USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=23 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= -1.87 X(o=-4.6,f=-4.9) USER MOD Set 1.2: A 57 ASN : amide:sc= -2.77! C(o=-4.6!,f=-8.3!) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -83:sc= 0.454 USER MOD Set 3.1: A 17 HIS : no HE2:sc= -1.14 K(o=-2.7,f=-4.9) USER MOD Set 3.2: A 20 SER OG : rot -30:sc= -1.55 USER MOD Single : A 1 ASP N :NH3+ -173:sc= 0 (180deg=-0.0367) 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=-0.00324 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -5.24 X(o=-5.2,f=-5.7!) USER MOD Single : A 16 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.27) 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 21 THR OG1 : rot 7:sc= -2.31! USER MOD Single : A 26 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-4.5!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.419 F(o=-1.6,f=-0.42) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -70:sc= -1.96 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 104:sc= 0.451 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 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= -2.11 X(o=-2.1,f=-1.9) USER MOD Single : A 85 SER OG : rot 180:sc= 0 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+ -128:sc= 0 (180deg=-0.363) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -0.935 (180deg=-0.935) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -4.09 (180deg=-4.09) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -5.37! (180deg=-6.74!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.625 (180deg=-0.625) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -21.826 -1.103 5.823 1.00 9.60 N ATOM 2 CA ASP A 1 -20.998 -0.413 6.808 1.00 8.70 C ATOM 3 C ASP A 1 -19.769 -1.314 6.902 1.00 7.53 C ATOM 4 O ASP A 1 -19.964 -2.475 7.246 1.00 7.67 O ATOM 5 CB ASP A 1 -21.900 -0.306 8.053 1.00 9.63 C ATOM 6 CG ASP A 1 -22.818 0.893 7.847 1.00 10.71 C ATOM 7 OD1 ASP A 1 -22.281 1.904 7.355 1.00 10.99 O ATOM 8 OD2 ASP A 1 -24.041 0.717 8.026 1.00 11.53 O ATOM 0 H1 ASP A 1 -22.649 -0.513 5.587 1.00 9.60 H new ATOM 0 H2 ASP A 1 -21.268 -1.279 4.963 1.00 9.60 H new ATOM 0 H3 ASP A 1 -22.151 -2.009 6.216 1.00 9.60 H new ATOM 0 HA ASP A 1 -20.644 0.599 6.610 1.00 8.70 H new ATOM 0 HB2 ASP A 1 -22.483 -1.218 8.185 1.00 9.63 H new ATOM 0 HB3 ASP A 1 -21.299 -0.179 8.953 1.00 9.63 H new ATOM 15 N LYS A 2 -18.587 -0.942 6.371 1.00 6.87 N ATOM 16 CA LYS A 2 -17.503 -1.922 6.183 1.00 6.23 C ATOM 17 C LYS A 2 -16.150 -1.231 6.025 1.00 5.85 C ATOM 18 O LYS A 2 -16.099 -0.014 5.889 1.00 6.69 O ATOM 19 CB LYS A 2 -17.783 -2.847 4.972 1.00 6.70 C ATOM 20 CG LYS A 2 -17.987 -4.297 5.441 1.00 7.09 C ATOM 21 CD LYS A 2 -18.366 -5.256 4.301 1.00 7.99 C ATOM 22 CE LYS A 2 -19.376 -6.295 4.810 1.00 8.79 C ATOM 23 NZ LYS A 2 -20.757 -5.764 4.808 1.00 9.56 N ATOM 0 H LYS A 2 -18.363 0.007 6.072 1.00 6.87 H new ATOM 0 HA LYS A 2 -17.467 -2.539 7.081 1.00 6.23 H new ATOM 0 HB2 LYS A 2 -18.670 -2.502 4.440 1.00 6.70 H new ATOM 0 HB3 LYS A 2 -16.951 -2.799 4.269 1.00 6.70 H new ATOM 0 HG2 LYS A 2 -17.071 -4.651 5.915 1.00 7.09 H new ATOM 0 HG3 LYS A 2 -18.768 -4.320 6.201 1.00 7.09 H new ATOM 0 HD2 LYS A 2 -18.794 -4.696 3.470 1.00 7.99 H new ATOM 0 HD3 LYS A 2 -17.475 -5.757 3.923 1.00 7.99 H new ATOM 0 HE2 LYS A 2 -19.328 -7.186 4.184 1.00 8.79 H new ATOM 0 HE3 LYS A 2 -19.105 -6.601 5.821 1.00 8.79 H new ATOM 0 HZ1 LYS A 2 -21.410 -6.494 5.158 1.00 9.56 H new ATOM 0 HZ2 LYS A 2 -20.809 -4.929 5.425 1.00 9.56 H new ATOM 0 HZ3 LYS A 2 -21.024 -5.496 3.839 1.00 9.56 H new ATOM 37 N ASP A 3 -15.080 -2.030 5.985 1.00 5.37 N ATOM 38 CA ASP A 3 -13.693 -1.567 5.938 1.00 5.76 C ATOM 39 C ASP A 3 -13.012 -2.096 4.676 1.00 4.53 C ATOM 40 O ASP A 3 -11.808 -2.335 4.634 1.00 4.96 O ATOM 41 CB ASP A 3 -12.962 -1.989 7.225 1.00 7.24 C ATOM 42 CG ASP A 3 -12.200 -0.813 7.830 1.00 8.84 C ATOM 43 OD1 ASP A 3 -11.611 -0.040 7.045 1.00 9.54 O ATOM 44 OD2 ASP A 3 -12.260 -0.684 9.073 1.00 9.76 O ATOM 0 H ASP A 3 -15.159 -3.047 5.984 1.00 5.37 H new ATOM 0 HA ASP A 3 -13.661 -0.479 5.888 1.00 5.76 H new ATOM 0 HB2 ASP A 3 -13.682 -2.371 7.948 1.00 7.24 H new ATOM 0 HB3 ASP A 3 -12.270 -2.801 7.005 1.00 7.24 H new ATOM 49 N VAL A 4 -13.808 -2.372 3.639 1.00 3.26 N ATOM 50 CA VAL A 4 -13.316 -3.005 2.437 1.00 2.20 C ATOM 51 C VAL A 4 -13.889 -2.265 1.239 1.00 1.56 C ATOM 52 O VAL A 4 -14.933 -2.620 0.695 1.00 1.95 O ATOM 53 CB VAL A 4 -13.637 -4.506 2.414 1.00 1.52 C ATOM 54 CG1 VAL A 4 -12.574 -5.197 1.565 1.00 1.91 C ATOM 55 CG2 VAL A 4 -13.652 -5.132 3.815 1.00 2.22 C ATOM 0 H VAL A 4 -14.805 -2.160 3.620 1.00 3.26 H new ATOM 0 HA VAL A 4 -12.228 -2.943 2.403 1.00 2.20 H new ATOM 0 HB VAL A 4 -14.637 -4.637 1.999 1.00 1.52 H new ATOM 0 HG11 VAL A 4 -12.776 -6.268 1.530 1.00 1.91 H new ATOM 0 HG12 VAL A 4 -12.595 -4.790 0.554 1.00 1.91 H new ATOM 0 HG13 VAL A 4 -11.591 -5.027 2.004 1.00 1.91 H new ATOM 0 HG21 VAL A 4 -13.884 -6.194 3.736 1.00 2.22 H new ATOM 0 HG22 VAL A 4 -12.674 -5.008 4.279 1.00 2.22 H new ATOM 0 HG23 VAL A 4 -14.409 -4.639 4.426 1.00 2.22 H new ATOM 65 N LYS A 5 -13.216 -1.199 0.818 1.00 1.38 N ATOM 66 CA LYS A 5 -13.639 -0.457 -0.349 1.00 0.89 C ATOM 67 C LYS A 5 -12.973 -1.128 -1.542 1.00 1.08 C ATOM 68 O LYS A 5 -11.988 -0.639 -2.070 1.00 2.31 O ATOM 69 CB LYS A 5 -13.260 1.019 -0.154 1.00 1.31 C ATOM 70 CG LYS A 5 -14.461 1.947 0.012 1.00 1.63 C ATOM 71 CD LYS A 5 -14.845 2.656 -1.286 1.00 2.68 C ATOM 72 CE LYS A 5 -15.707 1.793 -2.208 1.00 3.99 C ATOM 73 NZ LYS A 5 -16.703 2.632 -2.905 1.00 5.18 N ATOM 0 H LYS A 5 -12.378 -0.835 1.271 1.00 1.38 H new ATOM 0 HA LYS A 5 -14.716 -0.465 -0.515 1.00 0.89 H new ATOM 0 HB2 LYS A 5 -12.620 1.107 0.724 1.00 1.31 H new ATOM 0 HB3 LYS A 5 -12.673 1.350 -1.011 1.00 1.31 H new ATOM 0 HG2 LYS A 5 -15.313 1.370 0.371 1.00 1.63 H new ATOM 0 HG3 LYS A 5 -14.236 2.692 0.775 1.00 1.63 H new ATOM 0 HD2 LYS A 5 -15.384 3.572 -1.047 1.00 2.68 H new ATOM 0 HD3 LYS A 5 -13.938 2.949 -1.815 1.00 2.68 H new ATOM 0 HE2 LYS A 5 -15.076 1.283 -2.936 1.00 3.99 H new ATOM 0 HE3 LYS A 5 -16.213 1.021 -1.628 1.00 3.99 H new ATOM 0 HZ1 LYS A 5 -17.283 2.036 -3.529 1.00 5.18 H new ATOM 0 HZ2 LYS A 5 -17.314 3.099 -2.205 1.00 5.18 H new ATOM 0 HZ3 LYS A 5 -16.213 3.353 -3.473 1.00 5.18 H new ATOM 87 N TYR A 6 -13.488 -2.299 -1.917 1.00 0.66 N ATOM 88 CA TYR A 6 -13.179 -3.022 -3.130 1.00 0.57 C ATOM 89 C TYR A 6 -12.958 -2.013 -4.249 1.00 0.52 C ATOM 90 O TYR A 6 -13.908 -1.401 -4.732 1.00 0.70 O ATOM 91 CB TYR A 6 -14.319 -3.993 -3.461 1.00 0.64 C ATOM 92 CG TYR A 6 -14.397 -5.206 -2.554 1.00 0.78 C ATOM 93 CD1 TYR A 6 -15.151 -5.168 -1.366 1.00 1.99 C ATOM 94 CD2 TYR A 6 -13.717 -6.385 -2.911 1.00 1.88 C ATOM 95 CE1 TYR A 6 -15.252 -6.313 -0.556 1.00 2.16 C ATOM 96 CE2 TYR A 6 -13.822 -7.536 -2.114 1.00 2.08 C ATOM 97 CZ TYR A 6 -14.598 -7.509 -0.938 1.00 1.44 C ATOM 98 OH TYR A 6 -14.726 -8.641 -0.194 1.00 1.82 O ATOM 0 H TYR A 6 -14.172 -2.789 -1.341 1.00 0.66 H new ATOM 0 HA TYR A 6 -12.272 -3.614 -3.005 1.00 0.57 H new ATOM 0 HB2 TYR A 6 -15.265 -3.454 -3.408 1.00 0.64 H new ATOM 0 HB3 TYR A 6 -14.203 -4.332 -4.490 1.00 0.64 H new ATOM 0 HD1 TYR A 6 -15.653 -4.257 -1.076 1.00 1.99 H new ATOM 0 HD2 TYR A 6 -13.110 -6.405 -3.804 1.00 1.88 H new ATOM 0 HE1 TYR A 6 -15.828 -6.280 0.357 1.00 2.16 H new ATOM 0 HE2 TYR A 6 -13.308 -8.441 -2.402 1.00 2.08 H new ATOM 0 HH TYR A 6 -14.209 -9.364 -0.607 1.00 1.82 H new ATOM 108 N TYR A 7 -11.692 -1.796 -4.585 1.00 0.37 N ATOM 109 CA TYR A 7 -11.248 -0.904 -5.617 1.00 0.34 C ATOM 110 C TYR A 7 -10.637 -1.705 -6.759 1.00 0.38 C ATOM 111 O TYR A 7 -10.112 -2.807 -6.577 1.00 0.42 O ATOM 112 CB TYR A 7 -10.214 0.041 -5.009 1.00 0.33 C ATOM 113 CG TYR A 7 -10.797 1.261 -4.327 1.00 0.49 C ATOM 114 CD1 TYR A 7 -11.672 2.113 -5.022 1.00 2.19 C ATOM 115 CD2 TYR A 7 -10.464 1.550 -2.995 1.00 1.59 C ATOM 116 CE1 TYR A 7 -12.169 3.278 -4.414 1.00 2.40 C ATOM 117 CE2 TYR A 7 -10.994 2.685 -2.360 1.00 1.53 C ATOM 118 CZ TYR A 7 -11.820 3.574 -3.081 1.00 0.97 C ATOM 119 OH TYR A 7 -12.270 4.723 -2.502 1.00 1.24 O ATOM 0 H TYR A 7 -10.919 -2.267 -4.114 1.00 0.37 H new ATOM 0 HA TYR A 7 -12.083 -0.329 -6.017 1.00 0.34 H new ATOM 0 HB2 TYR A 7 -9.617 -0.513 -4.285 1.00 0.33 H new ATOM 0 HB3 TYR A 7 -9.536 0.371 -5.796 1.00 0.33 H new ATOM 0 HD1 TYR A 7 -11.965 1.870 -6.033 1.00 2.19 H new ATOM 0 HD2 TYR A 7 -9.796 0.896 -2.455 1.00 1.59 H new ATOM 0 HE1 TYR A 7 -12.816 3.944 -4.966 1.00 2.40 H new ATOM 0 HE2 TYR A 7 -10.770 2.877 -1.321 1.00 1.53 H new ATOM 0 HH TYR A 7 -11.941 4.776 -1.581 1.00 1.24 H new ATOM 129 N THR A 8 -10.698 -1.127 -7.951 1.00 0.43 N ATOM 130 CA THR A 8 -10.216 -1.747 -9.169 1.00 0.51 C ATOM 131 C THR A 8 -8.795 -1.300 -9.412 1.00 0.50 C ATOM 132 O THR A 8 -8.477 -0.160 -9.101 1.00 0.50 O ATOM 133 CB THR A 8 -11.109 -1.273 -10.320 1.00 0.60 C ATOM 134 OG1 THR A 8 -11.451 0.091 -10.148 1.00 0.70 O ATOM 135 CG2 THR A 8 -12.396 -2.084 -10.283 1.00 0.79 C ATOM 0 H THR A 8 -11.092 -0.197 -8.097 1.00 0.43 H new ATOM 0 HA THR A 8 -10.243 -2.834 -9.093 1.00 0.51 H new ATOM 0 HB THR A 8 -10.578 -1.400 -11.264 1.00 0.60 H new ATOM 0 HG1 THR A 8 -12.020 0.382 -10.891 1.00 0.70 H new ATOM 0 HG21 THR A 8 -13.050 -1.765 -11.094 1.00 0.79 H new ATOM 0 HG22 THR A 8 -12.163 -3.142 -10.400 1.00 0.79 H new ATOM 0 HG23 THR A 8 -12.898 -1.926 -9.328 1.00 0.79 H new ATOM 143 N LEU A 9 -7.964 -2.143 -10.027 1.00 0.57 N ATOM 144 CA LEU A 9 -6.561 -1.825 -10.255 1.00 0.58 C ATOM 145 C LEU A 9 -6.405 -0.423 -10.804 1.00 0.57 C ATOM 146 O LEU A 9 -5.665 0.364 -10.226 1.00 0.56 O ATOM 147 CB LEU A 9 -5.891 -2.838 -11.190 1.00 0.69 C ATOM 148 CG LEU A 9 -5.909 -4.277 -10.666 1.00 0.75 C ATOM 149 CD1 LEU A 9 -5.637 -4.326 -9.165 1.00 0.94 C ATOM 150 CD2 LEU A 9 -7.238 -4.975 -10.961 1.00 0.96 C ATOM 0 H LEU A 9 -8.246 -3.058 -10.378 1.00 0.57 H new ATOM 0 HA LEU A 9 -6.060 -1.881 -9.289 1.00 0.58 H new ATOM 0 HB2 LEU A 9 -6.391 -2.809 -12.158 1.00 0.69 H new ATOM 0 HB3 LEU A 9 -4.857 -2.535 -11.355 1.00 0.69 H new ATOM 0 HG LEU A 9 -5.114 -4.806 -11.191 1.00 0.75 H new ATOM 0 HD11 LEU A 9 -5.657 -5.362 -8.825 1.00 0.94 H new ATOM 0 HD12 LEU A 9 -4.657 -3.895 -8.958 1.00 0.94 H new ATOM 0 HD13 LEU A 9 -6.402 -3.756 -8.638 1.00 0.94 H new ATOM 0 HD21 LEU A 9 -7.208 -5.993 -10.573 1.00 0.96 H new ATOM 0 HD22 LEU A 9 -8.050 -4.428 -10.483 1.00 0.96 H new ATOM 0 HD23 LEU A 9 -7.403 -5.002 -12.038 1.00 0.96 H new ATOM 162 N GLU A 10 -7.127 -0.112 -11.883 1.00 0.70 N ATOM 163 CA GLU A 10 -7.120 1.202 -12.512 1.00 0.75 C ATOM 164 C GLU A 10 -7.270 2.314 -11.476 1.00 0.67 C ATOM 165 O GLU A 10 -6.529 3.291 -11.509 1.00 0.71 O ATOM 166 CB GLU A 10 -8.251 1.285 -13.548 1.00 0.88 C ATOM 167 CG GLU A 10 -7.684 1.248 -14.969 1.00 1.40 C ATOM 168 CD GLU A 10 -8.771 1.513 -16.013 1.00 1.66 C ATOM 169 OE1 GLU A 10 -9.471 2.540 -15.857 1.00 2.45 O ATOM 170 OE2 GLU A 10 -8.869 0.700 -16.956 1.00 2.73 O ATOM 0 H GLU A 10 -7.741 -0.780 -12.348 1.00 0.70 H new ATOM 0 HA GLU A 10 -6.160 1.339 -13.010 1.00 0.75 H new ATOM 0 HB2 GLU A 10 -8.944 0.456 -13.405 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -8.819 2.204 -13.401 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -6.895 1.993 -15.067 1.00 1.40 H new ATOM 0 HG3 GLU A 10 -7.229 0.275 -15.155 1.00 1.40 H new ATOM 177 N GLU A 11 -8.198 2.140 -10.536 1.00 0.62 N ATOM 178 CA GLU A 11 -8.426 3.078 -9.451 1.00 0.57 C ATOM 179 C GLU A 11 -7.179 3.210 -8.594 1.00 0.44 C ATOM 180 O GLU A 11 -6.687 4.311 -8.415 1.00 0.50 O ATOM 181 CB GLU A 11 -9.612 2.654 -8.577 1.00 0.60 C ATOM 182 CG GLU A 11 -9.975 3.762 -7.588 1.00 1.02 C ATOM 183 CD GLU A 11 -10.262 5.078 -8.316 1.00 1.13 C ATOM 184 OE1 GLU A 11 -11.160 5.051 -9.186 1.00 1.64 O ATOM 185 OE2 GLU A 11 -9.561 6.076 -8.054 1.00 2.27 O ATOM 0 H GLU A 11 -8.818 1.331 -10.511 1.00 0.62 H new ATOM 0 HA GLU A 11 -8.662 4.043 -9.898 1.00 0.57 H new ATOM 0 HB2 GLU A 11 -10.472 2.426 -9.207 1.00 0.60 H new ATOM 0 HB3 GLU A 11 -9.363 1.742 -8.034 1.00 0.60 H new ATOM 0 HG2 GLU A 11 -10.849 3.465 -7.009 1.00 1.02 H new ATOM 0 HG3 GLU A 11 -9.158 3.905 -6.881 1.00 1.02 H new ATOM 192 N ILE A 12 -6.613 2.109 -8.088 1.00 0.34 N ATOM 193 CA ILE A 12 -5.385 2.197 -7.304 1.00 0.31 C ATOM 194 C ILE A 12 -4.277 2.898 -8.108 1.00 0.33 C ATOM 195 O ILE A 12 -3.451 3.627 -7.554 1.00 0.37 O ATOM 196 CB ILE A 12 -4.973 0.791 -6.836 1.00 0.38 C ATOM 197 CG1 ILE A 12 -6.077 0.208 -5.938 1.00 0.38 C ATOM 198 CG2 ILE A 12 -3.632 0.818 -6.083 1.00 0.51 C ATOM 199 CD1 ILE A 12 -6.786 -1.001 -6.555 1.00 0.61 C ATOM 0 H ILE A 12 -6.980 1.165 -8.206 1.00 0.34 H new ATOM 0 HA ILE A 12 -5.558 2.806 -6.417 1.00 0.31 H new ATOM 0 HB ILE A 12 -4.843 0.160 -7.715 1.00 0.38 H new ATOM 0 HG12 ILE A 12 -5.642 -0.084 -4.982 1.00 0.38 H new ATOM 0 HG13 ILE A 12 -6.813 0.984 -5.729 1.00 0.38 H new ATOM 0 HG21 ILE A 12 -3.372 -0.192 -5.767 1.00 0.51 H new ATOM 0 HG22 ILE A 12 -2.853 1.204 -6.740 1.00 0.51 H new ATOM 0 HG23 ILE A 12 -3.719 1.461 -5.207 1.00 0.51 H new ATOM 0 HD11 ILE A 12 -7.552 -1.362 -5.869 1.00 0.61 H new ATOM 0 HD12 ILE A 12 -7.250 -0.709 -7.497 1.00 0.61 H new ATOM 0 HD13 ILE A 12 -6.061 -1.794 -6.739 1.00 0.61 H new ATOM 211 N LYS A 13 -4.302 2.771 -9.435 1.00 0.34 N ATOM 212 CA LYS A 13 -3.357 3.413 -10.341 1.00 0.42 C ATOM 213 C LYS A 13 -3.833 4.815 -10.731 1.00 0.55 C ATOM 214 O LYS A 13 -3.474 5.322 -11.790 1.00 1.10 O ATOM 215 CB LYS A 13 -3.136 2.507 -11.557 1.00 0.57 C ATOM 216 CG LYS A 13 -2.485 1.185 -11.109 1.00 1.03 C ATOM 217 CD LYS A 13 -3.142 -0.037 -11.755 1.00 1.04 C ATOM 218 CE LYS A 13 -2.477 -0.419 -13.070 1.00 1.39 C ATOM 219 NZ LYS A 13 -1.728 -1.684 -12.939 1.00 2.41 N ATOM 0 H LYS A 13 -4.998 2.204 -9.919 1.00 0.34 H new ATOM 0 HA LYS A 13 -2.399 3.549 -9.839 1.00 0.42 H new ATOM 0 HB2 LYS A 13 -4.087 2.306 -12.050 1.00 0.57 H new ATOM 0 HB3 LYS A 13 -2.499 3.009 -12.285 1.00 0.57 H new ATOM 0 HG2 LYS A 13 -1.425 1.201 -11.363 1.00 1.03 H new ATOM 0 HG3 LYS A 13 -2.552 1.099 -10.024 1.00 1.03 H new ATOM 0 HD2 LYS A 13 -3.093 -0.880 -11.066 1.00 1.04 H new ATOM 0 HD3 LYS A 13 -4.198 0.170 -11.930 1.00 1.04 H new ATOM 0 HE2 LYS A 13 -3.234 -0.520 -13.848 1.00 1.39 H new ATOM 0 HE3 LYS A 13 -1.801 0.377 -13.384 1.00 1.39 H new ATOM 0 HZ1 LYS A 13 -1.285 -1.921 -13.850 1.00 2.41 H new ATOM 0 HZ2 LYS A 13 -0.991 -1.578 -12.213 1.00 2.41 H new ATOM 0 HZ3 LYS A 13 -2.379 -2.446 -12.662 1.00 2.41 H new ATOM 233 N LYS A 14 -4.602 5.468 -9.860 1.00 0.48 N ATOM 234 CA LYS A 14 -5.100 6.825 -10.028 1.00 0.55 C ATOM 235 C LYS A 14 -4.801 7.670 -8.785 1.00 0.58 C ATOM 236 O LYS A 14 -5.316 8.777 -8.659 1.00 0.85 O ATOM 237 CB LYS A 14 -6.604 6.768 -10.372 1.00 0.67 C ATOM 238 CG LYS A 14 -6.910 7.307 -11.777 1.00 1.37 C ATOM 239 CD LYS A 14 -7.698 6.267 -12.575 1.00 2.56 C ATOM 240 CE LYS A 14 -8.007 6.793 -13.978 1.00 3.57 C ATOM 241 NZ LYS A 14 -9.459 6.942 -14.211 1.00 3.96 N ATOM 0 H LYS A 14 -4.905 5.045 -8.983 1.00 0.48 H new ATOM 0 HA LYS A 14 -4.587 7.316 -10.855 1.00 0.55 H new ATOM 0 HB2 LYS A 14 -6.951 5.737 -10.299 1.00 0.67 H new ATOM 0 HB3 LYS A 14 -7.163 7.345 -9.636 1.00 0.67 H new ATOM 0 HG2 LYS A 14 -7.482 8.232 -11.704 1.00 1.37 H new ATOM 0 HG3 LYS A 14 -5.981 7.547 -12.294 1.00 1.37 H new ATOM 0 HD2 LYS A 14 -7.125 5.342 -12.644 1.00 2.56 H new ATOM 0 HD3 LYS A 14 -8.627 6.029 -12.056 1.00 2.56 H new ATOM 0 HE2 LYS A 14 -7.517 7.757 -14.119 1.00 3.57 H new ATOM 0 HE3 LYS A 14 -7.590 6.112 -14.720 1.00 3.57 H new ATOM 0 HZ1 LYS A 14 -9.621 7.301 -15.174 1.00 3.96 H new ATOM 0 HZ2 LYS A 14 -9.925 6.018 -14.103 1.00 3.96 H new ATOM 0 HZ3 LYS A 14 -9.854 7.612 -13.521 1.00 3.96 H new ATOM 255 N HIS A 15 -3.959 7.168 -7.874 1.00 0.66 N ATOM 256 CA HIS A 15 -3.581 7.875 -6.658 1.00 0.75 C ATOM 257 C HIS A 15 -2.173 8.427 -6.839 1.00 1.31 C ATOM 258 O HIS A 15 -1.939 9.163 -7.792 1.00 2.92 O ATOM 259 CB HIS A 15 -3.740 6.922 -5.464 1.00 1.02 C ATOM 260 CG HIS A 15 -5.183 6.606 -5.247 1.00 1.00 C ATOM 261 ND1 HIS A 15 -6.067 7.278 -4.435 1.00 1.31 N ATOM 262 CD2 HIS A 15 -5.878 5.665 -5.940 1.00 1.13 C ATOM 263 CE1 HIS A 15 -7.279 6.741 -4.650 1.00 1.38 C ATOM 264 NE2 HIS A 15 -7.213 5.767 -5.566 1.00 1.21 N ATOM 0 H HIS A 15 -3.521 6.252 -7.967 1.00 0.66 H new ATOM 0 HA HIS A 15 -4.226 8.730 -6.455 1.00 0.75 H new ATOM 0 HB2 HIS A 15 -3.182 6.003 -5.645 1.00 1.02 H new ATOM 0 HB3 HIS A 15 -3.321 7.378 -4.567 1.00 1.02 H new ATOM 0 HD1 HIS A 15 -5.845 8.038 -3.793 1.00 1.31 H new ATOM 0 HD2 HIS A 15 -5.467 4.965 -6.652 1.00 1.13 H new ATOM 0 HE1 HIS A 15 -8.185 7.053 -4.151 1.00 1.38 H new ATOM 272 N ASN A 16 -1.233 8.033 -5.973 1.00 1.00 N ATOM 273 CA ASN A 16 0.186 8.364 -6.052 1.00 1.16 C ATOM 274 C ASN A 16 0.436 9.817 -6.428 1.00 1.17 C ATOM 275 O ASN A 16 1.203 10.120 -7.335 1.00 1.57 O ATOM 276 CB ASN A 16 0.942 7.379 -6.954 1.00 1.27 C ATOM 277 CG ASN A 16 0.506 7.385 -8.412 1.00 1.27 C ATOM 278 OD1 ASN A 16 1.129 7.981 -9.280 1.00 2.26 O ATOM 279 ND2 ASN A 16 -0.559 6.653 -8.710 1.00 1.63 N ATOM 0 H ASN A 16 -1.454 7.450 -5.165 1.00 1.00 H new ATOM 0 HA ASN A 16 0.592 8.253 -5.047 1.00 1.16 H new ATOM 0 HB2 ASN A 16 2.007 7.609 -6.907 1.00 1.27 H new ATOM 0 HB3 ASN A 16 0.815 6.372 -6.556 1.00 1.27 H new ATOM 0 HD21 ASN A 16 -0.873 6.579 -9.678 1.00 1.63 H new ATOM 0 HD22 ASN A 16 -1.065 6.164 -7.971 1.00 1.63 H new ATOM 286 N HIS A 17 -0.181 10.737 -5.694 1.00 1.03 N ATOM 287 CA HIS A 17 -0.119 12.148 -6.050 1.00 1.23 C ATOM 288 C HIS A 17 0.236 13.004 -4.844 1.00 1.60 C ATOM 289 O HIS A 17 -0.250 14.127 -4.720 1.00 3.38 O ATOM 290 CB HIS A 17 -1.412 12.576 -6.758 1.00 1.22 C ATOM 291 CG HIS A 17 -2.663 12.488 -5.927 1.00 2.11 C ATOM 292 ND1 HIS A 17 -2.939 13.225 -4.799 1.00 3.93 N ATOM 293 CD2 HIS A 17 -3.749 11.708 -6.196 1.00 2.22 C ATOM 294 CE1 HIS A 17 -4.162 12.868 -4.373 1.00 5.15 C ATOM 295 NE2 HIS A 17 -4.697 11.946 -5.193 1.00 4.11 N ATOM 0 H HIS A 17 -0.725 10.533 -4.856 1.00 1.03 H new ATOM 0 HA HIS A 17 0.689 12.306 -6.764 1.00 1.23 H new ATOM 0 HB2 HIS A 17 -1.295 13.604 -7.100 1.00 1.22 H new ATOM 0 HB3 HIS A 17 -1.542 11.957 -7.646 1.00 1.22 H new ATOM 0 HD1 HIS A 17 -2.327 13.916 -4.365 1.00 3.93 H new ATOM 0 HD2 HIS A 17 -3.858 11.031 -7.030 1.00 2.22 H new ATOM 0 HE1 HIS A 17 -4.648 13.266 -3.494 1.00 5.15 H new ATOM 303 N SER A 18 1.046 12.466 -3.922 1.00 0.96 N ATOM 304 CA SER A 18 1.476 13.118 -2.686 1.00 1.00 C ATOM 305 C SER A 18 0.348 13.026 -1.660 1.00 1.03 C ATOM 306 O SER A 18 0.450 12.314 -0.662 1.00 2.26 O ATOM 307 CB SER A 18 1.914 14.568 -2.955 1.00 1.20 C ATOM 308 OG SER A 18 2.564 15.107 -1.828 1.00 2.08 O ATOM 0 H SER A 18 1.433 11.528 -4.025 1.00 0.96 H new ATOM 0 HA SER A 18 2.349 12.608 -2.279 1.00 1.00 H new ATOM 0 HB2 SER A 18 2.582 14.598 -3.816 1.00 1.20 H new ATOM 0 HB3 SER A 18 1.044 15.176 -3.205 1.00 1.20 H new ATOM 0 HG SER A 18 2.837 16.029 -2.018 1.00 2.08 H new ATOM 314 N LYS A 19 -0.789 13.651 -1.962 1.00 1.00 N ATOM 315 CA LYS A 19 -2.010 13.589 -1.171 1.00 0.97 C ATOM 316 C LYS A 19 -2.746 12.247 -1.310 1.00 0.98 C ATOM 317 O LYS A 19 -3.907 12.157 -0.928 1.00 1.54 O ATOM 318 CB LYS A 19 -2.906 14.788 -1.536 1.00 1.33 C ATOM 319 CG LYS A 19 -2.843 15.868 -0.452 1.00 2.36 C ATOM 320 CD LYS A 19 -1.518 16.644 -0.478 1.00 3.33 C ATOM 321 CE LYS A 19 -1.776 18.131 -0.196 1.00 4.44 C ATOM 322 NZ LYS A 19 -1.122 18.601 1.043 1.00 5.70 N ATOM 0 H LYS A 19 -0.885 14.234 -2.794 1.00 1.00 H new ATOM 0 HA LYS A 19 -1.741 13.652 -0.117 1.00 0.97 H new ATOM 0 HB2 LYS A 19 -2.589 15.207 -2.491 1.00 1.33 H new ATOM 0 HB3 LYS A 19 -3.936 14.453 -1.661 1.00 1.33 H new ATOM 0 HG2 LYS A 19 -3.671 16.563 -0.587 1.00 2.36 H new ATOM 0 HG3 LYS A 19 -2.971 15.405 0.527 1.00 2.36 H new ATOM 0 HD2 LYS A 19 -0.834 16.237 0.267 1.00 3.33 H new ATOM 0 HD3 LYS A 19 -1.038 16.527 -1.449 1.00 3.33 H new ATOM 0 HE2 LYS A 19 -1.417 18.723 -1.038 1.00 4.44 H new ATOM 0 HE3 LYS A 19 -2.850 18.301 -0.121 1.00 4.44 H new ATOM 0 HZ1 LYS A 19 -1.330 19.610 1.184 1.00 5.70 H new ATOM 0 HZ2 LYS A 19 -1.482 18.057 1.853 1.00 5.70 H new ATOM 0 HZ3 LYS A 19 -0.094 18.467 0.965 1.00 5.70 H new ATOM 336 N SER A 20 -2.115 11.215 -1.869 1.00 0.81 N ATOM 337 CA SER A 20 -2.659 9.870 -1.932 1.00 0.86 C ATOM 338 C SER A 20 -1.497 8.953 -2.315 1.00 1.00 C ATOM 339 O SER A 20 -0.761 9.251 -3.254 1.00 2.19 O ATOM 340 CB SER A 20 -3.832 9.810 -2.908 1.00 1.02 C ATOM 341 OG SER A 20 -3.406 9.660 -4.234 1.00 3.07 O ATOM 0 H SER A 20 -1.193 11.298 -2.298 1.00 0.81 H new ATOM 0 HA SER A 20 -3.073 9.546 -0.977 1.00 0.86 H new ATOM 0 HB2 SER A 20 -4.484 8.978 -2.641 1.00 1.02 H new ATOM 0 HB3 SER A 20 -4.425 10.721 -2.819 1.00 1.02 H new ATOM 0 HG SER A 20 -2.530 10.084 -4.346 1.00 3.07 H new ATOM 347 N THR A 21 -1.240 7.893 -1.557 1.00 0.43 N ATOM 348 CA THR A 21 -0.161 6.969 -1.815 1.00 0.34 C ATOM 349 C THR A 21 -0.695 5.610 -1.419 1.00 0.33 C ATOM 350 O THR A 21 -0.545 5.151 -0.286 1.00 0.39 O ATOM 351 CB THR A 21 1.099 7.383 -1.060 1.00 0.33 C ATOM 352 OG1 THR A 21 1.629 8.542 -1.669 1.00 0.55 O ATOM 353 CG2 THR A 21 2.154 6.284 -1.123 1.00 0.33 C ATOM 0 H THR A 21 -1.791 7.654 -0.732 1.00 0.43 H new ATOM 0 HA THR A 21 0.146 6.954 -2.861 1.00 0.34 H new ATOM 0 HB THR A 21 0.839 7.568 -0.018 1.00 0.33 H new ATOM 0 HG1 THR A 21 1.007 8.865 -2.354 1.00 0.55 H new ATOM 0 HG21 THR A 21 3.043 6.601 -0.578 1.00 0.33 H new ATOM 0 HG22 THR A 21 1.758 5.374 -0.673 1.00 0.33 H new ATOM 0 HG23 THR A 21 2.416 6.090 -2.163 1.00 0.33 H new ATOM 361 N TRP A 22 -1.401 5.008 -2.366 1.00 0.30 N ATOM 362 CA TRP A 22 -1.911 3.672 -2.181 1.00 0.29 C ATOM 363 C TRP A 22 -0.855 2.703 -2.635 1.00 0.32 C ATOM 364 O TRP A 22 0.157 3.124 -3.175 1.00 0.37 O ATOM 365 CB TRP A 22 -3.204 3.531 -2.968 1.00 0.33 C ATOM 366 CG TRP A 22 -4.342 4.243 -2.323 1.00 0.29 C ATOM 367 CD1 TRP A 22 -4.273 5.085 -1.267 1.00 0.33 C ATOM 368 CD2 TRP A 22 -5.746 4.148 -2.660 1.00 0.30 C ATOM 369 NE1 TRP A 22 -5.536 5.524 -0.934 1.00 0.35 N ATOM 370 CE2 TRP A 22 -6.479 5.005 -1.790 1.00 0.36 C ATOM 371 CE3 TRP A 22 -6.460 3.417 -3.625 1.00 0.35 C ATOM 372 CZ2 TRP A 22 -7.859 5.182 -1.915 1.00 0.46 C ATOM 373 CZ3 TRP A 22 -7.846 3.583 -3.764 1.00 0.45 C ATOM 374 CH2 TRP A 22 -8.530 4.493 -2.937 1.00 0.51 C ATOM 0 H TRP A 22 -1.629 5.429 -3.266 1.00 0.30 H new ATOM 0 HA TRP A 22 -2.138 3.463 -1.135 1.00 0.29 