USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ 150:sc= 0.426 (180deg=0.0475) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -20:sc= 0.396! USER MOD Single : A 7 GLN : amide:sc= -0.0973 K(o=-0.097,f=-1.1!) USER MOD Single : A 8 ASN : amide:sc= 0.209 X(o=0.21,f=-0.011) USER MOD Single : A 9 ASN : amide:sc= -0.545 K(o=-0.55,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.45) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 4.610 11.967 -24.273 1.00 29.56 N ATOM 2 CA TYR A 1 3.178 12.286 -24.005 1.00 30.12 C ATOM 3 C TYR A 1 2.881 12.081 -22.514 1.00 28.86 C ATOM 4 O TYR A 1 3.466 12.729 -21.670 1.00 28.00 O ATOM 5 CB TYR A 1 2.262 11.387 -24.838 1.00 31.28 C ATOM 6 CG TYR A 1 2.382 11.771 -26.313 1.00 32.34 C ATOM 7 CD1 TYR A 1 1.584 12.764 -26.845 1.00 33.27 C ATOM 8 CD2 TYR A 1 3.290 11.132 -27.132 1.00 32.42 C ATOM 9 CE1 TYR A 1 1.693 13.110 -28.177 1.00 34.23 C ATOM 10 CE2 TYR A 1 3.398 11.478 -28.464 1.00 33.41 C ATOM 11 CZ TYR A 1 2.600 12.471 -28.996 1.00 34.31 C ATOM 12 OH TYR A 1 2.708 12.817 -30.328 1.00 35.31 O ATOM 0 H1 TYR A 1 4.710 11.610 -25.245 1.00 29.56 H new ATOM 0 H2 TYR A 1 5.184 12.826 -24.159 1.00 29.56 H new ATOM 0 H3 TYR A 1 4.935 11.242 -23.603 1.00 29.56 H new ATOM 0 HA TYR A 1 2.992 13.324 -24.280 1.00 30.12 H new ATOM 0 HB2 TYR A 1 2.536 10.341 -24.699 1.00 31.28 H new ATOM 0 HB3 TYR A 1 1.229 11.493 -24.506 1.00 31.28 H new ATOM 0 HD1 TYR A 1 0.870 13.273 -26.215 1.00 33.27 H new ATOM 0 HD2 TYR A 1 3.921 10.355 -26.728 1.00 32.42 H new ATOM 0 HE1 TYR A 1 1.062 13.888 -28.581 1.00 34.23 H new ATOM 0 HE2 TYR A 1 4.112 10.968 -29.094 1.00 33.41 H new ATOM 0 HH TYR A 1 3.397 12.266 -30.754 1.00 35.31 H new ATOM 24 N ALA A 2 1.976 11.186 -22.220 1.00 28.84 N ATOM 25 CA ALA A 2 1.636 10.931 -20.790 1.00 27.68 C ATOM 26 C ALA A 2 2.590 9.889 -20.198 1.00 26.20 C ATOM 27 O ALA A 2 2.228 8.743 -20.017 1.00 26.34 O ATOM 28 CB ALA A 2 0.200 10.417 -20.701 1.00 28.42 C ATOM 0 H ALA A 2 1.462 10.626 -22.900 1.00 28.84 H new ATOM 0 HA ALA A 2 1.734 11.859 -20.226 1.00 27.68 H new ATOM 0 HB1 ALA A 2 -0.055 10.229 -19.658 1.00 28.42 H new ATOM 0 HB2 ALA A 2 -0.480 11.164 -21.112 1.00 28.42 H new ATOM 0 HB3 ALA A 2 0.109 9.492 -21.270 1.00 28.42 H new ATOM 34 N SER A 3 3.791 10.310 -19.907 1.00 24.89 N ATOM 35 CA SER A 3 4.782 9.357 -19.327 1.00 23.40 C ATOM 36 C SER A 3 5.816 10.112 -18.496 1.00 21.83 C ATOM 37 O SER A 3 5.752 10.131 -17.282 1.00 20.87 O ATOM 38 CB SER A 3 5.488 8.617 -20.462 1.00 23.56 C ATOM 39 OG SER A 3 4.434 7.975 -21.164 1.00 24.83 O ATOM 0 H SER A 3 4.127 11.263 -20.044 1.00 24.89 H new ATOM 0 HA SER A 3 4.262 8.647 -18.684 1.00 23.40 H new ATOM 0 HB2 SER A 3 6.036 9.305 -21.107 1.00 23.56 H new ATOM 0 HB3 SER A 3 6.210 7.895 -20.079 1.00 23.56 H new ATOM 0 HG SER A 3 3.649 7.904 -20.582 1.00 24.83 H new ATOM 45 N LEU A 4 6.747 10.711 -19.173 1.00 21.68 N ATOM 46 CA LEU A 4 7.809 11.478 -18.456 1.00 20.32 C ATOM 47 C LEU A 4 7.194 12.309 -17.323 1.00 19.88 C ATOM 48 O LEU A 4 6.199 12.981 -17.512 1.00 20.58 O ATOM 49 CB LEU A 4 8.512 12.407 -19.446 1.00 20.84 C ATOM 50 CG LEU A 4 7.461 13.122 -20.299 1.00 22.41 C ATOM 51 CD1 LEU A 4 7.815 14.609 -20.390 1.00 22.88 C ATOM 52 CD2 LEU A 4 7.458 12.519 -21.706 1.00 23.06 C ATOM 0 H LEU A 4 6.824 10.706 -20.190 1.00 21.68 H new ATOM 0 HA LEU A 4 8.527 10.778 -18.028 1.00 20.32 H new ATOM 0 HB2 LEU A 4 9.120 13.136 -18.910 1.00 20.84 H new ATOM 0 HB3 LEU A 4 9.187 11.835 -20.083 1.00 20.84 H new ATOM 0 HG LEU A 4 6.477 13.004 -19.846 1.00 22.41 H new ATOM 0 HD11 LEU A 4 7.070 15.124 -20.996 1.00 22.88 H new ATOM 0 HD12 LEU A 4 7.830 15.041 -19.389 1.00 22.88 H new ATOM 0 HD13 LEU A 4 8.797 14.722 -20.849 1.00 22.88 H new ATOM 0 HD21 LEU A 4 6.711 13.025 -22.317 1.00 23.06 H new ATOM 0 HD22 LEU A 4 8.442 12.645 -22.158 1.00 23.06 H new ATOM 0 HD23 LEU A 4 7.219 11.457 -21.646 1.00 23.06 H new ATOM 64 N GLU A 5 7.802 12.240 -16.171 1.00 18.76 N ATOM 65 CA GLU A 5 7.271 13.019 -15.011 1.00 18.32 C ATOM 66 C GLU A 5 6.897 14.439 -15.450 1.00 19.50 C ATOM 67 O GLU A 5 7.732 15.320 -15.489 1.00 19.56 O ATOM 68 CB GLU A 5 8.341 13.087 -13.922 1.00 17.00 C ATOM 69 CG GLU A 5 9.685 13.453 -14.556 1.00 16.75 C ATOM 70 CD GLU A 5 10.348 14.560 -13.733 1.00 16.37 C ATOM 71 OE1 GLU A 5 10.913 14.209 -12.710 1.00 15.18 O ATOM 72 OE2 GLU A 5 10.251 15.693 -14.173 1.00 17.37 O ATOM 0 H GLU A 5 8.636 11.684 -15.981 1.00 18.76 H new ATOM 0 HA GLU A 5 6.379 12.524 -14.626 1.00 18.32 H new ATOM 0 HB2 GLU A 5 8.066 13.828 -13.172 1.00 17.00 H new ATOM 0 HB3 GLU A 5 8.417 12.128 -13.410 1.00 17.00 H new ATOM 0 HG2 GLU A 5 10.332 12.577 -14.596 1.00 16.75 H new ATOM 0 HG3 GLU A 5 9.537 13.787 -15.583 1.00 16.75 H new ATOM 79 N GLU A 6 5.646 14.629 -15.770 1.00 20.52 N ATOM 80 CA GLU A 6 5.199 15.983 -16.207 1.00 21.73 C ATOM 81 C GLU A 6 5.178 16.944 -15.014 1.00 21.10 C ATOM 82 O GLU A 6 5.692 16.636 -13.957 1.00 20.03 O ATOM 83 CB GLU A 6 3.795 15.877 -16.801 1.00 23.15 C ATOM 84 CG GLU A 6 2.925 15.016 -15.884 1.00 22.82 C ATOM 85 CD GLU A 6 1.453 15.374 -16.098 1.00 24.25 C ATOM 86 OE1 GLU A 6 1.084 16.443 -15.641 1.00 24.82 O ATOM 87 OE2 GLU A 6 0.781 14.559 -16.709 1.00 24.77 O ATOM 0 H GLU A 6 4.920 13.913 -15.748 1.00 20.52 H new ATOM 0 HA GLU A 6 5.892 16.367 -16.955 1.00 21.73 H new ATOM 0 HB2 GLU A 6 3.358 16.869 -16.911 1.00 23.15 H new ATOM 0 HB3 GLU A 6 3.841 15.437 -17.797 1.00 23.15 H new ATOM 