THR A 65 4.741 -9.501 15.155 1.00 1.53 C ATOM 0 H THR A 65 8.004 -8.096 13.631 1.00 0.87 H new ATOM 0 HA THR A 65 5.450 -8.747 12.523 1.00 1.02 H new ATOM 0 HB THR A 65 6.611 -8.555 15.337 1.00 1.33 H new ATOM 0 HG1 THR A 65 6.910 -10.853 14.941 1.00 1.55 H new ATOM 0 HG21 THR A 65 4.902 -10.138 16.025 1.00 1.53 H new ATOM 0 HG22 THR A 65 4.200 -8.604 15.457 1.00 1.53 H new ATOM 0 HG23 THR A 65 4.157 -10.043 14.411 1.00 1.53 H new ATOM 1038 N ASP A 66 5.552 -6.020 14.364 1.00 0.81 N ATOM 1039 CA ASP A 66 4.809 -4.789 14.648 1.00 0.80 C ATOM 1040 C ASP A 66 4.485 -4.063 13.335 1.00 0.69 C ATOM 1041 O ASP A 66 3.450 -3.423 13.155 1.00 0.71 O ATOM 1042 CB ASP A 66 5.681 -3.914 15.564 1.00 0.96 C ATOM 1043 CG ASP A 66 4.864 -3.115 16.575 1.00 1.65 C ATOM 1044 OD1 ASP A 66 3.913 -2.438 16.137 1.00 3.13 O ATOM 1045 OD2 ASP A 66 5.234 -3.183 17.768 1.00 2.10 O ATOM 0 H ASP A 66 6.470 -6.061 14.806 1.00 0.81 H new ATOM 0 HA ASP A 66 3.864 -5.010 15.145 1.00 0.80 H new ATOM 0 HB2 ASP A 66 6.389 -4.548 16.097 1.00 0.96 H new ATOM 0 HB3 ASP A 66 6.266 -3.227 14.953 1.00 0.96 H new ATOM 1050 N ALA A 67 5.347 -4.249 12.336 1.00 0.64 N ATOM 1051 CA ALA A 67 5.126 -3.701 11.017 1.00 0.60 C ATOM 1052 C ALA A 67 3.928 -4.373 10.347 1.00 0.58 C ATOM 1053 O ALA A 67 3.111 -3.702 9.721 1.00 0.62 O ATOM 1054 CB ALA A 67 6.399 -3.882 10.194 1.00 0.68 C ATOM 0 H ALA A 67 6.212 -4.783 12.427 1.00 0.64 H new ATOM 0 HA ALA A 67 4.896 -2.638 11.091 1.00 0.60 H new ATOM 0 HB1 ALA A 67 6.248 -3.473 9.195 1.00 0.68 H new ATOM 0 HB2 ALA A 67 7.223 -3.359 10.679 1.00 0.68 H new ATOM 0 HB3 ALA A 67 6.636 -4.943 10.119 1.00 0.68 H new ATOM 1060 N ARG A 68 3.790 -5.692 10.500 1.00 0.62 N ATOM 1061 CA ARG A 68 2.627 -6.421 10.012 1.00 0.71 C ATOM 1062 C ARG A 68 1.330 -5.937 10.707 1.00 0.76 C ATOM 1063 O ARG A 68 0.233 -6.176 10.197 1.00 0.91 O ATOM 1064 CB ARG A 68 2.820 -7.930 10.240 1.00 0.83 C ATOM 1065 CG ARG A 68 2.991 -8.657 8.904 1.00 1.17 C ATOM 1066 CD ARG A 68 3.635 -10.024 9.139 1.00 2.05 C ATOM 1067 NE ARG A 68 3.734 -10.793 7.890 1.00 2.35 N ATOM 1068 CZ ARG A 68 4.522 -11.859 7.699 1.00 3.11 C ATOM 1069 NH1 ARG A 68 5.268 -12.323 8.702 1.00 3.84 N ATOM 1070 NH2 ARG A 68 4.562 -12.459 6.508 1.00 3.76 N ATOM 0 H ARG A 68 4.482 -6.280 10.965 1.00 0.62 H new ATOM 0 HA ARG A 68 2.528 -6.228 8.944 1.00 0.71 H new ATOM 0 HB2 ARG A 68 3.695 -8.100 10.868 1.00 0.83 H new ATOM 0 HB3 ARG A 68 1.961 -8.336 10.774 1.00 0.83 H new ATOM 0 HG2 ARG A 68 2.022 -8.779 8.419 1.00 1.17 H new ATOM 0 HG3 ARG A 68 3.611 -8.063 8.233 1.00 1.17 H new ATOM 0 HD2 ARG A 68 4.629 -9.891 9.566 1.00 2.05 H new ATOM 0 HD3 ARG A 68 3.048 -10.584 9.867 1.00 2.05 H new ATOM 0 HE ARG A 68 3.156 -10.490 7.106 1.00 2.35 H new ATOM 0 HH11 ARG A 68 5.238 -11.866 9.614 1.00 3.84 H new ATOM 0 HH12 ARG A 68 5.869 -13.135 8.558 1.00 3.84 H new ATOM 0 HH21 ARG A 68 3.991 -12.106 5.740 1.00 3.76 H new ATOM 0 HH22 ARG A 68 5.163 -13.271 6.366 1.00 3.76 H new ATOM 1084 N GLU A 69 1.415 -5.292 11.882 1.00 0.69 N ATOM 1085 CA GLU A 69 0.234 -4.782 12.590 1.00 0.73 C ATOM 1086 C GLU A 69 -0.175 -3.423 12.063 1.00 0.65 C ATOM 1087 O GLU A 69 -1.335 -3.240 11.701 1.00 0.65 O ATOM 1088 CB GLU A 69 0.472 -4.650 14.100 1.00 0.90 C ATOM 1089 CG GLU A 69 0.282 -5.989 14.807 1.00 1.12 C ATOM 1090 CD GLU A 69 -0.206 -5.792 16.243 1.00 1.55 C ATOM 1091 OE1 GLU A 69 0.448 -5.027 16.981 1.00 2.72 O ATOM 1092 OE2 GLU A 69 -1.245 -6.406 16.574 1.00 2.16 O ATOM 0 H GLU A 69 2.296 -5.112 12.363 1.00 0.69 H new ATOM 0 HA GLU A 69 -0.556 -5.512 12.414 1.00 0.73 H new ATOM 0 HB2 GLU A 69 1.481 -4.280 14.281 1.00 0.90 H new ATOM 0 HB3 GLU A 69 -0.216 -3.915 14.517 1.00 0.90 H new ATOM 0 HG2 GLU A 69 -0.437 -6.595 14.256 1.00 1.12 H new ATOM 0 HG3 GLU A 69 1.224 -6.537 14.812 1.00 1.12 H new ATOM 1099 N LEU A 70 0.765 -2.481 11.952 1.00 0.67 N ATOM 1100 CA LEU A 70 0.503 -1.228 11.280 1.00 0.73 C ATOM 1101 