H new ATOM 0 HB2 TRP A 22 -3.058 3.922 -3.975 1.00 0.33 H new ATOM 0 HB3 TRP A 22 -3.451 2.474 -3.070 1.00 0.33 H new ATOM 0 HD1 TRP A 22 -3.363 5.371 -0.760 1.00 0.33 H new ATOM 0 HE1 TRP A 22 -5.744 6.150 -0.156 1.00 0.35 H new ATOM 0 HE3 TRP A 22 -5.937 2.722 -4.265 1.00 0.35 H new ATOM 0 HZ2 TRP A 22 -8.396 5.833 -1.242 1.00 0.46 H new ATOM 0 HZ3 TRP A 22 -8.387 3.013 -4.505 1.00 0.45 H new ATOM 0 HH2 TRP A 22 -9.585 4.663 -3.091 1.00 0.51 H new ATOM 385 N LEU A 23 -1.082 1.416 -2.431 1.00 0.33 N ATOM 386 CA LEU A 23 -0.187 0.374 -2.883 1.00 0.38 C ATOM 387 C LEU A 23 -0.897 -0.954 -2.689 1.00 0.40 C ATOM 388 O LEU A 23 -1.899 -1.035 -1.970 1.00 0.47 O ATOM 389 CB LEU A 23 1.177 0.489 -2.177 1.00 0.40 C ATOM 390 CG LEU A 23 1.110 0.711 -0.657 1.00 0.42 C ATOM 391 CD1 LEU A 23 0.829 -0.598 0.047 1.00 0.53 C ATOM 392 CD2 LEU A 23 2.447 1.253 -0.140 1.00 0.53 C ATOM 0 H LEU A 23 -1.905 1.065 -1.940 1.00 0.33 H new ATOM 0 HA LEU A 23 0.050 0.468 -3.943 1.00 0.38 H new ATOM 0 HB2 LEU A 23 1.746 -0.420 -2.371 1.00 0.40 H new ATOM 0 HB3 LEU A 23 1.732 1.314 -2.625 1.00 0.40 H new ATOM 0 HG LEU A 23 0.313 1.427 -0.454 1.00 0.42 H new ATOM 0 HD11 LEU A 23 0.784 -0.430 1.123 1.00 0.53 H new ATOM 0 HD12 LEU A 23 -0.124 -1.000 -0.298 1.00 0.53 H new ATOM 0 HD13 LEU A 23 1.624 -1.309 -0.176 1.00 0.53 H new ATOM 0 HD21 LEU A 23 2.386 1.406 0.938 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.239 0.538 -0.361 1.00 0.53 H new ATOM 0 HD23 LEU A 23 2.668 2.202 -0.629 1.00 0.53 H new ATOM 404 N ILE A 24 -0.385 -1.992 -3.333 1.00 0.38 N ATOM 405 CA ILE A 24 -0.962 -3.312 -3.294 1.00 0.41 C ATOM 406 C ILE A 24 0.072 -4.144 -2.556 1.00 0.44 C ATOM 407 O ILE A 24 1.137 -4.440 -3.098 1.00 0.45 O ATOM 408 CB ILE A 24 -1.202 -3.834 -4.720 1.00 0.45 C ATOM 409 CG1 ILE A 24 -2.243 -2.921 -5.384 1.00 0.48 C ATOM 410 CG2 ILE A 24 -1.686 -5.295 -4.648 1.00 0.56 C ATOM 411 CD1 ILE A 24 -2.359 -3.104 -6.900 1.00 1.69 C ATOM 0 H ILE A 24 0.457 -1.932 -3.905 1.00 0.38 H new ATOM 0 HA ILE A 24 -1.934 -3.342 -2.802 1.00 0.41 H new ATOM 0 HB ILE A 24 -0.287 -3.819 -5.313 1.00 0.45 H new ATOM 0 HG12 ILE A 24 -3.216 -3.108 -4.931 1.00 0.48 H new ATOM 0 HG13 ILE A 24 -1.987 -1.883 -5.173 1.00 0.48 H new ATOM 0 HG21 ILE A 24 -1.858 -5.671 -5.656 1.00 0.56 H new ATOM 0 HG22 ILE A 24 -0.928 -5.906 -4.157 1.00 0.56 H new ATOM 0 HG23 ILE A 24 -2.615 -5.343 -4.079 1.00 0.56 H new ATOM 0 HD11 ILE A 24 -3.115 -2.423 -7.292 1.00 1.69 H new ATOM 0 HD12 ILE A 24 -1.398 -2.887 -7.367 1.00 1.69 H new ATOM 0 HD13 ILE A 24 -2.647 -4.132 -7.121 1.00 1.69 H new ATOM 423 N LEU A 25 -0.204 -4.473 -1.300 1.00 0.53 N ATOM 424 CA LEU A 25 0.653 -5.338 -0.519 1.00 0.55 C ATOM 425 C LEU A 25 -0.108 -6.601 -0.203 1.00 0.68 C ATOM 426 O LEU A 25 -0.803 -6.657 0.798 1.00 1.15 O ATOM 427 CB LEU A 25 1.122 -4.612 0.746 1.00 0.56 C ATOM 428 CG LEU A 25 2.346 -3.761 0.443 1.00 0.51 C ATOM 429 CD1 LEU A 25 2.609 -2.814 1.605 1.00 0.58 C ATOM 430 CD2 LEU A 25 3.558 -4.647 0.280 1.00 0.64 C ATOM 0 H LEU A 25 -1.030 -4.144 -0.800 1.00 0.53 H new ATOM 0 HA LEU A 25 1.549 -5.603 -1.080 1.00 0.55 H new ATOM 0 HB2 LEU A 25 0.320 -3.983 1.131 1.00 0.56 H new ATOM 0 HB3 LEU A 25 1.359 -5.338 1.524 1.00 0.56 H new ATOM 0 HG LEU A 25 2.163 -3.200 -0.473 1.00 0.51 H new ATOM 0 HD11 LEU A 25 3.486 -2.205 1.387 1.00 0.58 H new ATOM 0 HD12 LEU A 25 1.744 -2.166 1.749 1.00 0.58 H new ATOM 0 HD13 LEU A 25 2.785 -3.392 2.512 1.00 0.58 H new ATOM 0 HD21 LEU A 25 4.432 -4.032 0.063 1.00 0.64 H new ATOM 0 HD22 LEU A 25 3.727 -5.206 1.201 1.00 0.64 H new ATOM 0 HD23 LEU A 25 3.392 -5.344 -0.542 1.00 0.64 H new ATOM 442 N HIS A 26 0.050 -7.630 -1.028 1.00 0.56 N ATOM 443 CA HIS A 26 -0.605 -8.917 -0.831 1.00 0.63 C ATOM 444 C HIS A 26 -2.099 -8.812 -1.141 1.00 0.65 C ATOM 445 O HIS A 26 -2.904 -8.851 -0.218 1.00 1.21 O ATOM 446 CB HIS A 26 -0.389 -9.480 0.594 1.00 0.73 C ATOM 447 CG HIS A 26 1.045 -9.536 1.048 1.00 1.22 C ATOM 448 ND1 HIS A 26 1.836 -10.661 1.050 1.00 1.89 N ATOM 449 CD2 HIS A 26 1.795 -8.501 1.542 1.00 1.58 C ATOM 450 CE1 HIS A 26 3.053 -10.301 1.488 1.00 2.50 C ATOM 451 NE2 HIS A 26 3.062 -9.006 1.843 1.00 2.32 N ATOM 0 H HIS A 26 0.641 -7.594 -1.859 1.00 0.56 H new ATOM 0 HA HIS A 26 -0.143 -9.618 -1.526 1.00 0.63 H new ATOM 0 HB2 HIS A 26 -0.953 -8.869 1.299 1.00 0.73 H new ATOM 0 HB3 HIS A 26 -0.807 -10.486 0.638 1.00 0.73 H new ATOM 0 HD1 HIS A 26 1.550 -11.599 0.770 1.00 1.89 H new ATOM 0 HD2 HIS A 26 1.466 -7.481 1.674 1.00 1.58 H new ATOM 0 HE1 HIS A 26 3.906 -10.961 1.547 1.00 2.50 H new ATOM 459 N HIS A 27 -2.478 -8.795 -2.429 1.00 0.56 N ATOM 460 CA HIS A 27 -3.868 -8.704 -2.899 1.00 0.59 C ATOM 461 C HIS A 27 -4.771 -7.925 -1.939 1.00 0.54 C ATOM 462 O HIS A 27 -5.845 -8.375 -1.546 1.00 0.66 O ATOM 463 CB HIS A 27 -4.427 -10.117 -3.177 1.00 0.71 C ATOM 464 CG HIS A 27 -4.154 -11.161 -2.113 1.00 1.38 C ATOM 465 ND1 HIS A 27 -2.935 -11.708 -1.803 1.00 2.53 N flip ATOM 466 CD2 HIS A 27 -5.093 -11.771 -1.312 1.00 2.36 C flip ATOM 467 CE1 HIS A 27 -3.127 -12.644 -0.785 1.00 3.04 C flip ATOM 468 NE2 HIS A 27 -4.444 -12.656 -0.531 1.00 2.89 N flip ATOM 0 H HIS A 27 -1.805 -8.846 -3.194 1.00 0.56 H new ATOM 0 HA HIS A 27 -3.860 -8.136 -3.830 1.00 0.59 H new ATOM 0 HB2 HIS A 27 -5.506 -10.039 -3.313 1.00 0.71 H new ATOM 0 HB3 HIS A 27 -4.012 -10.471 -4.120 1.00 0.71 H new ATOM 0 HD2 HIS A 27 -6.155 -11.576 -1.310 1.00 2.36 H new ATOM 0 HE1 HIS A 27 -2.368 -13.239 -0.300 1.00 3.04 H new ATOM 0 HE2 HIS A 27 -4.894 -13.255 0.161 1.00 2.89 H new ATOM 476 N LYS A 28 -4.323 -6.721 -1.584 1.00 0.51 N ATOM 477 CA LYS A 28 -5.005 -5.826 -0.670 1.00 0.45 C ATOM 478 C LYS A 28 -4.650 -4.415 -1.078 1.00 0.37 C ATOM 479 O LYS A 28 -3.609 -4.210 -1.691 1.00 0.44 O ATOM 480 CB LYS A 28 -4.538 -6.105 0.761 1.00 0.60 C ATOM 481 CG LYS A 28 -5.529 -7.034 1.463 1.00 0.80 C ATOM 482 CD LYS A 28 -4.843 -8.070 2.353 1.00 1.23 C ATOM 483 CE LYS A 28 -5.838 -9.198 2.610 1.00 1.58 C ATOM 484 NZ LYS A 28 -5.404 -10.042 3.741 1.00 2.21 N ATOM 0 H LYS A 28 -3.448 -6.336 -1.940 1.00 0.51 H new ATOM 0 HA LYS A 28 -6.085 -5.969 -0.707 1.00 0.45 H new ATOM 0 HB2 LYS A 28 -3.548 -6.560 0.747 1.00 0.60 H new ATOM 0 HB3 LYS A 28 -4.451 -5.169 1.313 1.00 0.60 H new ATOM 0 HG2 LYS A 28 -6.212 -6.438 2.068 1.00 0.80 H new ATOM 0 HG3 LYS A 28 -6.131 -7.548 0.714 1.00 0.80 H new ATOM 0 HD2 LYS A 28 -3.946 -8.455 1.869 1.00 1.23 H new ATOM 0 HD3 LYS A 28 -4.528 -7.617 3.293 1.00 1.23 H new ATOM 0 HE2 LYS A 28 -6.821 -8.778 2.822 1.00 1.58 H new ATOM 0 HE3 LYS A 28 -5.939 -9.810 1.713 1.00 1.58 H new ATOM 0 HZ1 LYS A 28 -6.098 -10.801 3.894 1.00 2.21 H new ATOM 0 HZ2 LYS A 28 -4.476 -10.460 3.526 1.00 2.21 H new ATOM 0 HZ3 LYS A 28 -5.332 -9.461 4.600 1.00 2.21 H new ATOM 498 N VAL A 29 -5.493 -3.456 -0.726 1.00 0.34 N ATOM 499 CA VAL A 29 -5.323 -2.069 -1.086 1.00 0.33 C ATOM 500 C VAL A 29 -5.091 -1.336 0.219 1.00 0.34 C ATOM 501 O VAL A 29 -5.969 -1.276 1.080 1.00 0.40 O ATOM 502 CB VAL A 29 -6.588 -1.604 -1.806 1.00 0.36 C ATOM 503 CG1 VAL A 29 -6.922 -0.138 -1.594 1.00 0.77 C ATOM 504 CG2 VAL A 29 -6.655 -1.976 -3.270 1.00 0.54 C ATOM 0 H VAL A 29 -6.330 -3.631 -0.170 1.00 0.34 H new ATOM 0 HA VAL A 29 -4.487 -1.887 -1.761 1.00 0.33 H new ATOM 0 HB VAL A 29 -7.370 -2.180 -1.310 1.00 0.36 H new ATOM 0 HG11 VAL A 29 -7.833 0.110 -2.139 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -7.072 0.051 -0.531 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -6.101 0.479 -1.960 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -7.587 -1.605 -3.697 1.00 0.54 H new ATOM 0 HG22 VAL A 29 -5.811 -1.531 -3.797 1.00 0.54 H new ATOM 0 HG23 VAL A 29 -6.616 -3.061 -3.372 1.00 0.54 H new ATOM 514 N TYR A 30 -3.893 -0.789 0.364 1.00 0.37 N ATOM 515 CA TYR A 30 -3.513 -0.017 1.508 1.00 0.40 C ATOM 516 C TYR A 30 -3.302 1.433 1.092 1.00 0.38 C ATOM 517 O TYR A 30 -3.171 1.724 -0.098 1.00 0.50 O ATOM 518 CB TYR A 30 -2.221 -0.621 2.018 1.00 0.48 C ATOM 519 CG TYR A 30 -2.330 -1.997 2.632 1.00 0.49 C ATOM 520 CD1 TYR A 30 -2.587 -2.149 4.005 1.00 1.81 C ATOM 521 CD2 TYR A 30 -2.169 -3.136 1.828 1.00 1.92 C ATOM 522 CE1 TYR A 30 -2.659 -3.435 4.574 1.00 1.75 C ATOM 523 CE2 TYR A 30 -2.229 -4.410 2.410 1.00 2.02 C ATOM 524 CZ TYR A 30 -2.452 -4.572 3.787 1.00 0.69 C ATOM 525 OH TYR A 30 -2.522 -5.812 4.350 1.00 0.87 O ATOM 0 H TYR A 30 -3.153 -0.879 -0.332 1.00 0.37 H new ATOM 0 HA TYR A 30 -4.279 -0.032 2.284 1.00 0.40 H new ATOM 0 HB2 TYR A 30 -1.514 -0.669 1.190 1.00 0.48 H new ATOM 0 HB3 TYR A 30 -1.796 0.054 2.761 1.00 0.48 H new ATOM 0 HD1 TYR A 30 -2.730 -1.277 4.626 1.00 1.81 H new ATOM 0 HD2 TYR A 30 -2.000 -3.032 0.766 1.00 1.92 H new ATOM 0 HE1 TYR A 30 -2.876 -3.544 5.626 1.00 1.75 H new ATOM 0 HE2 TYR A 30 -2.101 -5.283 1.788 1.00 2.02 H new ATOM 0 HH TYR A 30 -2.355 -6.492 3.665 1.00 0.87 H new ATOM 535 N ASP A 31 -3.214 2.319 2.082 1.00 0.30 N ATOM 536 CA ASP A 31 -3.043 3.748 1.929 1.00 0.28 C ATOM 537 C ASP A 31 -2.168 4.232 3.054 1.00 0.33 C ATOM 538 O ASP A 31 -2.584 4.275 4.212 1.00 0.55 O ATOM 539 CB ASP A 31 -4.371 4.475 2.031 1.00 0.39 C ATOM 540 CG ASP A 31 -4.217 5.971 1.787 1.00 0.43 C ATOM 541 OD1 ASP A 31 -3.078 6.405 1.509 1.00 1.69 O ATOM 542 OD2 ASP A 31 -5.266 6.650 1.756 1.00 1.73 O ATOM 0 H ASP A 31 -3.264 2.037 3.061 1.00 0.30 H new ATOM 0 HA ASP A 31 -2.605 3.946 0.951 1.00 0.28 H new ATOM 0 HB2 ASP A 31 -5.070 4.058 1.306 1.00 0.39 H new ATOM 0 HB3 ASP A 31 -4.801 4.310 3.019 1.00 0.39 H new ATOM 547 N LEU A 32 -0.933 4.565 2.717 1.00 0.32 N ATOM 548 CA LEU A 32 0.020 5.024 3.695 1.00 0.47 C ATOM 549 C LEU A 32 0.314 6.490 3.405 1.00 0.36 C ATOM 550 O LEU A 32 1.415 6.960 3.644 1.00 0.39 O ATOM 551 CB LEU A 32 1.253 4.107 3.754 1.00 0.74 C ATOM 552 CG LEU A 32 1.168 2.783 2.998 1.00 0.48 C ATOM 553 CD1 LEU A 32 2.547 2.149 2.978 1.00 0.47 C ATOM 554 CD2 LEU A 32 0.258 1.798 3.711 1.00 0.54 C ATOM 0 H LEU A 32 -0.572 4.523 1.764 1.00 0.32 H new ATOM 0 HA LEU A 32 -0.385 4.966 4.705 1.00 0.47 H new ATOM 0 HB2 LEU A 32 2.108 4.663 3.369 1.00 0.74 H new ATOM 0 HB3 LEU A 32 1.462 3.887 4.801 1.00 0.74 H new ATOM 0 HG LEU A 32 0.785 2.992 1.999 1.00 0.48 H new ATOM 0 HD11 LEU A 32 2.504 1.201 2.441 1.00 0.47 H new ATOM 0 HD12 LEU A 32 3.248 2.818 2.478 1.00 0.47 H new ATOM 0 HD13 LEU A 32 2.881 1.972 4.000 1.00 0.47 H new ATOM 0 HD21 LEU A 32 0.219 0.866 3.148 1.00 0.54 H new ATOM 0 HD22 LEU A 32 0.646 1.602 4.711 1.00 0.54 H new ATOM 0 HD23 LEU A 32 -0.745 2.218 3.787 1.00 0.54 H new ATOM 566 N THR A 33 -0.659 7.251 2.906 1.00 0.35 N ATOM 567 CA THR A 33 -0.485 8.660 2.614 1.00 0.27 C ATOM 568 C THR A 33 -0.043 9.415 3.850 1.00 0.25 C ATOM 569 O THR A 33 0.998 10.064 3.850 1.00 0.39 O ATOM 570 CB THR A 33 -1.813 9.214 2.096 1.00 0.41 C ATOM 571 OG1 THR A 33 -1.719 9.121 0.719 1.00 0.94 O ATOM 572 CG2 THR A 33 -2.089 10.687 2.347 1.00 0.71 C ATOM 0 H THR A 33 -1.593 6.899 2.694 1.00 0.35 H new ATOM 0 HA THR A 33 0.290 8.784 1.858 1.00 0.27 H new ATOM 0 HB THR A 33 -2.596 8.654 2.606 1.00 0.41 H new ATOM 0 HG1 THR A 33 -1.065 9.773 0.391 1.00 0.94 H new ATOM 0 HG21 THR A 33 -3.061 10.951 1.930 1.00 0.71 H new ATOM 0 HG22 THR A 33 -2.090 10.879 