0 HG2 GLU A 6 3.088 13.959 -16.096 1.00 22.82 H new ATOM 0 HG3 GLU A 6 3.203 15.179 -14.843 1.00 22.82 H new ATOM 94 N GLN A 7 4.584 18.089 -15.210 1.00 21.82 N ATOM 95 CA GLN A 7 4.521 19.081 -14.097 1.00 21.40 C ATOM 96 C GLN A 7 3.376 18.731 -13.139 1.00 21.03 C ATOM 97 O GLN A 7 2.355 19.390 -13.122 1.00 21.90 O ATOM 98 CB GLN A 7 4.289 20.473 -14.683 1.00 22.44 C ATOM 99 CG GLN A 7 5.445 20.821 -15.622 1.00 22.87 C ATOM 100 CD GLN A 7 5.507 22.338 -15.808 1.00 23.88 C ATOM 101 OE1 GLN A 7 5.290 23.098 -14.885 1.00 23.88 O ATOM 102 NE2 GLN A 7 5.801 22.820 -16.985 1.00 24.81 N ATOM 0 H GLN A 7 4.143 18.380 -16.083 1.00 21.82 H new ATOM 0 HA GLN A 7 5.460 19.061 -13.544 1.00 21.40 H new ATOM 0 HB2 GLN A 7 3.344 20.500 -15.225 1.00 22.44 H new ATOM 0 HB3 GLN A 7 4.219 21.211 -13.883 1.00 22.44 H new ATOM 0 HG2 GLN A 7 6.386 20.455 -15.210 1.00 22.87 H new ATOM 0 HG3 GLN A 7 5.306 20.330 -16.585 1.00 22.87 H new ATOM 0 HE21 GLN A 7 5.984 22.187 -17.764 1.00 24.81 H new ATOM 0 HE22 GLN A 7 5.848 23.829 -17.126 1.00 24.81 H new ATOM 111 N ASN A 8 3.572 17.700 -12.363 1.00 19.78 N ATOM 112 CA ASN A 8 2.504 17.294 -11.401 1.00 19.35 C ATOM 113 C ASN A 8 3.132 16.736 -10.120 1.00 17.78 C ATOM 114 O ASN A 8 2.482 16.642 -9.097 1.00 17.43 O ATOM 115 CB ASN A 8 1.631 16.222 -12.050 1.00 19.56 C ATOM 116 CG ASN A 8 0.177 16.424 -11.617 1.00 20.32 C ATOM 117 OD1 ASN A 8 -0.745 16.198 -12.374 1.00 21.26 O ATOM 118 ND2 ASN A 8 -0.070 16.848 -10.408 1.00 20.05 N ATOM 0 H ASN A 8 4.415 17.126 -12.351 1.00 19.78 H new ATOM 0 HA ASN A 8 1.898 18.164 -11.146 1.00 19.35 H new ATOM 0 HB2 ASN A 8 1.711 16.280 -13.136 1.00 19.56 H new ATOM 0 HB3 ASN A 8 1.975 15.230 -11.757 1.00 19.56 H new ATOM 0 HD21 ASN A 8 -1.033 16.988 -10.103 1.00 20.05 H new ATOM 0 HD22 ASN A 8 0.700 17.040 -9.767 1.00 20.05 H new ATOM 125 N ASN A 9 4.384 16.376 -10.204 1.00 16.98 N ATOM 126 CA ASN A 9 5.070 15.822 -8.998 1.00 15.55 C ATOM 127 C ASN A 9 4.178 14.782 -8.313 1.00 14.59 C ATOM 128 O ASN A 9 3.538 15.066 -7.319 1.00 14.57 O ATOM 129 CB ASN A 9 5.367 16.961 -8.024 1.00 15.67 C ATOM 130 CG ASN A 9 6.240 18.007 -8.722 1.00 16.61 C ATOM 131 OD1 ASN A 9 6.044 19.196 -8.569 1.00 17.46 O ATOM 132 ND2 ASN A 9 7.212 17.606 -9.494 1.00 16.62 N ATOM 0 H ASN A 9 4.958 16.440 -11.045 1.00 16.98 H new ATOM 0 HA ASN A 9 6.000 15.342 -9.303 1.00 15.55 H new ATOM 0 HB2 ASN A 9 4.437 17.416 -7.683 1.00 15.67 H new ATOM 0 HB3 ASN A 9 5.876 16.576 -7.140 1.00 15.67 H new ATOM 0 HD21 ASN A 9 7.804 18.290 -9.966 1.00 16.62 H new ATOM 0 HD22 ASN A 9 7.380 16.609 -9.626 1.00 16.62 H new ATOM 139 N ASP A 10 4.154 13.597 -8.860 1.00 13.95 N ATOM 140 CA ASP A 10 3.311 12.526 -8.253 1.00 13.02 C ATOM 141 C ASP A 10 3.985 11.161 -8.426 1.00 11.92 C ATOM 142 O ASP A 10 4.591 10.890 -9.445 1.00 12.59 O ATOM 143 CB ASP A 10 1.949 12.513 -8.944 1.00 13.97 C ATOM 144 CG ASP A 10 2.078 11.822 -10.304 1.00 14.55 C ATOM 145 OD1 ASP A 10 2.940 12.255 -11.051 1.00 14.97 O ATOM 146 OD2 ASP A 10 1.307 10.901 -10.517 1.00 14.71 O ATOM 0 H ASP A 10 4.676 13.325 -9.693 1.00 13.95 H new ATOM 0 HA ASP A 10 3.187 12.725 -7.188 1.00 13.02 H new ATOM 0 HB2 ASP A 10 1.220 11.990 -8.325 1.00 13.97 H new ATOM 0 HB3 ASP A 10 1.585 13.532 -9.074 1.00 13.97 H new ATOM 151 N ALA A 11 3.865 10.332 -7.427 1.00 10.43 N ATOM 152 CA ALA A 11 4.494 8.981 -7.517 1.00 9.47 C ATOM 153 C ALA A 11 3.731 7.983 -6.640 1.00 8.36 C ATOM 154 O ALA A 11 3.779 8.055 -5.427 1.00 8.18 O ATOM 155 CB ALA A 11 5.943 9.072 -7.043 1.00 8.44 C ATOM 0 H ALA A 11 3.364 10.526 -6.560 1.00 10.43 H new ATOM 0 HA ALA A 11 4.462 8.638 -8.551 1.00 9.47 H new ATOM 0 HB1 ALA A 11 6.409 8.089 -7.106 1.00 8.44 H new ATOM 0 HB2 ALA A 11 6.489 9.773 -7.674 1.00 8.44 H new ATOM 0 HB3 ALA A 11 5.967 9.419 -6.010 1.00 8.44 H new ATOM 161 N LEU A 12 3.044 7.072 -7.273 1.00 7.77 N ATOM 162 CA LEU A 12 2.274 6.061 -6.491 1.00 6.68 C ATOM 163 C LEU A 12 3.127 4.810 -6.261 1.00 5.77 C ATOM 164 O LEU A 12 4.064 4.552 -6.989 1.00 6.10 O ATOM 165 CB LEU A 12 1.014 5.683 -7.267 1.00 6.44 C ATOM 166 CG LEU A 12 -0.118 6.637 -6.881 1.00 6.84 C ATOM 167 CD1 LEU A 12 -1.124 6.715 -8.031 1.00 7.25 C ATOM 168 CD2 LEU A 12 -0.822 6.104 -5.632 1.00 6.13 C ATOM 0 H LEU A 12 2.982 6.983 -8.287 1.00 7.77 H new ATOM 0 HA LEU A 12 2.002 6.485 -5.524 1.00 6.68 H new ATOM 0 HB2 LEU A 12 1.202 5.738 -8.339 1.00 6.44 H new ATOM 0 HB3 LEU A 12 0.730 4.654 -7.045 1.00 6.44 H new ATOM 0 HG LEU A 12 0.289 7.628 -6.679 1.00 6.84 H new ATOM 0 HD11 LEU A 12 -1.933 7.394 -7.761 1.00 7.25 H new ATOM 0 HD12 LEU A 12 -0.625 7.084 -8.927 1.00 7.25 H new ATOM 0 HD13 LEU A 12 -1.532 5.723 -8.225 1.00 7.25 H new ATOM 0 HD21 LEU A 12 -1.630 6.781 -5.353 1.00 6.13 H new ATOM 0 HD22 LEU A 12 -1.232 5.116 -5.839 1.00 6.13 H new ATOM 0 HD23 LEU A 12 -0.107 6.035 -4.812 1.00 6.13 H new ATOM 180 N SER A 13 2.782 4.059 -5.251 1.00 4.74 N ATOM 181 CA SER A 13 3.561 2.820 -4.956 1.00 3.90 C ATOM 182 C SER A 13 3.404 1.803 -6.128 1.00 3.05 C ATOM 183 O SER A 13 2.310 1.334 -6.373 1.00 2.64 O ATOM 184 CB SER A 13 3.002 2.192 -3.679 1.00 3.98 C ATOM 185 OG SER A 13 4.052 2.333 -2.734 1.00 4.05 O ATOM 0 H SER A 13 2.002 4.246 -4.621 1.00 4.74 H new ATOM 0 HA SER A 13 4.615 3.069 -4.835 1.00 3.90 H new ATOM 0 HB2 SER A 13 2.097 2.701 -3.348 1.00 3.98 H new ATOM 0 HB3 SER A 13 2.741 1.145 -3.831 1.00 3.98 H new ATOM 0 HG SER A 13 3.772 1.953 -1.875 1.00 4.05 H new ATOM 191 N