USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 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+ 146:sc= 0.0148 (180deg=0) 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= -3.01 K(o=-3,f=-5.1!) USER MOD Single : A 8 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.1!) USER MOD Single : A 9 ASN : amide:sc= -0.0935 X(o=-0.094,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -2.02 X(o=-2,f=-2.2) USER MOD Single : A 24 ASN : amide:sc= -2.28! K(o=-2.3!,f=-1.1) USER MOD Single : A 28 SER OG : rot -138:sc= 0.647 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.214 (180deg=-0.989) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -78:sc= 0.495 USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= -0.13 (180deg=-0.445) USER MOD Single : A 47 HIS : no HD1:sc=-0.00981 X(o=-0.0098,f=-0.07) USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= -1.7 (180deg=-3.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 23.455 1.624 -10.847 1.00 8.27 N ATOM 2 CA TYR A 1 23.086 2.625 -9.804 1.00 6.88 C ATOM 3 C TYR A 1 23.128 1.962 -8.425 1.00 5.83 C ATOM 4 O TYR A 1 22.810 0.799 -8.283 1.00 6.24 O ATOM 5 CB TYR A 1 21.681 3.173 -10.057 1.00 7.22 C ATOM 6 CG TYR A 1 21.752 4.691 -10.226 1.00 7.14 C ATOM 7 CD1 TYR A 1 21.928 5.511 -9.130 1.00 6.27 C ATOM 8 CD2 TYR A 1 21.642 5.263 -11.477 1.00 8.15 C ATOM 9 CE1 TYR A 1 21.991 6.882 -9.282 1.00 6.61 C ATOM 10 CE2 TYR A 1 21.707 6.633 -11.631 1.00 8.32 C ATOM 11 CZ TYR A 1 21.881 7.453 -10.534 1.00 7.63 C ATOM 12 OH TYR A 1 21.947 8.823 -10.687 1.00 8.14 O ATOM 0 H1 TYR A 1 22.919 1.816 -11.717 1.00 8.27 H new ATOM 0 H2 TYR A 1 24.474 1.690 -11.046 1.00 8.27 H new ATOM 0 H3 TYR A 1 23.230 0.668 -10.506 1.00 8.27 H new ATOM 0 HA TYR A 1 23.798 3.449 -9.844 1.00 6.88 H new ATOM 0 HB2 TYR A 1 21.256 2.716 -10.950 1.00 7.22 H new ATOM 0 HB3 TYR A 1 21.024 2.919 -9.225 1.00 7.22 H new ATOM 0 HD1 TYR A 1 22.017 5.077 -8.145 1.00 6.27 H new ATOM 0 HD2 TYR A 1 21.504 4.633 -12.343 1.00 8.15 H new ATOM 0 HE1 TYR A 1 22.127 7.512 -8.415 1.00 6.61 H new ATOM 0 HE2 TYR A 1 21.621 7.067 -12.616 1.00 8.32 H new ATOM 0 HH TYR A 1 21.852 9.051 -11.635 1.00 8.14 H new ATOM 24 N ALA A 2 23.521 2.718 -7.437 1.00 4.74 N ATOM 25 