3.420 1.00 0.71 H new ATOM 0 HG23 THR A 33 -1.315 11.289 1.871 1.00 0.71 H new ATOM 580 N LYS A 34 -0.819 9.320 4.929 1.00 0.37 N ATOM 581 CA LYS A 34 -0.472 10.024 6.150 1.00 0.45 C ATOM 582 C LYS A 34 0.660 9.301 6.880 1.00 0.37 C ATOM 583 O LYS A 34 1.098 9.757 7.927 1.00 0.45 O ATOM 584 CB LYS A 34 -1.723 10.174 7.024 1.00 0.65 C ATOM 585 CG LYS A 34 -1.524 11.267 8.088 1.00 1.35 C ATOM 586 CD LYS A 34 -1.473 10.715 9.521 1.00 1.14 C ATOM 587 CE LYS A 34 -2.601 11.315 10.368 1.00 1.91 C ATOM 588 NZ LYS A 34 -3.141 10.331 11.328 1.00 2.73 N ATOM 0 H LYS A 34 -1.677 8.771 4.978 1.00 0.37 H new ATOM 0 HA LYS A 34 -0.107 11.023 5.910 1.00 0.45 H new ATOM 0 HB2 LYS A 34 -2.580 10.422 6.398 1.00 0.65 H new ATOM 0 HB3 LYS A 34 -1.947 9.225 7.510 1.00 0.65 H new ATOM 0 HG2 LYS A 34 -0.599 11.804 7.879 1.00 1.35 H new ATOM 0 HG3 LYS A 34 -2.336 11.990 8.013 1.00 1.35 H new ATOM 0 HD2 LYS A 34 -1.563 9.629 9.502 1.00 1.14 H new ATOM 0 HD3 LYS A 34 -0.508 10.947 9.972 1.00 1.14 H new ATOM 0 HE2 LYS A 34 -2.228 12.185 10.909 1.00 1.91 H new ATOM 0 HE3 LYS A 34 -3.401 11.664 9.715 1.00 1.91 H new ATOM 0 HZ1 LYS A 34 -3.902 10.770 11.884 1.00 2.73 H new ATOM 0 HZ2 LYS A 34 -3.519 9.512 10.810 1.00 2.73 H new ATOM 0 HZ3 LYS A 34 -2.383 10.017 11.966 1.00 2.73 H new ATOM 602 N PHE A 35 1.117 8.171 6.337 1.00 0.28 N ATOM 603 CA PHE A 35 2.198 7.370 6.864 1.00 0.27 C ATOM 604 C PHE A 35 3.474 7.604 6.072 1.00 0.26 C ATOM 605 O PHE A 35 4.530 7.158 6.492 1.00 0.30 O ATOM 606 CB PHE A 35 1.813 5.908 6.721 1.00 0.30 C ATOM 607 CG PHE A 35 2.738 4.925 7.404 1.00 0.29 C ATOM 608 CD1 PHE A 35 2.960 5.003 8.789 1.00 1.40 C ATOM 609 CD2 PHE A 35 3.409 3.947 6.650 1.00 1.37 C ATOM 610 CE1 PHE A 35 3.869 4.126 9.407 1.00 1.41 C ATOM 611 CE2 PHE A 35 4.257 3.028 7.276 1.00 1.38 C ATOM 612 CZ PHE A 35 4.530 3.141 8.651 1.00 0.38 C ATOM 0 H PHE A 35 0.720 7.782 5.482 1.00 0.28 H new ATOM 0 HA PHE A 35 2.370 7.640 7.906 1.00 0.27 H new ATOM 0 HB2 PHE A 35 0.808 5.773 7.121 1.00 0.30 H new ATOM 0 HB3 PHE A 35 1.769 5.663 5.660 1.00 0.30 H new ATOM 0 HD1 PHE A 35 2.432 5.737 9.380 1.00 1.40 H new ATOM 0 HD2 PHE A 35 3.269 3.905 5.580 1.00 1.37 H new ATOM 0 HE1 PHE A 35 4.060 4.209 10.467 1.00 1.41 H new ATOM 0 HE2 PHE A 35 4.703 2.229 6.702 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.240 2.478 9.122 1.00 0.38 H new ATOM 622 N LEU A 36 3.403 8.281 4.924 1.00 0.26 N ATOM 623 CA LEU A 36 4.574 8.608 4.130 1.00 0.33 C ATOM 624 C LEU A 36 5.617 9.277 4.992 1.00 0.40 C ATOM 625 O LEU A 36 6.691 8.725 5.198 1.00 0.45 O ATOM 626 CB LEU A 36 4.149 9.460 2.913 1.00 0.41 C ATOM 627 CG LEU A 36 3.578 8.695 1.712 1.00 0.52 C ATOM 628 CD1 LEU A 36 3.428 9.644 0.515 1.00 1.06 C ATOM 629 CD2 LEU A 36 4.476 7.522 1.364 1.00 0.72 C ATOM 0 H LEU A 36 2.527 8.616 4.524 1.00 0.26 H new ATOM 0 HA LEU A 36 5.035 7.700 3.740 1.00 0.33 H new ATOM 0 HB2 LEU A 36 3.403 10.182 3.245 1.00 0.41 H new ATOM 0 HB3 LEU A 36 5.015 10.029 2.575 1.00 0.41 H new ATOM 0 HG LEU A 36 2.594 8.304 1.969 1.00 0.52 H new ATOM 0 HD11 LEU A 36 3.022 9.096 -0.335 1.00 1.06 H new ATOM 0 HD12 LEU A 36 2.752 10.458 0.778 1.00 1.06 H new ATOM 0 HD13 LEU A 36 4.403 10.053 0.251 1.00 1.06 H new ATOM 0 HD21 LEU A 36 4.061 6.987 0.510 1.00 0.72 H new ATOM 0 HD22 LEU A 36 5.472 7.888 1.113 1.00 0.72 H new ATOM 0 HD23 LEU A 36 4.541 6.848 2.218 1.00 0.72 H new ATOM 641 N GLU A 37 5.272 10.408 5.583 1.00 0.54 N ATOM 642 CA GLU A 37 6.194 11.108 6.462 1.00 0.66 C ATOM 643 C GLU A 37 6.080 10.586 7.901 1.00 0.67 C ATOM 644 O GLU A 37 6.411 11.283 8.854 1.00 1.01 O ATOM 645 CB GLU A 37 5.928 12.608 6.346 1.00 0.85 C ATOM 646 CG GLU A 37 6.342 13.101 4.952 1.00 1.42 C ATOM 647 CD GLU A 37 6.013 14.580 4.746 1.00 1.86 C ATOM 648 OE1 GLU A 37 6.225 15.363 5.698 1.00 2.42 O ATOM 649 OE2 GLU A 37 5.536 14.909 3.636 1.00 2.86 O ATOM 0 H GLU A 37 4.364 10.860 5.471 1.00 0.54 H new ATOM 0 HA GLU A 37 7.225 10.921 6.162 1.00 0.66 H new ATOM 0 HB2 GLU A 37 4.871 12.814 6.516 1.00 0.85 H new ATOM 0 HB3 GLU A 37 6.485 13.146 7.113 1.00 0.85 H new ATOM 0 HG2 GLU A 37 7.412 12.945 4.816 1.00 1.42 H new ATOM 0 HG3 GLU A 37 5.834 12.507 4.192 1.00 1.42 H new ATOM 656 N GLU A 38 5.592 9.356 8.073 1.00 0.51 N ATOM 657 CA GLU A 38 5.417 8.707 9.363 1.00 0.56 C ATOM 658 C GLU A 38 5.931 7.257 9.342 1.00 0.57 C ATOM 659 O GLU A 38 5.742 6.534 10.321 1.00 0.84 O ATOM 660 CB GLU A 38 3.936 8.798 9.788 1.00 0.79 C ATOM 661 CG GLU A 38 3.717 9.744 10.979 1.00 1.17 C ATOM 662 CD GLU A 38 2.592 9.257 11.903 1.00 1.30 C ATOM 663 OE1 GLU A 38 2.777 8.178 12.509 1.00 2.03 O ATOM 664 OE2 GLU A 38 1.563 9.965 12.010 1.00 2.22 O ATOM 0 H GLU A 38 5.300 8.770 7.291 1.00 0.51 H new ATOM 0 HA GLU A 38 6.019 9.228 10.108 1.00 0.56 H new ATOM 0 HB2 GLU A 38 3.340 9.141 8.942 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.575 7.803 10.049 1.00 0.79 H new ATOM 0 HG2 GLU A 38 4.642 9.829 11.549 1.00 1.17 H new ATOM 0 HG3 GLU A 38 3.477 10.741 10.610 1.00 1.17 H new ATOM 671 N HIS A 39 6.595 6.815 8.262 1.00 0.43 N ATOM 672 CA HIS A 39 7.110 5.459 8.144 1.00 0.49 C ATOM 673 C HIS A 39 8.564 5.445 8.601 1.00 0.51 C ATOM 674 O HIS A 39 9.359 6.257 8.127 1.00 0.76 O ATOM 675 CB HIS A 39 6.974 4.931 6.714 1.00 0.61 C ATOM 676 CG HIS A 39 7.679 3.612 6.424 1.00 0.45 C ATOM 677 ND1 HIS A 39 8.717 3.518 5.554 1.00 0.61 N ATOM 678 CD2 HIS A 39 7.408 2.330 6.831 1.00 0.48 C ATOM 679 CE1 HIS A 39 9.062 2.246 5.382 1.00 0.66 C ATOM 680 NE2 HIS A 39 8.265 1.470 6.121 1.00 0.43 N ATOM 0 H HIS A 39 6.786 7.398 7.447 1.00 0.43 H new ATOM 0 HA HIS A 39 6.523 4.796 8.779 1.00 0.49 H new ATOM 0 HB2 HIS A 39 5.914 4.811 6.490 1.00 0.61 H new ATOM 0 HB3 HIS A 39 7.361 5.686 6.030 1.00 0.61 H new ATOM 0 HD1 HIS A 39 9.168 4.311 5.097 1.00 0.61 H new ATOM 0 HD2 HIS A 39 6.671 2.035 7.563 1.00 0.48 H new ATOM 0 HE1 HIS A 39 9.861 1.895 4.745 1.00 0.66 H new ATOM 688 N PRO A 40 8.926 4.528 9.508 1.00 0.63 N ATOM 689 CA PRO A 40 10.282 4.383 9.987 1.00 0.66 C ATOM 690 C PRO A 40 11.160 3.759 8.902 1.00 1.14 C ATOM 691 O PRO A 40 11.288 2.541 8.803 1.00 2.11 O ATOM 692 CB PRO A 40 10.185 3.535 11.259 1.00 0.88 C ATOM 693 CG PRO A 40 8.846 2.805 11.162 1.00 1.33 C ATOM 694 CD PRO A 40 8.034 3.559 10.118 1.00 1.11 C ATOM 0 HA PRO A 40 10.755 5.337 10.220 1.00 0.66 H new ATOM 0 HB2 PRO A 40 11.013 2.829 11.324 1.00 0.88 H new ATOM 0 HB3 PRO A 40 10.228 4.160 12.151 1.00 0.88 H new ATOM 0 HG2 PRO A 40 8.989 1.765 10.869 1.00 1.33 H new ATOM 0 HG3 PRO A 40 8.334 2.798 12.124 1.00 1.33 H new ATOM 0 HD2 PRO A 40 7.638 2.874 9.369 1.00 1.11 H new ATOM 0 HD3 PRO A 40 7.180 4.056 10.578 1.00 1.11 H new ATOM 702 N GLY A 41 11.773 4.609 8.077 1.00 0.69 N ATOM 703 CA GLY A 41 12.702 4.179 7.050 1.00 1.12 C ATOM 704 C GLY A 41 12.758 5.213 5.941 1.00 0.59 C ATOM 705 O GLY A 41 13.705 5.988 5.855 1.00 0.77 O ATOM 0 H GLY A 41 11.633 5.619 8.109 1.00 0.69 H new ATOM 0 HA2 GLY A 41 13.694 4.039 7.480 1.00 1.12 H new ATOM 0 HA3 GLY A 41 12.391 3.216 6.646 1.00 1.12 H new ATOM 709 N GLY A 42 11.738 5.222 5.087 1.00 0.48 N ATOM 710 CA GLY A 42 11.653 6.156 3.978 1.00 0.65 C ATOM 711 C GLY A 42 10.214 6.415 3.560 1.00 0.49 C ATOM 712 O GLY A 42 9.297 5.697 3.909 1.00 0.95 O ATOM 0 H GLY A 42 10.948 4.579 5.148 1.00 0.48 H new ATOM 0 HA2 GLY A 42 12.124 7.098 4.260 1.00 0.65 H new ATOM 0 HA3 GLY A 42 12.212 5.762 3.129 1.00 0.65 H new ATOM 716 N GLU A 43 10.013 7.412 2.725 1.00 0.51 N ATOM 717 CA GLU A 43 8.699 7.707 2.156 1.00 0.43 C ATOM 718 C GLU A 43 8.675 7.477 0.651 1.00 0.44 C ATOM 719 O GLU A 43 7.639 7.137 0.081 1.00 0.40 O ATOM 720 CB GLU A 43 8.349 9.152 2.480 1.00 0.57 C ATOM 721 CG GLU A 43 9.346 10.158 1.881 1.00 1.03 C ATOM 722 CD GLU A 43 10.035 10.985 2.959 1.00 2.00 C ATOM 723 OE1 GLU A 43 9.312 11.553 3.802 1.00 3.04 O ATOM 724 OE2 GLU A 43 11.284 11.012 2.922 1.00 3.13 O ATOM 0 H GLU A 43 10.750 8.045 2.416 1.00 0.51 H new ATOM 0 HA GLU A 43 7.962 7.033 2.592 1.00 0.43 H new ATOM 0 HB2 GLU A 43 7.349 9.371 2.105 1.00 0.57 H new ATOM 0 HB3 GLU A 43 8.318 9.279 3.562 1.00 0.57 H new ATOM 0 HG2 GLU A 43 10.096 9.623 1.299 1.00 1.03 H new ATOM 0 HG3 GLU A 43 8.823 10.822 1.193 1.00 1.03 H new ATOM 731 N GLU A 44 9.823 7.646 -0.007 1.00 0.53 N ATOM 732 CA GLU A 44 9.864 7.476 -1.453 1.00 0.61 C ATOM 733 C GLU A 44 9.727 6.013 -1.772 1.00 0.59 C ATOM 734 O GLU A 44 8.992 5.680 -2.686 1.00 0.64 O ATOM 735 CB GLU A 44 11.167 7.958 -2.060 1.00 0.74 C ATOM 736 CG GLU A 44 11.138 7.841 -3.596 1.00 1.35 C ATOM 737 CD GLU A 44 12.507 7.404 -4.107 1.00 2.33 C ATOM 738 OE1 GLU A 44 13.470 8.156 -3.847 1.00 2.61 O ATOM 739 OE2 GLU A 44 12.577 6.310 -4.705 1.00 3.81 O ATOM 0 H GLU A 44 10.712 7.894 0.427 1.00 0.53 H new ATOM 0 HA GLU A 44 9.050 8.068 -1.871 1.00 0.61 H new ATOM 0 HB2 GLU A 44 11.344 8.995 -1.774 1.00 0.74 H new ATOM 0 HB3 GLU A 44 11.996 7.372 -1.663 1.00 0.74 H new ATOM 0 HG2 GLU A 44 10.379 7.120 -3.901 1.00 1.35 H new ATOM 0 HG3 GLU A 44 10.864 8.799 -4.038 1.00 1.35 H new ATOM 746 N VAL A 45 10.317 5.125 -0.974 1.00 0.57 N ATOM 747 CA VAL A 45 10.012 3.715 -1.164 1.00 0.60 C ATOM 748 C VAL A 45 8.508 3.430 -1.157 1.00 0.59 C ATOM 749 O VAL A 45 8.059 2.398 -1.631 1.00 0.92 O ATOM 750 CB VAL A 45 10.734 2.911 -0.081 1.00 0.62 C ATOM 751 CG1 VAL A 45 12.210 2.732 -0.461 1.00 1.03 C ATOM 752 CG2 VAL A 45 10.571 3.523 1.327 1.00 0.99 C ATOM 0 H VAL A 45 10.976 5.343 -0.227 1.00 0.57 H new ATOM 0 HA VAL A 45 10.364 3.414 -2.151 1.00 0.60 H new ATOM 0 HB VAL A 45 10.265 1.928 -0.028 1.00 0.62 H new ATOM 0 HG11 VAL A 45 12.718 2.159 0.314 1.00 1.03 H new ATOM 0 HG12 VAL A 45 12.279 2.200 -1.410 1.00 1.03 H new ATOM 0 HG13 VAL A 45 12.682 3.710 -0.558 1.00 1.03 H new ATOM 0 HG21 VAL A 45 11.104 2.910 2.054 1.00 0.99 H new ATOM 0 HG22 VAL A 45 10.980 4.533 1.334 1.00 0.99 H new ATOM 0 HG23 VAL A 45 9.513 3.558 1.588 1.00 0.99 H new ATOM 762 N LEU A 46 7.688 4.339 -0.634 1.00 0.41 N ATOM 763 CA LEU A 46 6.253 4.012 -0.627 1.00 0.38 C ATOM 764 C LEU A 46 5.568 4.665 -1.830 1.00 0.36 C ATOM 765 O LEU A 46 4.488 4.255 -2.253 1.00 0.46 O ATOM 766 CB LEU A 46 5.633 4.425 0.703 1.00 0.48 C ATOM 767 CG LEU A 46 6.407 4.003 1.968 1.00 0.56 C ATOM 768 CD1 LEU A 46 5.466 3.807 3.157 1.00 0.90 C ATOM 769 CD2 LEU A 46 7.224 2.716 1.837 1.00 0.63 C ATOM 0 H LEU A 46 7.955 5.240 -0.237 1.00 0.41 H new ATOM 0 HA LEU A 46 6.112 2.935 -0.723 1.00 0.38 H new ATOM 0 HB2 LEU A 46 5.527 5.510 0.711 1.00 0.48 H new ATOM 0 HB3 LEU A 46 4.628 4.006 0.759 1.00 0.48 H new ATOM 0 HG LEU A 46 7.101 4.830 2.121 1.00 0.56 H new ATOM 0 HD11 LEU A 46 6.043 3.510 4.033 1.00 0.90 H new ATOM 0 HD12 LEU A 46 4.944 4.741 3.366 1.00 0.90 H new ATOM 0 HD13 LEU A 46 4.739 3.030 2.921 1.00 0.90 H new ATOM 0 HD21 LEU A 46 7.729 2.508 2.780 1.00 0.63 H new ATOM 0 HD22 LEU A 46 6.560 1.887 1.590 1.00 0.63 H new ATOM 0 HD23 LEU A 46 7.965 2.835 1.047 1.00 0.63 H new ATOM 781 N ARG A 47 6.224 5.672 -2.408 1.00 0.35 N ATOM 782 CA ARG A 47 5.767 6.419 -3.562 1.00 0.44 C ATOM 783 C ARG A 47 6.162 5.749 -4.883 1.00 0.49 C ATOM 784 O ARG A 47 5.389 5.764 -5.832 1.00 0.65 O ATOM 785 CB ARG A 47 6.332 7.838 -3.494 1.00 0.58 C ATOM 786 CG ARG A 47 5.196 8.833 -3.726 1.00 1.14 C ATOM 787 CD ARG A 47 5.742 10.258 -3.632 1.00 1.65 C ATOM 788 NE ARG A 47 5.694 10.767 -2.251 1.00 3.79 N ATOM 789 CZ ARG A 47 6.357 11.839 -1.799 1.00 5.07 C ATOM 790 NH1 ARG A 47 7.168 12.512 -2.617 1.00 4.71 N ATOM 791 NH2 ARG A 47 6.206 12.242 -0.537 1.00 7.16 N ATOM 0 H ARG A 47 7.127 5.997 -2.063 1.00 0.35 H new ATOM 0 HA ARG A 47 4.678 6.447 -3.538 1.00 0.44 H new ATOM 0 HB2 ARG A 47 6.795 8.014 -2.523 1.00 0.58 H new ATOM 0 HB3 ARG A 47 7.109 7.971 -4.246 1.00 0.58 H new ATOM 0 HG2 ARG A 47 4.747 8.668 -4.705 1.00 1.14 H new ATOM 0 HG3 ARG A 47 4.410 8.683 -2.986 1.00 1.14 H new ATOM 0 HD2 ARG A 47 6.770 10.279 -3.992 1.00 1.65 H new ATOM 0 HD3 ARG A 47 5.163 10.914 -4.282 1.00 1.65 H new ATOM 0 HE ARG A 47 5.109 10.262 -1.585 1.00 3.79 H new ATOM 0 HH11 ARG A 47 7.282 12.210 -3.584 1.00 4.71 H new ATOM 0 HH12 ARG A 47 7.674 13.329 -2.275 1.00 4.71 H new ATOM 0 HH21 ARG A 47 5.583 11.733 0.090 1.00 7.16 H new ATOM 0 HH22 ARG A 47 6.714 13.059 -0.198 1.00 7.16 H new ATOM 805 N GLU A 48 7.346 5.148 -4.953 1.00 0.51 N ATOM 806 CA GLU A 48 7.869 4.453 -6.127 1.00 0.62 C ATOM 807 C GLU A 48 7.026 3.202 -6.381 1.00 0.57 C ATOM 808 O GLU A 48 6.846 2.766 -7.513 1.00 0.81 O ATOM 809 CB GLU A 48 9.359 4.119 -5.883 1.00 0.74 C ATOM 810 CG GLU A 48 10.300 4.772 -6.897 1.00 0.97 C ATOM 811 CD GLU A 48 10.447 3.911 -8.151 1.00 1.88 C ATOM 812 OE1 GLU A 48 9.441 3.797 -8.882 1.00 3.45 O ATOM 813 OE2 GLU A 48 11.553 3.365 -8.360 1.00 1.87 O ATOM 0 H GLU A 48 7.993 5.130 -4.164 1.00 0.51 H new ATOM 0 HA GLU A 48 7.808 5.078 -7.018 1.00 0.62 H new ATOM 0 HB2 GLU A 48 9.637 4.442 -4.880 1.00 0.74 H new ATOM 0 HB3 GLU A 48 9.492 3.038 -5.918 1.00 0.74 H new ATOM 0 HG2 GLU A 48 9.917 5.755 -7.171 1.00 0.97 H new ATOM 0 HG3 GLU A 48 11.278 4.926 -6.442 1.00 0.97 H new ATOM 820 N GLN A 49 6.429 2.644 -5.328 1.00 0.39 N ATOM 821 CA GLN A 49 5.567 1.484 -5.430 1.00 0.40 C ATOM 822 C GLN A 49 4.105 1.895 -5.356 1.00 0.38 C ATOM 823 O GLN A 49 3.214 1.048 -5.377 1.00 0.37 O ATOM 824 CB GLN A 49 5.895 0.548 -4.278 1.00 0.52 C ATOM 825 CG GLN A 49 7.225 -0.179 -4.464 1.00 0.44 C ATOM 826 CD GLN A 49 8.439 0.683 -4.798 1.00 2.10 C ATOM 827 OE1 GLN A 49 8.770 1.627 -4.102 1.00 4.17 O ATOM 828 NE2 GLN A 49 9.162 0.355 -5.859 1.00 1.87 N ATOM 0 H GLN A 49 6.536 2.993 -4.376 1.00 0.39 H new ATOM 0 HA GLN A 49 5.731 0.988 -6.386 1.00 0.40 H new ATOM 0 HB2 GLN A 49 5.925 1.119 -3.350 1.00 0.52 H new ATOM 0 HB3 GLN A 49 5.096 -0.187 -4.175 1.00 0.52 H new ATOM 0 HG2 GLN A 49 7.441 -0.731 -3.549 1.00 0.44 H new ATOM 0 HG3 GLN A 49 7.102 -0.915 -5.259 1.00 0.44 H new ATOM 0 HE21 GLN A 49 8.884 -0.435 -6.441 1.00 1.87 H new ATOM 0 HE22 GLN A 49 9.996 0.893 -6.094 1.00 1.87 H new ATOM 837 N ALA A 50 3.847 3.192 -5.229 1.00 0.39 N ATOM 838 CA ALA A 50 2.506 3.708 -5.128 1.00 0.40 C ATOM 839 C ALA A 50 1.651 3.223 -6.292 1.00 0.37 C ATOM 840 O ALA A 50 2.115 3.166 -7.428 1.00 0.43 O ATOM 841 CB ALA A 50 2.555 5.219 -5.146 1.00 0.48 C ATOM 0 H ALA A 50 4.571 3.909 -5.194 1.00 0.39 H new ATOM 0 HA ALA A 50 2.064 3.353 -4.197 1.00 0.40 H new ATOM 0 HB1 ALA A 50 1.543 5.617 -5.070 1.00 0.48 H new ATOM 0 HB2 ALA A 50 3.149 5.574 -4.304 1.00 0.48 H new ATOM 0 HB3 ALA A 50 3.009 5.557 -6.078 1.00 0.48 H new ATOM 847 N GLY A 51 0.388 2.904 -6.020 1.00 0.33 N ATOM 848 CA GLY A 51 -0.519 2.352 -7.008 1.00 0.35 C ATOM 849 C GLY A 51 0.079 1.130 -7.704 1.00 0.37 C ATOM 850 O GLY A 51 -0.258 0.848 -8.853 1.00 0.46 O ATOM 0 H GLY A 51 -0.033 3.024 -5.099 1.00 0.33 H new ATOM 0 HA2 GLY A 51 -1.456 2.074 -6.526 1.00 0.35 H new ATOM 0 HA3 GLY A 51 -0.756 3.114 -7.750 1.00 0.35 H new ATOM 854 N GLY A 52 0.977 0.416 -7.026 1.00 0.37 N ATOM 855 CA GLY A 52 1.756 -0.654 -7.601 1.00 0.43 C ATOM 856 C GLY A 52 2.022 -1.708 -6.543 1.00 0.42 C ATOM 857 O GLY A 52 1.644 -1.556 -5.381 1.00 0.44 O ATOM 0 H GLY A 52 1.180 0.578 -6.040 1.00 0.37 H new ATOM 0 HA2 GLY A 52 1.223 -1.095 -8.443 1.00 0.43 H new ATOM 0 HA3 GLY A 52 2.698 -0.266 -7.988 1.00 0.43 H new ATOM 861 N ASP A 53 2.651 -2.801 -6.960 1.00 0.44 N ATOM 862 CA ASP A 53 2.985 -3.883 -6.056 1.00 0.49 C ATOM 863 C ASP A 53 4.197 -3.412 -5.270 1.00 0.58 C ATOM 864 O ASP A 53 5.237 -3.091 -5.840 1.00 1.09 O ATOM 865 CB ASP A 53 3.274 -5.179 -6.829 1.00 0.64 C ATOM 866 CG ASP A 53 2.282 -6.288 -6.484 1.00 1.69 C ATOM 867 OD1 ASP A 53 2.138 -6.573 -5.267 1.00 3.11 O ATOM 868 OD2 ASP A 53 1.683 -6.838 -7.434 1.00 2.67 O ATOM 0 H ASP A 53 2.939 -2.957 -7.926 1.00 0.44 H new ATOM 0 HA ASP A 53 2.157 -4.117 -5.387 1.00 0.49 H new ATOM 0 HB2 ASP A 53 3.235 -4.978 -7.900 1.00 0.64 H new ATOM 0 HB3 ASP A 53 4.286 -5.516 -6.605 1.00 0.64 H new ATOM 873 N ALA A 54 4.031 -3.289 -3.956 1.00 0.42 N ATOM 874 CA ALA A 54 5.140 -2.985 -3.071 1.00 0.44 C ATOM 875 C ALA A 54 5.571 -4.250 -2.349 1.00 0.48 C ATOM 876 O ALA A 54 6.510 -4.206 -1.566 1.00 0.51 O ATOM 877 CB ALA A 54 4.736 -1.886 -2.082 1.00 0.44 C ATOM 0 H ALA A 54 3.133 -3.397 -3.484 1.00 0.42 H new ATOM 0 HA ALA A 54 5.985 -2.615 -3.651 1.00 0.44 H new ATOM 0 HB1 ALA A 54 5.575 -1.664 -1.422 1.00 0.44 H new ATOM 0 HB2 ALA A 54 4.459 -0.986 -2.631 1.00 0.44 H new ATOM 0 HB3 ALA A 54 3.887 -2.225 -1.489 1.00 0.44 H new ATOM 883 N THR A 55 4.876 -5.370 -2.554 1.00 0.55 N ATOM 884 CA THR A 55 5.143 -6.617 -1.877 1.00 0.67 C ATOM 885 C THR A 55 6.570 -7.064 -2.138 1.00 0.74 C ATOM 886 O THR A 55 7.196 -7.575 -1.220 1.00 0.80 O ATOM 887 CB THR A 55 4.138 -7.655 -2.386 1.00 0.78 C ATOM 888 OG1 THR A 55 2.819 -7.127 -2.454 1.00 1.11 O ATOM 889 CG2 THR A 55 4.132 -8.871 -1.469 1.00 0.96 C ATOM 0 H THR A 55 4.098 -5.425 -3.211 1.00 0.55 H new ATOM 0 HA THR A 55 5.033 -6.497 -0.799 1.00 0.67 H new ATOM 0 HB THR A 55 4.450 -7.939 -3.391 1.00 0.78 H new ATOM 0 HG1 THR A 55 2.589 -6.940 -3.388 1.00 1.11 H new ATOM 0 HG21 THR A 55 3.414 -9.603 -1.840 1.00 0.96 H new ATOM 0 HG22 THR A 55 5.127 -9.316 -1.449 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.851 -8.565 -0.461 1.00 0.96 H new ATOM 897 N GLU A 56 7.109 -6.830 -3.338 1.00 0.81 N ATOM 898 CA GLU A 56 8.494 -7.177 -3.629 1.00 0.94 C ATOM 899 C GLU A 56 9.422 -6.565 -2.591 1.00 0.81 C ATOM 900 O GLU A 56 10.344 -7.219 -2.116 1.00 0.95 O ATOM 901 CB GLU A 56 8.863 -6.662 -5.023 1.00 1.17 C ATOM 902 CG GLU A 56 8.193 -7.515 -6.110 1.00 1.52 C ATOM 903 CD GLU A 56 7.364 -6.654 -7.049 1.00 2.80 C ATOM 904 OE1 GLU A 56 6.536 -5.910 -6.489 1.00 4.19 O ATOM 905 OE2 GLU A 56 7.556 -6.764 -8.281 1.00 3.46 O ATOM 0 H GLU A 56 6.607 -6.404 -4.117 1.00 0.81 H new ATOM 0 HA GLU A 56 8.604 -8.261 -3.598 1.00 0.94 H new ATOM 0 HB2 GLU A 56 8.552 -5.622 -5.126 1.00 1.17 H new ATOM 0 HB3 GLU A 56 9.945 -6.686 -5.150 1.00 1.17 H new ATOM 0 HG2 GLU A 56 8.955 -8.049 -6.678 1.00 1.52 H new ATOM 0 HG3 GLU A 56 7.556 -8.268 -5.645 1.00 1.52 H new ATOM 912 N ASN A 57 9.151 -5.321 -2.206 1.00 0.70 N ATOM 913 CA ASN A 57 9.947 -4.601 -1.246 1.00 0.64 C ATOM 914 C ASN A 57 9.606 -5.127 0.125 1.00 0.51 C ATOM 915 O ASN A 57 10.490 -5.529 0.853 1.00 0.51 O ATOM 916 CB ASN A 57 9.645 -3.102 -1.268 1.00 0.68 C ATOM 917 CG ASN A 57 9.392 -2.532 -2.658 1.00 1.33 C ATOM 918 OD1 ASN A 57 8.470 -2.934 -3.353 1.00 2.82 O ATOM 919 ND2 ASN A 57 10.182 -1.559 -3.079 1.00 1.76 N ATOM 0 H ASN A 57 8.359 -4.787 -2.564 1.00 0.70 H new ATOM 0 HA ASN A 57 10.999 -4.742 -1.492 1.00 0.64 H new ATOM 0 HB2 ASN A 57 8.771 -2.911 -0.645 1.00 0.68 H new ATOM 0 HB3 ASN A 57 10.481 -2.568 -0.816 1.00 0.68 H new ATOM 0 HD21 ASN A 57 10.026 -1.135 -3.993 1.00 1.76 H new ATOM 0 HD22 ASN A 57 10.948 -1.233 -2.489 1.00 1.76 H new ATOM 926 N PHE A 58 8.326 -5.116 0.490 1.00 0.46 N ATOM 927 CA PHE A 58 7.904 -5.578 1.827 1.00 0.43 C ATOM 928 C PHE A 58 8.556 -6.910 2.235 1.00 0.47 C ATOM 929 O PHE A 58 8.950 -7.085 3.391 1.00 0.44 O ATOM 930 CB PHE A 58 6.379 -5.715 1.826 1.00 0.59 C ATOM 931 CG PHE A 58 5.655 -5.352 3.109 1.00 0.72 C ATOM 932 CD1 PHE A 58 5.967 -4.160 3.784 1.00 1.89 C ATOM 933 CD2 PHE A 58 4.596 -6.150 3.580 1.00 1.79 C ATOM 934 CE1 PHE A 58 5.313 -3.836 4.982 1.00 2.28 C ATOM 935 CE2 PHE A 58 3.872 -5.765 4.722 1.00 2.10 C ATOM 936 CZ PHE A 58 4.255 -4.626 5.449 1.00 1.83 C ATOM 0 H PHE A 58 7.564 -4.797 -0.108 1.00 0.46 H new ATOM 0 HA PHE A 58 8.232 -4.842 2.561 1.00 0.43 H new ATOM 0 HB2 PHE A 58 5.983 -5.091 1.025 1.00 0.59 H new ATOM 0 HB3 PHE A 58 6.132 -6.747 1.577 1.00 0.59 H new ATOM 0 HD1 PHE A 58 6.712 -3.491 3.379 1.00 1.89 H new ATOM 0 HD2 PHE A 58 4.338 -7.062 3.062 1.00 1.79 H new ATOM 0 HE1 PHE A 58 5.627 -2.972 5.548 1.00 2.28 H new ATOM 0 HE2 PHE A 58 3.020 -6.346 5.041 1.00 2.10 H new ATOM 0 HZ PHE A 58 3.738 -4.362 6.360 1.00 1.83 H new ATOM 946 N GLU A 59 8.680 -7.825 1.273 1.00 0.63 N ATOM 947 CA GLU A 59 9.269 -9.143 1.442 1.00 0.79 C ATOM 948 C GLU A 59 10.788 -9.068 1.481 1.00 0.79 C ATOM 949 O GLU A 59 11.378 -9.594 2.417 1.00 0.84 O ATOM 950 CB GLU A 59 8.846 -10.061 0.286 1.00 1.09 C ATOM 951 CG GLU A 59 7.747 -11.024 0.731 1.00 1.35 C ATOM 952 CD GLU A 59 8.313 -12.119 1.637 1.00 1.61 C ATOM 953 OE1 GLU A 59 9.035 -12.988 1.102 1.00 2.83 O ATOM 954 OE2 GLU A 59 7.995 -12.074 2.847 1.00 1.99 O ATOM 0 H GLU A 59 8.359 -7.656 0.320 1.00 0.63 H new ATOM 0 HA GLU A 59 8.912 -9.546 2.390 1.00 0.79 H new ATOM 0 HB2 GLU A 59 8.491 -9.459 -0.551 1.00 1.09 H new ATOM 0 HB3 GLU A 59 9.708 -10.625 -0.070 1.00 1.09 H new ATOM 0 HG2 GLU A 59 6.969 -10.474 1.261 1.00 1.35 H new ATOM 0 HG3 GLU A 59 7.278 -11.476 -0.143 1.00 1.35 H new ATOM 961 N ASP A 60 11.419 -8.424 0.490 1.00 0.81 N ATOM 962 CA ASP A 60 12.879 -8.271 0.438 1.00 0.94 C ATOM 963 C ASP A 60 13.369 -7.698 1.765 1.00 0.85 C ATOM 964 O ASP A 60 14.370 -8.120 2.339 1.00 1.07 O ATOM 965 CB ASP A 60 13.251 -7.317 -0.710 1.00 1.00 C ATOM 966 CG ASP A 60 14.731 -7.336 -1.097 1.00 1.90 C ATOM 967 OD1 ASP A 60 15.539 -7.934 -0.359 1.00 2.87 O ATOM 968 OD2 ASP A 60 15.035 -6.758 -2.163 1.00 2.59 O ATOM 0 H ASP A 60 10.932 -7.995 -0.297 1.00 0.81 H new ATOM 0 HA ASP A 60 13.348 -9.240 0.266 1.00 0.94 H new ATOM 0 HB2 ASP A 60 12.656 -7.574 -1.586 1.00 1.00 H new ATOM 0 HB3 ASP A 60 12.976 -6.301 -0.425 1.00 1.00 H new ATOM 973 N VAL A 61 12.585 -6.754 2.284 1.00 0.63 N ATOM 974 CA VAL A 61 12.862 -6.090 3.528 1.00 0.80 C ATOM 975 C VAL A 61 12.840 -7.138 4.632 1.00 0.59 C ATOM 976 O VAL A 61 13.740 -7.200 5.467 1.00 0.79 O ATOM 977 CB VAL A 61 11.900 -4.933 3.821 1.00 1.04 C ATOM 978 CG1 VAL A 61 12.155 -4.313 5.210 1.00 1.81 C ATOM 979 CG2 VAL A 61 12.070 -3.811 2.788 1.00 1.94 C ATOM 0 H VAL A 61 11.728 -6.434 1.833 1.00 0.63 H new ATOM 0 HA VAL A 61 13.845 -5.624 3.468 1.00 0.80 H new ATOM 0 HB VAL A 61 10.895 -5.354 3.781 1.00 1.04 H new ATOM 0 HG11 VAL A 61 11.453 -3.497 5.379 1.00 1.81 H new ATOM 0 HG12 VAL A 61 12.019 -5.074 5.979 1.00 1.81 H new ATOM 0 HG13 VAL A 61 13.174 -3.930 5.256 1.00 1.81 H new ATOM 0 HG21 VAL A 61 11.378 -3.000 3.015 1.00 1.94 H new ATOM 0 HG22 VAL A 61 13.093 -3.436 2.823 1.00 1.94 H new ATOM 0 HG23 VAL A 61 11.860 -4.199 1.791 1.00 1.94 H new ATOM 989 N GLY A 62 11.774 -7.943 4.647 1.00 0.44 N ATOM 990 CA GLY A 62 11.649 -9.010 5.620 1.00 0.66 C ATOM 991 C GLY A 62 10.968 -8.468 6.869 1.00 