PRO A 14 4.492 1.472 -6.842 1.00 2.92 N ATOM 192 CA PRO A 14 4.392 0.520 -7.960 1.00 2.21 C ATOM 193 C PRO A 14 3.908 -0.849 -7.466 1.00 1.26 C ATOM 194 O PRO A 14 3.622 -1.730 -8.253 1.00 1.00 O ATOM 195 CB PRO A 14 5.809 0.411 -8.535 1.00 2.28 C ATOM 196 CG PRO A 14 6.727 1.347 -7.695 1.00 3.21 C ATOM 197 CD PRO A 14 5.855 1.995 -6.605 1.00 3.55 C ATOM 0 HA PRO A 14 3.675 0.856 -8.709 1.00 2.21 H new ATOM 0 HB2 PRO A 14 6.164 -0.618 -8.487 1.00 2.28 H new ATOM 0 HB3 PRO A 14 5.821 0.704 -9.585 1.00 2.28 H new ATOM 0 HG2 PRO A 14 7.544 0.781 -7.246 1.00 3.21 H new ATOM 0 HG3 PRO A 14 7.179 2.110 -8.329 1.00 3.21 H new ATOM 0 HD2 PRO A 14 6.210 1.733 -5.608 1.00 3.55 H new ATOM 0 HD3 PRO A 14 5.878 3.082 -6.676 1.00 3.55 H new ATOM 205 N ALA A 15 3.827 -0.996 -6.171 1.00 1.54 N ATOM 206 CA ALA A 15 3.365 -2.299 -5.606 1.00 1.24 C ATOM 207 C ALA A 15 1.874 -2.225 -5.257 1.00 0.78 C ATOM 208 O ALA A 15 1.267 -3.217 -4.904 1.00 0.98 O ATOM 209 CB ALA A 15 4.168 -2.608 -4.343 1.00 2.26 C ATOM 0 H ALA A 15 4.058 -0.278 -5.484 1.00 1.54 H new ATOM 0 HA ALA A 15 3.516 -3.085 -6.346 1.00 1.24 H new ATOM 0 HB1 ALA A 15 3.836 -3.558 -3.924 1.00 2.26 H new ATOM 0 HB2 ALA A 15 5.227 -2.671 -4.592 1.00 2.26 H new ATOM 0 HB3 ALA A 15 4.014 -1.815 -3.611 1.00 2.26 H new ATOM 215 N ILE A 16 1.315 -1.050 -5.365 1.00 0.92 N ATOM 216 CA ILE A 16 -0.133 -0.895 -5.043 1.00 0.77 C ATOM 217 C ILE A 16 -0.992 -1.360 -6.224 1.00 0.68 C ATOM 218 O ILE A 16 -2.136 -1.733 -6.054 1.00 0.86 O ATOM 219 CB ILE A 16 -0.425 0.578 -4.744 1.00 1.36 C ATOM 220 CG1 ILE A 16 -1.677 0.674 -3.869 1.00 1.22 C ATOM 221 CG2 ILE A 16 -0.667 1.325 -6.058 1.00 1.86 C ATOM 222 CD1 ILE A 16 -1.976 2.147 -3.580 1.00 1.80 C ATOM 0 H ILE A 16 1.793 -0.198 -5.659 1.00 0.92 H new ATOM 0 HA ILE A 16 -0.375 -1.505 -4.173 1.00 0.77 H new ATOM 0 HB ILE A 16 0.423 1.022 -4.223 1.00 1.36 H new ATOM 0 HG12 ILE A 16 -2.525 0.211 -4.374 1.00 1.22 H new ATOM 0 HG13 ILE A 16 -1.526 0.131 -2.936 1.00 1.22 H new ATOM 0 HG21 ILE A 16 -0.875 2.374 -5.847 1.00 1.86 H new ATOM 0 HG22 ILE A 16 0.220 1.250 -6.688 1.00 1.86 H new ATOM 0 HG23 ILE A 16 -1.518 0.883 -6.576 1.00 1.86 H new ATOM 0 HD11 ILE A 16 -2.867 2.222 -2.957 1.00 1.80 H new ATOM 0 HD12 ILE A 16 -1.130 2.595 -3.059 1.00 1.80 H new ATOM 0 HD13 ILE A 16 -2.144 2.675 -4.519 1.00 1.80 H new ATOM 234 N ARG A 17 -0.419 -1.328 -7.396 1.00 0.70 N ATOM 235 CA ARG A 17 -1.187 -1.764 -8.598 1.00 0.98 C ATOM 236 C ARG A 17 -1.353 -3.287 -8.595 1.00 0.91 C ATOM 237 O ARG A 17 -2.432 -3.798 -8.821 1.00 1.26 O ATOM 238 CB ARG A 17 -0.433 -1.336 -9.856 1.00 1.18 C ATOM 239 CG ARG A 17 -0.580 0.175 -10.039 1.00 1.68 C ATOM 240 CD ARG A 17 0.139 0.598 -11.322 1.00 1.92 C ATOM 241 NE ARG A 17 -0.253 1.995 -11.660 1.00 1.98 N ATOM 242 CZ ARG A 17 -0.753 2.255 -12.837 1.00 2.92 C ATOM 243 NH1 ARG A 17 0.038 2.241 -13.874 1.00 3.31 N ATOM 244 NH2 ARG A 17 -2.027 2.518 -12.936 1.00 3.77 N ATOM 0 H ARG A 17 0.538 -1.022 -7.573 1.00 0.70 H new ATOM 0 HA ARG A 17 -2.174 -1.302 -8.581 1.00 0.98 H new ATOM 0 HB2 ARG A 17 0.620 -1.604 -9.772 1.00 1.18 H new ATOM 0 HB3 ARG A 17 -0.827 -1.860 -10.727 1.00 1.18 H new ATOM 0 HG2 ARG A 17 -1.634 0.446 -10.092 1.00 1.68 H new ATOM 0 HG3 ARG A 17 -0.159 0.700 -9.182 1.00 1.68 H new ATOM 0 HD2 ARG A 17 1.219 0.532 -11.188 1.00 1.92 H new ATOM 0 HD3 ARG A 17 -0.122 -0.074 -12.139 1.00 1.92 H new ATOM 0 HE ARG A 17 -0.132 2.742 -10.977 1.00 1.98 H new ATOM 0 HH11 ARG A 17 1.029 2.029 -13.757 1.00 3.31 H new ATOM 0 HH12 ARG A 17 -0.334 2.442 -14.802 1.00 3.31 H new ATOM 0 HH21 ARG A 17 -2.614 2.518 -12.102 1.00 3.77 H new ATOM 0 HH22 ARG A 17 -2.436 2.724 -13.848 1.00 3.77 H new ATOM 258 N ARG A 18 -0.278 -3.980 -8.338 1.00 0.70 N ATOM 259 CA ARG A 18 -0.355 -5.470 -8.314 1.00 1.12 C ATOM 260 C ARG A 18 -1.234 -5.934 -7.149 1.00 0.91 C ATOM 261 O ARG A 18 -1.479 -7.113 -6.982 1.00 1.24 O ATOM 262 CB ARG A 18 1.053 -6.041 -8.149 1.00 1.42 C ATOM 263 CG ARG A 18 1.944 -5.512 -9.276 1.00 1.63 C ATOM 264 CD ARG A 18 3.345 -6.110 -9.129 1.00 2.81 C ATOM 265 NE ARG A 18 4.074 -5.374 -8.058 1.00 4.12 N ATOM 266 CZ ARG A 18 4.918 -6.019 -7.300 1.00 5.22 C ATOM 267 NH1 ARG A 18 6.150 -6.162 -7.706 1.00 5.76 N ATOM 268 NH2 ARG A 18 4.502 -6.501 -6.161 1.00 6.01 N ATOM 0 H ARG A 18 0.642 -3.585 -8.145 1.00 0.70 H new ATOM 0 HA ARG A 18 -0.792 -5.823 -9.248 1.00 1.12 H new ATOM 0 HB2 ARG A 18 1.463 -5.756 -7.180 1.00 1.42 H new ATOM 0 HB3 ARG A 18 1.022 -7.130 -8.174 1.00 1.42 H new ATOM 0 HG2 ARG A 18 1.522 -5.777 -10.245 1.00 1.63 H new ATOM 0 HG3 ARG A 18 1.994 -4.424 -9.237 1.00 1.63 H new ATOM 0 HD2 ARG A 18 3.279 -7.169 -8.880 1.00 2.81 H new ATOM 0 HD3 ARG A 18 3.887 -6.037 -10.072 1.00 2.81 H new ATOM 0 HE ARG A 18 3.915 -4.376 -7.919 1.00 4.12 H new ATOM 0 HH11 ARG A 18 6.440 -5.772 -8.603 1.00 5.76 H new ATOM 0 HH12 ARG A 18 6.823 -6.663 -7.126 1.00 5.76 H new ATOM 0 HH21 ARG A 18 3.531 -6.371 -5.876 1.00 6.01 H new ATOM 0 HH22 ARG A 18 5.148 -7.008 -5.555 1.00 6.01 H new ATOM 282 N LEU A 19 -1.690 -4.994 -6.366 1.00 0.40 N ATOM 283 CA LEU A 19 -2.554 -5.362 -5.206 1.00 0.23 C ATOM 284 C LEU A 19 -4.004 -5.549 -5.666 1.00 0.25 C ATOM 285 O LEU A 19 -4.594 -6.590 -5.460 1.00 0.42 O ATOM 286 CB LEU A 19 -2.489 -4.249 -4.163 1.00 0.27 C ATOM 287 CG LEU A 19 -3.090 -4.756 -2.850 1.00 0.60 C ATOM 288 CD1 LEU A 19 -1.967 -5.277 -1.951 1.00 0.92 C ATOM 289 CD2 LEU A 19 -3.805 -3.602 -2.144 1.00 