CA ALA A 2 23.589 2.150 -6.058 1.00 4.12 C ATOM 26 C ALA A 2 22.261 1.481 -5.694 1.00 3.93 C ATOM 27 O ALA A 2 21.989 0.370 -6.106 1.00 5.00 O ATOM 28 CB ALA A 2 23.880 3.276 -5.067 1.00 3.28 C ATOM 0 H ALA A 2 23.796 3.697 -7.522 1.00 4.74 H new ATOM 0 HA ALA A 2 24.382 1.403 -6.017 1.00 4.12 H new ATOM 0 HB1 ALA A 2 23.931 2.868 -4.057 1.00 3.28 H new ATOM 0 HB2 ALA A 2 24.832 3.744 -5.318 1.00 3.28 H new ATOM 0 HB3 ALA A 2 23.085 4.020 -5.118 1.00 3.28 H new ATOM 34 N SER A 3 21.470 2.177 -4.925 1.00 2.91 N ATOM 35 CA SER A 3 20.147 1.615 -4.514 1.00 3.43 C ATOM 36 C SER A 3 19.045 2.660 -4.713 1.00 3.07 C ATOM 37 O SER A 3 19.271 3.843 -4.553 1.00 2.11 O ATOM 38 CB SER A 3 20.210 1.215 -3.041 1.00 3.56 C ATOM 39 OG SER A 3 19.560 -0.047 -2.994 1.00 4.86 O ATOM 0 H SER A 3 21.679 3.107 -4.563 1.00 2.91 H new ATOM 0 HA SER A 3 19.921 0.743 -5.127 1.00 3.43 H new ATOM 0 HB2 SER A 3 21.240 1.146 -2.691 1.00 3.56 H new ATOM 0 HB3 SER A 3 19.707 1.946 -2.408 1.00 3.56 H new ATOM 0 HG SER A 3 19.558 -0.380 -2.072 1.00 4.86 H new ATOM 45 N LEU A 4 17.872 2.200 -5.058 1.00 4.12 N ATOM 46 CA LEU A 4 16.744 3.153 -5.273 1.00 4.18 C ATOM 47 C LEU A 4 16.602 4.091 -4.070 1.00 2.97 C ATOM 48 O LEU A 4 15.870 5.061 -4.119 1.00 3.02 O ATOM 49 CB LEU A 4 15.449 2.362 -5.457 1.00 5.71 C ATOM 50 CG LEU A 4 15.282 1.392 -4.285 1.00 6.44 C ATOM 51 CD1 LEU A 4 13.917 1.622 -3.632 1.00 7.82 C ATOM 52 CD2 LEU A 4 15.355 -0.044 -4.805 1.00 7.18 C ATOM 0 H LEU A 4 17.647 1.215 -5.199 1.00 4.12 H new ATOM 0 HA LEU A 4 16.946 3.751 -6.162 1.00 4.18 H new ATOM 0 HB2 LEU A 4 14.598 3.041 -5.507 1.00 5.71 H new ATOM 0 HB3 LEU A 4 15.475 1.813 -6.398 1.00 5.71 H new ATOM 0 HG LEU A 4 16.073 1.559 -3.554 1.00 6.44 H new ATOM 0 HD11 LEU A 4 13.793 0.933 -2.796 1.00 7.82 H new ATOM 0 HD12 LEU A 4 13.856 2.648 -3.269 1.00 7.82 H new ATOM 0 HD13 LEU A 4 13.129 1.449 -4.365 1.00 7.82 H new ATOM 0 HD21 LEU A 4 15.237 -0.739 -3.973 1.00 7.18 H new ATOM 0 HD22 LEU A 4 14.559 -0.209 -5.532 1.00 7.18 H new ATOM 0 HD23 LEU A 4 16.321 -0.210 -5.281 1.00 7.18 H new ATOM 64 N GLU A 5 17.306 3.782 -3.016 1.00 2.26 N ATOM 65 CA GLU A 5 17.226 4.647 -1.802 1.00 1.51 C ATOM 66 C GLU A 5 18.063 5.916 -2.000 1.00 0.74 C ATOM 