0.79 C ATOM 992 O GLY A 62 11.348 -8.841 7.976 1.00 1.74 O ATOM 0 H GLY A 62 10.993 -7.870 3.996 1.00 0.44 H new ATOM 0 HA2 GLY A 62 11.069 -9.833 5.203 1.00 0.66 H new ATOM 0 HA3 GLY A 62 12.632 -9.408 5.870 1.00 0.66 H new ATOM 996 N HIS A 63 10.013 -7.542 6.676 1.00 0.44 N ATOM 997 CA HIS A 63 9.436 -6.681 7.706 1.00 0.46 C ATOM 998 C HIS A 63 9.077 -7.408 8.999 1.00 0.63 C ATOM 999 O HIS A 63 8.733 -8.589 9.003 1.00 1.28 O ATOM 1000 CB HIS A 63 8.166 -5.986 7.179 1.00 0.47 C ATOM 1001 CG HIS A 63 8.381 -4.667 6.487 1.00 0.40 C ATOM 1002 ND1 HIS A 63 8.777 -4.527 5.188 1.00 0.39 N ATOM 1003 CD2 HIS A 63 8.135 -3.417 6.998 1.00 0.40 C ATOM 1004 CE1 HIS A 63 8.797 -3.211 4.911 1.00 0.38 C ATOM 1005 NE2 HIS A 63 8.400 -2.492 5.978 1.00 0.36 N ATOM 0 H HIS A 63 9.609 -7.371 5.755 1.00 0.44 H new ATOM 0 HA HIS A 63 10.218 -5.958 7.941 1.00 0.46 H new ATOM 0 HB2 HIS A 63 7.666 -6.662 6.485 1.00 0.47 H new ATOM 0 HB3 HIS A 63 7.486 -5.829 8.017 1.00 0.47 H new ATOM 0 HD1 HIS A 63 9.014 -5.282 4.545 1.00 0.39 H new ATOM 0 HD2 HIS A 63 7.800 -3.189 7.999 1.00 0.40 H new ATOM 0 HE1 HIS A 63 9.091 -2.788 3.962 1.00 0.38 H new ATOM 1013 N SER A 64 9.064 -6.643 10.094 1.00 0.43 N ATOM 1014 CA SER A 64 8.605 -7.116 11.386 1.00 0.53 C ATOM 1015 C SER A 64 7.090 -7.328 11.414 1.00 0.53 C ATOM 1016 O SER A 64 6.348 -6.840 10.561 1.00 0.50 O ATOM 1017 CB SER A 64 8.980 -6.076 12.436 1.00 0.70 C ATOM 1018 OG SER A 64 10.366 -5.841 12.399 1.00 1.66 O ATOM 0 H SER A 64 9.376 -5.672 10.100 1.00 0.43 H new ATOM 0 HA SER A 64 9.078 -8.077 11.589 1.00 0.53 H new ATOM 0 HB2 SER A 64 8.439 -5.148 12.251 1.00 0.70 H new ATOM 0 HB3 SER A 64 8.687 -6.424 13.427 1.00 0.70 H new ATOM 0 HG SER A 64 10.602 -5.171 13.074 1.00 1.66 H new ATOM 1024 N THR A 65 6.614 -8.003 12.458 1.00 0.66 N ATOM 1025 CA THR A 65 5.209 -8.306 12.623 1.00 0.77 C ATOM 1026 C THR A 65 4.423 -7.063 13.029 1.00 0.75 C ATOM 1027 O THR A 65 3.332 -6.840 12.519 1.00 0.78 O ATOM 1028 CB THR A 65 5.109 -9.409 13.674 1.00 0.97 C ATOM 1029 OG1 THR A 65 5.734 -10.556 13.141 1.00 1.09 O ATOM 1030 CG2 THR A 65 3.666 -9.727 14.039 1.00 1.09 C ATOM 0 H THR A 65 7.203 -8.354 13.214 1.00 0.66 H new ATOM 0 HA THR A 65 4.772 -8.643 11.683 1.00 0.77 H new ATOM 0 HB THR A 65 5.597 -9.077 14.591 1.00 0.97 H new ATOM 0 HG1 THR A 65 5.689 -11.286 13.793 1.00 1.09 H new ATOM 0 HG21 THR A 65 3.646 -10.517 14.790 1.00 1.09 H new ATOM 0 HG22 THR A 65 3.187 -8.834 14.440 1.00 1.09 H new ATOM 0 HG23 THR A 65 3.130 -10.058 13.149 1.00 1.09 H new ATOM 1038 N ASP A 66 4.978 -6.214 13.894 1.00 0.79 N ATOM 1039 CA ASP A 66 4.311 -4.970 14.294 1.00 0.89 C ATOM 1040 C ASP A 66 3.989 -4.130 13.049 1.00 0.77 C ATOM 1041 O ASP A 66 2.956 -3.477 12.924 1.00 0.84 O ATOM 1042 CB ASP A 66 5.248 -4.182 15.228 1.00 1.04 C ATOM 1043 CG ASP A 66 4.569 -3.723 16.515 1.00 1.67 C ATOM 1044 OD1 ASP A 66 3.338 -3.516 16.482 1.00 3.14 O ATOM 1045 OD2 ASP A 66 5.305 -3.588 17.517 1.00 1.98 O ATOM 0 H ASP A 66 5.887 -6.363 14.332 1.00 0.79 H new ATOM 0 HA ASP A 66 3.381 -5.200 14.814 1.00 0.89 H new ATOM 0 HB2 ASP A 66 6.106 -4.805 15.480 1.00 1.04 H new ATOM 0 HB3 ASP A 66 5.631 -3.311 14.697 1.00 1.04 H new ATOM 1050 N ALA A 67 4.890 -4.206 12.070 1.00 0.60 N ATOM 1051 CA ALA A 67 4.787 -3.536 10.792 1.00 0.47 C ATOM 1052 C ALA A 67 3.623 -4.194 10.005 1.00 0.44 C ATOM 1053 O ALA A 67 2.769 -3.520 9.430 1.00 0.52 O ATOM 1054 CB ALA A 67 6.211 -3.626 10.146 1.00 0.53 C ATOM 0 H ALA A 67 5.742 -4.760 12.158 1.00 0.60 H new ATOM 0 HA ALA A 67 4.529 -2.478 10.833 1.00 0.47 H new ATOM 0 HB1 ALA A 67 6.201 -3.136 9.173 1.00 0.53 H new ATOM 0 HB2 ALA A 67 6.936 -3.133 10.793 1.00 0.53 H new ATOM 0 HB3 ALA A 67 6.489 -4.673 10.022 1.00 0.53 H new ATOM 1060 N ARG A 68 3.489 -5.522 10.048 1.00 0.45 N ATOM 1061 CA ARG A 68 2.379 -6.201 9.383 1.00 0.52 C ATOM 1062 C ARG A 68 1.022 -5.820 10.028 1.00 0.64 C ATOM 1063 O ARG A 68 -0.020 -6.105 9.444 1.00 0.78 O ATOM 1064 CB ARG A 68 2.541 -7.722 9.505 1.00 0.66 C ATOM 1065 CG ARG A 68 3.761 -8.225 8.734 1.00 1.44 C ATOM 1066 CD ARG A 68 3.453 -8.262 7.240 1.00 2.43 C ATOM 1067 NE ARG A 68 4.080 -9.425 6.600 1.00 3.00 N ATOM 1068 CZ ARG A 68 3.714 -9.952 5.427 1.00 3.98 C ATOM 1069 NH1 ARG A 68 2.716 -9.404 4.734 1.00 5.18 N ATOM 1070 NH2 ARG A 68 4.347 -11.027 4.958 1.00 4.53 N ATOM 0 H ARG A 68 4.134 -6.145 10.535 1.00 0.45 H new ATOM 0 HA ARG A 68 2.390 -5.892 8.338 1.00 0.52 H new ATOM 0 HB2 ARG A 68 2.637 -7.994 10.556 1.00 0.66 H new ATOM 0 HB3 ARG A 68 1.644 -8.215 9.129 1.00 0.66 H new ATOM 0 HG2 ARG A 68 4.615 -7.574 8.922 1.00 1.44 H new ATOM 0 HG3 ARG A 68 4.037 -9.220 9.082 1.00 1.44 H new ATOM 0 HD2 ARG A 68 2.374 -8.297 7.089 1.00 2.43 H new ATOM 0 HD3 ARG A 68 3.811 -7.347 6.769 1.00 2.43 H new ATOM 0 HE ARG A 68 4.858 -9.867 7.090 1.00 3.00 H new ATOM 0 HH11 ARG A 68 2.232 -8.583 5.099 1.00 5.18 H new ATOM 0 HH12 ARG A 68 2.436 -9.805 3.839 1.00 5.18 H new ATOM 0 HH21 ARG A 68 5.108 -11.445 5.494 1.00 4.53 H new ATOM 0 HH22 ARG A 68 4.071 -11.432 4.064 1.00 4.53 H new ATOM 1084 N GLU A 69 1.010 -5.234 11.236 1.00 0.66 N ATOM 1085 CA GLU A 69 -0.203 -4.833 11.955 1.00 0.79 C ATOM 1086 C GLU A 69 -0.601 -3.406 11.631 1.00 0.68 C ATOM 1087 O GLU A 69 -1.777 -3.144 11.402 1.00 0.69 O ATOM 1088 CB GLU A 69 -0.008 -4.912 13.476 1.00 1.01 C ATOM 1089 CG GLU A 69 -0.420 -6.277 14.028 1.00 1.27 C ATOM 1090 CD GLU A 69 -1.412 -6.140 15.186 1.00 1.72 C ATOM 1091 OE1 GLU A 69 -2.529 -5.638 14.919 1.00 3.04 O ATOM 1092 OE2 GLU A 69 -1.060 -6.567 16.307 1.00 2.11 O ATOM 0 H GLU A 69 1.866 -5.022 11.749 1.00 0.66 H new ATOM 0 HA GLU A 69 -0.981 -5.525 11.633 1.00 0.79 H new ATOM 0 HB2 GLU A 69 1.037 -4.721 13.719 1.00 1.01 H new ATOM 0 HB3 GLU A 69 -0.595 -4.131 13.959 1.00 1.01 H new ATOM 0 HG2 GLU A 69 -0.869 -6.872 13.232 1.00 1.27 H new ATOM 0 HG3 GLU A 69 0.465 -6.815 14.368 1.00 1.27 H new ATOM 1099 N LEU A 70 0.348 -2.469 11.583 1.00 0.64 N ATOM 1100 CA LEU A 70 0.052 -1.119 11.160 1.00 0.66 C ATOM 1101 C LEU A 70 -0.617 -1.166 9.800 1.00 0.57 C ATOM 1102 O LEU A 70 -1.549 -0.410 9.550 1.00 0.64 O ATOM 1103 CB LEU A 70 1.363 -0.352 11.066 1.00 0.80 C ATOM 1104 CG LEU A 70 1.916 0.054 12.424 1.00 0.88 C ATOM 1105 CD1 LEU A 70 3.440 -0.073 12.411 1.00 2.15 C ATOM 1106 CD2 LEU A 70 1.524 1.492 12.732 1.00 1.03 C ATOM 0 H LEU A 70 1.324 -2.630 11.833 1.00 0.64 H new ATOM 0 HA LEU A 70 -0.614 -0.628 11.870 1.00 0.66 H new ATOM 0 HB2 LEU A 70 2.100 -0.966 10.549 1.00 0.80 H new ATOM 0 HB3 LEU A 70 1.212 0.541 10.460 1.00 0.80 H new ATOM 0 HG LEU A 70 1.503 -0.600 13.192 1.00 0.88 H new ATOM 0 HD11 LEU A 70 3.838 0.218 13.383 1.00 2.15 H new ATOM 0 HD12 LEU A 70 3.717 -1.106 12.199 1.00 2.15 H new ATOM 0 HD13 LEU A 70 3.853 0.579 11.641 1.00 2.15 H new ATOM 0 HD21 LEU A 70 1.923 1.777 13.706 1.00 1.03 H new ATOM 0 HD22 LEU A 70 1.931 2.152 11.966 1.00 1.03 H new ATOM 0 HD23 LEU A 70 0.437 1.578 12.746 1.00 1.03 H new ATOM 1118 N SER A 71 -0.200 -2.096 8.933 1.00 0.51 N ATOM 1119 CA SER A 71 -0.903 -2.220 7.668 1.00 0.60 C ATOM 1120 C SER A 71 -2.409 -2.406 7.818 1.00 0.56 C ATOM 1121 O SER A 71 -3.203 -1.891 7.037 1.00 0.65 O ATOM 1122 CB SER A 71 -0.280 -3.311 6.814 1.00 0.77 C ATOM 1123 OG SER A 71 -0.903 -4.548 7.043 1.00 1.98 O ATOM 0 H SER A 71 0.579 -2.739 9.078 1.00 0.51 H new ATOM 0 HA SER A 71 -0.785 -1.266 7.154 1.00 0.60 H new ATOM 0 HB2 SER A 71 -0.366 -3.046 5.760 1.00 0.77 H new ATOM 0 HB3 SER A 71 0.784 -3.389 7.037 1.00 0.77 H new ATOM 0 HG SER A 71 -0.518 -4.965 7.842 1.00 1.98 H new ATOM 1129 N LYS A 72 -2.820 -3.132 8.844 1.00 0.55 N ATOM 1130 CA LYS A 72 -4.212 -3.436 9.104 1.00 0.65 C ATOM 1131 C LYS A 72 -5.039 -2.169 9.333 1.00 0.66 C ATOM 1132 O LYS A 72 -6.243 -2.191 9.105 1.00 0.83 O ATOM 1133 CB LYS A 72 -4.248 -4.386 10.305 1.00 0.80 C ATOM 1134 CG LYS A 72 -5.482 -5.282 10.271 1.00 1.02 C ATOM 1135 CD LYS A 72 -5.231 -6.530 11.124 1.00 2.03 C ATOM 1136 CE LYS A 72 -6.372 -7.520 10.885 1.00 2.42 C ATOM 1137 NZ LYS A 72 -7.328 -7.554 12.010 1.00 3.13 N ATOM 0 H LYS A 72 -2.181 -3.533 9.531 1.00 0.55 H new ATOM 0 HA LYS A 72 -4.668 -3.916 8.238 1.00 0.65 H new ATOM 0 HB2 LYS A 72 -3.349 -5.003 10.310 1.00 0.80 H new ATOM 0 HB3 LYS A 72 -4.242 -3.807 11.229 1.00 0.80 H new ATOM 0 HG2 LYS A 72 -6.349 -4.739 10.648 1.00 1.02 H new ATOM 0 HG3 LYS A 72 -5.707 -5.570 9.244 1.00 1.02 H new ATOM 0 HD2 LYS A 72 -4.275 -6.983 10.860 1.00 2.03 H new ATOM 0 HD3 LYS A 72 -5.177 -6.263 12.179 1.00 2.03 H new ATOM 0 HE2 LYS A 72 -6.900 -7.249 9.971 1.00 2.42 H new ATOM 0 HE3 LYS A 72 -5.959 -8.517 10.731 1.00 2.42 H new ATOM 0 HZ1 LYS A 72 -8.083 -8.238 11.803 1.00 3.13 H new ATOM 0 HZ2 LYS A 72 -6.832 -7.838 12.879 1.00 3.13 H new ATOM 0 HZ3 LYS A 72 -7.743 -6.610 12.141 1.00 3.13 H new ATOM 1151 N THR A 73 -4.408 -1.061 9.732 1.00 0.61 N ATOM 1152 CA THR A 73 -5.049 0.243 9.921 1.00 0.64 C ATOM 1153 C THR A 73 -4.868 1.160 8.701 1.00 0.57 C ATOM 1154 O THR A 73 -5.315 2.303 8.686 1.00 0.67 O ATOM 1155 CB THR A 73 -4.523 0.847 11.236 1.00 0.74 C ATOM 1156 OG1 THR A 73 -5.556 1.518 11.922 1.00 1.50 O ATOM 1157 CG2 THR A 73 -3.355 1.818 11.064 1.00 1.08 C ATOM 0 H THR A 73 -3.409 -1.046 9.938 1.00 0.61 H new ATOM 0 HA THR A 73 -6.129 0.124 10.004 1.00 0.64 H new ATOM 0 HB THR A 73 -4.155 -0.006 11.806 1.00 0.74 H new ATOM 0 HG1 THR A 73 -5.204 1.894 12.756 1.00 1.50 H new ATOM 0 HG21 THR A 73 -3.049 2.195 12.040 1.00 1.08 H new ATOM 0 HG22 THR A 73 -2.518 1.301 10.596 1.00 1.08 H new ATOM 0 HG23 THR A 73 -3.665 2.652 10.434 1.00 1.08 H new ATOM 1165 N PHE A 74 -4.204 0.652 7.668 1.00 0.50 N ATOM 1166 CA PHE A 74 -3.906 1.318 6.415 1.00 0.47 C ATOM 1167 C PHE A 74 -4.669 0.668 5.270 1.00 0.43 C ATOM 1168 O PHE A 74 -4.692 1.215 4.176 1.00 0.45 O ATOM 1169 CB PHE A 74 -2.396 1.239 6.156 1.00 0.51 C ATOM 1170 CG PHE A 74 -1.495 1.845 7.198 1.00 0.59 C ATOM 1171 CD1 PHE A 74 -1.978 2.834 8.070 1.00 2.25 C ATOM 1172 CD2 PHE A 74 -0.159 1.415 7.291 1.00 1.69 C ATOM 1173 CE1 PHE A 74 -1.152 3.343 9.078 1.00 2.40 C ATOM 1174 CE2 PHE A 74 0.684 1.982 8.252 1.00 1.66 C ATOM 1175 CZ PHE A 74 0.175 2.908 9.166 1.00 0.99 C ATOM 0 H PHE A 74 -3.837 -0.300 7.690 1.00 0.50 H new ATOM 0 HA PHE A 74 -4.215 2.361 6.479 1.00 0.47 H new ATOM 0 HB2 PHE A 74 -2.126 0.189 6.042 1.00 0.51 H new ATOM 0 HB3 PHE A 74 -2.189 1.726 5.203 1.00 0.51 H new ATOM 0 HD1 PHE A 74 -2.988 3.202 7.962 1.00 2.25 H new ATOM 0 HD2 PHE A 74 0.214 0.651 6.624 1.00 1.69 H new ATOM 0 HE1 PHE A 74 -1.536 4.066 9.783 1.00 2.40 H new ATOM 0 HE2 PHE A 74 1.727 1.704 8.288 1.00 1.66 H new ATOM 0 HZ PHE A 74 0.812 3.292 9.949 1.00 0.99 H new ATOM 1185 N ILE A 75 -5.287 -0.495 5.469 1.00 0.48 N ATOM 1186 CA ILE A 75 -6.101 -1.107 4.444 1.00 0.45 C ATOM 1187 C ILE A 75 -7.299 -0.196 4.204 1.00 0.47 C ATOM 1188 O ILE A 75 -8.110 0.029 5.095 1.00 0.65 O ATOM 1189 CB ILE A 75 -6.435 -2.558 4.849 1.00 0.48 C ATOM 1190 CG1 ILE A 75 -5.918 -3.505 3.764 1.00 0.67 C ATOM 1191 CG2 ILE A 75 -7.919 -2.853 5.097 1.00 0.72 C ATOM 1192 CD1 ILE A 75 -5.824 -4.938 4.293 1.00 0.98 C ATOM 0 H ILE A 75 -5.233 -1.027 6.338 1.00 0.48 H new ATOM 0 HA ILE A 75 -5.586 -1.202 3.488 1.00 0.45 H new ATOM 