C LEU A 70 0.021 -1.499 9.859 1.00 0.82 C ATOM 1102 O LEU A 70 -0.654 -0.650 9.283 1.00 1.03 O ATOM 1103 CB LEU A 70 1.792 -0.418 11.234 1.00 0.88 C ATOM 1104 CG LEU A 70 2.171 0.297 12.527 1.00 0.84 C ATOM 1105 CD1 LEU A 70 3.683 0.543 12.577 1.00 2.19 C ATOM 1106 CD2 LEU A 70 1.435 1.627 12.609 1.00 1.07 C ATOM 0 H LEU A 70 1.711 -2.572 12.322 1.00 0.67 H new ATOM 0 HA LEU A 70 -0.266 -0.674 11.818 1.00 0.73 H new ATOM 0 HB2 LEU A 70 2.609 -1.085 10.956 1.00 0.88 H new ATOM 0 HB3 LEU A 70 1.704 0.325 10.442 1.00 0.88 H new ATOM 0 HG LEU A 70 1.888 -0.331 13.372 1.00 0.84 H new ATOM 0 HD11 LEU A 70 3.938 1.054 13.505 1.00 2.19 H new ATOM 0 HD12 LEU A 70 4.209 -0.411 12.532 1.00 2.19 H new ATOM 0 HD13 LEU A 70 3.979 1.161 11.730 1.00 2.19 H new ATOM 0 HD21 LEU A 70 1.707 2.137 13.533 1.00 1.07 H new ATOM 0 HD22 LEU A 70 1.711 2.249 11.757 1.00 1.07 H new ATOM 0 HD23 LEU A 70 0.360 1.449 12.595 1.00 1.07 H new ATOM 1118 N SER A 71 0.306 -2.679 9.288 1.00 0.86 N ATOM 1119 CA SER A 71 -0.303 -3.022 8.020 1.00 0.98 C ATOM 1120 C SER A 71 -1.825 -2.857 8.087 1.00 0.77 C ATOM 1121 O SER A 71 -2.453 -2.148 7.304 1.00 0.85 O ATOM 1122 CB SER A 71 0.142 -4.367 7.443 1.00 1.08 C ATOM 1123 OG SER A 71 1.419 -4.717 7.898 1.00 1.86 O ATOM 0 H SER A 71 0.934 -3.382 9.677 1.00 0.86 H new ATOM 0 HA SER A 71 0.075 -2.304 7.292 1.00 0.98 H new ATOM 0 HB2 SER A 71 -0.572 -5.141 7.725 1.00 1.08 H new ATOM 0 HB3 SER A 71 0.143 -4.316 6.354 1.00 1.08 H new ATOM 0 HG SER A 71 2.013 -4.854 7.131 1.00 1.86 H new ATOM 1129 N LYS A 72 -2.421 -3.451 9.112 1.00 0.67 N ATOM 1130 CA LYS A 72 -3.844 -3.432 9.370 1.00 0.63 C ATOM 1131 C LYS A 72 -4.326 -2.077 9.923 1.00 0.85 C ATOM 1132 O LYS A 72 -5.447 -2.006 10.418 1.00 1.52 O ATOM 1133 CB LYS A 72 -4.112 -4.555 10.386 1.00 0.87 C ATOM 1134 CG LYS A 72 -5.191 -5.510 9.874 1.00 1.39 C ATOM 1135 CD LYS A 72 -4.612 -6.569 8.922 1.00 3.12 C ATOM 1136 CE LYS A 72 -4.799 -7.959 9.543 1.00 3.50 C ATOM 1137 NZ LYS A 72 -3.846 -8.213 10.647 1.00 4.44 N ATOM 0 H LYS A 72 -1.900 -3.979 9.812 1.00 0.67 H new ATOM 0 HA LYS A 72 -4.393 -3.582 8.440 1.00 0.63 H new ATOM 0 HB2 LYS A 72 -3.191 -5.108 10.574 1.00 0.87 H new ATOM 0 HB3 LYS A 72 -4.425 -4.123 11.337 1.00 0.87 H new ATOM 0 HG2 LYS A 72 -5.670 -6.004 10.719 1.00 1.39 H new ATOM 0 HG3 LYS A 72 -5.964 -4.941 9.358 1.00 1.39 H new ATOM 0 HD2 LYS A 72 -5.112 -6.519 7.955 1.00 3.12 H new ATOM 0 HD3 LYS A 72 -3.554 -6.376 8.744 1.00 3.12 H new ATOM 0 HE2 LYS A 72 -5.819 -8.053 9.917 1.00 3.50 H new ATOM 0 HE3 LYS A 72 -4.670 -8.719 8.773 1.00 3.50 H new ATOM 0 HZ1 LYS A 72 -4.010 -9.164 11.035 1.00 4.44 H new ATOM 0 HZ2 LYS A 72 -2.872 -8.149 10.287 1.00 4.44 H new ATOM 0 HZ3 LYS A 72 -3.985 -7.505 11.396 1.00 4.44 H new ATOM 1151 N THR A 73 -3.535 -1.007 9.831 1.00 0.79 N ATOM 1152 CA THR A 73 -3.957 0.346 10.179 1.00 0.92 C ATOM 1153 C THR A 73 -3.889 1.275 8.962 1.00 0.82 C ATOM 1154 O THR A 73 -4.249 2.445 9.058 1.00 1.00 O ATOM 1155 CB THR A 73 -3.147 0.833 11.394 1.00 1.22 C ATOM 1156 OG1 THR A 73 -4.019 1.454 12.311 1.00 1.63 O ATOM 1157 CG2 THR A 73 -2.021 1.822 11.083 1.00 1.52 C ATOM 0 H THR A 73 -2.569 -1.059 9.508 1.00 0.79 H new ATOM 0 HA THR A 73 -5.006 0.352 10.476 1.00 0.92 H new ATOM 0 HB THR A 73 -2.671 -0.063 11.792 1.00 1.22 H new ATOM 0 HG1 THR A 73 -3.509 1.765 13.088 1.00 1.63 H new ATOM 0 HG21 THR A 73 -1.515 2.100 12.008 1.00 1.52 H new ATOM 0 HG22 THR A 73 -1.306 1.358 10.404 1.00 1.52 H new ATOM 0 HG23 THR A 73 -2.439 2.714 10.616 1.00 1.52 H new ATOM 1165 N PHE A 74 -3.472 0.750 7.807 1.00 0.60 N ATOM 1166 CA PHE A 74 -3.298 1.487 6.566 1.00 0.55 C ATOM 1167 C PHE A 74 -4.054 0.801 5.451 1.00 0.59 C ATOM 1168 O PHE A 74 -3.750 1.030 4.295 1.00 1.04 O ATOM 1169 CB PHE A 74 -1.814 1.566 6.232 1.00 0.73 C ATOM 1170 CG PHE A 74 -0.955 2.266 7.236 1.00 0.74 C ATOM 1171 CD1 PHE A 74 -1.397 3.441 7.868 1.00 1.93 C ATOM 1172 CD2 PHE A 74 