67 O GLU A 5 18.941 6.212 -1.213 1.00 1.85 O ATOM 68 CB GLU A 5 17.756 3.869 -0.599 1.00 2.60 C ATOM 69 CG GLU A 5 17.245 4.522 0.686 1.00 3.88 C ATOM 70 CD GLU A 5 17.830 3.786 1.894 1.00 5.17 C ATOM 71 OE1 GLU A 5 18.931 4.154 2.270 1.00 5.53 O ATOM 72 OE2 GLU A 5 17.144 2.898 2.371 1.00 5.97 O ATOM 0 H GLU A 5 17.928 2.977 -2.941 1.00 2.26 H new ATOM 0 HA GLU A 5 16.188 4.933 -1.632 1.00 1.51 H new ATOM 0 HB2 GLU A 5 17.428 2.831 -0.649 1.00 2.60 H new ATOM 0 HB3 GLU A 5 18.846 3.860 -0.608 1.00 2.60 H new ATOM 0 HG2 GLU A 5 17.532 5.573 0.712 1.00 3.88 H new ATOM 0 HG3 GLU A 5 16.156 4.488 0.717 1.00 3.88 H new ATOM 79 N GLU A 6 17.773 6.639 -3.048 1.00 1.60 N ATOM 80 CA GLU A 6 18.543 7.891 -3.311 1.00 3.18 C ATOM 81 C GLU A 6 17.875 8.699 -4.430 1.00 4.66 C ATOM 82 O GLU A 6 18.408 9.695 -4.878 1.00 6.06 O ATOM 83 CB GLU A 6 19.967 7.523 -3.727 1.00 3.55 C ATOM 84 CG GLU A 6 20.896 8.705 -3.442 1.00 4.82 C ATOM 85 CD GLU A 6 22.028 8.718 -4.470 1.00 5.69 C ATOM 86 OE1 GLU A 6 21.727 9.061 -5.602 1.00 6.44 O ATOM 87 OE2 GLU A 6 23.130 8.385 -4.067 1.00 5.82 O ATOM 0 H GLU A 6 17.044 6.421 -3.728 1.00 1.60 H new ATOM 0 HA GLU A 6 18.565 8.497 -2.405 1.00 3.18 H new ATOM 0 HB2 GLU A 6 20.302 6.642 -3.180 1.00 3.55 H new ATOM 0 HB3 GLU A 6 19.995 7.270 -4.787 1.00 3.55 H new ATOM 0 HG2 GLU A 6 20.338 9.640 -3.487 1.00 4.82 H new ATOM 0 HG3 GLU A 6 21.305 8.626 -2.435 1.00 4.82 H new ATOM 94 N GLN A 7 16.721 8.247 -4.855 1.00 4.50 N ATOM 95 CA GLN A 7 15.998 8.976 -5.947 1.00 6.08 C ATOM 96 C GLN A 7 14.505 9.099 -5.621 1.00 6.14 C ATOM 97 O GLN A 7 13.814 9.935 -6.170 1.00 7.08 O ATOM 98 CB GLN A 7 16.170 8.208 -7.257 1.00 6.84 C ATOM 99 CG GLN A 7 17.027 9.036 -8.217 1.00 8.14 C ATOM 100 CD GLN A 7 18.408 9.259 -7.598 1.00 8.13 C ATOM 101 OE1 GLN A 7 18.952 8.395 -6.939 1.00 7.64 O ATOM 102 NE2 GLN A 7 19.009 10.402 -7.785 1.00 8.93 N ATOM 0 H GLN A 7 16.251 7.415 -4.499 1.00 4.50 H new ATOM 0 HA GLN A 7 16.416 9.978 -6.040 1.00 6.08 H new ATOM 0 HB2 GLN A 7 16.642 7.244 -7.068 1.00 6.84 H new ATOM 0 HB3 GLN A 7 15.197 8.004 -7.703 1.00 6.84 H new ATOM 0 HG2 GLN A 7 17.123 8.521 -9.173 1.00 8.14 H new ATOM 0 HG3 GLN A 7 16.547 9.994 -8.418 1.00 8.14 H new ATOM 0 HE21 GLN A 