USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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+ 175:sc= -0.137 (180deg=-0.158) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 0.162 (180deg=0.0807) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 170:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 161:sc=-0.00481 (180deg=-0.116) USER MOD Single : A 47 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= -1.17 (180deg=-3.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 30.243 -2.225 -0.674 1.00 9.58 N ATOM 2 CA TYR A 1 28.959 -1.704 -1.228 1.00 8.50 C ATOM 3 C TYR A 1 28.754 -0.258 -0.767 1.00 7.91 C ATOM 4 O TYR A 1 27.756 0.361 -1.080 1.00 6.75 O ATOM 5 CB TYR A 1 27.783 -2.556 -0.752 1.00 8.46 C ATOM 6 CG TYR A 1 26.926 -2.951 -1.956 1.00 8.27 C ATOM 7 CD1 TYR A 1 25.923 -2.115 -2.406 1.00 7.44 C ATOM 8 CD2 TYR A 1 27.142 -4.147 -2.608 1.00 9.18 C ATOM 9 CE1 TYR A 1 25.149 -2.472 -3.492 1.00 7.70 C ATOM 10 CE2 TYR A 1 26.368 -4.503 -3.695 1.00 9.42 C ATOM 11 CZ TYR A 1 25.367 -3.669 -4.145 1.00 8.77 C ATOM 12 OH TYR A 1 24.593 -4.025 -5.230 1.00 9.37 O ATOM 0 H1 TYR A 1 30.342 -3.232 -0.916 1.00 9.58 H new ATOM 0 H2 TYR A 1 31.038 -1.691 -1.080 1.00 9.58 H new ATOM 0 H3 TYR A 1 30.245 -2.115 0.360 1.00 9.58 H new ATOM 0 HA TYR A 1 29.007 -1.746 -2.316 1.00 8.50 H new ATOM 0 HB2 TYR A 1 28.148 -3.448 -0.242 1.00 8.46 H new ATOM 0 HB3 TYR A 1 27.184 -1.999 -0.031 1.00 8.46 H new ATOM 0 HD1 TYR A 1 25.743 -1.175 -1.905 1.00 7.44 H new ATOM 0 HD2 TYR A 1 27.923 -4.810 -2.266 1.00 9.18 H new ATOM 0 HE1 TYR A 1 24.367 -1.810 -3.833 1.00 7.70 H new ATOM 0 HE2 TYR A 1 26.548 -5.442 -4.196 1.00 9.42 H new ATOM 0 HH TYR A 1 24.884 -4.898 -5.567 1.00 9.37 H new ATOM 24 N ALA A 2 29.705 0.250 -0.032 1.00 8.90 N ATOM 25 CA ALA A 2 29.582 1.654 0.459 1.00 8.89 C ATOM 26 C ALA A 2 30.012 2.636 -0.637 1.00 8.73 C ATOM 27 O ALA A 2 30.927 3.414 -0.454 1.00 9.23 O ATOM 28 CB ALA A 2 30.477 1.836 1.684 1.00 10.35 C ATOM 0 H ALA A 2 30.555 -0.240 0.248 1.00 8.90 H new ATOM 0 HA ALA A 2 28.543 1.852 0.724 1.00 8.89 H new ATOM 0 HB1 ALA A 2 30.392 2.860 2.048 1.00 10.35 H new ATOM 0 HB2 ALA A 2 30.166 1.145 2.468 1.00 10.35 H new ATOM 0 HB3 ALA A 2 31.513 1.633 1.411 1.00 10.35 H new ATOM 34 N SER A 3 29.338 2.577 -1.754 1.00 8.24 N ATOM 35 CA SER A 3 29.690 3.499 -2.874 1.00 8.37 C ATOM 36 C SER A 3 28.752 4.704 -2.882 1.00 8.02 C ATOM 37 O SER A 3 28.463 5.279 -1.851 1.00 8.26 O ATOM 38 CB SER A 3 29.552 2.755 -4.196 1.00 8.18 C ATOM 39 OG SER A 3 30.386 1.615 -4.044 1.00 8.99 O ATOM 0 H SER A 3 28.566 1.937 -1.939 1.00 8.24 H new ATOM 0 HA SER A 3 30.715 3.844 -2.740 1.00 8.37 H new ATOM 0 HB2 SER A 3 28.517 2.469 -4.386 1.00 8.18 H new ATOM 0 HB3 SER A 3 29.871 3.373 -5.036 1.00 8.18 H new ATOM 0 HG SER A 3 30.353 1.074 -4.861 1.00 8.99 H new ATOM 45 N LEU A 4 28.297 5.062 -4.050 1.00 7.62 N ATOM 46 CA LEU A 4 27.374 6.222 -4.149 1.00 7.45 C ATOM 47 C LEU A 4 26.104 5.945 -3.344 1.00 6.93 C ATOM 48 O LEU A 4 25.555 4.864 -3.397 1.00 6.90 O ATOM 49 CB LEU A 4 27.010 6.451 -5.617 1.00 7.10 C ATOM 50 CG LEU A 4 27.404 7.875 -6.022 1.00 7.59 C ATOM 51 CD1 LEU A 4 28.928 8.022 -5.946 1.00 8.69 C ATOM 52 CD2 LEU A 4 26.944 8.134 -7.458 1.00 7.81 C ATOM 0 H LEU A 4 28.523 4.604 -4.933 1.00 7.62 H new ATOM 0 HA LEU A 4 27.863 7.110 -3.748 1.00 7.45 H new ATOM 0 HB2 LEU A 4 27.524 5.726 -6.248 1.00 7.10 H new ATOM 0 HB3 LEU A 4 25.941 6.301 -5.766 1.00 7.10 H new ATOM 0 HG LEU A 4 26.934 8.591 -5.348 1.00 7.59 H new ATOM 0 HD11 LEU A 4 29.211 9.035 -6.234 1.00 8.69 H new ATOM 0 HD12 LEU A 4 29.262 7.828 -4.927 1.00 8.69 H new ATOM 0 HD13 LEU A 4 29.397 7.308 -6.623 1.00 8.69 H new ATOM 0 HD21 LEU A 4 27.222 9.146 -7.752 1.00 7.81 H new ATOM 0 HD22 LEU A 4 27.421 7.418 -8.127 1.00 7.81 H new ATOM 0 HD23 LEU A 4 25.861 8.023 -7.519 1.00 7.81 H new ATOM 64 N GLU A 5 25.673 6.928 -2.609 1.00 6.81 N ATOM 65 CA GLU A 5 24.439 6.752 -1.787 1.00 6.35 C ATOM 66 C GLU A 5 23.355 6.032 -2.600 1.00 5.47 C ATOM 67 O GLU A 5 22.586 6.657 -3.303 1.00 5.16 O ATOM 68 CB GLU A 5 23.926 8.124 -1.358 1.00 6.43 C ATOM 69 CG GLU A 5 24.809 8.658 -0.227 1.00 7.61 C ATOM 70 CD GLU A 5 24.376 10.083 0.124 1.00 8.10 C ATOM 71 OE1 GLU A 5 23.215 10.226 0.468 1.00 7.48 O ATOM 72 OE2 GLU A 5 25.232 10.947 0.030 1.00 9.27 O ATOM 0 H GLU A 5 26.117 7.844 -2.539 1.00 6.81 H new ATOM 0 HA GLU A 5 24.676 6.151 -0.909 1.00 6.35 H new ATOM 0 HB2 GLU A 5 23.941 8.812 -2.203 1.00 6.43 H new ATOM 0 HB3 GLU A 5 22.891 8.051 -1.024 1.00 6.43 H new ATOM 0 HG2 GLU A 5 24.726 8.015 0.649 1.00 7.61 H new ATOM 0 HG3 GLU A 5 25.855 8.648 -0.532 1.00 7.61 H new ATOM 79 N GLU A 6 23.319 4.733 -2.481 1.00 5.56 N ATOM 80 CA GLU A 6 22.294 3.955 -3.237 1.00 5.29 C ATOM 81 C GLU A 6 21.080 3.682 -2.344 1.00 5.13 C ATOM 82 O GLU A 6 20.067 3.191 -2.802 1.00 4.93 O ATOM 83 CB GLU A 6 22.907 2.627 -3.685 1.00 6.00 C ATOM 84 CG GLU A 6 23.823 2.871 -4.890 1.00 6.99 C ATOM 85 CD GLU A 6 23.104 2.438 -6.168 1.00 6.97 C ATOM 86 OE1 GLU A 6 23.040 1.236 -6.373 1.00 7.37 O ATOM 87 OE2 GLU A 6 22.658 3.332 -6.868 1.00 6.94 O ATOM 0 H GLU A 6 23.948 4.180 -1.899 1.00 5.56 H new ATOM 0 HA GLU A 6 21.972 4.528 -4.107 1.00 5.29 H new ATOM 0 HB2 GLU A 6 23.474 2.181 -2.868 1.00 6.00 H new ATOM 0 HB3 GLU A 6 22.120 1.921 -3.949 1.00 6.00 H new ATOM 0 HG2 GLU A 6 24.091 3.926 -4.950 1.00 6.99 H new ATOM 0 HG3 GLU A 6 24.752 