0 HB ILE A 75 -5.944 -2.711 5.810 1.00 0.48 H new ATOM 0 HG12 ILE A 75 -6.583 -3.474 2.901 1.00 0.67 H new ATOM 0 HG13 ILE A 75 -4.937 -3.173 3.423 1.00 0.67 H new ATOM 0 HG21 ILE A 75 -8.040 -3.900 5.375 1.00 0.72 H new ATOM 0 HG22 ILE A 75 -8.286 -2.218 5.903 1.00 0.72 H new ATOM 0 HG23 ILE A 75 -8.487 -2.651 4.189 1.00 0.72 H new ATOM 0 HD11 ILE A 75 -5.454 -5.593 3.504 1.00 0.98 H new ATOM 0 HD12 ILE A 75 -5.140 -4.969 5.141 1.00 0.98 H new ATOM 0 HD13 ILE A 75 -6.811 -5.274 4.611 1.00 0.98 H new ATOM 1204 N ILE A 76 -7.392 0.364 3.004 1.00 0.41 N ATOM 1205 CA ILE A 76 -8.554 1.132 2.593 1.00 0.46 C ATOM 1206 C ILE A 76 -9.452 0.272 1.706 1.00 0.49 C ATOM 1207 O ILE A 76 -10.460 0.752 1.204 1.00 0.64 O ATOM 1208 CB ILE A 76 -8.117 2.451 1.940 1.00 0.46 C ATOM 1209 CG1 ILE A 76 -7.322 2.233 0.647 1.00 0.48 C ATOM 1210 CG2 ILE A 76 -7.280 3.262 2.928 1.00 0.49 C ATOM 1211 CD1 ILE A 76 -8.251 2.352 -0.547 1.00 0.69 C ATOM 0 H ILE A 76 -6.664 0.297 2.292 1.00 0.41 H new ATOM 0 HA ILE A 76 -9.151 1.412 3.461 1.00 0.46 H new ATOM 0 HB ILE A 76 -9.023 2.996 1.675 1.00 0.46 H new ATOM 0 HG12 ILE A 76 -6.521 2.968 0.572 1.00 0.48 H new ATOM 0 HG13 ILE A 76 -6.852 1.250 0.658 1.00 0.48 H new ATOM 0 HG21 ILE A 76 -6.971 4.197 2.461 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.874 3.478 3.816 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -6.397 2.690 3.212 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -7.685 2.197 -1.465 1.00 0.69 H new ATOM 0 HD12 ILE A 76 -9.036 1.600 -0.473 1.00 0.69 H new ATOM 0 HD13 ILE A 76 -8.700 3.345 -0.561 1.00 0.69 H new ATOM 1223 N GLY A 77 -9.120 -1.003 1.493 1.00 0.44 N ATOM 1224 CA GLY A 77 -9.918 -1.871 0.657 1.00 0.50 C ATOM 1225 C GLY A 77 -9.139 -3.120 0.304 1.00 0.39 C ATOM 1226 O GLY A 77 -8.081 -3.391 0.868 1.00 0.37 O ATOM 0 H GLY A 77 -8.296 -1.450 1.896 1.00 0.44 H new ATOM 0 HA2 GLY A 77 -10.838 -2.142 1.175 1.00 0.50 H new ATOM 0 HA3 GLY A 77 -10.208 -1.345 -0.253 1.00 0.50 H new ATOM 1230 N GLU A 78 -9.646 -3.887 -0.653 1.00 0.43 N ATOM 1231 CA GLU A 78 -8.912 -5.015 -1.175 1.00 0.45 C ATOM 1232 C GLU A 78 -9.101 -5.025 -2.684 1.00 0.55 C ATOM 1233 O GLU A 78 -10.116 -4.533 -3.182 1.00 0.75 O ATOM 1234 CB GLU A 78 -9.355 -6.302 -0.466 1.00 0.54 C ATOM 1235 CG GLU A 78 -10.708 -6.833 -0.953 1.00 1.86 C ATOM 1236 CD GLU A 78 -11.135 -8.064 -0.147 1.00 1.98 C ATOM 1237 OE1 GLU A 78 -11.310 -7.921 1.084 1.00 2.57 O ATOM 1238 OE2 GLU A 78 -11.242 -9.150 -0.763 1.00 2.76 O ATOM 0 H GLU A 78 -10.562 -3.743 -1.078 1.00 0.43 H new ATOM 0 HA GLU A 78 -7.842 -4.941 -0.979 1.00 0.45 H new ATOM 0 HB2 GLU A 78 -8.596 -7.070 -0.617 1.00 0.54 H new ATOM 0 HB3 GLU A 78 -9.411 -6.116 0.606 1.00 0.54 H new ATOM 0 HG2 GLU A 78 -11.464 -6.053 -0.861 1.00 1.86 H new ATOM 0 HG3 GLU A 78 -10.643 -7.090 -2.010 1.00 1.86 H new ATOM 1245 N LEU A 79 -8.102 -5.538 -3.403 1.00 0.64 N ATOM 1246 CA LEU A 79 -8.159 -5.683 -4.848 1.00 0.81 C ATOM 1247 C LEU A 79 -9.442 -6.417 -5.207 1.00 0.65 C ATOM 1248 O LEU A 79 -9.752 -7.427 -4.578 1.00 0.80 O ATOM 1249 CB LEU A 79 -6.923 -6.464 -5.336 1.00 1.26 C ATOM 1250 CG LEU A 79 -5.896 -5.525 -5.960 1.00 0.67 C ATOM 1251 CD1 LEU A 79 -5.425 -4.444 -5.000 1.00 1.41 C ATOM 1252 CD2 LEU A 79 -4.676 -6.302 -6.450 1.00 1.62 C ATOM 0 H LEU A 79 -7.228 -5.865 -2.992 1.00 0.64 H new ATOM 0 HA LEU A 79 -8.156 -4.707 -5.333 1.00 0.81 H new ATOM 0 HB2 LEU A 79 -6.472 -6.998 -4.500 1.00 1.26 H new ATOM 0 HB3 LEU A 79 -7.227 -7.214 -6.066 1.00 1.26 H new ATOM 0 HG LEU A 79 -6.402 -5.044 -6.797 1.00 0.67 H new ATOM 0 HD11 LEU A 79 -4.696 -3.806 -5.500 1.00 1.41 H new ATOM 0 HD12 LEU A 79 -6.277 -3.842 -4.684 1.00 1.41 H new ATOM 0 HD13 LEU A 79 -4.965 -4.908 -4.128 1.00 1.41 H new ATOM 0 HD21 LEU A 79 -3.958 -5.611 -6.891 1.00 1.62 H new ATOM 0 HD22 LEU A 79 -4.213 -6.820 -5.610 1.00 1.62 H new ATOM 0 HD23 LEU A 79 -4.986 -7.031 -7.199 1.00 1.62 H new ATOM 1264 N HIS A 80 -10.177 -5.901 -6.198 1.00 0.53 N ATOM 1265 CA HIS A 80 -11.432 -6.504 -6.628 1.00 0.66 C ATOM 1266 C HIS A 80 -11.356 -8.027 -6.754 1.00 0.93 C ATOM 1267 O HIS A 80 -10.326 -8.577 -7.142 1.00 1.05 O ATOM 1268 CB HIS A 80 -11.869 -5.931 -7.980 1.00 0.73 C ATOM 1269 CG HIS A 80 -12.890 -4.836 -7.874 1.00 0.79 C ATOM 1270 ND1 HIS A 80 -13.907 -4.583 -8.767 1.00 1.22 N ATOM 1271 CD2 HIS A 80 -12.964 -3.905 -6.882 1.00 1.06 C ATOM 1272 CE1 HIS A 80 -14.574 -3.503 -8.318 1.00 1.27 C ATOM 1273 NE2 HIS A 80 -14.030 -3.056 -7.178 1.00 1.16 N ATOM 0 H HIS A 80 -9.918 -5.062 -6.717 1.00 0.53 H new ATOM 0 HA HIS A 80 -12.158 -6.263 -5.851 1.00 0.66 H new ATOM 0 HB2 HIS A 80 -10.992 -5.548 -8.502 1.00 0.73 H new ATOM 0 HB3 HIS A 80 -12.276 -6.737 -8.591 1.00 0.73 H new ATOM 0 HD2 HIS A 80 -12.314 -3.837 -6.022 1.00 1.06 H new ATOM 0 HE1 HIS A 80 -15.428 -3.059 -8.808 1.00 1.27 H new ATOM 0 HE2 HIS A 80 -14.336 -2.251 -6.632 1.00 1.16 H new ATOM 1281 N PRO A 81 -12.484 -8.715 -6.530 1.00 1.28 N ATOM 1282 CA PRO A 81 -12.511 -10.161 -6.524 1.00 1.70 C ATOM 1283 C PRO A 81 -12.340 -10.733 -7.929 1.00 1.74 C ATOM 1284 O PRO A 81 -11.724 -11.784 -8.098 1.00 2.20 O ATOM 1285 CB PRO A 81 -13.864 -10.549 -5.931 1.00 2.14 C ATOM 1286 CG PRO A 81 -14.752 -9.312 -6.089 1.00 2.06 C ATOM 1287 CD PRO A 81 -13.806 -8.143 -6.349 1.00 1.48 C ATOM 0 HA PRO A 81 -11.686 -10.566 -5.938 1.00 1.70 H new ATOM 0 HB2 PRO A 81 -14.289 -11.406 -6.453 1.00 2.14 H new ATOM 0 HB3 PRO A 81 -13.766 -10.830 -4.882 1.00 2.14 H new ATOM 0 HG2 PRO A 81 -15.452 -9.438 -6.915 1.00 2.06 H new ATOM 0 HG3 PRO A 81 -15.345 -9.141 -5.191 1.00 2.06 H new ATOM 0 HD2 PRO A 81 -14.112 -7.586 -7.234 1.00 1.48 H new ATOM 0 HD3 PRO A 81 -13.815 -7.443 -5.513 1.00 1.48 H new ATOM 1295 N ASP A 82 -12.872 -10.036 -8.937 1.00 1.92 N ATOM 1296 CA ASP A 82 -12.745 -10.442 -10.334 1.00 2.10 C ATOM 1297 C ASP A 82 -11.266 -10.614 -10.689 1.00 1.96 C ATOM 1298 O ASP A 82 -10.852 -11.583 -11.321 1.00 2.15 O ATOM 1299 CB ASP A 82 -13.395 -9.371 -11.220 1.00 2.28 C ATOM 1300 CG ASP A 82 -13.650 -9.864 -12.644 1.00 2.73 C ATOM 1301 OD1 ASP A 82 -13.723 -11.099 -12.827 1.00 3.38 O ATOM 1302 OD2 ASP A 82 -13.838 -8.992 -13.519 1.00 3.57 O ATOM 0 H ASP A 82 -13.402 -9.175 -8.805 1.00 1.92 H new ATOM 0 HA ASP A 82 -13.248 -11.395 -10.497 1.00 2.10 H new ATOM 0 HB2 ASP A 82 -14.339 -9.058 -10.773 1.00 2.28 H new ATOM 0 HB3 ASP A 82 -12.751 -8.492 -11.253 1.00 2.28 H new ATOM 1307 N ASP A 83 -10.443 -9.710 -10.157 1.00 1.76 N ATOM 1308 CA ASP A 83 -8.998 -9.713 -10.309 1.00 1.86 C ATOM 1309 C ASP A 83 -8.369 -10.216 -9.012 1.00 1.98 C ATOM 1310 O ASP A 83 -7.435 -9.619 -8.485 1.00 2.50 O ATOM 1311 CB ASP A 83 -8.505 -8.305 -10.668 1.00 2.02 C ATOM 1312 CG ASP A 83 -8.756 -7.957 -12.130 1.00 3.41 C ATOM 1313 OD1 ASP A 83 -8.208 -8.688 -12.985 1.00 4.23 O ATOM 1314 OD2 ASP A 83 -9.437 -6.933 -12.365 1.00 4.24 O ATOM 0 H ASP A 83 -10.781 -8.932 -9.591 1.00 1.76 H new ATOM 0 HA ASP A 83 -8.704 -10.378 -11.121 1.00 1.86 H new ATOM 0 HB2 ASP A 83 -9.006 -7.575 -10.032 1.00 2.02 H new ATOM 0 HB3 ASP A 83 -7.438 -8.232 -10.458 1.00 2.02 H new ATOM 1319 N ARG A 84 -8.868 -11.332 -8.479 1.00 2.00 N ATOM 1320 CA ARG A 84 -8.266 -11.956 -7.302 1.00 2.35 C ATOM 1321 C ARG A 84 -7.829 -13.374 -7.620 1.00 2.60 C ATOM 1322 O ARG A 84 -6.738 -13.779 -7.232 1.00 2.88 O ATOM 1323 CB ARG A 84 -9.260 -11.927 -6.137 1.00 2.67 C ATOM 1324 CG ARG A 84 -8.644 -12.449 -4.833 1.00 3.23 C ATOM 1325 CD ARG A 84 -9.692 -13.214 -4.024 1.00 4.26 C ATOM 1326 NE ARG A 84 -9.070 -13.874 -2.868 1.00 5.05 N ATOM 1327 CZ ARG A 84 -9.575 -14.919 -2.202 1.00 6.01 C ATOM 1328 NH1 ARG A 84 -10.750 -15.440 -2.559 1.00 6.49 N ATOM 1329 NH2 ARG A 84 -8.900 -15.445 -1.180 1.00 6.89 N ATOM 0 H ARG A 84 -9.686 -11.821 -8.843 1.00 2.00 H new ATOM 0 HA ARG A 84 -7.378 -11.395 -7.010 1.00 2.35 H new ATOM 0 HB2 ARG A 84 -9.611 -10.906 -5.987 1.00 2.67 H new ATOM 0 HB3 ARG A 84 -10.132 -12.530 -6.391 1.00 2.67 H new ATOM 0 HG2 ARG A 84 -7.799 -13.101 -5.056 1.00 3.23 H new ATOM 0 HG3 ARG A 84 -8.257 -11.616 -4.246 1.00 3.23 H new ATOM 0 HD2 ARG A 84 -10.469 -12.529 -3.684 1.00 4.26 H new ATOM 0 HD3 ARG A 84 -10.177 -13.957 -4.657 1.00 4.26 H new ATOM 0 HE ARG A 84 -8.176 -13.504 -2.545 1.00 5.05 H new ATOM 0 HH11 ARG A 84 -11.267 -15.042 -3.343 1.00 6.49 H new ATOM 0 HH12 ARG A 84 -11.131 -16.237 -2.048 1.00 6.49 H new ATOM 0 HH21 ARG A 84 -8.000 -15.051 -0.907 1.00 6.89 H new ATOM 0 HH22 ARG A 84 -9.284 -16.242 -0.671 1.00 6.89 H new ATOM 1343 N SER A 85 -8.661 -14.129 -8.335 1.00 2.79 N ATOM 1344 CA SER A 85 -8.385 -15.527 -8.637 1.00 3.29 C ATOM 1345 C SER A 85 -8.306 -15.689 -10.151 1.00 3.31 C ATOM 1346 O SER A 85 -8.986 -16.526 -10.739 1.00 3.62 O ATOM 1347 CB SER A 85 -9.439 -16.421 -7.975 1.00 3.86 C ATOM 1348 OG SER A 85 -8.894 -17.700 -7.729 1.00 4.57 O ATOM 0 H SER A 85 -9.542 -13.788 -8.719 1.00 2.79 H new ATOM 0 HA SER A 85 -7.426 -15.841 -8.226 1.00 3.29 H new ATOM 0 HB2 SER A 85 -9.774 -15.972 -7.040 1.00 3.86 H new ATOM 0 HB3 SER A 85 -10.314 -16.506 -8.620 1.00 3.86 H new ATOM 0 HG SER A 85 -9.571 -18.268 -7.304 1.00 4.57 H new ATOM 1354 N LYS A 86 -7.513 -14.831 -10.801 1.00 3.59 N ATOM 1355 CA LYS A 86 -7.368 -14.891 -12.251 1.00 4.49 C ATOM 1356 C LYS A 86 -6.017 -14.369 -12.715 1.00 5.50 C ATOM 1357 O LYS A 86 -5.384 -14.974 -13.574 1.00 6.62 O ATOM 1358 CB LYS A 86 -8.484 -14.080 -12.923 1.00 4.67 C ATOM 1359 CG LYS A 86 -9.067 -14.892 -14.080 1.00 5.33 C ATOM 1360 CD LYS A 86 -9.796 -13.984 -15.073 1.00 6.28 C ATOM 1361 CE LYS A 86 -8.943 -13.754 -16.328 1.00 7.37 C ATOM 1362 NZ LYS A 86 -9.676 -14.129 -17.556 1.00 8.24 N ATOM 0 H LYS A 86 -6.969 -14.096 -10.348 1.00 3.59 H new ATOM 0 HA LYS A 86 -7.439 -15.940 -12.540 1.00 4.49 H new ATOM 0 HB2 LYS A 86 -9.264 -13.843 -12.200 1.00 4.67 H new ATOM 0 HB3 LYS A 86 -8.091 -13.132 -13.290 1.00 4.67 H new ATOM 0 HG2 LYS A 86 -8.268 -15.429 -14.591 1.00 5.33 H new ATOM 0 HG3 LYS A 86 -9.757 -15.641 -13.692 1.00 5.33 H new ATOM 0 HD2 LYS A 86 -10.749 -14.434 -15.353 1.00 6.28 H new ATOM 0 HD3 LYS A 86 -10.022 -13.028 -14.601 1.00 6.28 H new ATOM 0 HE2 LYS A 86 -8.650 -12.706 -16.383 1.00 7.37 H new ATOM 0 HE3 LYS A 86 -8.025 -14.338 -16.258 1.00 7.37 H new ATOM 0 HZ1 LYS A 86 -9.072 -13.962 -18.386 1.00 8.24 H new ATOM 0 HZ2 LYS A 86 -9.934 -15.136 -17.513 1.00 8.24 H new ATOM 0 HZ3 LYS A 86 -10.539 -13.554 -17.634 1.00 8.24 H new ATOM 1376 N LEU A 87 -5.611 -13.216 -12.176 1.00 5.42 N ATOM 1377 CA LEU A 87 -4.282 -12.663 -12.392 1.00 6.58 C ATOM 1378 C LEU A 87 -3.221 -13.645 -11.902 1.00 7.87 C ATOM 1379 O LEU A 87 -3.548 -14.624 -11.240 1.00 8.23 O ATOM 1380 CB LEU A 87 -4.152 -11.301 -11.691 1.00 6.22 C ATOM 1381 CG LEU A 87 -4.370 -11.347 -10.164 1.00 5.80 C ATOM 1382 CD1 LEU A 87 -3.134 -11.781 -9.361 1.00 5.91 C ATOM 1383 CD2 LEU A 87 -4.774 -9.951 -9.705 1.00 6.02 C ATOM 0 H LEU A 87 -6.202 -12.641 -11.575 1.00 5.42 H new ATOM 0 HA LEU A 87 -4.128 -12.505 -13.459 1.00 6.58 H new ATOM 0 HB2 LEU A 87 -3.160 -10.896 -11.892 1.00 6.22 H new ATOM 0 HB3 LEU A 87 -4.873 -10.611 -12.128 1.00 6.22 H new ATOM 0 HG LEU A 87 -5.139 -12.096 -9.977 1.00 5.80 H new ATOM 0 HD11 LEU A 87 -3.374 -11.786 -8.298 