0.323 1.755 7.491 1.00 1.64 C ATOM 1173 CE1 PHE A 74 -0.582 4.059 8.824 1.00 2.05 C ATOM 1174 CE2 PHE A 74 1.141 2.385 8.429 1.00 1.62 C ATOM 1175 CZ PHE A 74 0.667 3.501 9.125 1.00 0.99 C ATOM 0 H PHE A 74 -3.239 -0.239 7.714 1.00 0.60 H new ATOM 0 HA PHE A 74 -3.692 2.497 6.681 1.00 0.55 H new ATOM 0 HB2 PHE A 74 -1.436 0.552 6.103 1.00 0.73 H new ATOM 0 HB3 PHE A 74 -1.704 2.072 5.273 1.00 0.73 H new ATOM 0 HD1 PHE A 74 -2.359 3.864 7.618 1.00 1.93 H new ATOM 0 HD2 PHE A 74 0.673 0.879 6.965 1.00 1.64 H new ATOM 0 HE1 PHE A 74 -0.913 4.957 9.324 1.00 2.05 H new ATOM 0 HE2 PHE A 74 2.137 2.012 8.617 1.00 1.62 H new ATOM 0 HZ PHE A 74 1.272 3.939 9.905 1.00 0.99 H new ATOM 1185 N ILE A 75 -5.016 -0.058 5.756 1.00 0.62 N ATOM 1186 CA ILE A 75 -5.849 -0.636 4.730 1.00 0.61 C ATOM 1187 C ILE A 75 -7.039 0.282 4.556 1.00 0.61 C ATOM 1188 O ILE A 75 -7.544 0.857 5.518 1.00 0.90 O ATOM 1189 CB ILE A 75 -6.227 -2.075 5.096 1.00 0.63 C ATOM 1190 CG1 ILE A 75 -7.105 -2.237 6.338 1.00 3.13 C ATOM 1191 CG2 ILE A 75 -4.968 -2.941 5.079 1.00 2.74 C ATOM 1192 CD1 ILE A 75 -6.352 -2.047 7.644 1.00 4.46 C ATOM 0 H ILE A 75 -5.233 -0.365 6.704 1.00 0.62 H new ATOM 0 HA ILE A 75 -5.328 -0.714 3.776 1.00 0.61 H new ATOM 0 HB ILE A 75 -6.907 -2.440 4.326 1.00 0.63 H new ATOM 0 HG12 ILE A 75 -7.922 -1.517 6.291 1.00 3.13 H new ATOM 0 HG13 ILE A 75 -7.554 -3.230 6.328 1.00 3.13 H new ATOM 0 HG21 ILE A 75 -5.229 -3.967 5.339 1.00 2.74 H new ATOM 0 HG22 ILE A 75 -4.525 -2.920 4.083 1.00 2.74 H new ATOM 0 HG23 ILE A 75 -4.251 -2.555 5.803 1.00 2.74 H new ATOM 0 HD11 ILE A 75 -7.038 -2.176 8.481 1.00 4.46 H new ATOM 0 HD12 ILE A 75 -5.552 -2.784 7.713 1.00 4.46 H new ATOM 0 HD13 ILE A 75 -5.926 -1.044 7.676 1.00 4.46 H new ATOM 1204 N ILE A 76 -7.494 0.389 3.318 1.00 0.42 N ATOM 1205 CA ILE A 76 -8.694 1.127 2.979 1.00 0.43 C ATOM 1206 C ILE A 76 -9.683 0.205 2.280 1.00 0.54 C ATOM 1207 O ILE A 76 -10.767 0.643 1.904 1.00 0.66 O ATOM 1208 CB ILE A 76 -8.336 2.387 2.172 1.00 0.43 C ATOM 1209 CG1 ILE A 76 -7.424 2.117 0.961 1.00 0.40 C ATOM 1210 CG2 ILE A 76 -7.638 3.406 3.064 1.00 0.54 C ATOM 1211 CD1 ILE A 76 -8.263 1.672 -0.220 1.00 0.83 C ATOM 0 H ILE A 76 -7.034 -0.039 2.514 1.00 0.42 H new ATOM 0 HA ILE A 76 -9.189 1.484 3.882 1.00 0.43 H new ATOM 0 HB ILE A 76 -9.287 2.765 1.796 1.00 0.43 H new ATOM 0 HG12 ILE A 76 -6.867 3.018 0.705 1.00 0.40 H new ATOM 0 HG13 ILE A 76 -6.691 1.349 1.209 1.00 0.40 H new ATOM 0 HG21 ILE A 76 -7.391 4.292 2.480 1.00 0.54 H new ATOM 0 HG22 ILE A 76 -8.299 3.685 3.884 1.00 0.54 H new ATOM 0 HG23 ILE A 76 -6.724 2.971 3.467 1.00 0.54 H new ATOM 0 HD11 ILE A 76 -7.615 1.482 -1.076 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -8.800 0.759 0.039 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -8.978 2.454 -0.474 1.00 0.83 H new ATOM 1223 N GLY A 77 -9.347 -1.078 2.120 1.00 0.65 N ATOM 1224 CA GLY A 77 -10.245 -1.994 1.444 1.00 0.84 C ATOM 1225 C GLY A 77 -9.462 -3.102 0.785 1.00 0.63 C ATOM 1226 O GLY A 77 -8.336 -3.378 1.192 1.00 0.52 O ATOM 0 H GLY A 77 -8.474 -1.493 2.446 1.00 0.65 H new ATOM 0 HA2 GLY A 77 -10.953 -2.414 2.159 1.00 0.84 H new ATOM 0 HA3 GLY A 77 -10.828 -1.457 0.696 1.00 0.84 H new ATOM 1230 N GLU A 78 -10.052 -3.749 -0.220 1.00 0.67 N ATOM 1231 CA GLU A 78 -9.388 -4.816 -0.934 1.00 0.64 C ATOM 1232 C GLU A 78 -9.735 -4.672 -2.400 1.00 0.78 C ATOM 1233 O GLU A 78 -10.905 -4.549 -2.744 1.00 1.21 O ATOM 1234 CB GLU A 78 -9.770 -6.202 -0.374 1.00 0.60 C ATOM 1235 CG GLU A 78 -10.185 -6.195 1.104 1.00 2.14 C ATOM 1236 CD GLU A 78 -10.283 -7.610 1.685 1.00 2.28 C ATOM 1237 OE1 GLU A 78 -10.923 -8.460 1.031 1.00 2.36 O ATOM 1238 OE2 GLU A 78 -9.710 -7.828 2.780 1.00 3.31 O ATOM 0 H GLU A 78 -10.994 -3.544 -0.552 1.00 0.67 H new ATOM 0 HA GLU A 78 -8.308 -4.741 -0.805 1.00 0.64 H new ATOM 0 HB2 GLU A 78 -10.590 -6.607 -0.967 1.00 0.60 H new ATOM 0 HB3 GLU A 78 -8.923 -6.877 -0.498 