0.92 C ATOM 0 H LEU A 19 -1.505 -3.997 -6.477 1.00 0.40 H new ATOM 0 HA LEU A 19 -2.198 -6.297 -4.774 1.00 0.23 H new ATOM 0 HB2 LEU A 19 -1.456 -3.939 -4.008 1.00 0.27 H new ATOM 0 HB3 LEU A 19 -3.036 -3.373 -4.513 1.00 0.27 H new ATOM 0 HG LEU A 19 -3.800 -5.558 -3.056 1.00 0.60 H new ATOM 0 HD11 LEU A 19 -2.390 -5.640 -1.014 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -1.447 -6.092 -2.454 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -1.263 -4.471 -1.744 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -4.235 -3.959 -1.208 1.00 0.92 H new ATOM 0 HD22 LEU A 19 -3.091 -2.805 -1.935 1.00 0.92 H new ATOM 0 HD23 LEU A 19 -4.599 -3.219 -2.785 1.00 0.92 H new ATOM 301 N LEU A 20 -4.547 -4.533 -6.278 1.00 0.22 N ATOM 302 CA LEU A 20 -5.957 -4.633 -6.758 1.00 0.40 C ATOM 303 C LEU A 20 -6.105 -5.811 -7.726 1.00 0.55 C ATOM 304 O LEU A 20 -7.152 -6.421 -7.812 1.00 0.64 O ATOM 305 CB LEU A 20 -6.337 -3.336 -7.471 1.00 0.59 C ATOM 306 CG LEU A 20 -6.277 -2.178 -6.474 1.00 0.58 C ATOM 307 CD1 LEU A 20 -5.805 -0.914 -7.198 1.00 0.85 C ATOM 308 CD2 LEU A 20 -7.672 -1.936 -5.897 1.00 0.62 C ATOM 0 H LEU A 20 -4.082 -3.645 -6.466 1.00 0.22 H new ATOM 0 HA LEU A 20 -6.615 -4.794 -5.904 1.00 0.40 H new ATOM 0 HB2 LEU A 20 -5.657 -3.151 -8.302 1.00 0.59 H new ATOM 0 HB3 LEU A 20 -7.339 -3.418 -7.891 1.00 0.59 H new ATOM 0 HG LEU A 20 -5.584 -2.422 -5.669 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -5.760 -0.085 -6.491 1.00 0.85 H new ATOM 0 HD12 LEU A 20 -4.815 -1.085 -7.620 1.00 0.85 H new ATOM 0 HD13 LEU A 20 -6.504 -0.671 -7.999 1.00 0.85 H new ATOM 0 HD21 LEU A 20 -7.633 -1.111 -5.186 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -8.361 -1.687 -6.704 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -8.017 -2.837 -5.390 1.00 0.62 H new ATOM 320 N ALA A 21 -5.049 -6.107 -8.435 1.00 0.66 N ATOM 321 CA ALA A 21 -5.109 -7.241 -9.403 1.00 0.90 C ATOM 322 C ALA A 21 -4.983 -8.577 -8.663 1.00 0.85 C ATOM 323 O ALA A 21 -5.149 -9.630 -9.246 1.00 1.08 O ATOM 324 CB ALA A 21 -3.965 -7.104 -10.406 1.00 1.17 C ATOM 0 H ALA A 21 -4.155 -5.618 -8.387 1.00 0.66 H new ATOM 0 HA ALA A 21 -6.066 -7.217 -9.925 1.00 0.90 H new ATOM 0 HB1 ALA A 21 -4.003 -7.930 -11.116 1.00 1.17 H new ATOM 0 HB2 ALA A 21 -4.062 -6.160 -10.942 1.00 1.17 H new ATOM 0 HB3 ALA A 21 -3.012 -7.125 -9.877 1.00 1.17 H new ATOM 330 N GLU A 22 -4.690 -8.506 -7.393 1.00 0.73 N ATOM 331 CA GLU A 22 -4.549 -9.764 -6.603 1.00 0.89 C ATOM 332 C GLU A 22 -5.873 -10.107 -5.913 1.00 0.77 C ATOM 333 O GLU A 22 -6.304 -11.243 -5.920 1.00 0.81 O ATOM 334 CB GLU A 22 -3.458 -9.574 -5.551 1.00 0.99 C ATOM 335 CG GLU A 22 -2.863 -10.937 -5.193 1.00 1.00 C ATOM 336 CD GLU A 22 -1.805 -11.316 -6.232 1.00 0.49 C ATOM 337 OE1 GLU A 22 -0.936 -10.488 -6.445 1.00 0.92 O ATOM 338 OE2 GLU A 22 -1.928 -12.412 -6.754 1.00 1.59 O ATOM 0 H GLU A 22 -4.543 -7.641 -6.872 1.00 0.73 H new ATOM 0 HA GLU A 22 -4.280 -10.581 -7.273 1.00 0.89 H new ATOM 0 HB2 GLU A 22 -2.680 -8.913 -5.932 1.00 0.99 H new ATOM 0 HB3 GLU A 22 -3.872 -9.099 -4.661 1.00 0.99 H new ATOM 0 HG2 GLU A 22 -2.417 -10.902 -4.199 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -3.648 -11.693 -5.164 1.00 1.00 H new ATOM 345 N HIS A 23 -6.491 -9.114 -5.329 1.00 0.68 N ATOM 346 CA HIS A 23 -7.788 -9.364 -4.634 1.00 0.63 C ATOM 347 C HIS A 23 -8.958 -9.006 -5.556 1.00 0.39 C ATOM 348 O HIS A 23 -10.057 -9.493 -5.386 1.00 0.25 O ATOM 349 CB HIS A 23 -7.852 -8.502 -3.373 1.00 0.66 C ATOM 350 CG HIS A 23 -6.470 -8.462 -2.718 1.00 0.83 C ATOM 351 ND1 HIS A 23 -5.812 -9.469 -2.367 1.00 0.95 N ATOM 352 CD2 HIS A 23 -5.682 -7.376 -2.384 1.00 0.96 C ATOM 353 CE1 HIS A 23 -4.699 -9.136 -1.851 1.00 1.11 C ATOM 354 NE2 HIS A 23 -4.531 -7.816 -1.820 1.00 1.13 N ATOM 0 H HIS A 23 -6.158 -8.150 -5.303 1.00 0.68 H new ATOM 0 HA HIS A 23 -7.857 -10.419 -4.369 1.00 0.63 H new ATOM 0 HB2 HIS A 23 -8.177 -7.493 -3.625 1.00 0.66 H new ATOM 0 HB3 HIS A 23 -8.585 -8.909 -2.677 1.00 0.66 H new ATOM 0 HD2 HIS A 23 -5.943 -6.341 -2.547 1.00 0.96 H new ATOM 0 HE1 HIS A 23 -3.972 -9.844 -1.480 1.00 1.11 H new ATOM 0 HE2 HIS A 23 -3.742 -7.276 -1.464 1.00 1.13 H new ATOM 362 N ASN A 24 -8.694 -8.160 -6.514 1.00 0.47 N ATOM 363 CA ASN A 24 -9.778 -7.758 -7.456 1.00 0.28 C ATOM 364 C ASN A 24 -10.843 -6.942 -6.719 1.00 0.19 C ATOM 365 O ASN A 24 -12.023 -7.088 -6.968 1.00 0.60 O ATOM 366 CB ASN A 24 -10.416 -9.012 -8.050 1.00 0.30 C ATOM 367 CG ASN A 24 -10.875 -8.718 -9.480 1.00 0.69 C ATOM 368 OD1 ASN A 24 -11.985 -8.281 -9.711 1.00 1.69 O ATOM 369 ND2 ASN A 24 -10.052 -8.942 -10.468 1.00 0.87 N ATOM 0 H ASN A 24 -7.784 -7.733 -6.685 1.00 0.47 H new ATOM 0 HA ASN A 24 -9.353 -7.146 -8.251 1.00 0.28 H new ATOM 0 HB2 ASN A 24 -9.700 -9.834 -8.047 1.00 0.30 H new ATOM 0 HB3 ASN A 24 -11.264 -9.326 -7.441 1.00 0.30 H new ATOM 0 HD21 ASN A 24 -10.342 -8.750 -11.427 1.00 0.87 H new ATOM 0 HD22 ASN A 24 -9.119 -9.309 -10.281 1.00 0.87 H new ATOM 376 N LEU A 25 -10.400 -6.099 -5.827 1.00 0.49 N ATOM 377 CA LEU A 25 -11.369 -5.260 -5.059 1.00 0.36 C ATOM 378 C LEU A 25 -11.456 -3.861 -5.675 1.00 0.37 C ATOM 379 O LEU A 25 -10.483 -3.343 -6.187 1.00 0.45 O ATOM 380 CB LEU A 25 -10.894 -5.151 -3.607 1.00 0.49 C ATOM 381 CG LEU A 25 -11.403 -6.364 -2.810 1.00 0.70 C ATOM 382 CD1 LEU A 25 -10.719 -6.383 -1.442 1.00 1.12 C ATOM 383 CD2 LEU A 25 -12.924 -6.265 -2.609 1.00 0.73 C ATOM 0 H LEU A 25 -9.417 -5.954 -5.596 1.00 0.49 H new ATOM 0 HA LEU A 25 -12.355 -5.723 -5.094 1.00 0.36 H new ATOM 0 HB2 LEU A 25 -9.805 -5.109 -3.571 1.00 0.49 H new ATOM 0 HB3 LEU A 25 -11.263 -4.228 -3.160 1.00 0.49 H new ATOM 0 HG LEU A 25 -11.174 -7.277 -3.360 1.00 0.70 H new ATOM 0 HD11 LEU A 25 -11.074 -7.240 -0.870 1.00 1.12 H new ATOM 0 HD12 LEU A 25 -9.640 -6.458 -1.576 1.00 1.12 H new ATOM 0 HD13 LEU A 25 -10.955 -5.465 -0.904 1.00 1.12 H new ATOM 0 HD21 LEU A 25 -13.273 -7.129 -2.044 1.00 0.73 H new ATOM 0 HD22 LEU A 25 -13.160 -5.353 -2.061 1.00 0.73 H new ATOM 0 HD23 LEU A 25 -13.419 -6.243 -3.580 1.00 0.73 H new ATOM 395 N ASP A 26 -12.622 -3.278 -5.612 1.00 0.39 N ATOM 396 CA ASP A 26 -12.790 -1.913 -6.191 1.00 0.49 C ATOM 397 C ASP A 26 -12.494 -0.847 -5.130 1.00 0.54 C ATOM 398 O ASP A 26 -12.909 -0.965 -3.994 1.00 0.80 O ATOM 399 CB ASP A 26 -14.227 -1.752 -6.685 1.00 0.53 C ATOM 400 CG ASP A 26 -14.219 -1.030 -8.034 1.00 1.72 C ATOM 401 OD1 ASP A 26 -13.911 0.150 -8.013 1.00 2.98 O ATOM 402 OD2 ASP A 26 -14.523 -1.699 -9.008 1.00 1.64 O ATOM 0 H ASP A 26 -13.458 -3.682 -5.190 1.00 0.39 H new ATOM 0 HA ASP A 26 -12.094 -1.788 -7.021 1.00 0.49 H new ATOM 0 HB2 ASP A 26 -14.701 -2.728 -6.785 1.00 0.53 H new ATOM 0 HB3 ASP A 26 -14.812 -1.186 -5.960 1.00 0.53 H new ATOM 407 N ALA A 27 -11.780 0.172 -5.525 1.00 0.46 N ATOM 408 CA ALA A 27 -11.447 1.253 -4.553 1.00 0.48 C ATOM 409 C ALA A 27 -12.580 2.285 -4.505 1.00 0.57 C ATOM 410 O ALA A 27 -12.718 3.017 -3.544 1.00 0.55 O ATOM 411 CB ALA A 27 -10.154 1.938 -4.988 1.00 0.49 C ATOM 0 H ALA A 27 -11.416 0.303 -6.469 1.00 0.46 H new ATOM 0 HA ALA A 27 -11.321 0.818 -3.561 1.00 0.48 H new ATOM 0 HB1 ALA A 27 -9.906 2.729 -4.281 1.00 0.49 H new ATOM 0 HB2 ALA A 27 -9.346 1.207 -5.013 1.00 0.49 H new ATOM 0 HB3 ALA A 27 -10.286 2.367 -5.981 1.00 0.49 H new ATOM 417 N SER A 28 -13.368 2.319 -5.545 1.00 0.68 N ATOM 418 CA SER A 28 -14.496 3.295 -5.576 1.00 0.79 C ATOM 419 C SER A 28 -15.406 3.088 -4.362 1.00 0.72 C ATOM 420 O SER A 28 -16.041 4.013 -3.894 1.00 0.76 O ATOM 421 CB SER A 28 -15.301 3.086 -6.858 1.00 0.95 C ATOM 422 OG SER A 28 -14.577 3.806 -7.845 1.00 2.11 O ATOM 0 H SER A 28 -13.282 1.721 -6.367 1.00 0.68 H new ATOM 0 HA SER A 28 -14.096 4.309 -5.548 1.00 0.79 H new ATOM 0 HB2 SER A 28 -15.378 2.029 -7.112 1.00 0.95 H new ATOM 0 HB3 SER A 28 -16.318 3.464 -6.756 1.00 0.95 H new ATOM 0 HG SER A 28 -15.030 3.722 -8.710 1.00 2.11 H new ATOM 428 N ALA A 29 -15.449 1.877 -3.878 1.00 0.65 N ATOM 429 CA ALA A 29 -16.310 1.592 -2.693 1.00 0.64 C ATOM 430 C ALA A 29 -15.556 1.923 -1.401 1.00 0.52 C ATOM 431 O ALA A 29 -16.156 2.138 -0.367 1.00 0.46 O ATOM 432 CB ALA A 29 -16.692 0.113 -2.698 1.00 0.70 C ATOM 0 H ALA A 29 -14.931 1.079 -4.246 1.00 0.65 H new ATOM 0 HA ALA A 29 -17.208 2.207 -2.743 1.00 0.64 H new ATOM 0 HB1 ALA A 29 -17.321 -0.103 -1.835 1.00 0.70 H new ATOM 0 HB2 ALA A 29 -17.238 -0.119 -3.612 1.00 0.70 H new ATOM 0 HB3 ALA A 29 -15.789 -0.496 -2.650 1.00 0.70 H new ATOM 438 N ILE A 30 -14.255 1.956 -1.490 1.00 0.52 N ATOM 439 CA ILE A 30 -13.444 2.271 -0.276 1.00 0.44 C ATOM 440 C ILE A 30 -13.175 3.778 -0.202 1.00 0.43 C ATOM 441 O ILE A 30 -12.765 4.387 -1.170 1.00 0.53 O ATOM 442 CB ILE A 30 -12.107 1.518 -0.354 1.00 0.37 C ATOM 443 CG1 ILE A 30 -12.371 0.018 -0.606 1.00 0.41 C ATOM 444 CG2 ILE A 30 -11.326 1.706 0.960 1.00 0.41 C ATOM 445 CD1 ILE A 30 -13.349 -0.532 0.444 1.00 0.60 C ATOM 0 H ILE A 30 -13.721 1.781 -2.341 1.00 0.52 H new ATOM 0 HA ILE A 30 -13.993 1.963 0.614 1.00 0.44 H new ATOM 0 HB ILE A 30 -11.514 1.917 -1.177 1.00 0.37 H new ATOM 0 HG12 ILE A 30 -12.782 -0.124 -1.606 1.00 0.41 H new ATOM 0 HG13 ILE A 30 -11.433 -0.536 -0.565 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -10.379 1.170 0.900 1.00 0.41 H new ATOM 0 HG22 ILE A 30 -11.133 2.767 1.120 1.00 0.41 H new ATOM 0 HG23 ILE A 30 -11.912 1.314 1.791 1.00 0.41 H new ATOM 0 HD11 ILE A 30 -13.527 -1.591 0.256 1.00 0.60 H new ATOM 0 HD12 ILE A 30 -12.922 -0.407 1.439 1.00 0.60 H new ATOM 0 HD13 ILE A 30 -14.292 0.011 0.383 1.00 0.60 H new ATOM 457 N LYS A 31 -13.413 4.347 0.948 1.00 0.50 N ATOM 458 CA LYS A 31 -13.176 5.812 1.104 1.00 0.49 C ATOM 459 C LYS A 31 -11.738 6.068 1.564 1.00 0.63 C ATOM 460 O LYS A 31 -11.097 5.199 2.121 1.00 0.46 O ATOM 461 CB LYS A 31 -14.150 6.369 2.140 1.00 0.62 C ATOM 462 CG LYS A 31 -15.583 6.093 1.681 1.00 1.11 C ATOM 463 CD LYS A 31 -16.330 7.421 1.543 1.00 2.10 C ATOM 464 CE LYS A 31 -17.770 7.144 1.109 1.00 2.85 C ATOM 465 NZ LYS A 31 -18.583 8.392 1.170 1.00 3.58 N ATOM 0 H LYS A 31 -13.758 3.867 1.779 1.00 0.50 H new ATOM 0 HA LYS A 31 -13.332 6.306 0.145 1.00 0.49 H new ATOM 0 HB2 LYS A 31 -13.971 5.907 3.111 1.00 0.62 H new ATOM 0 HB3 LYS A 31 -13.995 7.441 2.264 1.00 0.62 H new ATOM 0 HG2 LYS A 31 -15.577 5.564 0.728 1.00 1.11 H new ATOM 0 HG3 LYS A 31 -16.090 5.449 2.399 1.00 1.11 H new ATOM 0 HD2 LYS A 31 -16.320 7.958 2.491 1.00 2.10 H new ATOM 0 HD3 LYS A 31 -15.833 8.058 0.811 1.00 2.10 H new ATOM 0 HE2 LYS A 31 -17.780 6.746 0.094 1.00 2.85 H new ATOM 0 HE3 LYS A 31 -18.211 6.384 1.754 1.00 2.85 H new ATOM 0 HZ1 LYS A 31 -19.558 8.186 0.872 1.00 3.58 H new ATOM 0 HZ2 LYS A 31 -18.588 8.756 2.144 1.00 3.58 H new ATOM 0 HZ3 LYS A 31 -18.171 9.106 0.536 1.00 3.58 H new ATOM 479 N GLY A 32 -11.260 7.257 1.320 1.00 1.21 N ATOM 480 CA GLY A 32 -9.867 7.587 1.735 1.00 1.46 C ATOM 481 C GLY A 32 -9.857 8.192 3.139 