1.00 5.91 H new ATOM 0 HD12 LEU A 87 -2.833 -12.782 -9.670 1.00 5.91 H new ATOM 0 HD13 LEU A 87 -2.317 -11.083 -9.545 1.00 5.91 H new ATOM 0 HD21 LEU A 87 -4.935 -9.955 -8.627 1.00 6.02 H new ATOM 0 HD22 LEU A 87 -3.982 -9.244 -9.951 1.00 6.02 H new ATOM 0 HD23 LEU A 87 -5.694 -9.655 -10.208 1.00 6.02 H new ATOM 1395 N SER A 88 -1.951 -13.324 -12.170 1.00 9.05 N ATOM 1396 CA SER A 88 -0.804 -14.173 -11.889 1.00 10.57 C ATOM 1397 C SER A 88 -0.859 -15.433 -12.743 1.00 11.27 C ATOM 1398 O SER A 88 -1.582 -16.383 -12.452 1.00 11.14 O ATOM 1399 CB SER A 88 -0.686 -14.483 -10.396 1.00 11.09 C ATOM 1400 OG SER A 88 0.441 -15.309 -10.188 1.00 12.39 O ATOM 0 H SER A 88 -1.692 -12.437 -12.602 1.00 9.05 H new ATOM 0 HA SER A 88 0.103 -13.632 -12.159 1.00 10.57 H new ATOM 0 HB2 SER A 88 -0.587 -13.559 -9.826 1.00 11.09 H new ATOM 0 HB3 SER A 88 -1.589 -14.981 -10.042 1.00 11.09 H new ATOM 0 HG SER A 88 0.526 -15.512 -9.233 1.00 12.39 H new ATOM 1406 N LYS A 89 -0.097 -15.450 -13.837 1.00 12.28 N ATOM 1407 CA LYS A 89 -0.008 -16.657 -14.633 1.00 13.32 C ATOM 1408 C LYS A 89 1.239 -16.582 -15.513 1.00 14.70 C ATOM 1409 O LYS A 89 1.524 -15.515 -16.050 1.00 14.88 O ATOM 1410 CB LYS A 89 -1.294 -16.808 -15.467 1.00 12.85 C ATOM 1411 CG LYS A 89 -1.938 -18.172 -15.188 1.00 13.57 C ATOM 1412 CD LYS A 89 -2.649 -18.746 -16.418 1.00 13.94 C ATOM 1413 CE LYS A 89 -2.544 -20.274 -16.372 1.00 15.34 C ATOM 1414 NZ LYS A 89 -1.298 -20.751 -17.019 1.00 16.69 N ATOM 0 H LYS A 89 0.451 -14.661 -14.179 1.00 12.28 H new ATOM 0 HA LYS A 89 0.082 -17.537 -13.996 1.00 13.32 H new ATOM 0 HB2 LYS A 89 -1.993 -16.009 -15.222 1.00 12.85 H new ATOM 0 HB3 LYS A 89 -1.063 -16.715 -16.528 1.00 12.85 H new ATOM 0 HG2 LYS A 89 -1.171 -18.872 -14.856 1.00 13.57 H new ATOM 0 HG3 LYS A 89 -2.654 -18.073 -14.372 1.00 13.57 H new ATOM 0 HD2 LYS A 89 -3.695 -18.438 -16.429 1.00 13.94 H new ATOM 0 HD3 LYS A 89 -2.194 -18.363 -17.331 1.00 13.94 H new ATOM 0 HE2 LYS A 89 -2.569 -20.611 -15.336 1.00 15.34 H new ATOM 0 HE3 LYS A 89 -3.407 -20.715 -16.872 1.00 15.34 H new ATOM 0 HZ1 LYS A 89 -1.530 -21.479 -17.725 1.00 16.69 H new ATOM 0 HZ2 LYS A 89 -0.823 -19.953 -17.487 1.00 16.69 H new ATOM 0 HZ3 LYS A 89 -0.666 -21.156 -16.299 1.00 16.69 H new ATOM 1428 N PRO A 90 1.995 -17.680 -15.650 1.00 15.90 N ATOM 1429 CA PRO A 90 3.162 -17.717 -16.509 1.00 17.38 C ATOM 1430 C PRO A 90 2.732 -17.798 -17.970 1.00 17.85 C ATOM 1431 O PRO A 90 1.621 -18.247 -18.265 1.00 17.35 O ATOM 1432 CB PRO A 90 3.937 -18.971 -16.101 1.00 18.54 C ATOM 1433 CG PRO A 90 2.921 -19.868 -15.389 1.00 17.87 C ATOM 1434 CD PRO A 90 1.739 -18.967 -15.038 1.00 16.10 C ATOM 0 HA PRO A 90 3.775 -16.822 -16.405 1.00 17.38 H new ATOM 0 HB2 PRO A 90 4.359 -19.472 -16.972 1.00 18.54 H new ATOM 0 HB3 PRO A 90 4.769 -18.721 -15.442 1.00 18.54 H new ATOM 0 HG2 PRO A 90 2.608 -20.690 -16.032 1.00 17.87 H new ATOM 0 HG3 PRO A 90 3.353 -20.312 -14.492 1.00 17.87 H new ATOM 0 HD2 PRO A 90 0.806 -19.392 -15.408 1.00 16.10 H new ATOM 0 HD3 PRO A 90 1.637 -18.867 -13.957 1.00 16.10 H new ATOM 1442 N MET A 91 3.632 -17.408 -18.877 1.00 19.01 N ATOM 1443 CA MET A 91 3.412 -17.434 -20.314 1.00 19.75 C ATOM 1444 C MET A 91 4.723 -17.097 -21.019 1.00 21.32 C ATOM 1445 O MET A 91 5.644 -16.590 -20.383 1.00 21.94 O ATOM 1446 CB MET A 91 2.342 -16.404 -20.695 1.00 19.18 C ATOM 1447 CG MET A 91 2.744 -14.979 -20.300 1.00 19.69 C ATOM 1448 SD MET A 91 1.433 -13.768 -20.603 1.00 19.52 S ATOM 1449 CE MET A 91 2.435 -12.361 -21.140 1.00 20.69 C ATOM 0 H MET A 91 4.555 -17.058 -18.619 1.00 19.01 H new ATOM 0 HA MET A 91 3.072 -18.425 -20.616 1.00 19.75 H new ATOM 0 HB2 MET A 91 2.167 -16.445 -21.770 1.00 19.18 H new ATOM 0 HB3 MET A 91 1.402 -16.663 -20.208 1.00 19.18 H new ATOM 0 HG2 MET A 91 3.010 -14.962 -19.243 1.00 19.69 H new ATOM 0 HG3 MET A 91 3.635 -14.690 -20.858 1.00 19.69 H new ATOM 0 HE1 MET A 91 1.784 -11.518 -21.370 1.00 20.69 H new ATOM 0 HE2 MET A 91 3.125 -12.080 -20.344 1.00 20.69 H new ATOM 0 HE3 MET A 91 3.001 -12.636 -22.030 1.00 20.69 H new ATOM 1459 N GLU A 92 4.786 -17.326 -22.329 1.00 22.09 N ATOM 1460 CA GLU A 92 5.918 -16.933 -23.149 1.00 23.65 C ATOM 1461 C GLU A 92 5.471 -16.894 -24.608 1.00 24.26 C ATOM 1462 O GLU A 92 4.408 -17.425 -24.935 1.00 23.64 O ATOM 1463 CB GLU A 92 7.070 -17.937 -22.975 1.00 24.72 C ATOM 1464 CG GLU A 92 8.254 -17.294 -22.245 1.00 25.70 C ATOM 1465 CD GLU A 92 9.579 -17.863 -22.746 1.00 27.36 C ATOM 1466 OE1 GLU A 92 9.833 -19.058 -22.481 1.00 28.02 O ATOM 1467 OE2 GLU A 92 10.314 -17.090 -23.392 1.00 28.05 O ATOM 0 H GLU A 92 4.044 -17.794 -22.850 1.00 22.09 H new ATOM 0 HA GLU A 92 6.273 -15.948 -22.844 1.00 23.65 H new ATOM 0 HB2 GLU A 92 6.720 -18.804 -22.414 1.00 24.72 H new ATOM 0 HB3 GLU A 92 7.393 -18.298 -23.951 1.00 24.72 H new ATOM 0 HG2 GLU A 92 8.237 -16.215 -22.397 1.00 25.70 H new ATOM 0 HG3 GLU A 92 8.162 -17.467 -21.173 1.00 25.70 H new ATOM 1474 N THR A 93 6.298 -16.301 -25.471 1.00 25.59 N ATOM 1475 CA THR A 93 6.004 -16.177 -26.891 1.00 26.37 C ATOM 1476 C THR A 93 7.275 -16.406 -27.702 1.00 28.06 C ATOM 1477 O THR A 93 7.292 -17.286 -28.561 1.00 28.29 O ATOM 1478 CB THR A 93 5.383 -14.800 -27.166 1.00 26.07 C ATOM 1479 OG1 THR A 93 4.151 -14.706 -26.481 1.00 25.36 O ATOM 1480 CG2 THR A 93 5.122 -14.527 -28.652 1.00 26.63 C ATOM 0 H THR A 93 7.193 -15.893 -25.199 1.00 25.59 H new ATOM 0 HA THR A 93 5.281 -16.935 -27.194 1.00 26.37 H new ATOM 0 HB THR A 93 6.106 -14.061 -26.820 1.00 26.07 H new ATOM 0 HG1 THR A 93 3.749 -13.829 -26.650 1.00 25.36 H new ATOM 0 HG21 THR A 93 4.683 -13.536 -28.768 1.00 26.63 H new ATOM 0 HG22 THR A 93 6.062 -14.574 -29.201 1.00 26.63 H new ATOM 0 HG23 THR A 93 4.435 -15.277 -29.044 1.00 26.63 H new ATOM 1488 N LEU A 94 8.325 -15.618 -27.468 1.00 29.38 N ATOM 1489 CA LEU A 94 9.586 -15.764 -28.172 1.00 31.16 C ATOM 1490 C LEU A 94 10.719 -15.407 -27.224 1.00 32.09 C ATOM 1491 O LEU A 94 11.879 -15.652 -27.618 1.00 33.28 O ATOM 1492 CB LEU A 94 9.618 -14.942 -29.478 1.00 31.96 C ATOM 1493 CG LEU A 94 9.739 -13.408 -29.364 1.00 32.62 C ATOM 1494 CD1 LEU A 94 10.244 -12.843 -30.707 1.00 33.45 C ATOM 1495 CD2 LEU A 94 8.411 -12.724 -28.995 1.00 31.83 C ATOM 1496 OXT LEU A 94 10.382 -14.854 -26.153 1.00 31.72 O ATOM 0 H LEU A 94 8.319 -14.862 -26.783 1.00 29.38 H new ATOM 0 HA LEU A 94 9.708 -16.801 -28.486 1.00 31.16 H new ATOM 0 HB2 LEU A 94 10.455 -15.300 -30.078 1.00 31.96 H new ATOM 0 HB3 LEU A 94 8.708 -15.165 -30.036 1.00 31.96 H new ATOM 0 HG LEU A 94 10.442 -13.198 -28.557 1.00 32.62 H new ATOM 0 HD11 LEU A 94 10.332 -11.759 -30.635 1.00 33.45 H new ATOM 0 HD12 LEU A 94 11.219 -13.272 -30.939 1.00 33.45 H new ATOM 0 HD13 LEU A 94 9.538 -13.098 -31.497 1.00 33.45 H new ATOM 0 HD21 LEU A 94 8.562 -11.647 -28.930 1.00 31.83 H new ATOM 0 HD22 LEU A 94 7.665 -12.940 -29.760 1.00 31.83 H new ATOM 0 HD23 LEU A 94 8.063 -13.100 -28.033 1.00 31.83 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.270 -0.495 6.103 1.00 0.36 FE HETATM 1510 CHA HEM A 95 10.923 -0.591 8.234 1.00 0.55 C HETATM 1511 CHB HEM A 95 6.057 -0.405 8.738 1.00 0.36 C HETATM 1512 CHC HEM A 95 5.640 -0.584 3.853 1.00 0.33 C HETATM 1513 CHD HEM A 95 10.474 -0.298 3.374 1.00 0.44 C HETATM 1514 NA HEM A 95 8.450 -0.530 8.117 1.00 0.42 N HETATM 1515 C1A HEM A 95 9.635 -0.621 8.765 1.00 0.51 C HETATM 1516 C2A HEM A 95 9.351 -0.770 10.172 1.00 0.56 C HETATM 1517 C3A HEM A 95 7.991 -0.614 10.336 1.00 0.50 C HETATM 1518 C4A HEM A 95 7.423 -0.485 9.010 1.00 0.41 C HETATM 1519 CMA HEM A 95 7.207 -0.672 11.634 1.00 0.57 C HETATM 1520 CAA HEM A 95 10.396 -1.057 11.227 1.00 0.64 C HETATM 1521 CBA HEM A 95 11.060 -2.435 11.047 1.00 1.67 C HETATM 1522 CGA HEM A 95 12.316 -2.616 11.898 1.00 1.95 C HETATM 1523 O1A HEM A 95 12.711 -1.641 12.576 1.00 2.53 O HETATM 1524 O2A HEM A 95 12.877 -3.731 11.840 1.00 3.09 O HETATM 1525 NB HEM A 95 6.239 -0.484 6.259 1.00 0.29 N HETATM 1526 C1B HEM A 95 5.548 -0.448 7.438 1.00 0.30 C HETATM 1527 C2B HEM A 95 4.143 -0.489 7.119 1.00 0.31 C HETATM 1528 C3B HEM A 95 4.046 -0.568 5.751 1.00 0.32 C HETATM 1529 C4B HEM A 95 5.370 -0.518 5.205 1.00 0.30 C HETATM 1530 CMB HEM A 95 3.045 -0.499 8.127 1.00 0.36 C HETATM 1531 CAB HEM A 95 2.825 -0.907 4.915 1.00 0.39 C HETATM 1532 CBB HEM A 95 1.815 -1.658 5.370 1.00 0.69 C HETATM 1533 NC HEM A 95 8.087 -0.453 4.005 1.00 0.34 N HETATM 1534 C1C HEM A 95 6.907 -0.550 3.337 1.00 0.33 C HETATM 1535 C2C HEM A 95 7.178 -0.654 1.929 1.00 0.37 C HETATM 1536 C3C HEM A 95 8.530 -0.467 1.795 1.00 0.40 C HETATM 1537 C4C HEM A 95 9.117 -0.392 3.109 1.00 0.39 C HETATM 1538 CMC HEM A 95 6.160 -0.958 0.859 1.00 0.43 C HETATM 1539 CAC HEM A 95 9.313 -0.461 0.499 1.00 0.46 C HETATM 1540 CBC HEM A 95 8.771 -0.122 -0.689 1.00 0.60 C HETATM 1541 ND HEM A 95 10.334 -0.439 5.848 1.00 0.44 N HETATM 1542 C1D HEM A 95 10.994 -0.326 4.662 1.00 0.46 C HETATM 1543 C2D HEM A 95 12.396 -0.185 4.953 1.00 0.53 C HETATM 1544 C3D HEM A 95 12.542 -0.293 6.321 1.00 0.57 C HETATM 1545 C4D HEM A 95 11.213 -0.460 6.875 1.00 0.52 C HETATM 1546 CMD HEM A 95 13.452 0.093 3.909 1.00 0.57 C HETATM 1547 CAD HEM A 95 13.809 -0.130 7.134 1.00 0.69 C HETATM 1548 CBD HEM A 95 15.064 -0.812 6.583 1.00 1.34 C HETATM 1549 CGD HEM A 95 16.020 -1.168 7.717 1.00 1.97 C HETATM 1550 O1D HEM A 95 16.438 -0.223 8.423 1.00 2.92 O HETATM 1551 O2D HEM A 95 16.312 -2.374 7.861 1.00 2.89 O HETATM 0 HMA1 HEM A 95 7.753 -1.271 12.363 1.00 0.57 H new HETATM 0 HMA2 HEM A 95 6.232 -1.124 11.451 1.00 0.57 H new HETATM 0 HMA3 HEM A 95 7.071 0.337 12.022 1.00 0.57 H new HETATM 0 HMB1 HEM A 95 2.163 -0.015 7.709 1.00 0.36 H new HETATM 0 HMB2 HEM A 95 3.365 0.039 9.019 1.00 0.36 H new HETATM 0 HMB3 HEM A 95 2.803 -1.528 8.391 1.00 0.36 H new HETATM 0 HMC1 HEM A 95 5.370 -1.583 1.275 1.00 0.43 H new HETATM 0 HMC2 HEM A 95 6.643 -1.485 0.036 1.00 0.43 H new HETATM 0 HMC3 HEM A 95 5.730 -0.027 0.491 1.00 0.43 H new HETATM 0 HMD1 HEM A 95 14.268 0.660 4.358 1.00 0.57 H new HETATM 0 HMD2 HEM A 95 13.015 0.670 3.094 1.00 0.57 H new HETATM 0 HMD3 HEM A 95 13.836 -0.850 3.520 1.00 0.57 H new HETATM 0 HBB1 HEM A 95 0.961 -1.871 4.727 1.00 0.69 H new HETATM 0 HBB2 HEM A 95 1.846 -2.057 6.384 1.00 0.69 H new HETATM 0 HBC1 HEM A 95 9.383 -0.136 -1.591 1.00 0.60 H new HETATM 0 HBC2 HEM A 95 7.721 0.165 -0.747 1.00 0.60 H new HETATM 0 HBA1 HEM A 95 11.318 -2.572 9.997 1.00 1.67 H new HETATM 0 HBA2 HEM A 95 10.341 -3.213 11.303 1.00 1.67 H new HETATM 0 HAA1 HEM A 95 9.934 -1.007 12.213 1.00 0.64 H new HETATM 0 HAA2 HEM A 95 11.162 -0.282 11.194 1.00 0.64 H new HETATM 0 HBD1 HEM A 95 15.562 -0.152 5.873 1.00 1.34 H new HETATM 0 HBD2 HEM A 95 14.785 -1.714 6.038 1.00 1.34 H new HETATM 0 HAD1 HEM A 95 13.623 -0.515 8.137 1.00 0.69 H new HETATM 0 HAD2 HEM A 95 14.016 0.936 7.235 1.00 0.69 H new HETATM 0 HHA HEM A 95 11.753 -0.675 8.920 1.00 0.55 H new HETATM 0 HHB HEM A 95 5.367 -0.306 9.563 1.00 0.36 H new HETATM 0 HHC HEM A 95 4.809 -0.667 3.168 1.00 0.33 H new HETATM 0 HHD HEM A 95 11.157 -0.199 2.543 1.00 0.44 H new HETATM 0 HAB HEM A 95 2.768 -0.521 3.897 1.00 0.39 H new HETATM 0 HAC HEM A 95 10.365 -0.744 0.527 1.00 0.46 H new