2.312 -4.774 1.00 6.99 H new ATOM 94 N GLN A 7 21.207 4.007 -1.087 1.00 5.60 N ATOM 95 CA GLN A 7 20.069 3.775 -0.150 1.00 5.63 C ATOM 96 C GLN A 7 18.850 4.594 -0.589 1.00 4.93 C ATOM 97 O GLN A 7 18.965 5.760 -0.907 1.00 5.10 O ATOM 98 CB GLN A 7 20.486 4.200 1.257 1.00 6.48 C ATOM 99 CG GLN A 7 21.581 3.258 1.762 1.00 7.71 C ATOM 100 CD GLN A 7 22.225 3.857 3.014 1.00 8.64 C ATOM 101 OE1 GLN A 7 22.704 4.973 3.005 1.00 8.89 O ATOM 102 NE2 GLN A 7 22.257 3.149 4.110 1.00 9.42 N ATOM 0 H GLN A 7 22.041 4.420 -0.670 1.00 5.60 H new ATOM 0 HA GLN A 7 19.806 2.717 -0.157 1.00 5.63 H new ATOM 0 HB2 GLN A 7 20.849 5.228 1.247 1.00 6.48 H new ATOM 0 HB3 GLN A 7 19.627 4.172 1.928 1.00 6.48 H new ATOM 0 HG2 GLN A 7 21.158 2.279 1.989 1.00 7.71 H new ATOM 0 HG3 GLN A 7 22.334 3.108 0.988 1.00 7.71 H new ATOM 0 HE21 GLN A 7 21.856 2.211 4.123 1.00 9.42 H new ATOM 0 HE22 GLN A 7 22.683 3.534 4.953 1.00 9.42 H new ATOM 111 N ASN A 8 17.708 3.963 -0.597 1.00 4.54 N ATOM 112 CA ASN A 8 16.473 4.691 -1.014 1.00 4.03 C ATOM 113 C ASN A 8 15.248 4.107 -0.301 1.00 3.65 C ATOM 114 O ASN A 8 14.189 4.703 -0.296 1.00 2.65 O ATOM 115 CB ASN A 8 16.298 4.550 -2.525 1.00 4.62 C ATOM 116 CG ASN A 8 15.622 5.809 -3.074 1.00 4.30 C ATOM 117 OD1 ASN A 8 14.889 6.486 -2.380 1.00 3.40 O ATOM 118 ND2 ASN A 8 15.842 6.157 -4.312 1.00 5.37 N ATOM 0 H ASN A 8 17.575 2.986 -0.336 1.00 4.54 H new ATOM 0 HA ASN A 8 16.568 5.743 -0.746 1.00 4.03 H new ATOM 0 HB2 ASN A 8 17.267 4.405 -3.003 1.00 4.62 H new ATOM 0 HB3 ASN A 8 15.695 3.671 -2.753 1.00 4.62 H new ATOM 0 HD21 ASN A 8 15.400 6.994 -4.693 1.00 5.37 H new ATOM 0 HD22 ASN A 8 16.456 5.593 -4.899 1.00 5.37 H new ATOM 125 N ASN A 9 15.420 2.955 0.285 1.00 4.64 N ATOM 126 CA ASN A 9 14.274 2.320 1.000 1.00 4.60 C ATOM 127 C ASN A 9 13.059 2.224 0.072 1.00 4.29 C ATOM 128 O ASN A 9 13.104 2.664 -1.060 1.00 4.38 O ATOM 129 CB ASN A 9 13.918 3.165 2.221 1.00 4.06 C ATOM 130 CG ASN A 9 13.978 2.292 3.477 1.00 5.06 C ATOM 131 OD1 ASN A 9 13.313 1.170 3.500 1.00 5.76 O flip ATOM 132 ND2 ASN A 9 14.631 2.624 4.446 1.00 5.48 N flip ATOM 0 H ASN A 9 16.294 2.429 0.301 1.00 4.64 H new ATOM 0 HA ASN A 9 14.558 1.315 1.313 1.00 4.60 H new ATOM 0 HB2 ASN A 9 14.611 4.002 2.313 1.00 4.06 H new ATOM 0 HB3 ASN A 9 12.920 3.588 2.106 1.00 4.06 H new ATOM 0 HD21 ASN A 9 15.153 3.500 4.433 1.00 5.48 H new ATOM 0 HD22 ASN A 9 14.657 2.026 5.272 1.00 5.48 H new ATOM 139 N ASP A 10 11.998 1.651 0.573 1.00 4.35 N ATOM 140 CA ASP A 10 10.771 1.517 -0.267 1.00 4.22 C ATOM 141 C ASP A 10 9.789 2.651 0.044 1.00 3.00 C ATOM 142 O ASP A 10 9.034 2.579 0.995 1.00 2.58 O ATOM 143 CB ASP A 10 10.107 0.174 0.031 1.00 5.20 C ATOM 144 CG ASP A 10 10.269 -0.152 1.517 1.00 5.54 C ATOM 145 OD1 ASP A 10 9.397 0.265 2.261 1.00 5.03 O ATOM 146 OD2 ASP A 10 11.256 -0.800 1.825 1.00 6.57 O ATOM 0 H ASP A 10 11.926 1.273 1.518 1.00 4.35 H new ATOM 0 HA ASP A 10 11.049 1.571 -1.320 1.00 4.22 H new ATOM 0 HB2 ASP A 10 9.050 0.212 -0.232 1.00 5.20 H new ATOM 0 HB3 ASP A 10 10.558 -0.610 -0.576 1.00 5.20 H new ATOM 151 N ALA A 11 9.820 3.675 -0.764 1.00 3.02 N ATOM 152 CA ALA A 11 8.893 4.822 -0.530 1.00 2.56 C ATOM 153 C ALA A 11 7.441 4.375 -0.732 1.00 2.02 C ATOM 154 O ALA A 11 6.550 4.824 -0.040 1.00 2.18 O ATOM 155 CB ALA A 11 9.223 5.942 -1.515 1.00 3.23 C ATOM 0 H ALA A 11 10.440 3.769 -1.569 1.00 3.02 H new ATOM 0 HA ALA A 11 9.014 5.180 0.492 1.00 2.56 H new ATOM 0 HB1 ALA A 11 8.549 6.783 -1.349 1.00 3.23 H new ATOM 0 HB2 ALA A 11 10.253 6.267 -1.365 1.00 3.23 H new ATOM 0 HB3 ALA A 11 9.103 5.577 -2.535 1.00 3.23 H new ATOM 161 N LEU A 12 7.242 3.498 -1.681 1.00 2.32 N ATOM 162 CA LEU A 12 5.858 3.000 -1.954 1.00 1.73 C ATOM 163 C LEU A 12 5.879 1.483 -2.159 1.00 1.02 C ATOM 164 O LEU A 12 6.926 0.897 -2.337 1.00 1.36 O ATOM 165 CB LEU A 12 5.323 3.674 -3.216 1.00 2.28 C ATOM 166 CG LEU A 12 4.879 5.099 -2.878 1.00 2.72 C ATOM 167 CD1 LEU A 12 5.175 6.014 -4.068 1.00 3.65 C ATOM 168 CD2 LEU A 12 3.375 5.104 -2.601 1.00 2.65 C ATOM 0 H LEU A 12 7.972 3.106 -2.276 1.00 2.32 H new ATOM 0 HA LEU A 12 5.216 3.236 -1.106 1.00 1.73 H new ATOM 0 HB2 LEU A 12 6.094 3.694 -3.986 1.00 2.28 H new ATOM 0 HB3 LEU A 12 4.485 3.105 -3.619 1.00 2.28 H new ATOM 0 HG LEU A 12 5.417 5.454 -1.999 1.00 2.72 H new ATOM 0 HD11 LEU A 12 4.860 7.031 -3.832 1.00 3.65 H new ATOM 0 HD12 LEU A 12 6.245 6.004 -4.277 1.00 3.65 H new ATOM 0 HD13 LEU A 12 4.631 5.660 -4.944 1.00 3.65 H new ATOM 0 HD21 LEU A 12 3.053 6.117 -2.360 1.00 2.65 H new ATOM 0 HD22 LEU A 12 2.841 4.754 -3.485 1.00 2.65 H new ATOM 0 HD23 LEU A 12 3.158 4.444 -1.761 1.00 2.65 H new ATOM 180 N SER A 13 4.721 0.881 -2.126 1.00 0.34 N ATOM 181 CA SER A 13 4.656 -0.600 -2.320 1.00 0.73 C ATOM 182 C SER A 13 4.744 -0.940 -3.841 1.00 0.85 C ATOM 183 O SER A 13 3.866 -0.566 -4.591 1.00 0.78 O ATOM 184 CB SER A 13 3.316 -1.099 -1.779 1.00 1.28 C ATOM 185 OG SER A 13 3.667 -1.868 -0.639 1.00 1.64 O ATOM 0 H SER A 13 3.824 1.343 -1.975 1.00 0.34 H new ATOM 0 HA SER A 13 5.485 -1.076 -1.796 1.00 0.73 H new ATOM 0 HB2 SER A 13 2.660 -0.270 -1.514 1.00 1.28 H new ATOM 0 HB3 SER A 13 2.787 -1.701 -2.518 1.00 1.28 H new ATOM 0 HG SER A 13 2.855 -2.229 -0.225 1.00 1.64 H new ATOM 191 N PRO A 14 5.800 -1.644 -4.282 1.00 1.36 N ATOM 192 CA PRO A 14 5.930 -1.987 -5.708 1.00 1.67 C ATOM 193 C PRO A 14 4.788 -2.906 -6.156 1.00 1.53 C ATOM 194 O PRO A 14 4.727 -3.304 -7.303 1.00 2.22 O ATOM 195 CB PRO A 14 7.273 -2.715 -5.834 1.00 2.18 C ATOM 196 CG PRO A 14 7.877 -2.833 -4.404 1.00 2.24 C ATOM 197 CD PRO A 14 6.908 -2.137 -3.433 1.00 1.78 C ATOM 0 HA PRO A 14 5.885 -1.097 -6.336 1.00 1.67 H new ATOM 0 HB2 PRO A 14 7.134 -3.702 -6.274 1.00 2.18 H new ATOM 0 HB3 PRO A 14 7.947 -2.165 -6.491 1.00 2.18 H new ATOM 0 HG2 PRO A 14 8.009 -3.879 -4.129 1.00 2.24 H new ATOM 0 HG3 PRO A 14 8.861 -2.366 -4.364 1.00 2.24 H new ATOM 0 HD2 PRO A 14 6.545 -2.830 -2.674 1.00 1.78 H new ATOM 0 HD3 PRO A 14 7.397 -1.317 -2.908 1.00 1.78 H new ATOM 205 N ALA A 15 3.906 -3.218 -5.238 1.00 0.89 N ATOM 206 CA ALA A 15 2.761 -4.119 -5.583 1.00 0.75 C ATOM 207 C ALA A 15 1.438 -3.343 -5.562 1.00 0.46 C ATOM 208 O ALA A 15 0.491 -3.717 -6.219 1.00 0.65 O ATOM 209 CB ALA A 15 2.696 -5.250 -4.559 1.00 1.02 C ATOM 0 H ALA A 15 3.928 -2.891 -4.272 1.00 0.89 H new ATOM 0 HA ALA A 15 2.915 -4.521 -6.584 1.00 0.75 H new ATOM 0 HB1 ALA A 15 1.865 -5.913 -4.801 1.00 1.02 H new ATOM 0 HB2 ALA A 15 3.628 -5.814 -4.581 1.00 1.02 H new ATOM 0 HB3 ALA A 15 2.548 -4.831 -3.563 1.00 1.02 H new ATOM 215 N ILE A 16 1.404 -2.275 -4.813 1.00 0.49 N ATOM 216 CA ILE A 16 0.144 -1.472 -4.734 1.00 0.33 C ATOM 217 C ILE A 16 -0.428 -1.219 -6.136 1.00 0.45 C ATOM 218 O ILE A 16 -1.560 -0.802 -6.279 1.00 0.80 O ATOM 219 CB ILE A 16 0.446 -0.132 -4.060 1.00 0.26 C ATOM 220 CG1 ILE A 16 -0.869 0.506 -3.600 1.00 0.43 C ATOM 221 CG2 ILE A 16 1.134 0.795 -5.063 1.00 0.36 C ATOM 222 CD1 ILE A 16 -0.565 1.826 -2.890 1.00 0.26 C ATOM 0 H ILE A 16 2.183 -1.924 -4.257 1.00 0.49 H new ATOM 0 HA ILE A 16 -0.592 -2.028 -4.154 1.00 0.33 H new ATOM 0 HB ILE A 16 1.099 -0.290 -3.202 1.00 0.26 H new ATOM 0 HG12 ILE A 16 -1.521 0.681 -4.456 1.00 0.43 H new ATOM 0 HG13 ILE A 16 -1.399 -0.169 -2.928 1.00 0.43 H new ATOM 0 HG21 ILE A 16 1.351 1.751 -4.586 1.00 0.36 H new ATOM 0 HG22 ILE A 16 2.065 0.339 -5.401 1.00 0.36 H new ATOM 0 HG23 ILE A 16 0.478 0.957 -5.918 1.00 0.36 H new ATOM 0 HD11 ILE A 16 -1.497 2.285 -2.560 1.00 0.26 H new ATOM 0 HD12 ILE A 16 0.072 1.636 -2.026 1.00 0.26 H new ATOM 0 HD13 ILE A 16 -0.052 2.499 -3.577 1.00 0.26 H new ATOM 234 N ARG A 17 0.365 -1.478 -7.137 1.00 0.60 N ATOM 235 CA ARG A 17 -0.121 -1.251 -8.532 1.00 0.90 C ATOM 236 C ARG A 17 -1.057 -2.387 -8.971 1.00 0.64 C ATOM 237 O ARG A 17 -2.215 -2.160 -9.262 1.00 0.72 O ATOM 238 CB ARG A 17 1.079 -1.191 -9.474 1.00 1.33 C ATOM 239 CG ARG A 17 1.896 0.065 -9.166 1.00 1.77 C ATOM 240 CD ARG A 17 3.298 -0.090 -9.758 1.00 3.11 C ATOM 241 NE ARG A 17 3.241 -1.056 -10.891 1.00 4.13 N ATOM 242 CZ ARG A 17 3.777 -0.733 -12.036 1.00 4.76 C ATOM 243 NH1 ARG A 17 3.286 0.278 -12.699 1.00 4.25 N ATOM 244 NH2 ARG A 17 4.785 -1.433 -12.481 1.00 6.02 N ATOM 0 H ARG A 17 1.318 -1.833 -7.055 1.00 0.60 H new ATOM 0 HA ARG A 17 -0.674 -0.312 -8.566 1.00 0.90 H new ATOM 0 HB2 ARG A 17 1.697 -2.081 -9.352 1.00 1.33 H new ATOM 0 HB3 ARG A 17 0.743 -1.176 -10.511 1.00 1.33 H new ATOM 0 HG2 ARG A 17 1.406 0.944 -9.585 1.00 1.77 H new ATOM 0 HG3 ARG A 17 1.958 0.218 -8.089 1.00 1.77 H new ATOM 0 HD2 ARG A 17 3.670 0.875 -10.104 1.00 3.11 H new ATOM 0 HD3 ARG A 17 3.992 -0.444 -8.996 1.00 3.11 H new ATOM 0 HE ARG A 17 2.787 -1.962 -10.773 1.00 4.13 H new ATOM 0 HH11 ARG A 17 2.496 0.801 -12.320 1.00 4.25 H new ATOM 0 HH12 ARG A 17 3.692 0.545 -13.596 1.00 4.25 H new ATOM 0 HH21 ARG A 17 5.141 -2.218 -11.936 1.00 6.02 H new ATOM 0 HH22 ARG A 17 5.216 -1.195 -13.374 1.00 6.02 H new ATOM 258 N ARG A 18 -0.535 -3.582 -9.008 1.00 0.66 N ATOM 259 CA ARG A 18 -1.380 -4.739 -9.436 1.00 0.76 C ATOM 260 C ARG A 18 -2.175 -5.297 -8.249 1.00 0.76 C ATOM 261 O ARG A 18 -3.119 -6.041 -8.430 1.00 1.22 O ATOM 262 CB ARG A 18 -0.478 -5.833 -10.002 1.00 1.14 C ATOM 263 CG ARG A 18 -0.139 -5.499 -11.457 1.00 1.60 C ATOM 264 CD ARG A 18 -1.188 -6.131 -12.374 1.00 2.95 C ATOM 265 NE ARG A 18 -1.052 -5.547 -13.739 1.00 3.61 N ATOM 266 CZ ARG A 18 -1.874 -4.608 -14.119 1.00 4.87 C ATOM 267 NH1 ARG A 18 -1.788 -3.431 -13.561 1.00 5.22 N ATOM 268 NH2 ARG A 18 -2.754 -4.877 -15.044 1.00 6.06 N ATOM 0 H ARG A 18 0.429 -3.809 -8.764 1.00 0.66 H new ATOM 0 HA ARG A 18 -2.084 -4.401 -10.197 1.00 0.76 H new ATOM 0 HB2 ARG A 18 0.435 -5.911 -9.411 1.00 1.14 H new ATOM 0 HB3 ARG A 18 -0.978 -6.800 -9.945 1.00 1.14 H new ATOM 0 HG2 ARG A 18 -0.117 -4.419 -11.599 1.00 1.60 H new ATOM 0 HG3 ARG A 18 0.854 -5.874 -11.707 1.00 1.60 H new ATOM 0 HD2 ARG A 18 -1.053 -7.212 -12.412 1.00 2.95 H new ATOM 0 HD3 ARG A 18 -2.189 -5.948 -11.984 1.00 2.95 H new ATOM 0 HE ARG A 18 -0.323 -5.879 -14.370 1.00 3.61 H new ATOM 0 HH11 ARG A 18 -1.087 -3.258 -12.841 1.00 5.22 H new ATOM 0 HH12 ARG A 18 -2.422 -2.684 -13.845 1.00 5.22 H new ATOM 0 HH21 ARG A 18 -2.791 -5.809 -15.457 1.00 6.06 H new ATOM 0 HH22 ARG A 18 -3.405 -4.155 -15.354 1.00 6.06 H new ATOM 282 N LEU A 19 -1.779 -4.930 -7.063 1.00 0.55 N ATOM 283 CA LEU A 19 -2.507 -5.437 -5.862 1.00 0.50 C ATOM 284 C LEU A 19 -4.015 -5.269 -6.056 1.00 0.40 C ATOM 285 O LEU A 19 -4.798 -6.075 -5.593 1.00 0.35 O ATOM 286 CB LEU A 19 -2.059 -4.651 -4.629 1.00 0.54 C ATOM 287 CG LEU A 19 -2.552 -5.372 -3.372 1.00 0.49 C ATOM 288 CD1 LEU A 19 -1.442 -6.282 -2.844 1.00 0.60 C ATOM 289 CD2 LEU A 19 -2.902 -4.336 -2.303 1.00 0.48 C ATOM 0 H LEU A 19 -0.993 -4.309 -6.872 1.00 0.55 H new ATOM 0 HA LEU A 19 -2.282 -6.495 -5.725 