1.00 1.99 C ATOM 482 O GLY A 32 -10.880 8.605 3.648 1.00 2.99 O ATOM 0 H GLY A 32 -11.769 8.009 0.855 1.00 1.21 H new ATOM 0 HA2 GLY A 32 -9.252 6.687 1.716 1.00 1.46 H new ATOM 0 HA3 GLY A 32 -9.427 8.289 1.027 1.00 1.46 H new ATOM 486 N THR A 33 -8.698 8.232 3.738 1.00 1.65 N ATOM 487 CA THR A 33 -8.601 8.808 5.111 1.00 2.28 C ATOM 488 C THR A 33 -7.264 9.537 5.283 1.00 2.40 C ATOM 489 O THR A 33 -6.786 9.708 6.387 1.00 3.19 O ATOM 490 CB THR A 33 -8.703 7.676 6.137 1.00 2.46 C ATOM 491 OG1 THR A 33 -8.033 6.575 5.531 1.00 1.93 O ATOM 492 CG2 THR A 33 -10.146 7.217 6.323 1.00 2.54 C ATOM 0 H THR A 33 -7.821 7.894 3.341 1.00 1.65 H new ATOM 0 HA THR A 33 -9.413 9.520 5.262 1.00 2.28 H new ATOM 0 HB THR A 33 -8.301 8.005 7.095 1.00 2.46 H new ATOM 0 HG1 THR A 33 -8.056 5.805 6.136 1.00 1.93 H new ATOM 0 HG21 THR A 33 -10.180 6.413 7.058 1.00 2.54 H new ATOM 0 HG22 THR A 33 -10.752 8.053 6.672 1.00 2.54 H new ATOM 0 HG23 THR A 33 -10.538 6.856 5.372 1.00 2.54 H new ATOM 500 N GLY A 34 -6.691 9.949 4.187 1.00 1.74 N ATOM 501 CA GLY A 34 -5.388 10.667 4.266 1.00 1.90 C ATOM 502 C GLY A 34 -5.611 12.144 4.598 1.00 2.18 C ATOM 503 O GLY A 34 -6.649 12.520 5.105 1.00 2.53 O ATOM 0 H GLY A 34 -7.065 9.821 3.247 1.00 1.74 H new ATOM 0 HA2 GLY A 34 -4.758 10.208 5.028 1.00 1.90 H new ATOM 0 HA3 GLY A 34 -4.858 10.577 3.318 1.00 1.90 H new ATOM 507 N VAL A 35 -4.628 12.950 4.303 1.00 2.10 N ATOM 508 CA VAL A 35 -4.764 14.408 4.593 1.00 2.40 C ATOM 509 C VAL A 35 -5.654 15.077 3.539 1.00 2.51 C ATOM 510 O VAL A 35 -5.204 15.923 2.792 1.00 2.44 O ATOM 511 CB VAL A 35 -3.378 15.051 4.574 1.00 2.53 C ATOM 512 CG1 VAL A 35 -3.501 16.525 4.970 1.00 2.91 C ATOM 513 CG2 VAL A 35 -2.477 14.334 5.581 1.00 2.38 C ATOM 0 H VAL A 35 -3.745 12.667 3.878 1.00 2.10 H new ATOM 0 HA VAL A 35 -5.222 14.539 5.573 1.00 2.40 H new ATOM 0 HB VAL A 35 -2.950 14.972 3.575 1.00 2.53 H new ATOM 0 HG11 VAL A 35 -2.515 16.989 4.958 1.00 2.91 H new ATOM 0 HG12 VAL A 35 -4.152 17.039 4.263 1.00 2.91 H new ATOM 0 HG13 VAL A 35 -3.924 16.599 5.972 1.00 2.91 H new ATOM 0 HG21 VAL A 35 -1.487 14.789 5.571 1.00 2.38 H new ATOM 0 HG22 VAL A 35 -2.906 14.420 6.579 1.00 2.38 H new ATOM 0 HG23 VAL A 35 -2.395 13.281 5.311 1.00 2.38 H new ATOM 523 N GLY A 36 -6.898 14.683 3.504 1.00 2.90 N ATOM 524 CA GLY A 36 -7.827 15.288 2.508 1.00 3.05 C ATOM 525 C GLY A 36 -8.836 14.246 2.018 1.00 3.18 C ATOM 526 O GLY A 36 -9.941 14.583 1.642 1.00 3.87 O ATOM 0 H GLY A 36 -7.308 13.976 4.115 1.00 2.90 H new ATOM 0 HA2 GLY A 36 -8.353 16.130 2.957 1.00 3.05 H new ATOM 0 HA3 GLY A 36 -7.260 15.680 1.664 1.00 3.05 H new ATOM 530 N GLY A 37 -8.428 13.000 2.037 1.00 2.56 N ATOM 531 CA GLY A 37 -9.342 11.909 1.577 1.00 2.66 C ATOM 532 C GLY A 37 -8.649 11.042 0.523 1.00 2.39 C ATOM 533 O GLY A 37 -9.294 10.319 -0.211 1.00 2.55 O ATOM 0 H GLY A 37 -7.507 12.693 2.349 1.00 2.56 H new ATOM 0 HA2 GLY A 37 -9.639 11.293 2.426 1.00 2.66 H new ATOM 0 HA3 GLY A 37 -10.253 12.340 1.161 1.00 2.66 H new ATOM 537 N ARG A 38 -7.348 11.131 0.470 1.00 2.04 N ATOM 538 CA ARG A 38 -6.597 10.317 -0.532 1.00 1.81 C ATOM 539 C ARG A 38 -6.748 8.824 -0.222 1.00 1.50 C ATOM 540 O ARG A 38 -7.062 8.445 0.889 1.00 1.57 O ATOM 541 CB ARG A 38 -5.120 10.702 -0.482 1.00 1.81 C ATOM 542 CG ARG A 38 -4.896 11.946 -1.346 1.00 2.07 C ATOM 543 CD ARG A 38 -3.525 12.542 -1.025 1.00 2.41 C ATOM 544 NE ARG A 38 -3.711 13.758 -0.185 1.00 4.13 N ATOM 545 CZ ARG A 38 -2.760 14.651 -0.131 1.00 4.70 C ATOM 546 NH1 ARG A 38 -1.522 14.248 -0.031 1.00 4.44 N ATOM 547 NH2 ARG A 38 -3.078 15.916 -0.177 1.00 5.78 N ATOM 0 H ARG A 38 -6.776 11.725 1.070 1.00 2.04 H new ATOM 0 HA ARG A 38 -6.999 10.512 -1.527 1.00 1.81 H new ATOM 0 HB2 ARG A 38 -4.818 10.899 0.546 1.00 1.81 H new ATOM 0 HB3 ARG A 38 -4.504 9.878 -0.843 1.00 1.81 H new ATOM 0 HG2 ARG A 38 -4.954 11.685 -2.403 1.00 2.07 H new ATOM 0 HG3 ARG A 38 -5.679 12.681 -1.156 1.00 2.07 H new ATOM 0 HD2 ARG A 38 -2.910 11.811 -0.499 1.00 2.41 H new ATOM 0 HD3 ARG A 38 -3.000 12.797 -1.946 1.00 2.41 H new ATOM 0 HE ARG A 38 -4.573 13.892 0.343 1.00 4.13 H new ATOM 0 HH11 ARG A 38 -1.312 13.251 0.004 1.00 4.44 H new ATOM 0 HH12 ARG A 38 -0.765 14.931 0.012 1.00 4.44 H new ATOM 0 HH21 ARG A 38 -4.057 16.193 -0.254 1.00 5.78 H new ATOM 0 HH22 ARG A 38 -2.348 16.627 -0.136 1.00 5.78 H new ATOM 561 N LEU A 39 -6.519 8.006 -1.215 1.00 1.25 N ATOM 562 CA LEU A 39 -6.645 6.534 -0.997 1.00 0.93 C ATOM 563 C LEU A 39 -5.271 5.931 -0.682 1.00 0.74 C ATOM 564 O LEU A 39 -4.427 5.817 -1.549 1.00 0.60 O ATOM 565 CB LEU A 39 -7.220 5.891 -2.269 1.00 0.95 C ATOM 566 CG LEU A 39 -7.115 4.359 -2.180 1.00 0.53 C ATOM 567 CD1 LEU A 39 -7.684 3.879 -0.841 1.00 0.69 C ATOM 568 CD2 LEU A 39 -7.929 3.738 -3.317 1.00 0.93 C ATOM 0 H LEU A 39 -6.253 8.289 -2.158 1.00 1.25 H new ATOM 0 HA LEU A 39 -7.310 6.343 -0.155 1.00 0.93 H new ATOM 0 HB2 LEU A 39 -8.262 6.185 -2.396 1.00 0.95 H new ATOM 0 HB3 LEU A 39 -6.679 6.250 -3.144 1.00 0.95 H new ATOM 0 HG LEU A 39 -6.069 4.061 -2.259 1.00 0.53 H new ATOM 0 HD11 LEU A 39 -7.608 2.793 -0.782 1.00 0.69 H new ATOM 0 HD12 LEU A 39 -7.119 4.328 -0.024 1.00 0.69 H new ATOM 0 HD13 LEU A 39 -8.730 4.174 -0.764 1.00 0.69 H new ATOM 0 HD21 LEU A 39 -7.861 2.652 -3.262 1.00 0.93 H new ATOM 0 HD22 LEU A 39 -8.972 4.041 -3.225 1.00 0.93 H new ATOM 0 HD23 LEU A 39 -7.535 4.078 -4.275 1.00 0.93 H new ATOM 580 N THR A 40 -5.078 5.557 0.554 1.00 