7 18.558 11.131 -8.337 1.00 8.93 H new ATOM 0 HE22 GLN A 7 19.930 10.566 -7.379 1.00 8.93 H new ATOM 111 N ASN A 8 14.040 8.267 -4.736 1.00 5.23 N ATOM 112 CA ASN A 8 12.594 8.322 -4.365 1.00 5.27 C ATOM 113 C ASN A 8 12.362 9.398 -3.300 1.00 5.44 C ATOM 114 O ASN A 8 13.080 9.473 -2.323 1.00 5.14 O ATOM 115 CB ASN A 8 12.164 6.962 -3.821 1.00 4.21 C ATOM 116 CG ASN A 8 12.369 6.936 -2.305 1.00 2.80 C ATOM 117 OD1 ASN A 8 13.466 7.108 -1.813 1.00 2.49 O ATOM 118 ND2 ASN A 8 11.341 6.724 -1.530 1.00 2.51 N ATOM 0 H ASN A 8 14.590 7.555 -4.254 1.00 5.23 H new ATOM 0 HA ASN A 8 12.006 8.570 -5.249 1.00 5.27 H new ATOM 0 HB2 ASN A 8 11.117 6.776 -4.061 1.00 4.21 H new ATOM 0 HB3 ASN A 8 12.745 6.169 -4.292 1.00 4.21 H new ATOM 0 HD21 ASN A 8 11.461 6.703 -0.517 1.00 2.51 H new ATOM 0 HD22 ASN A 8 10.417 6.579 -1.937 1.00 2.51 H new ATOM 125 N ASN A 9 11.361 10.209 -3.512 1.00 6.34 N ATOM 126 CA ASN A 9 11.069 11.286 -2.521 1.00 6.96 C ATOM 127 C ASN A 9 10.026 10.804 -1.507 1.00 6.22 C ATOM 128 O ASN A 9 10.311 10.683 -0.332 1.00 5.93 O ATOM 129 CB ASN A 9 10.531 12.511 -3.260 1.00 8.34 C ATOM 130 CG ASN A 9 10.947 13.778 -2.510 1.00 9.13 C ATOM 131 OD1 ASN A 9 12.070 14.233 -2.611 1.00 9.56 O ATOM 132 ND2 ASN A 9 10.074 14.377 -1.747 1.00 9.52 N ATOM 0 H ASN A 9 10.738 10.174 -4.319 1.00 6.34 H new ATOM 0 HA ASN A 9 11.985 11.543 -1.989 1.00 6.96 H new ATOM 0 HB2 ASN A 9 10.918 12.534 -4.279 1.00 8.34 H new ATOM 0 HB3 ASN A 9 9.445 12.458 -3.333 1.00 8.34 H new ATOM 0 HD21 ASN A 9 10.335 15.222 -1.239 1.00 9.52 H new ATOM 0 HD22 ASN A 9 9.130 14.000 -1.658 1.00 9.52 H new ATOM 139 N ASP A 10 8.841 10.539 -1.983 1.00 6.16 N ATOM 140 CA ASP A 10 7.770 10.065 -1.057 1.00 5.53 C ATOM 141 C ASP A 10 6.689 9.309 -1.839 1.00 5.37 C ATOM 142 O ASP A 10 5.555 9.224 -1.411 1.00 5.53 O ATOM 143 CB ASP A 10 7.143 11.271 -0.359 1.00 6.48 C ATOM 144 CG ASP A 10 8.163 11.880 0.606 1.00 6.82 C ATOM 145 OD1 ASP A 10 8.280 11.330 1.689 1.00 6.22 O ATOM 146 OD2 ASP A 10 8.766 12.863 0.206 1.00 7.90 O ATOM 0 H ASP A 10 8.568 10.628 -2.962 1.00 6.16 H new ATOM 0 HA ASP A 10 8.206 9.392 -0.319 1.00 5.53 H new ATOM 0 HB2 ASP A 10 6.834 12.012 -1.096 1.00 6.48 H new ATOM 0 HB3 ASP A 10 6.247 10.968 0.183 