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -0.973 -4.565 -4.612 1.00 0.54 H new ATOM 0 HB3 LEU A 19 -2.459 -3.638 -4.663 1.00 0.54 H new ATOM 0 HG LEU A 19 -3.433 -5.967 -3.612 1.00 0.49 H new ATOM 0 HD11 LEU A 19 -1.789 -6.797 -1.949 1.00 0.60 H new ATOM 0 HD12 LEU A 19 -1.180 -7.016 -3.606 1.00 0.60 H new ATOM 0 HD13 LEU A 19 -0.565 -5.682 -2.600 1.00 0.60 H new ATOM 0 HD21 LEU A 19 -3.254 -4.844 -1.405 1.00 0.48 H new ATOM 0 HD22 LEU A 19 -2.017 -3.747 -2.063 1.00 0.48 H new ATOM 0 HD23 LEU A 19 -3.685 -3.677 -2.678 1.00 0.48 H new ATOM 301 N LEU A 20 -4.391 -4.223 -6.738 1.00 0.49 N ATOM 302 CA LEU A 20 -5.844 -3.988 -6.976 1.00 0.53 C ATOM 303 C LEU A 20 -6.384 -5.020 -7.968 1.00 0.46 C ATOM 304 O LEU A 20 -7.415 -5.622 -7.745 1.00 0.26 O ATOM 305 CB LEU A 20 -6.036 -2.584 -7.544 1.00 0.67 C ATOM 306 CG LEU A 20 -5.613 -1.557 -6.493 1.00 0.97 C ATOM 307 CD1 LEU A 20 -4.972 -0.356 -7.191 1.00 1.29 C ATOM 308 CD2 LEU A 20 -6.849 -1.090 -5.721 1.00 1.20 C ATOM 0 H LEU A 20 -3.762 -3.526 -7.138 1.00 0.49 H new ATOM 0 HA LEU A 20 -6.386 -4.084 -6.035 1.00 0.53 H new ATOM 0 HB2 LEU A 20 -5.443 -2.461 -8.450 1.00 0.67 H new ATOM 0 HB3 LEU A 20 -7.079 -2.430 -7.822 1.00 0.67 H new ATOM 0 HG LEU A 20 -4.897 -2.007 -5.805 1.00 0.97 H new ATOM 0 HD11 LEU A 20 -4.669 0.379 -6.445 1.00 1.29 H new ATOM 0 HD12 LEU A 20 -4.098 -0.685 -7.752 1.00 1.29 H new ATOM 0 HD13 LEU A 20 -5.692 0.095 -7.873 1.00 1.29 H new ATOM 0 HD21 LEU A 20 -6.554 -0.357 -4.970 1.00 1.20 H new ATOM 0 HD22 LEU A 20 -7.559 -0.635 -6.412 1.00 1.20 H new ATOM 0 HD23 LEU A 20 -7.316 -1.944 -5.231 1.00 1.20 H new ATOM 320 N ALA A 21 -5.672 -5.202 -9.047 1.00 0.72 N ATOM 321 CA ALA A 21 -6.125 -6.195 -10.063 1.00 0.78 C ATOM 322 C ALA A 21 -5.814 -7.616 -9.579 1.00 0.75 C ATOM 323 O ALA A 21 -6.269 -8.584 -10.154 1.00 0.78 O ATOM 324 CB ALA A 21 -5.397 -5.933 -11.380 1.00 1.00 C ATOM 0 H ALA A 21 -4.805 -4.712 -9.268 1.00 0.72 H new ATOM 0 HA ALA A 21 -7.201 -6.097 -10.211 1.00 0.78 H new ATOM 0 HB1 ALA A 21 -5.724 -6.656 -12.127 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -5.624 -4.925 -11.727 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -4.322 -6.030 -11.227 1.00 1.00 H new ATOM 330 N GLU A 22 -5.042 -7.707 -8.529 1.00 0.71 N ATOM 331 CA GLU A 22 -4.692 -9.054 -7.991 1.00 0.70 C ATOM 332 C GLU A 22 -5.868 -9.621 -7.184 1.00 0.63 C ATOM 333 O GLU A 22 -6.213 -10.778 -7.320 1.00 0.75 O ATOM 334 CB GLU A 22 -3.462 -8.930 -7.090 1.00 0.72 C ATOM 335 CG GLU A 22 -3.035 -10.325 -6.627 1.00 0.61 C ATOM 336 CD GLU A 22 -1.594 -10.586 -7.068 1.00 1.15 C ATOM 337 OE1 GLU A 22 -0.718 -10.182 -6.320 1.00 1.19 O ATOM 338 OE2 GLU A 22 -1.449 -11.173 -8.127 1.00 2.17 O ATOM 0 H GLU A 22 -4.642 -6.916 -8.025 1.00 0.71 H new ATOM 0 HA GLU A 22 -4.476 -9.729 -8.819 1.00 0.70 H new ATOM 0 HB2 GLU A 22 -2.647 -8.448 -7.631 1.00 0.72 H new ATOM 0 HB3 GLU A 22 -3.689 -8.302 -6.229 1.00 0.72 H new ATOM 0 HG2 GLU A 22 -3.115 -10.401 -5.543 1.00 0.61 H new ATOM 0 HG3 GLU A 22 -3.699 -11.080 -7.049 1.00 0.61 H new ATOM 345 N HIS A 23 -6.457 -8.787 -6.363 1.00 0.45 N ATOM 346 CA HIS A 23 -7.617 -9.251 -5.540 1.00 0.38 C ATOM 347 C HIS A 23 -8.918 -8.671 -6.100 1.00 0.39 C ATOM 348 O HIS A 23 -9.997 -9.027 -5.668 1.00 0.35 O ATOM 349 CB HIS A 23 -7.439 -8.773 -4.099 1.00 0.26 C ATOM 350 CG HIS A 23 -6.092 -9.256 -3.561 1.00 0.39 C ATOM 351 ND1 HIS A 23 -5.709 -10.449 -3.546 1.00 0.61 N ATOM 352 CD2 HIS A 23 -5.059 -8.534 -2.994 1.00 0.51 C ATOM 353 CE1 HIS A 23 -4.551 -10.556 -3.034 1.00 0.77 C ATOM 354 NE2 HIS A 23 -4.057 -9.381 -2.652 1.00 0.73 N ATOM 0 H HIS A 23 -6.188 -7.813 -6.227 1.00 0.45 H new ATOM 0 HA HIS A 23 -7.662 -10.340 -5.569 1.00 0.38 H new ATOM 0 HB2 HIS A 23 -7.490 -7.685 -4.057 1.00 0.26 H new ATOM 0 HB3 HIS A 23 -8.248 -9.154 -3.476 1.00 0.26 H new ATOM 0 HD2 HIS A 23 -5.051 -7.464 -2.847 1.00 0.51 H new ATOM 0 HE1 HIS A 23 -4.027 -11.494 -2.922 1.00 0.77 H new ATOM 0 HE2 HIS A 23 -3.159 -9.172 -2.216 1.00 0.73 H new ATOM 362 N ASN A 24 -8.788 -7.788 -7.052 1.00 0.52 N ATOM 363 CA ASN A 24 -10.006 -7.169 -7.644 1.00 0.68 C ATOM 364 C ASN A 24 -10.650 -6.220 -6.629 1.00 0.93 C ATOM 365 O ASN A 24 -11.858 -6.149 -6.515 1.00 1.39 O ATOM 366 CB ASN A 24 -10.996 -8.273 -8.018 1.00 0.91 C ATOM 367 CG ASN A 24 -11.700 -7.902 -9.324 1.00 1.80 C ATOM 368 OD1 ASN A 24 -12.521 -7.007 -9.368 1.00 2.98 O ATOM 369 ND2 ASN A 24 -11.408 -8.564 -10.411 1.00 1.57 N ATOM 0 H ASN A 24 -7.900 -7.471 -7.442 1.00 0.52 H new ATOM 0 HA ASN A 24 -9.733 -6.603 -8.535 1.00 0.68 H new ATOM 0 HB2 ASN A 24 -10.473 -9.223 -8.131 1.00 0.91 H new ATOM 0 HB3 ASN A 24 -11.729 -8.405 -7.222 1.00 0.91 H new ATOM 0 HD21 ASN A 24 -11.868 -8.329 -11.290 1.00 1.57 H new ATOM 0 HD22 ASN A 24 -10.720 -9.316 -10.381 1.00 1.57 H new ATOM 376 N LEU A 25 -9.822 -5.507 -5.915 1.00 0.93 N ATOM 377 CA LEU A 25 -10.357 -4.560 -4.894 1.00 1.34 C ATOM 378 C LEU A 25 -10.601 -3.184 -5.519 1.00 1.35 C ATOM 379 O LEU A 25 -9.779 -2.297 -5.411 1.00 1.78 O ATOM 380 CB LEU A 25 -9.342 -4.425 -3.758 1.00 1.57 C ATOM 381 CG LEU A 25 -9.637 -5.478 -2.683 1.00 1.65 C ATOM 382 CD1 LEU A 25 -8.391 -5.670 -1.817 1.00 1.74 C ATOM 383 CD2 LEU A 25 -10.793 -5.000 -1.797 1.00 2.13 C ATOM 0 H LEU A 25 -8.805 -5.538 -5.993 1.00 0.93 H new ATOM 0 HA LEU A 25 -11.302 -4.946 -4.511 1.00 1.34 H new ATOM 0 HB2 LEU A 25 -8.330 -4.555 -4.142 1.00 1.57 H new ATOM 0 HB3 LEU A 25 -9.393 -3.425 -3.327 1.00 1.57 H new ATOM 0 HG LEU A 25 -9.910 -6.419 -3.161 1.00 1.65 H new ATOM 0 HD11 LEU A 25 -8.593 -6.418 -1.050 1.00 1.74 H new ATOM 0 HD12 LEU A 25 -7.562 -6.005 -2.441 1.00 1.74 H new ATOM 0 HD13 LEU A 25 -8.129 -4.725 -1.342 1.00 1.74 H new ATOM 0 HD21 LEU A 25 -11.001 -5.750 -1.034 1.00 2.13 H new ATOM 0 HD22 LEU A 25 -10.519 -4.060 -1.317 1.00 2.13 H new ATOM 0 HD23 LEU A 25 -11.682 -4.849 -2.409 1.00 2.13 H new ATOM 395 N ASP A 26 -11.727 -3.036 -6.159 1.00 1.18 N ATOM 396 CA ASP A 26 -12.041 -1.721 -6.789 1.00 1.23 C ATOM 397 C ASP A 26 -12.283 -0.668 -5.704 1.00 0.78 C ATOM 398 O ASP A 26 -13.207 -0.780 -4.923 1.00 0.62 O ATOM 399 CB ASP A 26 -13.295 -1.865 -7.651 1.00 1.54 C ATOM 400 CG ASP A 26 -13.063 -2.950 -8.706 1.00 2.17 C ATOM 401 OD1 ASP A 26 -12.158 -2.748 -9.499 1.00 3.19 O ATOM 402 OD2 ASP A 26 -13.804 -3.917 -8.660 1.00 1.99 O ATOM 0 H ASP A 26 -12.437 -3.759 -6.273 1.00 1.18 H new ATOM 0 HA ASP A 26 -11.202 -1.406 -7.409 1.00 1.23 H new ATOM 0 HB2 ASP A 26 -14.151 -2.125 -7.028 1.00 1.54 H new ATOM 0 HB3 ASP A 26 -13.529 -0.916 -8.134 1.00 1.54 H new ATOM 407 N ALA A 27 -11.443 0.332 -5.675 1.00 0.77 N ATOM 408 CA ALA A 27 -11.604 1.400 -4.644 1.00 0.55 C ATOM 409 C ALA A 27 -13.079 1.802 -4.521 1.00 0.24 C ATOM 410 O ALA A 27 -13.488 2.369 -3.527 1.00 0.56 O ATOM 411 CB ALA A 27 -10.775 2.617 -5.050 1.00 1.04 C ATOM 0 H ALA A 27 -10.658 0.456 -6.315 1.00 0.77 H new ATOM 0 HA ALA A 27 -11.262 1.022 -3.681 1.00 0.55 H new ATOM 0 HB1 ALA A 27 -10.888 3.401 -4.301 1.00 1.04 H new ATOM 0 HB2 ALA A 27 -9.725 2.334 -5.123 1.00 1.04 H new ATOM 0 HB3 ALA A 27 -11.119 2.986 -6.016 1.00 1.04 H new ATOM 417 N SER A 28 -13.844 1.503 -5.535 1.00 0.27 N ATOM 418 CA SER A 28 -15.293 1.860 -5.488 1.00 0.85 C ATOM 419 C SER A 28 -15.935 1.276 -4.226 1.00 1.18 C ATOM 420 O SER A 28 -16.695 1.941 -3.548 1.00 1.44 O ATOM 421 CB SER A 28 -15.988 1.292 -6.724 1.00 1.02 C ATOM 422 OG SER A 28 -16.409 2.442 -7.443 1.00 0.71 O ATOM 0 H SER A 28 -13.535 1.032 -6.385 1.00 0.27 H new ATOM 0 HA SER A 28 -15.398 2.945 -5.470 1.00 0.85 H new ATOM 0 HB2 SER A 28 -15.310 0.678 -7.316 1.00 1.02 H new ATOM 0 HB3 SER A 28 -16.834 0.661 -6.451 1.00 1.02 H new ATOM 0 HG SER A 28 -16.869 2.165 -8.263 1.00 0.71 H new ATOM 428 N ALA A 29 -15.617 0.043 -3.938 1.00 1.25 N ATOM 429 CA ALA A 29 -16.198 -0.598 -2.723 1.00 1.62 C ATOM 430 C ALA A 29 -15.531 -0.036 -1.465 1.00 1.49 C ATOM 431 O ALA A 29 -16.116 -0.028 -0.399 1.00 1.79 O ATOM 432 CB ALA A 29 -15.964 -2.105 -2.791 1.00 1.79 C ATOM 0 H ALA A 29 -14.987 -0.543 -4.485 1.00 1.25 H new ATOM 0 HA ALA A 29 -17.267 -0.390 -2.682 1.00 1.62 H new ATOM 0 HB1 ALA A 29 -16.387 -2.579 -1.905 1.00 1.79 H new ATOM 0 HB2 ALA A 29 -16.445 -2.508 -3.683 1.00 1.79 H new ATOM 0 HB3 ALA A 29 -14.893 -2.305 -2.834 1.00 1.79 H new ATOM 438 N ILE A 30 -14.320 0.425 -1.615 1.00 1.05 N ATOM 439 CA ILE A 30 -13.601 0.992 -0.437 1.00 0.92 C ATOM 440 C ILE A 30 -13.898 2.492 -0.322 1.00 1.13 C ATOM 441 O ILE A 30 -14.673 3.029 -1.090 1.00 1.87 O ATOM 442 CB ILE A 30 -12.090 0.778 -0.619 1.00 0.48 C ATOM 443 CG1 ILE A 30 -11.826 -0.695 -0.997 1.00 0.58 C ATOM 444 CG2 ILE A 30 -11.342 1.136 0.685 1.00 0.41 C ATOM 445 CD1 ILE A 30 -12.491 -1.625 0.024 1.00 0.91 C ATOM 0 H ILE A 30 -13.800 0.435 -2.493 1.00 1.05 H new ATOM 0 HA ILE A 30 -13.936 0.492 0.471 1.00 0.92 H new ATOM 0 HB ILE A 30 -11.726 1.426 -1.416 1.00 0.48 H new ATOM 0 HG12 ILE A 30 -12.215 -0.899 -1.994 1.00 0.58 H new ATOM 0 HG13 ILE A 30 -10.753 -0.884 -1.029 1.00 0.58 H new ATOM 0 HG21 ILE A 30 -10.272 0.981 0.545 1.00 0.41 H new ATOM 0 HG22 ILE A 30 -11.527 2.180 0.936 1.00 0.41 H new ATOM 0 HG23 ILE A 30 -11.698 0.500 1.495 1.00 0.41 H new ATOM 0 HD11 ILE A 30 -12.300 -2.662 -0.250 1.00 0.91 H new ATOM 0 HD12 ILE A 30 -12.081 -1.430 1.015 1.00 0.91 H new ATOM 0 HD13 ILE A 30 -13.566 -1.445 0.034 1.00 0.91 H new ATOM 457 N LYS A 31 -13.275 3.132 0.636 1.00 0.82 N ATOM 458 CA LYS A 31 -13.505 4.600 0.824 1.00 0.92 C ATOM 459 C LYS A 31 -12.167 5.348 0.840 1.00 0.72 C ATOM 460 O LYS A 31 -11.533 5.469 1.870 1.00 0.56 O ATOM 461 CB LYS A 31 -14.230 4.822 2.149 1.00 1.16 C ATOM 462 CG LYS A 31 -15.698 4.420 1.989 1.00 1.78 C ATOM 463 CD LYS A 31 -16.503 5.629 1.509 1.00 1.96 C ATOM 464 CE LYS A 31 -17.715 5.140 0.714 1.00 3.18 C ATOM 465 NZ LYS A 31 -17.309 4.747 -0.665 1.00 4.38 N ATOM 0 H LYS A 31 -12.621 2.706 1.293 1.00 0.82 H new ATOM 0 HA LYS A 31 -14.109 4.980 -0.000 1.00 0.92 H new ATOM 0 HB2 LYS A 31 -13.762 4.232 2.937 1.00 1.16 H new ATOM 0 HB3 LYS A 31 -14.157 5.868 2.447 1.00 1.16 H new ATOM 0 HG2 LYS A 31 -15.787 3.602 1.274 1.00 1.78 H new ATOM 0 HG3 LYS A 31 -16.094 4.059 2.938 1.00 1.78 H new ATOM 0 HD2 LYS A 31 -16.828 6.226 2.361 1.00 1.96 H new ATOM 0 HD3 LYS A 31 -15.880 6.273 0.887 1.00 1.96 H new ATOM 0 HE2 LYS A 31 -18.172 4.290 1.221 1.00 3.18 H new ATOM 0 HE3 LYS A 31 -18.469 5.926 0.668 1.00 3.18 H new ATOM 0 HZ1 LYS A 31 -18.004 4.079 -1.054 1.00 4.38 H new ATOM 0 HZ2 LYS A 31 -17.266 5.593 -1.269 1.00 4.38 H new ATOM 0 HZ3 LYS A 31 -16.373 4.295 -0.636 1.00 4.38 H new ATOM 479 N GLY A 32 -11.770 5.832 -0.304 1.00 1.16 N ATOM 480 CA GLY A 32 -10.480 6.575 -0.377 1.00 1.14 C ATOM 481 C GLY A 32 -10.709 8.063 -0.107 1.00 1.64 C ATOM 482 O GLY A 32 -11.504 8.702 -0.768 1.00 2.21 O ATOM 0 H GLY A 32 -12.277 5.747 -1.185 1.00 1.16 H new ATOM 0 HA2 