0.77 N ATOM 581 CA THR A 40 -3.767 4.960 0.942 1.00 0.59 C ATOM 582 C THR A 40 -3.843 3.430 0.880 1.00 0.32 C ATOM 583 O THR A 40 -4.751 2.875 0.294 1.00 0.33 O ATOM 584 CB THR A 40 -3.420 5.396 2.367 1.00 0.65 C ATOM 585 OG1 THR A 40 -4.600 5.139 3.122 1.00 0.66 O ATOM 586 CG2 THR A 40 -3.203 6.904 2.455 1.00 0.88 C ATOM 0 H THR A 40 -5.763 5.637 1.305 1.00 0.77 H new ATOM 0 HA THR A 40 -2.998 5.303 0.250 1.00 0.59 H new ATOM 0 HB THR A 40 -2.521 4.881 2.705 1.00 0.65 H new ATOM 0 HG1 THR A 40 -4.453 5.395 4.057 1.00 0.66 H new ATOM 0 HG21 THR A 40 -2.958 7.177 3.482 1.00 0.88 H new ATOM 0 HG22 THR A 40 -2.383 7.193 1.798 1.00 0.88 H new ATOM 0 HG23 THR A 40 -4.112 7.421 2.149 1.00 0.88 H new ATOM 594 N ARG A 41 -2.886 2.783 1.488 1.00 0.19 N ATOM 595 CA ARG A 41 -2.888 1.290 1.474 1.00 0.20 C ATOM 596 C ARG A 41 -3.539 0.750 2.753 1.00 0.31 C ATOM 597 O ARG A 41 -4.125 -0.314 2.752 1.00 0.53 O ATOM 598 CB ARG A 41 -1.447 0.790 1.385 1.00 0.32 C ATOM 599 CG ARG A 41 -1.454 -0.722 1.150 1.00 0.57 C ATOM 600 CD ARG A 41 -0.023 -1.197 0.898 1.00 1.14 C ATOM 601 NE ARG A 41 0.081 -1.701 -0.500 1.00 2.74 N ATOM 602 CZ ARG A 41 1.210 -2.204 -0.919 1.00 3.67 C ATOM 603 NH1 ARG A 41 2.127 -1.398 -1.380 1.00 4.65 N ATOM 604 NH2 ARG A 41 1.385 -3.496 -0.861 1.00 3.96 N ATOM 0 H ARG A 41 -2.110 3.217 1.989 1.00 0.19 H new ATOM 0 HA ARG A 41 -3.458 0.939 0.614 1.00 0.20 H new ATOM 0 HB2 ARG A 41 -0.924 1.294 0.572 1.00 0.32 H new ATOM 0 HB3 ARG A 41 -0.910 1.025 2.304 1.00 0.32 H new ATOM 0 HG2 ARG A 41 -1.873 -1.235 2.016 1.00 0.57 H new ATOM 0 HG3 ARG A 41 -2.087 -0.967 0.297 1.00 0.57 H new ATOM 0 HD2 ARG A 41 0.679 -0.378 1.056 1.00 1.14 H new ATOM 0 HD3 ARG A 41 0.242 -1.985 1.603 1.00 1.14 H new ATOM 0 HE ARG A 41 -0.724 -1.653 -1.125 1.00 2.74 H new ATOM 0 HH11 ARG A 41 1.955 -0.393 -1.408 1.00 4.65 H new ATOM 0 HH12 ARG A 41 3.016 -1.773 -1.712 1.00 4.65 H new ATOM 0 HH21 ARG A 41 0.646 -4.095 -0.493 1.00 3.96 H new ATOM 0 HH22 ARG A 41 2.261 -3.907 -1.184 1.00 3.96 H new ATOM 618 N GLU A 42 -3.419 1.496 3.816 1.00 0.43 N ATOM 619 CA GLU A 42 -4.025 1.040 5.103 1.00 0.70 C ATOM 620 C GLU A 42 -5.549 1.198 5.057 1.00 0.57 C ATOM 621 O GLU A 42 -6.233 0.929 6.024 1.00 0.76 O ATOM 622 CB GLU A 42 -3.458 1.883 6.246 1.00 1.00 C ATOM 623 CG GLU A 42 -3.620 1.119 7.561 1.00 1.95 C ATOM 624 CD GLU A 42 -3.875 2.113 8.696 1.00 2.18 C ATOM 625 OE1 GLU A 42 -3.020 2.965 8.873 1.00 1.54 O ATOM 626 OE2 GLU A 42 -4.912 1.964 9.323 1.00 3.29 O ATOM 0 H GLU A 42 -2.934 2.392 3.852 1.00 0.43 H new ATOM 0 HA GLU A 42 -3.786 -0.012 5.261 1.00 0.70 H new ATOM 0 HB2 GLU A 42 -2.405 2.101 6.066 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.977 2.840 6.301 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -4.449 0.415 7.486 1.00 1.95 H new ATOM 0 HG3 GLU A 42 -2.723 0.535 7.768 1.00 1.95 H new ATOM 633 N ASP A 43 -6.047 1.631 3.930 1.00 0.26 N ATOM 634 CA ASP A 43 -7.523 1.814 3.800 1.00 0.20 C ATOM 635 C ASP A 43 -8.148 0.602 3.102 1.00 0.10 C ATOM 636 O ASP A 43 -9.315 0.312 3.280 1.00 0.37 O ATOM 637 CB ASP A 43 -7.801 3.073 2.979 1.00 0.32 C ATOM 638 CG ASP A 43 -7.282 4.296 3.738 1.00 0.60 C ATOM 639 OD1 ASP A 43 -6.663 4.072 4.766 1.00 1.65 O ATOM 640 OD2 ASP A 43 -7.532 5.384 3.247 1.00 0.84 O ATOM 0 H ASP A 43 -5.502 1.864 3.100 1.00 0.26 H new ATOM 0 HA ASP A 43 -7.960 1.913 4.793 1.00 0.20 H new ATOM 0 HB2 ASP A 43 -7.315 3.001 2.006 1.00 0.32 H new ATOM 0 HB3 ASP A 43 -8.871 3.172 2.795 1.00 0.32 H new ATOM 645 N VAL A 44 -7.356 -0.083 2.321 1.00 0.21 N ATOM 646 CA VAL A 44 -7.891 -1.279 1.605 1.00 0.17 C ATOM 647 C VAL A 44 -7.615 -2.549 2.416 1.00 0.29 C ATOM 648 O VAL A 44 -8.490 -3.371 2.601 1.00 0.54 O ATOM 649 CB VAL A 44 -7.209 -1.390 0.242 1.00 0.19 C ATOM 650 CG1 VAL A 44 -7.780 -2.596 -0.508 1.00 0.25 C ATOM 651 CG2 VAL A 44 -7.484 -0.119 -0.564 1.00 0.25 C ATOM 0 H VAL A 44 -6.373 0.130 2.149 1.00 0.21 H new ATOM 0 HA VAL A 44 -8.968 -1.169 1.477 1.00 0.17 H new ATOM 0 HB VAL A 44 -6.134 -1.514 0.376 1.00 0.19 H new ATOM 0 HG11 VAL A 44 -7.297 -2.681 -1.482 1.00 0.25 H new ATOM 0 HG12 VAL A 44 -7.597 -3.503 0.068 1.00 0.25 H new ATOM 0 HG13 VAL A 44 -8.853 -2.464 -0.645 1.00 0.25 H new ATOM 0 HG21 VAL A 44 -6.999 -0.193 -1.537 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -8.559 -0.001 -0.702 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -7.090 0.744 -0.028 1.00 0.25 H new ATOM 661 N GLU A 45 -6.404 -2.683 2.886 1.00 0.64 N ATOM 662 CA GLU A 45 -6.054 -3.887 3.681 1.00 0.82 C ATOM 663 C GLU A 45 -7.153 -4.182 4.711 1.00 0.68 C ATOM 664 O GLU A 45 -7.328 -5.310 5.128 1.00 0.57 O ATOM 665 CB GLU A 45 -4.719 -3.635 4.385 1.00 1.08 C ATOM 666 CG GLU A 45 -4.961 -3.033 5.776 1.00 0.90 C ATOM 667 CD GLU A 45 -3.660 -2.417 6.292 1.00 1.12 C ATOM 668 OE1 GLU A 45 -2.666 -2.597 5.608 1.00 1.64 O ATOM 669 OE2 GLU A 45 -3.731 -1.802 7.343 1.00 1.83 O ATOM 0 H GLU A 45 -5.647 -2.012 2.753 1.00 0.64 H new ATOM 0 HA GLU A 45 -5.966 -4.752 3.023 1.00 0.82 H new ATOM 0 HB2 GLU A 45 -4.165 -4.569 4.476 1.00 1.08 H new ATOM 0 HB3 GLU A 45 -4.107 -2.958 3.789 1.00 1.08 H new ATOM 0 HG2 GLU A 45 -5.742 -2.274 5.726 1.00 0.90 H new ATOM 0 HG3 GLU A 45 -5.310 -3.804 6.463 1.00 0.90 H new ATOM 676 N LYS A 46 -7.870 -3.162 5.096 1.00 0.74 N ATOM 677 CA LYS A 46 -8.961 -3.370 6.093 1.00 0.61 C ATOM 678 C LYS A 46 -10.269 -3.712 5.374 1.00 0.51 C ATOM 679 O LYS A 46 -11.333 -3.284 5.776 1.00 0.76 