1.00 0.60 H new ATOM 0 HG2 GLU A 78 -9.462 -5.617 1.680 1.00 2.14 H new ATOM 0 HG3 GLU A 78 -11.148 -5.694 1.207 1.00 2.14 H new ATOM 1245 N LEU A 79 -8.731 -4.608 -3.272 1.00 1.05 N ATOM 1246 CA LEU A 79 -9.008 -4.473 -4.689 1.00 1.28 C ATOM 1247 C LEU A 79 -9.742 -5.702 -5.207 1.00 0.67 C ATOM 1248 O LEU A 79 -9.810 -6.725 -4.530 1.00 0.77 O ATOM 1249 CB LEU A 79 -7.732 -4.198 -5.478 1.00 2.14 C ATOM 1250 CG LEU A 79 -6.862 -5.409 -5.815 1.00 0.93 C ATOM 1251 CD1 LEU A 79 -5.594 -4.900 -6.487 1.00 1.43 C ATOM 1252 CD2 LEU A 79 -6.427 -6.167 -4.566 1.00 2.05 C ATOM 0 H LEU A 79 -7.742 -4.647 -3.025 1.00 1.05 H new ATOM 0 HA LEU A 79 -9.660 -3.612 -4.832 1.00 1.28 H new ATOM 0 HB2 LEU A 79 -8.007 -3.706 -6.411 1.00 2.14 H new ATOM 0 HB3 LEU A 79 -7.127 -3.491 -4.911 1.00 2.14 H new ATOM 0 HG LEU A 79 -7.444 -6.077 -6.450 1.00 0.93 H new ATOM 0 HD11 LEU A 79 -4.952 -5.744 -6.740 1.00 1.43 H new ATOM 0 HD12 LEU A 79 -5.856 -4.359 -7.396 1.00 1.43 H new ATOM 0 HD13 LEU A 79 -5.065 -4.232 -5.807 1.00 1.43 H new ATOM 0 HD21 LEU A 79 -5.811 -7.019 -4.854 1.00 2.05 H new ATOM 0 HD22 LEU A 79 -5.851 -5.504 -3.920 1.00 2.05 H new ATOM 0 HD23 LEU A 79 -7.308 -6.520 -4.030 1.00 2.05 H new ATOM 1264 N HIS A 80 -10.255 -5.617 -6.432 1.00 0.43 N ATOM 1265 CA HIS A 80 -10.971 -6.711 -7.056 1.00 0.84 C ATOM 1266 C HIS A 80 -10.124 -7.979 -7.004 1.00 1.44 C ATOM 1267 O HIS A 80 -9.054 -8.017 -7.615 1.00 1.54 O ATOM 1268 CB HIS A 80 -11.322 -6.373 -8.500 1.00 1.10 C ATOM 1269 CG HIS A 80 -12.541 -5.488 -8.629 1.00 1.20 C ATOM 1270 ND1 HIS A 80 -13.406 -5.471 -9.700 1.00 1.74 N ATOM 1271 CD2 HIS A 80 -13.042 -4.635 -7.681 1.00 1.17 C ATOM 1272 CE1 HIS A 80 -14.411 -4.630 -9.396 1.00 1.75 C ATOM 1273 NE2 HIS A 80 -14.246 -4.119 -8.167 1.00 1.37 N ATOM 0 H HIS A 80 -10.182 -4.783 -7.015 1.00 0.43 H new ATOM 0 HA HIS A 80 -11.899 -6.876 -6.509 1.00 0.84 H new ATOM 0 HB2 HIS A 80 -10.471 -5.877 -8.967 1.00 1.10 H new ATOM 0 HB3 HIS A 80 -11.493 -7.298 -9.051 1.00 1.10 H new ATOM 0 HD2 HIS A 80 -12.588 -4.403 -6.729 1.00 1.17 H new ATOM 0 HE1 HIS A 80 -15.237 -4.398 -10.052 1.00 1.75 H new ATOM 0 HE2 HIS A 80 -14.876 -3.479 -7.682 1.00 1.37 H new ATOM 1281 N PRO A 81 -10.574 -8.997 -6.257 1.00 2.25 N ATOM 1282 CA PRO A 81 -9.800 -10.192 -6.029 1.00 3.06 C ATOM 1283 C PRO A 81 -9.828 -11.088 -7.262 1.00 3.03 C ATOM 1284 O PRO A 81 -10.556 -12.072 -7.317 1.00 2.92 O ATOM 1285 CB PRO A 81 -10.398 -10.850 -4.780 1.00 4.04 C ATOM 1286 CG PRO A 81 -11.829 -10.317 -4.709 1.00 3.87 C ATOM 1287 CD PRO A 81 -11.794 -8.996 -5.473 1.00 2.74 C ATOM 0 HA PRO A 81 -8.744 -9.982 -5.859 1.00 3.06 H new ATOM 0 HB2 PRO A 81 -10.384 -11.937 -4.860 1.00 4.04 H new ATOM 0 HB3 PRO A 81 -9.833 -10.588 -3.885 1.00 4.04 H new ATOM 0 HG2 PRO A 81 -12.534 -11.016 -5.160 1.00 3.87 H new ATOM 0 HG3 PRO A 81 -12.144 -10.168 -3.676 1.00 3.87 H new ATOM 0 HD2 PRO A 81 -12.668 -8.899 -6.118 1.00 2.74 H new ATOM 0 HD3 PRO A 81 -11.810 -8.151 -4.785 1.00 2.74 H new ATOM 1295 N ASP A 82 -9.024 -10.721 -8.256 1.00 3.60 N ATOM 1296 CA ASP A 82 -8.894 -11.424 -9.521 1.00 3.67 C ATOM 1297 C ASP A 82 -7.612 -10.903 -10.169 1.00 3.24 C ATOM 1298 O ASP A 82 -6.658 -11.641 -10.413 1.00 3.76 O ATOM 1299 CB ASP A 82 -10.138 -11.163 -10.395 1.00 3.69 C ATOM 1300 CG ASP A 82 -10.752 -12.476 -10.877 1.00 4.74 C ATOM 1301 OD1 ASP A 82 -10.010 -13.247 -11.527 1.00 5.87 O ATOM 1302 OD2 ASP A 82 -11.950 -12.697 -10.589 1.00 4.92 O ATOM 0 H ASP A 82 -8.426 -9.897 -8.197 1.00 3.60 H new ATOM 0 HA ASP A 82 -8.832 -12.504 -9.390 1.00 3.67 H new ATOM 0 HB2 ASP A 82 -10.876 -10.600 -9.824 1.00 3.69 H new ATOM 0 HB3 ASP A 82 -9.862 -10.550 -11.253 1.00 3.69 H new ATOM 1307 N ASP A 83 -7.508 -9.577 -10.288 1.00 2.56 N ATOM 1308 CA ASP A 83 -6.405 -8.914 -10.981 1.00 2.49 C ATOM 1309 C ASP A 83 -5.240 -8.640 -10.027 1.00 3.16 C ATOM 1310 O ASP A 83 -4.446 -7.727 -10.238 1.00 3.68 O ATOM 1311 CB ASP A 83 -6.915 -7.629 -11.643 1.00 2.51 C ATOM 1312 CG ASP A 83 -7.571 -7.903 -12.995 1.00 3.70 C ATOM 1313 OD1 ASP A 83 -8.536 -8.697 -13.016 1.00 4.31 O ATOM 1314 OD2 ASP A 83 -7.104 -7.301 -13.987 1.00 4.79 O ATOM 0 H ASP A 83 -8.195 -8.929 -9.902 1.00 2.56 H new ATOM 0 HA ASP A 83 -6.023 -9.574 -11.760 1.00 2.49 H new ATOM 0 HB2 ASP A 83 -7.633 -7.142 -10.984 1.00 2.51 H new ATOM 0 HB3 ASP A 83 -6.084 -6.936 -11.777 1.00 2.51 H new ATOM 1319 N ARG A 84 -5.126 -9.408 -8.943 1.00 3.66 N ATOM 1320 CA ARG A 84 -4.058 -9.215 -7.968 1.00 4.64 C ATOM 1321 C ARG A 84 -2.906 -10.191 -8.179 1.00 5.53 C ATOM 1322 O ARG A 84 -1.783 -9.922 -7.766 1.00 6.40 O ATOM 1323 CB ARG A 84 -4.641 -9.379 -6.570 1.00 4.89 C ATOM 1324 CG ARG A 84 -3.579 -9.105 -5.491 1.00 5.97 C ATOM 1325 CD ARG A 84 -3.317 -10.333 -4.610 1.00 6.54 C ATOM 1326 NE ARG A 84 -1.970 -10.886 -4.773 1.00 7.73 N ATOM 1327 CZ ARG A 84 -1.432 -11.764 -3.914 1.00 8.55 C ATOM 1328 NH1 ARG A 84 -2.172 -12.254 -2.914 1.00 8.48 N ATOM 1329 NH2 ARG A 84 -0.167 -12.153 -4.053 1.00 9.76 N ATOM 0 H ARG A 84 -5.764 -10.172 -8.720 1.00 3.66 H new ATOM 0 HA ARG A 84 -3.649 -8.213 -8.094 1.00 4.64 H new ATOM 0 HB2 ARG A 84 -5.480 -8.696 -6.440 1.00 4.89 H new ATOM 0 HB3 ARG A 84 -5.032 -10.390 -6.452 1.00 4.89 H new ATOM 0 HG2 ARG A 84 -2.649 -8.798 -5.969 1.00 5.97 H new ATOM 0 HG3 ARG A 84 -3.905 -8.274 -4.865 1.00 5.97 H new ATOM 0 HD2 ARG A 84 -3.467 -10.061 -3.565 1.00 6.54 H new ATOM 0 HD3 ARG A 84 -4.050 -11.104 -4.846 1.00 6.54 H new ATOM 0 HE ARG A 84 -1.416 -10.590 -5.577 1.00 7.73 H new ATOM 0 HH11 ARG A 84 -3.143 -11.960 -2.806 1.00 8.48 H new ATOM 0 HH12 ARG A 84 -1.766 -12.922 -2.259 1.00 8.48 H new ATOM 0 HH21 ARG A 84 0.399 -11.783 -4.816 1.00 9.76 H new ATOM 0 HH22 ARG A 84 0.236 -12.821 -3.396 1.00 9.76 H new ATOM 1343 N SER A 85 -3.157 -11.357 -8.769 1.00 5.54 N ATOM 1344 CA SER A 85 -2.083 -12.320 -8.962 1.00 6.60 C ATOM 1345 C SER A 85 -2.376 -13.203 -10.168 1.00 6.59 C ATOM 1346 O SER A 85 -2.116 -14.406 -10.129 1.00 7.19 O ATOM 1347 CB SER A 85 -1.873 -13.129 -7.675 1.00 7.37 C ATOM 1348 OG SER A 85 -0.675 -13.872 -7.747 1.00 8.36 O ATOM 0 H SER A 85 -4.071 -11.651 -9.113 1.00 5.54 H new ATOM 0 HA SER A 85 -1.150 -11.797 -9.173 1.00 6.60 H new ATOM 0 HB2 SER A 85 -1.840 -12.457 -6.818 1.00 7.37 H new ATOM 0 HB3 SER A 85 -2.716 -13.802 -7.520 1.00 7.37 H new ATOM 0 HG SER A 85 -0.652 -14.374 -8.588 1.00 8.36 H new ATOM 1354 N LYS A 86 -2.947 -12.627 -11.229 1.00 6.20 N ATOM 1355 CA LYS A 86 -3.327 -13.400 -12.403 1.00 6.63 C ATOM 1356 C LYS A 86 -3.293 -12.535 -13.665 1.00 6.92 C ATOM 1357 O LYS A 86 -4.217 -12.568 -14.470 1.00 7.00 O ATOM 1358 CB LYS A 86 -4.716 -14.010 -12.164 1.00 6.47 C ATOM 1359 CG LYS A 86 -4.905 -15.295 -12.983 1.00 7.12 C ATOM 1360 CD LYS A 86 -4.362 -16.530 -12.249 1.00 8.93 C ATOM 1361 CE LYS A 86 -5.167 -17.754 -12.694 1.00 9.35 C ATOM 1362 NZ LYS A 86 -4.847 -18.954 -11.891 1.00 11.00 N ATOM 0 H LYS A 86 -3.154 -11.630 -11.295 1.00 6.20 H new ATOM 0 HA LYS A 86 -2.611 -14.206 -12.561 1.00 6.63 H new ATOM 0 HB2 LYS A 86 -4.843 -14.229 -11.104 1.00 6.47 H new ATOM 0 HB3 LYS A 86 -5.485 -13.287 -12.434 1.00 6.47 H new ATOM 0 HG2 LYS A 86 -5.965 -15.437 -13.196 1.00 7.12 H new ATOM 0 HG3 LYS A 86 -4.398 -15.191 -13.942 1.00 7.12 H new ATOM 0 HD2 LYS A 86 -3.305 -16.670 -12.474 1.00 8.93 H new ATOM 0 HD3 LYS A 86 -4.443 -16.395 -11.170 1.00 8.93 H new ATOM 0 HE2 LYS A 86 -6.232 -17.536 -12.611 1.00 9.35 H new ATOM 0 HE3 LYS A 86 -4.964 -17.958 -13.745 1.00 9.35 H new ATOM 0 HZ1 LYS A 86 -5.415 -19.758 -12.227 1.00 11.00 H new ATOM 0 HZ2 LYS A 86 -3.836 -19.179 -11.990 1.00 11.00 H new ATOM 0 HZ3 LYS A 86 -5.065 -18.770 -10.891 1.00 11.00 H new ATOM 1376 N LEU A 87 -2.245 -11.722 -13.820 1.00 7.48 N ATOM 1377 CA LEU A 87 -2.171 -10.762 -14.920 1.00 8.11 C ATOM 1378 C LEU A 87 -1.224 -11.261 -16.005 1.00 9.32 C ATOM 1379 O LEU A 87 -1.535 -11.169 -17.191 1.00 9.68 O ATOM 1380 CB LEU A 87 -1.690 -9.399 -14.410 1.00 8.07 C ATOM 1381 CG LEU A 87 -2.567 -8.842 -13.275 1.00 7.14 C ATOM 1382 CD1 LEU A 87 -1.675 -8.525 -12.072 1.00 6.93 C ATOM 1383 CD2 LEU A 87 -3.316 -7.590 -13.727 1.00 7.29 C ATOM 0 H LEU A 87 -1.437 -11.711 -13.197 1.00 7.48 H new ATOM 0 HA LEU A 87 -3.170 -10.655 -15.342 1.00 8.11 H new ATOM 0 HB2 LEU A 87 -0.663 -9.490 -14.057 1.00 8.07 H new ATOM 0 HB3 LEU A 87 -1.681 -8.689 -15.237 1.00 8.07 H new ATOM 0 HG LEU A 87 -3.311 -9.589 -12.997 1.00 7.14 H new ATOM 0 HD11 LEU A 87 -2.286 -8.129 -11.261 1.00 6.93 H new ATOM 0 HD12 LEU A 87 -1.175 -9.435 -11.740 1.00 6.93 H new ATOM 0 HD13 LEU A 87 -0.928 -7.785 -12.358 1.00 6.93 H new ATOM 0 HD21 LEU A 87 -3.928 -7.216 -12.906 1.00 7.29 H new ATOM 0 HD22 LEU A 87 -2.599 -6.824 -14.023 1.00 7.29 H new ATOM 0 HD23 LEU A 87 -3.956 -7.835 -14.575 1.00 7.29 H new ATOM 1395 N SER A 88 -0.060 -11.773 -15.590 1.00 10.32 N ATOM 1396 CA SER A 88 0.964 -12.274 -16.491 1.00 11.59 C ATOM 1397 C SER A 88 0.344 -13.287 -17.451 1.00 11.88 C ATOM 1398 O SER A 88 -0.271 -14.257 -17.009 1.00 11.55 O ATOM 1399 CB SER A 88 2.106 -12.897 -15.682 1.00 12.33 C ATOM 1400 OG SER A 88 3.332 -12.623 -16.322 1.00 13.55 O ATOM 0 H SER A 88 0.193 -11.849 -14.605 1.00 10.32 H new ATOM 0 HA SER A 88 1.377 -11.454 -17.078 1.00 11.59 H new ATOM 0 HB2 SER A 88 2.113 -12.493 -14.670 1.00 12.33 H new ATOM 0 HB3 SER A 88 1.960 -13.974 -15.595 1.00 12.33 H new ATOM 0 HG SER A 88 4.066 -13.019 -15.807 1.00 13.55 H new ATOM 1406 N LYS A 89 0.482 -13.056 -18.756 1.00 12.70 N ATOM 1407 CA LYS A 89 -0.103 -13.915 -19.771 1.00 13.21 C ATOM 1408 C LYS A 89 0.896 -14.109 -20.902 1.00 14.60 C ATOM 1409 O LYS A 89 1.846 -13.336 -21.015 1.00 15.40 O ATOM 1410 CB LYS A 89 -1.425 -13.304 -20.272 1.00 12.89 C ATOM 1411 CG LYS A 89 -2.620 -13.833 -19.460 1.00 12.57 C ATOM 1412 CD LYS A 89 -3.845 -14.185 -20.322 1.00 12.82 C ATOM 1413 CE LYS A 89 -5.081 -13.415 -19.851 1.00 12.77 C ATOM 1414 NZ LYS A 89 -5.074 -12.021 -20.342 1.00 13.48 N ATOM 0 H LYS A 89 1.004 -12.266 -19.134 1.00 12.70 H new ATOM 0 HA LYS A 89 -0.332 -14.894 -19.350 1.00 13.21 H new ATOM 0 HB2 LYS A 89 -1.380 -12.218 -20.194 1.00 12.89 H new ATOM 0 HB3 LYS A 89 -1.563 -13.542 -21.327 1.00 12.89 H new ATOM 0 HG2 LYS A 89 -2.309 -14.719 -18.907 1.00 12.57 H new ATOM 0 HG3 LYS A 89 -2.908 -13.083 -18.723 1.00 12.57 H new ATOM 0 HD2 LYS A 89 -3.640 -13.949 -21.366 1.00 12.82 H new ATOM 0 HD3 LYS A 89 -4.037 -15.257 -20.269 1.00 12.82 H new ATOM 0 HE2 LYS A 89 -5.981 -13.920 -20.202 1.00 12.77 H new ATOM 0 HE3 LYS A 89 -5.119 -13.417 -18.762 1.00 12.77 H new ATOM 0 HZ1 LYS A 89 -5.926 -11.530 -20.004 1.00 13.48 H new ATOM 0 HZ2 LYS A 89 -4.228 -11.532 -19.986 1.00 13.48 H new ATOM 0 HZ3 LYS A 89 -5.063 -12.019 -21.382 1.00 13.48 H new ATOM 1428 N PRO A 90 0.700 -15.154 -21.716 1.00 15.08 N ATOM 1429 CA PRO A 90 1.563 -15.430 -22.844 1.00 16.52 C ATOM 1430 C PRO A 90 1.329 -14.400 -23.950 1.00 17.15 C ATOM 1431 O PRO A 90 0.409 -13.588 -23.873 1.00 16.61 O ATOM 1432 CB PRO A 90 1.226 -16.860 -23.277 1.00 16.85 C ATOM 1433 CG PRO A 90 -0.180 -17.131 -22.736 1.00 15.67 C ATOM 1434 CD PRO A 90 -0.399 -16.101 -21.630 1.00 14.49 C ATOM 0 HA PRO A 90 2.622 -15.354 -22.597 1.00 16.52 H new ATOM 0 HB2 PRO A 90 1.255 -16.958 -24.362 1.00 16.85 H new ATOM 0 HB3 PRO A 90 1.946 -17.572 -22.873 1.00 16.85 H new ATOM 0 HG2 PRO A 90 -0.929 -17.028 -23.521 1.00 15.67 H new ATOM 0 HG3 PRO A 90 -0.262 -18.146 -22.348 1.00 15.67 H new ATOM 0 HD2 PRO A 90 -1.356 -15.595 -21.757 1.00 14.49 H new ATOM 0 HD3 PRO A 90 -0.419 -16.582 -20.652 1.00 14.49 H new ATOM 1442 N MET A 91 2.170 -14.452 -24.983 1.00 18.50 N ATOM 1443 CA MET A 91 2.075 -13.595 -26.156 1.00 19.38 C ATOM 1444 C MET A 91 1.437 -14.368 -27.304 1.00 19.91 C ATOM 1445 O MET A 91 1.239 -15.580 -27.212 1.00 20.02 O ATOM 1446 CB MET A 91 3.483 -13.116 -26.545 1.00 20.77 C ATOM 1447 CG MET A 91 3.847 -11.807 -25.835 1.00 21.17 C ATOM 1448 SD MET A 91 4.310 -10.446 -26.941 1.00 22.47 S ATOM 1449 CE MET A 91 5.625 -11.246 -27.901 1.00 24.14 C ATOM 0 H MET A 91 2.951 -15.106 -25.025 1.00 18.50 H new ATOM 0 HA MET A 91 1.453 -12.728 -25.934 1.00 19.38 H new ATOM 0 HB2 MET A 91 4.213 -13.884 -26.291 1.00 20.77 H new ATOM 0 HB3 MET A 91 3.534 -12.972 -27.624 1.00 20.77 H new ATOM 0 HG2 MET A 91 2.998 -11.491 -25.228 1.00 21.17 H new ATOM 0 HG3 MET A 91 4.674 -11.999 -25.151 1.00 21.17 H new ATOM 0 HE1 MET A 91 6.323 -10.491 -28.262 1.00 24.14 H new ATOM 0 HE2 MET A 91 6.156 -11.957 -27.268 1.00 24.14 H new ATOM 0 HE3 MET A 91 5.188 -11.772 -28.750 1.00 24.14 H new ATOM 1459 N GLU A 92 1.160 -13.667 -28.402 1.00 20.45 N ATOM 1460 CA GLU A 92 0.596 -14.231 -29.613 1.00 21.17 C ATOM 1461 C GLU A 92 1.522 -13.946 -30.800 1.00 22.71 C ATOM 1462 O GLU A 92 2.607 -13.394 -30.627 1.00 23.24 O ATOM 1463 CB GLU A 92 -0.830 -13.697 -29.801 1.00 20.39 C ATOM 1464 CG GLU A 92 -0.880 -12.174 -29.998 1.00 20.63 C ATOM 1465 CD GLU A 92 -1.732 -11.495 -28.925 1.00 20.21 C ATOM 1466 OE1 GLU A 92 -2.974 -11.511 -29.081 1.00 19.81 O ATOM 1467 OE2 GLU A 92 -1.135 -11.019 -27.932 1.00 20.49 O ATOM 0 H GLU A 92 1.329 -12.663 -28.469 1.00 20.45 H new ATOM 0 HA GLU A 92 0.521 -15.316 -29.540 1.00 21.17 H new ATOM 0 HB2 GLU A 92 -1.284 -14.184 -30.664 1.00 20.39 H new ATOM 0 HB3 GLU A 92 -1.430 -13.965 -28.931 1.00 20.39 H new ATOM 0 HG2 GLU A 92 0.132 -11.770 -29.970 1.00 20.63 H new ATOM 0 HG3 GLU A 92 -1.287 -11.947 -30.984 1.00 20.63 H new ATOM 1474 N THR A 93 1.131 -14.391 -31.997 1.00 23.59 N ATOM 1475 CA THR A 93 1.936 -14.222 -33.203 1.00 25.14 C ATOM 1476 C THR A 93 1.853 -12.790 -33.739 1.00 25.54 C ATOM 1477 O THR A 93 2.887 -12.187 -34.023 1.00 26.19 O ATOM 1478 CB THR A 93 1.457 -15.227 -34.261 1.00 25.79 C ATOM 1479 OG1 THR A 93 1.750 -16.541 -33.833 1.00 26.29 O ATOM 1480 CG2 THR A 93 2.107 -15.028 -35.633 1.00 27.18 C ATOM 0 H THR A 93 0.248 -14.877 -32.154 1.00 23.59 H new ATOM 0 HA THR A 93 2.982 -14.410 -32.960 1.00 25.14 H new ATOM 0 HB THR A 93 0.385 -15.061 -34.370 1.00 25.79 H new ATOM 0 HG1 THR A 93 1.442 -17.181 -34.508 1.00 26.29 H new ATOM 0 HG21 THR A 93 1.722 -15.773 -36.330 1.00 27.18 H new ATOM 0 HG22 THR A 93 1.875 -14.030 -36.004 1.00 27.18 H new ATOM 0 HG23 THR A 93 3.188 -15.140 -35.543 1.00 27.18 H new ATOM 1488 N LEU A 94 0.636 -12.289 -33.969 1.00 25.37 N ATOM 1489 CA LEU A 94 0.418 -10.946 -34.503 1.00 25.88 C ATOM 1490 C LEU A 94 0.079 -10.004 -33.350 1.00 25.31 C ATOM 1491 O LEU A 94 0.335 -10.411 -32.199 1.00 25.23 O ATOM 1492 CB LEU A 94 -0.680 -10.982 -35.588 1.00 26.28 C ATOM 1493 CG LEU A 94 -0.295 -10.217 -36.864 1.00 27.59 C ATOM 1494 CD1 LEU A 94 -0.172 -8.710 -36.635 1.00 27.94 C ATOM 1495 CD2 LEU A 94 1.003 -10.769 -37.470 1.00 28.73 C ATOM 1496 OXT LEU A 94 -0.440 -8.907 -33.638 1.00 25.17 O ATOM 0 H LEU A 94 -0.225 -12.805 -33.789 1.00 25.37 H new ATOM 0 HA LEU A 94 1.321 -10.571 -34.984 1.00 25.88 H new ATOM 0 HB2 LEU A 94 -0.894 -12.019 -35.845 1.00 26.28 H new ATOM 0 HB3 LEU A 94 -1.598 -10.558 -35.181 1.00 26.28 H new ATOM 0 HG LEU A 94 -1.110 -10.372 -37.571 1.00 27.59 H new ATOM 0 HD11 LEU A 94 0.102 -8.221 -37.570 1.00 27.94 H new ATOM 0 HD12 LEU A 94 -1.126 -8.316 -36.285 1.00 27.94 H new ATOM 0 HD13 LEU A 94 0.596 -8.517 -35.886 1.00 27.94 H new ATOM 0 HD21 LEU A 94 1.251 -10.209 -38.372 1.00 28.73 H new ATOM 0 HD22 LEU A 94 1.813 -10.670 -36.747 1.00 28.73 H new ATOM 0 HD23 LEU A 94 0.868 -11.821 -37.722 1.00 28.73 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.130 -0.630 5.909 1.00 0.43 FE HETATM 1510 CHA HEM A 95 10.911 -0.704 7.887 1.00 0.55 C HETATM 1511 CHB HEM A 95 6.097 -0.509 8.721 1.00 0.40 C HETATM 1512 CHC HEM A 95 5.316 -0.748 3.875 1.00 0.44 C HETATM 1513 CHD HEM A 95 10.135 -0.551 3.033 1.00 0.56 C HETATM 