GLY A 32 -9.777 6.170 0.351 1.00 1.14 H new ATOM 0 HA3 GLY A 32 -10.031 6.442 -1.361 1.00 1.14 H new ATOM 486 N THR A 33 -10.006 8.584 0.861 1.00 1.56 N ATOM 487 CA THR A 33 -10.170 10.032 1.187 1.00 2.17 C ATOM 488 C THR A 33 -8.837 10.624 1.655 1.00 1.83 C ATOM 489 O THR A 33 -8.807 11.574 2.409 1.00 1.90 O ATOM 490 CB THR A 33 -11.214 10.180 2.298 1.00 2.87 C ATOM 491 OG1 THR A 33 -10.742 9.349 3.354 1.00 2.65 O ATOM 492 CG2 THR A 33 -12.559 9.587 1.888 1.00 3.18 C ATOM 0 H THR A 33 -9.332 8.078 1.435 1.00 1.56 H new ATOM 0 HA THR A 33 -10.498 10.566 0.295 1.00 2.17 H new ATOM 0 HB THR A 33 -11.344 11.233 2.547 1.00 2.87 H new ATOM 0 HG1 THR A 33 -11.365 9.394 4.109 1.00 2.65 H new ATOM 0 HG21 THR A 33 -13.274 9.711 2.701 1.00 3.18 H new ATOM 0 HG22 THR A 33 -12.927 10.100 1.000 1.00 3.18 H new ATOM 0 HG23 THR A 33 -12.438 8.526 1.670 1.00 3.18 H new ATOM 500 N GLY A 34 -7.761 10.046 1.194 1.00 1.58 N ATOM 501 CA GLY A 34 -6.423 10.561 1.599 1.00 1.26 C ATOM 502 C GLY A 34 -6.054 11.792 0.769 1.00 1.80 C ATOM 503 O GLY A 34 -6.891 12.365 0.099 1.00 2.55 O ATOM 0 H GLY A 34 -7.750 9.247 0.560 1.00 1.58 H new ATOM 0 HA2 GLY A 34 -6.430 10.817 2.658 1.00 1.26 H new ATOM 0 HA3 GLY A 34 -5.671 9.784 1.464 1.00 1.26 H new ATOM 507 N VAL A 35 -4.808 12.172 0.830 1.00 1.58 N ATOM 508 CA VAL A 35 -4.367 13.365 0.048 1.00 2.35 C ATOM 509 C VAL A 35 -4.921 13.293 -1.379 1.00 2.83 C ATOM 510 O VAL A 35 -4.980 12.235 -1.972 1.00 3.63 O ATOM 511 CB VAL A 35 -2.842 13.397 0.002 1.00 2.40 C ATOM 512 CG1 VAL A 35 -2.388 14.586 -0.847 1.00 3.36 C ATOM 513 CG2 VAL A 35 -2.299 13.558 1.424 1.00 1.97 C ATOM 0 H VAL A 35 -4.081 11.715 1.381 1.00 1.58 H new ATOM 0 HA VAL A 35 -4.742 14.269 0.527 1.00 2.35 H new ATOM 0 HB VAL A 35 -2.468 12.470 -0.433 1.00 2.40 H new ATOM 0 HG11 VAL A 35 -1.299 14.613 -0.883 1.00 3.36 H new ATOM 0 HG12 VAL A 35 -2.782 14.483 -1.858 1.00 3.36 H new ATOM 0 HG13 VAL A 35 -2.759 15.511 -0.406 1.00 3.36 H new ATOM 0 HG21 VAL A 35 -1.210 13.581 1.397 1.00 1.97 H new ATOM 0 HG22 VAL A 35 -2.671 14.488 1.853 1.00 1.97 H new ATOM 0 HG23 VAL A 35 -2.629 12.719 2.037 1.00 1.97 H new ATOM 523 N GLY A 36 -5.313 14.424 -1.899 1.00 2.81 N ATOM 524 CA GLY A 36 -5.864 14.439 -3.284 1.00 3.20 C ATOM 525 C GLY A 36 -6.957 13.378 -3.435 1.00 2.74 C ATOM 526 O GLY A 36 -7.284 12.972 -4.532 1.00 3.21 O ATOM 0 H GLY A 36 -5.277 15.329 -1.431 1.00 2.81 H new ATOM 0 HA2 GLY A 36 -6.271 15.425 -3.509 1.00 3.20 H new ATOM 0 HA3 GLY A 36 -5.065 14.252 -4.002 1.00 3.20 H new ATOM 530 N GLY A 37 -7.498 12.951 -2.327 1.00 1.96 N ATOM 531 CA GLY A 37 -8.570 11.918 -2.386 1.00 1.47 C ATOM 532 C GLY A 37 -8.000 10.585 -2.876 1.00 1.28 C ATOM 533 O GLY A 37 -8.707 9.599 -2.961 1.00 1.11 O ATOM 0 H GLY A 37 -7.247 13.269 -1.391 1.00 1.96 H new ATOM 0 HA2 GLY A 37 -9.015 11.790 -1.399 1.00 1.47 H new ATOM 0 HA3 GLY A 37 -9.366 12.248 -3.054 1.00 1.47 H new ATOM 537 N ARG A 38 -6.733 10.582 -3.187 1.00 1.79 N ATOM 538 CA ARG A 38 -6.101 9.319 -3.673 1.00 1.65 C ATOM 539 C ARG A 38 -6.306 8.196 -2.651 1.00 1.21 C ATOM 540 O ARG A 38 -6.441 8.445 -1.469 1.00 1.20 O ATOM 541 CB ARG A 38 -4.606 9.557 -3.877 1.00 1.90 C ATOM 542 CG ARG A 38 -4.293 9.524 -5.374 1.00 2.92 C ATOM 543 CD ARG A 38 -2.844 9.967 -5.594 1.00 2.94 C ATOM 544 NE ARG A 38 -2.662 11.332 -5.025 1.00 1.98 N ATOM 545 CZ ARG A 38 -2.072 12.250 -5.741 1.00 2.61 C ATOM 546 NH1 ARG A 38 -1.048 11.916 -6.477 1.00 3.18 N ATOM 547 NH2 ARG A 38 -2.525 13.473 -5.696 1.00 3.19 N ATOM 0 H ARG A 38 -6.112 11.389 -3.127 1.00 1.79 H new ATOM 0 HA ARG A 38 -6.564 9.025 -4.615 1.00 1.65 H new ATOM 0 HB2 ARG A 38 -4.317 10.519 -3.454 1.00 1.90 H new ATOM 0 HB3 ARG A 38 -4.029 8.793 -3.355 1.00 1.90 H new ATOM 0 HG2 ARG A 38 -4.442 8.518 -5.767 1.00 2.92 H new ATOM 0 HG3 ARG A 38 -4.973 10.182 -5.915 1.00 2.92 H new ATOM 0 HD2 ARG A 38 -2.159 9.266 -5.117 1.00 2.94 H new ATOM 0 HD3 ARG A 38 -2.608 9.968 -6.658 1.00 2.94 H new ATOM 0 HE ARG A 38 -2.995 11.547 -4.085 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -0.720 10.950 -6.487 1.00 3.18 H new ATOM 0 HH12 ARG A 38 -0.575 12.621 -7.043 1.00 3.18 H new ATOM 0 HH21 ARG A 38 -3.327 13.698 -5.108 1.00 3.19 H new ATOM 0 HH22 ARG A 38 -2.077 14.204 -6.249 1.00 3.19 H new ATOM 561 N LEU A 39 -6.327 6.981 -3.129 1.00 1.00 N ATOM 562 CA LEU A 39 -6.522 5.830 -2.197 1.00 0.58 C ATOM 563 C LEU A 39 -5.187 5.455 -1.544 1.00 0.38 C ATOM 564 O LEU A 39 -4.191 5.280 -2.217 1.00 0.39 O ATOM 565 CB LEU A 39 -7.070 4.635 -2.992 1.00 0.65 C ATOM 566 CG LEU A 39 -7.206 3.403 -2.078 1.00 0.52 C ATOM 567 CD1 LEU A 39 -8.115 3.739 -0.892 1.00 0.49 C ATOM 568 CD2 LEU A 39 -7.833 2.259 -2.875 1.00 0.90 C ATOM 0 H LEU A 39 -6.219 6.736 -4.113 1.00 1.00 H new ATOM 0 HA LEU A 39 -7.228 6.106 -1.414 1.00 0.58 H new ATOM 0 HB2 LEU A 39 -8.040 4.888 -3.420 1.00 0.65 H new ATOM 0 HB3 LEU A 39 -6.404 4.407 -3.824 1.00 0.65 H new ATOM 0 HG LEU A 39 -6.222 3.112 -1.712 1.00 0.52 H new ATOM 0 HD11 LEU A 39 -8.209 2.865 -0.247 1.00 0.49 H new ATOM 0 HD12 LEU A 39 -7.683 4.564 -0.325 1.00 0.49 H new ATOM 0 HD13 LEU A 39 -9.100 4.027 -1.259 1.00 0.49 H new ATOM 0 HD21 LEU A 39 -7.933 1.382 -2.235 1.00 0.90 H new ATOM 0 HD22 LEU A 39 -8.817 2.561 -3.233 1.00 0.90 H new ATOM 0 HD23 LEU A 39 -7.196 2.017 -3.726 1.00 0.90 H new ATOM 580 N THR A 40 -5.198 5.340 -0.243 1.00 0.38 N ATOM 581 CA THR A 40 -3.939 4.978 0.473 1.00 0.43 