O ATOM 680 CB LYS A 46 -9.145 -2.091 6.909 1.00 0.51 C ATOM 681 CG LYS A 46 -9.934 -2.417 8.180 1.00 1.18 C ATOM 682 CD LYS A 46 -8.955 -2.718 9.316 1.00 2.13 C ATOM 683 CE LYS A 46 -9.669 -3.543 10.388 1.00 3.14 C ATOM 684 NZ LYS A 46 -8.821 -3.659 11.607 1.00 3.68 N ATOM 0 H LYS A 46 -7.751 -2.203 4.768 1.00 0.74 H new ATOM 0 HA LYS A 46 -8.694 -4.195 6.754 1.00 0.61 H new ATOM 0 HB2 LYS A 46 -8.175 -1.667 7.167 1.00 0.51 H new ATOM 0 HB3 LYS A 46 -9.674 -1.342 6.320 1.00 0.51 H new ATOM 0 HG2 LYS A 46 -10.576 -1.578 8.449 1.00 1.18 H new ATOM 0 HG3 LYS A 46 -10.585 -3.274 8.008 1.00 1.18 H new ATOM 0 HD2 LYS A 46 -8.092 -3.264 8.934 1.00 2.13 H new ATOM 0 HD3 LYS A 46 -8.580 -1.789 9.745 1.00 2.13 H new ATOM 0 HE2 LYS A 46 -10.620 -3.075 10.642 1.00 3.14 H new ATOM 0 HE3 LYS A 46 -9.896 -4.536 10.000 1.00 3.14 H new ATOM 0 HZ1 LYS A 46 -9.320 -4.222 12.325 1.00 3.68 H new ATOM 0 HZ2 LYS A 46 -7.924 -4.126 11.363 1.00 3.68 H new ATOM 0 HZ3 LYS A 46 -8.626 -2.710 11.985 1.00 3.68 H new ATOM 698 N HIS A 47 -10.160 -4.478 4.322 1.00 0.76 N ATOM 699 CA HIS A 47 -11.386 -4.860 3.561 1.00 0.67 C ATOM 700 C HIS A 47 -11.262 -6.301 3.053 1.00 0.89 C ATOM 701 O HIS A 47 -12.085 -6.766 2.290 1.00 1.27 O ATOM 702 CB HIS A 47 -11.549 -3.914 2.373 1.00 0.56 C ATOM 703 CG HIS A 47 -13.038 -3.758 2.051 1.00 0.63 C ATOM 704 ND1 HIS A 47 -13.881 -3.211 2.801 1.00 0.66 N ATOM 705 CD2 HIS A 47 -13.746 -4.154 0.933 1.00 1.11 C ATOM 706 CE1 HIS A 47 -15.039 -3.220 2.276 1.00 1.06 C ATOM 707 NE2 HIS A 47 -15.047 -3.804 1.080 1.00 1.32 N ATOM 0 H HIS A 47 -9.284 -4.853 3.959 1.00 0.76 H new ATOM 0 HA HIS A 47 -12.255 -4.789 4.216 1.00 0.67 H new ATOM 0 HB2 HIS A 47 -11.111 -2.943 2.604 1.00 0.56 H new ATOM 0 HB3 HIS A 47 -11.017 -4.305 1.506 1.00 0.56 H new ATOM 0 HD2 HIS A 47 -13.329 -4.662 0.077 1.00 1.11 H new ATOM 0 HE1 HIS A 47 -15.916 -2.801 2.747 1.00 1.06 H new ATOM 0 HE2 HIS A 47 -15.828 -3.950 0.441 1.00 1.32 H new ATOM 715 N LEU A 48 -10.235 -6.976 3.491 1.00 1.12 N ATOM 716 CA LEU A 48 -10.040 -8.387 3.044 1.00 1.28 C ATOM 717 C LEU A 48 -10.708 -9.351 4.031 1.00 1.67 C ATOM 718 O LEU A 48 -11.426 -8.937 4.917 1.00 2.02 O ATOM 719 CB LEU A 48 -8.543 -8.686 2.974 1.00 1.38 C ATOM 720 CG LEU A 48 -7.816 -7.471 2.393 1.00 1.06 C ATOM 721 CD1 LEU A 48 -6.353 -7.835 2.137 1.00 1.43 C ATOM 722 CD2 LEU A 48 -8.476 -7.075 1.070 1.00 1.62 C ATOM 0 H LEU A 48 -9.528 -6.617 4.133 1.00 1.12 H new ATOM 0 HA LEU A 48 -10.492 -8.519 2.061 1.00 1.28 H new ATOM 0 HB2 LEU A 48 -8.158 -8.914 3.968 1.00 1.38 H new ATOM 0 HB3 LEU A 48 -8.364 -9.564 2.353 1.00 1.38 H new ATOM 0 HG LEU A 48 -7.870 -6.639 3.095 1.00 1.06 H new ATOM 0 HD11 LEU A 48 -5.831 -6.973 1.723 1.00 1.43 H new ATOM 0 HD12 LEU A 48 -5.882 -8.129 3.075 1.00 1.43 H new ATOM 0 HD13 LEU A 48 -6.302 -8.663 1.430 1.00 1.43 H new ATOM 0 HD21 LEU A 48 -7.962 -6.210 0.652 1.00 1.62 H new ATOM 0 HD22 LEU A 48 -8.414 -7.908 0.369 1.00 1.62 H new ATOM 0 HD23 LEU A 48 -9.522 -6.825 1.246 1.00 1.62 H new ATOM 734 N ALA A 49 -10.454 -10.620 3.853 1.00 2.38 N ATOM 735 CA ALA A 49 -11.067 -11.625 4.772 1.00 2.75 C ATOM 736 C ALA A 49 -10.471 -13.012 4.513 1.00 3.62 C ATOM 737 O ALA A 49 -10.967 -13.760 3.694 1.00 4.72 O ATOM 738 CB ALA A 49 -12.576 -11.664 4.533 1.00 3.67 C ATOM 0 H ALA A 49 -9.856 -11.002 3.120 1.00 2.38 H new ATOM 0 HA ALA A 49 -10.861 -11.342 5.804 1.00 2.75 H new ATOM 0 HB1 ALA A 49 -13.031 -12.396 5.200 1.00 3.67 H new ATOM 0 HB2 ALA A 49 -13.001 -10.680 4.729 1.00 3.67 H new ATOM 0 HB3 ALA A 49 -12.773 -11.944 3.498 1.00 3.67 H new ATOM 744 N LYS A 50 -9.419 -13.325 5.218 1.00 3.40 N ATOM 745 CA LYS A 50 -8.777 -14.660 5.025 1.00 4.57 C ATOM 746 C LYS A 50 -9.283 -15.646 6.083 1.00 4.87 C ATOM 747 O LYS A 50 -9.224 -15.377 7.266 1.00 4.28 O ATOM 748 CB LYS A 50 -7.262 -14.509 5.153 1.00 4.99 C ATOM 749 CG LYS A 50 -6.591 -15.819 4.737 1.00 6.33 C ATOM 750 CD LYS A 50 -5.079 -15.691 4.930 1.00 7.11 C ATOM 751 CE LYS A 50 -4.403 -16.983 4.465 1.00 8.39 C ATOM 752 NZ LYS A 50 -3.138 -17.211 5.219 1.00 9.20 N ATOM 0 H LYS A 50 -8.978 -12.723 5.913 1.00 3.40 H new ATOM 0 HA LYS A 50 -9.030 -15.042 4.036 1.00 4.57 H new ATOM 0 HB2 LYS A 50 -6.911 -13.691 4.524 1.00 4.99 H new ATOM 0 HB3 LYS A 50 -6.995 -14.259 6.180 1.00 4.99 H new ATOM 0 HG2 LYS A 50 -6.977 -16.645 5.334 1.00 6.33 H new ATOM 0 HG3 LYS A 50 -6.819 -16.044 3.695 1.00 6.33 H new ATOM 0 HD2 LYS A 50 -4.698 -14.842 4.362 1.00 7.11 H new ATOM 0 HD3 LYS A 50 -4.848 -15.502 5.979 1.00 7.11 H new ATOM 0 HE2 LYS A 50 -5.078 -17.826 4.612 1.00 8.39 H new ATOM 0 HE3 LYS A 50 -4.192 -16.926 3.397 1.00 8.39 H new ATOM 0 HZ1 LYS A 50 -2.692 -18.092 4.891 1.00 9.20 H new ATOM 0 HZ2 LYS A 50 -2.490 -16.414 5.058 1.00 9.20 H new ATOM 0 HZ3 LYS A 50 -3.348 -17.287 6.235 1.00 9.20 H new ATOM 766 N ALA A 51 -9.771 -16.769 5.631 1.00 6.08 N ATOM 767 CA ALA A 51 -10.286 -17.786 6.596 1.00 6.69 C ATOM 768 C ALA A 51 -9.190 -18.163 7.600 1.00 7.09 C ATOM 769 O ALA A 51 -9.064 -17.428 8.565 1.00 6.57 O ATOM 770 CB ALA A 51 -10.722 -19.031 5.827 1.00 8.05 C ATOM 771 OXT ALA A 51 -8.544 -19.165 7.343 1.00 8.03 O ATOM 0 H ALA A 51 -9.836 -17.026 4.646 1.00 6.08 H new ATOM 0 HA ALA A 51 -11.134 -17.369 7.139 1.00 6.69 H new ATOM 0 HB1 ALA A 51 -11.099 -19.777 6.526 1.00 8.05 H new ATOM 0 HB2 ALA A 51 -11.509 -18.766 5.121 1.00 8.05 H new ATOM 0 HB3 ALA A 51 -9.870 -19.440 5.284 1.00 8.05 H new TER 777 ALA A 51