1514 NA HEM A 95 8.438 -0.631 7.935 1.00 0.45 N HETATM 1515 C1A HEM A 95 9.662 -0.701 8.506 1.00 0.50 C HETATM 1516 C2A HEM A 95 9.474 -0.778 9.933 1.00 0.49 C HETATM 1517 C3A HEM A 95 8.125 -0.648 10.184 1.00 0.45 C HETATM 1518 C4A HEM A 95 7.472 -0.580 8.898 1.00 0.43 C HETATM 1519 CMA HEM A 95 7.440 -0.593 11.532 1.00 0.45 C HETATM 1520 CAA HEM A 95 10.592 -0.974 10.927 1.00 0.53 C HETATM 1521 CBA HEM A 95 11.203 -2.379 10.820 1.00 1.63 C HETATM 1522 CGA HEM A 95 12.728 -2.378 10.912 1.00 1.95 C HETATM 1523 O1A HEM A 95 13.263 -1.533 11.664 1.00 2.35 O HETATM 1524 O2A HEM A 95 13.334 -3.224 10.219 1.00 3.33 O HETATM 1525 NB HEM A 95 6.109 -0.609 6.230 1.00 0.38 N HETATM 1526 C1B HEM A 95 5.506 -0.555 7.462 1.00 0.37 C HETATM 1527 C2B HEM A 95 4.084 -0.580 7.252 1.00 0.38 C HETATM 1528 C3B HEM A 95 3.884 -0.650 5.898 1.00 0.40 C HETATM 1529 C4B HEM A 95 5.160 -0.664 5.245 1.00 0.39 C HETATM 1530 CMB HEM A 95 3.054 -0.567 8.332 1.00 0.40 C HETATM 1531 CAB HEM A 95 2.566 -0.903 5.201 1.00 0.47 C HETATM 1532 CBB HEM A 95 1.783 -1.926 5.590 1.00 0.80 C HETATM 1533 NC HEM A 95 7.784 -0.630 3.828 1.00 0.46 N HETATM 1534 C1C HEM A 95 6.548 -0.728 3.254 1.00 0.46 C HETATM 1535 C2C HEM A 95 6.721 -0.870 1.831 1.00 0.54 C HETATM 1536 C3C HEM A 95 8.063 -0.694 1.591 1.00 0.56 C HETATM 1537 C4C HEM A 95 8.752 -0.614 2.858 1.00 0.52 C HETATM 1538 CMC HEM A 95 5.642 -1.255 0.849 1.00 0.63 C HETATM 1539 CAC HEM A 95 8.734 -0.710 0.229 1.00 0.63 C HETATM 1540 CBC HEM A 95 8.119 -0.300 -0.905 1.00 0.80 C HETATM 1541 ND HEM A 95 10.161 -0.623 5.529 1.00 0.52 N HETATM 1542 C1D HEM A 95 10.744 -0.556 4.292 1.00 0.56 C HETATM 1543 C2D HEM A 95 12.162 -0.418 4.499 1.00 0.60 C HETATM 1544 C3D HEM A 95 12.387 -0.448 5.859 1.00 0.60 C HETATM 1545 C4D HEM A 95 11.105 -0.614 6.506 1.00 0.55 C HETATM 1546 CMD HEM A 95 13.186 -0.177 3.419 1.00 0.64 C HETATM 1547 CAD HEM A 95 13.716 -0.226 6.544 1.00 0.64 C HETATM 1548 CBD HEM A 95 14.746 -1.322 6.246 1.00 1.63 C HETATM 1549 CGD HEM A 95 15.626 -1.653 7.451 1.00 1.98 C HETATM 1550 O1D HEM A 95 15.913 -0.724 8.238 1.00 2.65 O HETATM 1551 O2D HEM A 95 16.018 -2.836 7.550 1.00 3.06 O HETATM 0 HMA1 HEM A 95 8.017 -1.167 12.257 1.00 0.45 H new HETATM 0 HMA2 HEM A 95 6.439 -1.016 11.449 1.00 0.45 H new HETATM 0 HMA3 HEM A 95 7.370 0.443 11.862 1.00 0.45 H new HETATM 0 HMB1 HEM A 95 2.152 -0.075 7.969 1.00 0.40 H new HETATM 0 HMB2 HEM A 95 3.440 -0.026 9.196 1.00 0.40 H new HETATM 0 HMB3 HEM A 95 2.817 -1.591 8.621 1.00 0.40 H new HETATM 0 HMC1 HEM A 95 4.913 -1.898 1.343 1.00 0.63 H new HETATM 0 HMC2 HEM A 95 6.088 -1.789 0.010 1.00 0.63 H new HETATM 0 HMC3 HEM A 95 5.144 -0.356 0.484 1.00 0.63 H new HETATM 0 HMD1 HEM A 95 14.021 0.391 3.829 1.00 0.64 H new HETATM 0 HMD2 HEM A 95 12.730 0.385 2.604 1.00 0.64 H new HETATM 0 HMD3 HEM A 95 13.549 -1.133 3.042 1.00 0.64 H new HETATM 0 HBB1 HEM A 95 0.833 -2.107 5.087 1.00 0.80 H new HETATM 0 HBB2 HEM A 95 2.099 -2.573 6.408 1.00 0.80 H new HETATM 0 HBC1 HEM A 95 8.651 -0.334 -1.856 1.00 0.80 H new HETATM 0 HBC2 HEM A 95 7.092 0.064 -0.867 1.00 0.80 H new HETATM 0 HBA1 HEM A 95 10.902 -2.828 9.874 1.00 1.63 H new HETATM 0 HBA2 HEM A 95 10.798 -3.006 11.614 1.00 1.63 H new HETATM 0 HAA1 HEM A 95 10.213 -0.817 11.937 1.00 0.53 H new HETATM 0 HAA2 HEM A 95 11.366 -0.226 10.757 1.00 0.53 H new HETATM 0 HBD1 HEM A 95 15.378 -1.004 5.417 1.00 1.63 H new HETATM 0 HBD2 HEM A 95 14.226 -2.224 5.923 1.00 1.63 H new HETATM 0 HAD1 HEM A 95 13.556 -0.171 7.621 1.00 0.64 H new HETATM 0 HAD2 HEM A 95 14.121 0.737 6.232 1.00 0.64 H new HETATM 0 HHA HEM A 95 11.786 -0.781 8.516 1.00 0.55 H new HETATM 0 HHB HEM A 95 5.464 -0.415 9.591 1.00 0.40 H new HETATM 0 HHC HEM A 95 4.432 -0.833 3.261 1.00 0.44 H new HETATM 0 HHD HEM A 95 10.764 -0.496 2.156 1.00 0.56 H new HETATM 0 HAB HEM A 95 2.250 -0.256 4.383 1.00 0.47 H new HETATM 0 HAC HEM A 95 9.761 -1.069 0.161 1.00 0.63 H new