1.00 6.48 H new ATOM 151 N ALA A 11 7.064 8.777 -2.969 1.00 5.46 N ATOM 152 CA ALA A 11 6.071 8.024 -3.791 1.00 5.61 C ATOM 153 C ALA A 11 5.616 6.764 -3.046 1.00 4.51 C ATOM 154 O ALA A 11 6.362 6.191 -2.276 1.00 4.41 O ATOM 155 CB ALA A 11 6.719 7.626 -5.116 1.00 6.03 C ATOM 0 H ALA A 11 8.006 8.829 -3.358 1.00 5.46 H new ATOM 0 HA ALA A 11 5.203 8.657 -3.976 1.00 5.61 H new ATOM 0 HB1 ALA A 11 5.999 7.075 -5.722 1.00 6.03 H new ATOM 0 HB2 ALA A 11 7.033 8.522 -5.651 1.00 6.03 H new ATOM 0 HB3 ALA A 11 7.587 6.996 -4.922 1.00 6.03 H new ATOM 161 N LEU A 12 4.400 6.359 -3.294 1.00 3.87 N ATOM 162 CA LEU A 12 3.880 5.137 -2.611 1.00 2.85 C ATOM 163 C LEU A 12 4.573 3.890 -3.167 1.00 2.58 C ATOM 164 O LEU A 12 5.611 3.981 -3.793 1.00 2.89 O ATOM 165 CB LEU A 12 2.375 5.034 -2.847 1.00 2.33 C ATOM 166 CG LEU A 12 1.685 6.254 -2.233 1.00 2.56 C ATOM 167 CD1 LEU A 12 0.475 6.634 -3.089 1.00 2.79 C ATOM 168 CD2 LEU A 12 1.212 5.906 -0.820 1.00 2.21 C ATOM 0 H LEU A 12 3.749 6.815 -3.933 1.00 3.87 H new ATOM 0 HA LEU A 12 4.083 5.207 -1.542 1.00 2.85 H new ATOM 0 HB2 LEU A 12 2.165 4.982 -3.915 1.00 2.33 H new ATOM 0 HB3 LEU A 12 1.987 4.119 -2.401 1.00 2.33 H new ATOM 0 HG LEU A 12 2.384 7.090 -2.193 1.00 2.56 H new ATOM 0 HD11 LEU A 12 -0.019 7.503 -2.655 1.00 2.79 H new ATOM 0 HD12 LEU A 12 0.805 6.872 -4.100 1.00 2.79 H new ATOM 0 HD13 LEU A 12 -0.224 5.798 -3.123 1.00 2.79 H new ATOM 0 HD21 LEU A 12 0.720 6.772 -0.378 1.00 2.21 H new ATOM 0 HD22 LEU A 12 0.510 5.073 -0.866 1.00 2.21 H new ATOM 0 HD23 LEU A 12 2.069 5.624 -0.208 1.00 2.21 H new ATOM 180 N SER A 13 3.987 2.748 -2.926 1.00 2.04 N ATOM 181 CA SER A 13 4.603 1.490 -3.436 1.00 1.74 C ATOM 182 C SER A 13 4.268 1.315 -4.949 1.00 1.72 C ATOM 183 O SER A 13 3.114 1.383 -5.321 1.00 1.64 O ATOM 184 CB SER A 13 4.020 0.310 -2.657 1.00 1.62 C ATOM 185 OG SER A 13 5.106 -0.154 -1.867 1.00 1.49 O ATOM 0 H SER A 13 3.118 2.632 -2.404 1.00 2.04 H new ATOM 0 HA SER A 13 5.685 1.533 -3.309 1.00 1.74 H new ATOM 0 HB2 SER A 13 3.179 0.619 -2.036 1.00 1.62 H new ATOM 0 HB3 SER A 13 3.653 -0.468 -3.327 1.00 1.62 H new ATOM 0 HG SER A 13 4.815 -0.919 -1.328 1.00 1.49 H new ATOM 191 N PRO A 14 5.276 1.091 -5.808 1.00 1.83 N ATOM 192 