C ATOM 582 C THR A 40 -3.900 3.471 0.748 1.00 0.33 C ATOM 583 O THR A 40 -4.737 2.729 0.273 1.00 0.21 O ATOM 584 CB THR A 40 -3.879 5.741 1.798 1.00 0.67 C ATOM 585 OG1 THR A 40 -5.003 5.272 2.537 1.00 0.81 O ATOM 586 CG2 THR A 40 -4.123 7.234 1.597 1.00 0.72 C ATOM 0 H THR A 40 -6.015 5.479 0.351 1.00 0.38 H new ATOM 0 HA THR A 40 -3.084 5.244 -0.148 1.00 0.43 H new ATOM 0 HB THR A 40 -2.907 5.593 2.269 1.00 0.67 H new ATOM 0 HG1 THR A 40 -4.945 5.594 3.461 1.00 0.81 H new ATOM 0 HG21 THR A 40 -4.073 7.744 2.559 1.00 0.72 H new ATOM 0 HG22 THR A 40 -3.362 7.641 0.931 1.00 0.72 H new ATOM 0 HG23 THR A 40 -5.109 7.386 1.157 1.00 0.72 H new ATOM 594 N ARG A 41 -2.928 3.053 1.512 1.00 0.42 N ATOM 595 CA ARG A 41 -2.813 1.599 1.832 1.00 0.40 C ATOM 596 C ARG A 41 -3.417 1.310 3.211 1.00 0.42 C ATOM 597 O ARG A 41 -3.855 0.210 3.480 1.00 0.42 O ATOM 598 CB ARG A 41 -1.336 1.205 1.829 1.00 0.49 C ATOM 599 CG ARG A 41 -1.222 -0.319 1.881 1.00 0.48 C ATOM 600 CD ARG A 41 -0.196 -0.708 2.949 1.00 1.08 C ATOM 601 NE ARG A 41 0.129 -2.155 2.803 1.00 0.66 N ATOM 602 CZ ARG A 41 -0.839 -3.027 2.758 1.00 1.75 C ATOM 603 NH1 ARG A 41 -1.920 -2.808 3.456 1.00 2.90 N ATOM 604 NH2 ARG A 41 -0.695 -4.091 2.015 1.00 2.67 N ATOM 0 H ARG A 41 -2.212 3.650 1.927 1.00 0.42 H new ATOM 0 HA ARG A 41 -3.355 1.021 1.084 1.00 0.40 H new ATOM 0 HB2 ARG A 41 -0.847 1.588 0.933 1.00 0.49 H new ATOM 0 HB3 ARG A 41 -0.827 1.649 2.684 1.00 0.49 H new ATOM 0 HG2 ARG A 41 -2.191 -0.761 2.112 1.00 0.48 H new ATOM 0 HG3 ARG A 41 -0.918 -0.707 0.909 1.00 0.48 H new ATOM 0 HD2 ARG A 41 0.707 -0.106 2.841 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -0.594 -0.510 3.944 1.00 1.08 H new ATOM 0 HE ARG A 41 1.100 -2.460 2.739 1.00 0.66 H new ATOM 0 HH11 ARG A 41 -1.998 -1.965 4.025 1.00 2.90 H new ATOM 0 HH12 ARG A 41 -2.687 -3.480 3.432 1.00 2.90 H new ATOM 0 HH21 ARG A 41 0.164 -4.229 1.482 1.00 2.67 H new ATOM 0 HH22 ARG A 41 -1.441 -4.784 1.967 1.00 2.67 H new ATOM 618 N GLU A 42 -3.425 2.306 4.054 1.00 0.46 N ATOM 619 CA GLU A 42 -3.994 2.105 5.419 1.00 0.49 C ATOM 620 C GLU A 42 -5.521 1.993 5.349 1.00 0.44 C ATOM 621 O GLU A 42 -6.171 1.721 6.339 1.00 0.46 O ATOM 622 CB GLU A 42 -3.610 3.294 6.299 1.00 0.53 C ATOM 623 CG GLU A 42 -2.154 3.137 6.746 1.00 0.83 C ATOM 624 CD GLU A 42 -1.745 4.353 7.578 1.00 1.59 C ATOM 625 OE1 GLU A 42 -2.013 4.310 8.767 1.00 1.74 O ATOM 626 OE2 GLU A 42 -1.188 5.258 6.976 1.00 2.56 O ATOM 0 H GLU A 42 -3.067 3.241 3.861 1.00 0.46 H new ATOM 0 HA GLU A 42 -3.595 1.183 5.841 1.00 0.49 H new ATOM 0 HB2 GLU A 42 -3.736 4.226 5.748 1.00 0.53 H new ATOM 0 HB3 GLU A 42 -4.266 3.346 7.168 1.00 0.53 H new ATOM 0 HG2 GLU A 42 -2.038 2.226 7.332 1.00 0.83 H new ATOM 0 HG3 GLU A 42 -1.503 3.042 5.877 1.00 0.83 H new ATOM 633 N ASP A 43 -6.060 2.203 4.180 1.00 0.47 N ATOM 634 CA ASP A 43 -7.543 2.111 4.030 1.00 0.45 C ATOM 635 C ASP A 43 -7.940 0.713 3.547 1.00 0.52 C ATOM 636 O ASP A 43 -8.734 0.039 4.174 1.00 0.81 O ATOM 637 CB ASP A 43 -8.009 3.152 3.015 1.00 0.38 C ATOM 638 CG ASP A 43 -8.178 4.502 3.716 1.00 0.59 C ATOM 639 OD1 ASP A 43 -7.497 4.684 4.711 1.00 1.20 O ATOM 640 OD2 ASP A 43 -8.980 5.274 3.216 1.00 1.26 O ATOM 0 H ASP A 43 -5.546 2.432 3.329 1.00 0.47 H new ATOM 0 HA ASP A 43 -8.013 2.297 4.996 1.00 0.45 H new ATOM 0 HB2 ASP A 43 -7.284 3.238 2.206 1.00 0.38 H new ATOM 0 HB3 ASP A 43 -8.953 2.842 2.566 1.00 0.38 H new ATOM 645 N VAL A 44 -7.379 0.307 2.441 1.00 0.38 N ATOM 646 CA VAL A 44 -7.711 -1.046 1.906 1.00 0.40 C ATOM 647 C VAL A 44 -7.444 -2.113 2.972 1.00 0.57 C ATOM 648 O VAL A 44 -8.054 -3.163 2.972 1.00 0.60 O ATOM 649 CB VAL A 44 -6.844 -1.325 0.680 1.00 0.48 C ATOM 650 CG1 VAL A 44 -7.379 -2.564 -0.043 1.00 0.45 C ATOM 651 CG2 VAL A 44 -6.906 -0.124 -0.265 1.00 0.51 C ATOM 0 H VAL A 44 -6.712 0.846 1.889 1.00 0.38 H new ATOM 0 HA VAL A 44 -8.765 -1.076 1.631 1.00 0.40 H new ATOM 0 HB VAL A 44 -5.813 -1.496 0.989 1.00 0.48 H new ATOM 0 HG11 VAL A 44 -6.764 -2.768 -0.919 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -7.347 -3.421 0.630 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -8.408 -2.387 -0.356 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -6.288 -0.319 -1.142 1.00 0.51 H new ATOM 0 HG22 VAL A 44 -7.937 0.041 -0.577 1.00 0.51 H new ATOM 0 HG23 VAL A 44 -6.536 0.763 0.249 1.00 0.51 H new ATOM 661 N GLU A 45 -6.535 -1.816 3.860 1.00 0.70 N ATOM 662 CA GLU A 45 -6.209 -2.799 4.935 1.00 0.89 C ATOM 663 C GLU A 45 -7.462 -3.117 5.760 1.00 0.89 C ATOM 664 O GLU A 45 -7.862 -4.258 5.870 1.00 0.89 O ATOM 665 CB GLU A 45 -5.137 -2.204 5.846 1.00 1.05 C ATOM 666 CG GLU A 45 -4.639 -3.285 6.808 1.00 1.33 C ATOM 667 CD GLU A 45 -3.626 -2.671 7.775 1.00 1.73 C ATOM 668 OE1 GLU A 45 -3.509 -1.457 7.740 1.00 2.29 O ATOM 669 OE2 GLU A 45 -3.024 -3.451 8.496 1.00 2.02 O ATOM 0 H GLU A 45 -6.007 -0.944 3.889 1.00 0.70 H new ATOM 0 HA GLU A 45 -5.843 -3.720 4.481 1.00 0.89 H new ATOM 0 HB2 GLU A 45 -4.309 -1.820 5.251 1.00 1.05 H new ATOM 0 HB3 GLU A 45 -5.544 -1.362 6.405 1.00 1.05 H new ATOM 0 HG2 GLU A 45 -5.477 -3.710 7.361 1.00 1.33 H new ATOM 0 HG3 GLU A 45 -4.179 -4.101 6.250 1.00 1.33 H new ATOM 676 N LYS A 46 -8.054 -2.097 6.320 1.00 0.94 N ATOM 677 CA LYS A 46 -9.281 -2.323 7.142 1.00 0.97 C ATOM 678 C LYS A 46 -10.286 -3.188 6.372 1.00 0.73 C ATOM 679 O LYS A 46 -11.246 -3.678 6.934 1.00 0.71 O ATOM 680 CB LYS A 46 -9.918 -0.974 7.472 1.00 0.99 C ATOM 681 CG LYS A 46 -9.108 -0.293 8.578 1.00 1.31 C ATOM 682 CD LYS A 46 -9.777 1.033 8.947 1.00 1.78 C ATOM 683 CE LYS A 46 -10.706 0.810 10.142 1.00 1.87 C ATOM 684 NZ LYS A 46 -9.916 0.676 11.398 1.00 1.82 N ATOM 0 H LYS A 46 -7.747 -1.127 6.247 1.00 0.94 H new ATOM 0 HA LYS A 46 -9.005 -2.840 8.061 1.00 0.97 H new ATOM 0 HB2 LYS A 46 -9.945 -0.344 6.583 1.00 0.99 H new ATOM 0 HB3 LYS A 46 -10.950 -1.114 7.794 1.00 0.99 H new ATOM 0 HG2 LYS A 46 -9.049 -0.940 9.453 1.00 1.31 H new ATOM 0 HG3 LYS A 46 -8.086 -0.117 8.242 1.00 1.31 H new ATOM 0 HD2 LYS A 46 -9.022 1.780 9.192 1.00 1.78 H new ATOM 0 HD3 LYS A 46 -10.342 1.418 8.098 1.00 1.78 H new ATOM 0 HE2 LYS A 46 -11.402 1.644 10.230 1.00 1.87 H new ATOM 0 HE3 LYS A 46 -11.303 -0.088 9.983 1.00 1.87 H new ATOM 0 HZ1 LYS A 46 -10.534 0.847 12.217 1.00 1.82 H new ATOM 0 HZ2 LYS A 46 -9.520 -0.284 11.458 1.00 1.82 H new ATOM 0 HZ3 LYS A 46 -9.142 1.371 11.397 1.00 1.82 H new ATOM 698 N HIS A 47 -10.044 -3.358 5.100 1.00 0.68 N ATOM 699 CA HIS A 47 -10.976 -4.191 4.284 1.00 0.49 C ATOM 700 C HIS A 47 -10.559 -5.663 4.349 1.00 0.84 C ATOM 701 O HIS A 47 -11.351 -6.520 4.686 1.00 1.29 O ATOM 702 CB HIS A 47 -10.939 -3.713 2.836 1.00 0.32 C ATOM 703 CG HIS A 47 -12.303 -3.961 2.189 1.00 0.27 C ATOM 704 ND1 HIS A 47 -13.366 -3.377 2.508 1.00 0.21 N ATOM 705 CD2 HIS A 47 -12.654 -4.829 1.174 1.00 0.32 C ATOM 706 CE1 HIS A 47 -14.343 -3.783 1.806 1.00 0.17 C ATOM 707 NE2 HIS A 47 -13.983 -4.713 0.927 1.00 0.24 N ATOM 0 H HIS A 47 -9.251 -2.962 4.595 1.00 0.68 H new ATOM 0 HA HIS A 47 -11.987 -4.092 4.679 1.00 0.49 H new ATOM 0 HB2 HIS A 47 -10.692 -2.652 2.797 1.00 0.32 H new ATOM 0 HB3 HIS A 47 -10.161 -4.242 2.286 1.00 0.32 H new ATOM 0 HD2 HIS A 47 -11.978 -5.495 0.658 1.00 0.32 H new ATOM 0 HE1 HIS A 47 -15.353 -3.414 1.911 1.00 0.17 H new ATOM 0 HE2 HIS A 47 -14.556 -5.210 0.245 1.00 0.24 H new ATOM 715 N LEU A 48 -9.322 -5.926 4.022 1.00 0.66 N ATOM 716 CA LEU A 48 -8.840 -7.337 4.063 1.00 0.99 C ATOM 717 C LEU A 48 -9.146 -7.954 5.433 1.00 1.27 C ATOM 718 O LEU A 48 -9.655 -7.291 6.314 1.00 2.27 O ATOM 719 CB LEU A 48 -7.329 -7.359 3.819 1.00 1.10 C ATOM 720 CG LEU A 48 -7.031 -6.809 2.416 1.00 1.13 C ATOM 721 CD1 LEU A 48 -5.514 -6.716 2.226 1.00 1.12 C ATOM 722 CD2 LEU A 48 -7.613 -7.748 1.351 1.00 0.99 C ATOM 0 H LEU A 48 -8.631 -5.234 3.731 1.00 0.66 H new ATOM 0 HA LEU A 48 -9.347 -7.915 3.291 1.00 0.99 H new ATOM 0 HB2 LEU A 48 -6.819 -6.759 4.573 1.00 1.10 H new ATOM 0 HB3 LEU A 48 -6.949 -8.377 3.911 1.00 1.10 H new ATOM 0 HG LEU A 48 -7.483 -5.823 2.313 1.00 1.13 H new ATOM 0 HD11 LEU A 48 -5.295 -6.326 1.232 1.00 1.12 H new ATOM 0 HD12 LEU A 48 -5.093 -6.049 2.978 1.00 1.12 H new ATOM 0 HD13 LEU A 48 -5.073 -7.707 2.333 1.00 1.12 H new ATOM 0 HD21 LEU A 48 -7.398 -7.351 0.359 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -7.163 -8.736 1.452 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -8.692 -7.825 1.484 1.00 0.99 H new ATOM 734 N ALA A 49 -8.829 -9.211 5.582 1.00 1.22 N ATOM 735 CA ALA A 49 -9.096 -9.883 6.887 1.00 1.30 C ATOM 736 C ALA A 49 -8.006 -9.522 7.903 1.00 2.50 C ATOM 737 O ALA A 49 -6.835 -9.515 7.583 1.00 3.40 O ATOM 738 CB ALA A 49 -9.114 -11.396 6.675 1.00 1.99 C ATOM 0 H ALA A 49 -8.401 -9.797 4.865 1.00 1.22 H new ATOM 0 HA ALA A 49 -10.060 -9.549 7.272 1.00 1.30 H new ATOM 0 HB1 ALA A 49 -9.309 -11.894 7.625 1.00 1.99 H new ATOM 0 HB2 ALA A 49 -9.897 -11.654 5.963 1.00 1.99 H new ATOM 0 HB3 ALA A 49 -8.149 -11.720 6.286 1.00 1.99 H new ATOM 744 N LYS A 50 -8.418 -9.229 9.106 1.00 2.92 N ATOM 745 CA LYS A 50 -7.419 -8.868 10.154 1.00 4.29 C ATOM 746 C LYS A 50 -6.720 -10.128 10.676 1.00 4.69 C ATOM 747 O LYS A 50 -7.193 -10.766 11.596 1.00 5.08 O ATOM 748 CB LYS A 50 -8.133 -8.167 11.310 1.00 5.01 C ATOM 749 CG LYS A 50 -8.982 -7.018 10.756 1.00 5.29 C ATOM 750 CD LYS A 50 -9.738 -6.345 11.910 1.00 6.29 C ATOM 751 CE LYS A 50 -8.735 -5.727 12.891 1.00 7.53 C ATOM 752 NZ LYS A 50 -8.359 -6.713 13.943 1.00 7.48 N ATOM 0 H LYS A 50 -9.392 -9.223 9.408 1.00 2.92 H new ATOM 0 HA LYS A 50 -6.672 -8.203 9.721 1.00 4.29 H new ATOM 0 HB2 LYS A 50 -8.764 -8.876 11.846 1.00 5.01 H new ATOM 0 HB3 LYS A 50 -7.404 -7.785 12.025 1.00 5.01 H new ATOM 0 HG2 LYS A 50 -8.346 -6.292 10.250 1.00 5.29 H new ATOM 0 HG3 LYS A 50 -9.687 -7.395 10.015 1.00 5.29 H new ATOM 0 HD2 LYS A 50 -10.404 -5.574 11.521 1.00 6.29 H new ATOM 0 HD3 LYS A 50 -10.362 -7.076 12.424 1.00 6.29 H new ATOM 0 HE2 LYS A 50 -7.844 -5.403 12.353 1.00 7.53 H new ATOM 0 HE3 LYS A 50 -9.169 -4.840 13.354 1.00 7.53 H new ATOM 0 HZ1 LYS A 50 -8.602 -6.331 14.879 1.00 7.48 H new ATOM 0 HZ2 LYS A 50 -8.876 -7.602 13.787 1.00 7.48 H new ATOM 0 HZ3 LYS A 50 -7.336 -6.896 13.898 1.00 7.48 H new ATOM 766 N ALA A 51 -5.611 -10.459 10.075 1.00 4.97 N ATOM 767 CA ALA A 51 -4.870 -11.673 10.524 1.00 5.79 C ATOM 768 C ALA A 51 -3.863 -11.304 11.619 1.00 6.93 C ATOM 769 O ALA A 51 -4.067 -10.254 12.207 1.00 7.03 O ATOM 770 CB ALA A 51 -4.127 -12.274 9.332 1.00 6.12 C ATOM 771 OXT ALA A 51 -2.950 -12.091 11.803 1.00 7.75 O ATOM 0 H ALA A 51 -5.188 -9.948 9.300 1.00 4.97 H new ATOM 0 HA ALA A 51 -5.578 -12.398 10.926 1.00 5.79 H new ATOM 0 HB1 ALA A 51 -3.583 -13.162 9.653 1.00 6.12 H new ATOM 0 HB2 ALA A 51 -4.843 -12.547 8.557 1.00 6.12 H new ATOM 0 HB3 ALA A 51 -3.424 -11.542 8.935 1.00 6.12 H new TER 777 ALA A 51