CA PRO A 14 5.014 0.918 -7.246 1.00 1.85 C ATOM 193 C PRO A 14 4.102 -0.292 -7.493 1.00 1.66 C ATOM 194 O PRO A 14 3.498 -0.413 -8.540 1.00 1.66 O ATOM 195 CB PRO A 14 6.386 0.685 -7.888 1.00 2.00 C ATOM 196 CG PRO A 14 7.443 0.693 -6.747 1.00 2.11 C ATOM 197 CD PRO A 14 6.704 0.997 -5.432 1.00 1.98 C ATOM 0 HA PRO A 14 4.508 1.787 -7.666 1.00 1.85 H new ATOM 0 HB2 PRO A 14 6.404 -0.266 -8.420 1.00 2.00 H new ATOM 0 HB3 PRO A 14 6.605 1.464 -8.619 1.00 2.00 H new ATOM 0 HG2 PRO A 14 7.950 -0.270 -6.688 1.00 2.11 H new ATOM 0 HG3 PRO A 14 8.208 1.445 -6.939 1.00 2.11 H new ATOM 0 HD2 PRO A 14 6.867 0.209 -4.696 1.00 1.98 H new ATOM 0 HD3 PRO A 14 7.057 1.927 -4.987 1.00 1.98 H new ATOM 205 N ALA A 15 4.022 -1.159 -6.520 1.00 1.54 N ATOM 206 CA ALA A 15 3.159 -2.367 -6.684 1.00 1.38 C ATOM 207 C ALA A 15 1.785 -2.136 -6.043 1.00 1.00 C ATOM 208 O ALA A 15 1.127 -3.069 -5.629 1.00 0.64 O ATOM 209 CB ALA A 15 3.839 -3.559 -6.013 1.00 1.51 C ATOM 0 H ALA A 15 4.510 -1.086 -5.628 1.00 1.54 H new ATOM 0 HA ALA A 15 3.019 -2.564 -7.747 1.00 1.38 H new ATOM 0 HB1 ALA A 15 3.216 -4.446 -6.128 1.00 1.51 H new ATOM 0 HB2 ALA A 15 4.809 -3.734 -6.479 1.00 1.51 H new ATOM 0 HB3 ALA A 15 3.979 -3.349 -4.953 1.00 1.51 H new ATOM 215 N ILE A 16 1.383 -0.897 -5.975 1.00 1.40 N ATOM 216 CA ILE A 16 0.054 -0.594 -5.366 1.00 1.10 C ATOM 217 C ILE A 16 -1.065 -0.874 -6.375 1.00 0.87 C ATOM 218 O ILE A 16 -2.174 -1.201 -6.002 1.00 0.62 O ATOM 219 CB ILE A 16 0.018 0.879 -4.950 1.00 1.39 C ATOM 220 CG1 ILE A 16 -1.352 1.195 -4.332 1.00 1.47 C ATOM 221 CG2 ILE A 16 0.243 1.764 -6.182 1.00 1.49 C ATOM 222 CD1 ILE A 16 -1.205 2.362 -3.350 1.00 1.13 C ATOM 0 H ILE A 16 1.908 -0.089 -6.310 1.00 1.40 H new ATOM 0 HA ILE A 16 -0.096 -1.228 -4.492 1.00 1.10 H new ATOM 0 HB ILE A 16 0.803 1.074 -4.219 1.00 1.39 H new ATOM 0 HG12 ILE A 16 -2.067 1.450 -5.114 1.00 1.47 H new ATOM 0 HG13 ILE A 16 -1.743 0.318 -3.817 1.00 1.47 H new ATOM 0 HG21 ILE A 16 0.217 2.813 -5.886 1.00 1.49 H new ATOM 0 HG22 ILE A 16 1.213 1.535 -6.622 1.00 1.49 H new ATOM 0 HG23 ILE A 16 -0.542 1.574 -6.914 1.00 1.49 H new ATOM 0 HD11 ILE A 16 -2.175 2.590 -2.908 1.00 1.13 H new ATOM 0 HD12 ILE A 16 -0.503 2.088 -2.562 1.00 1.13 H new ATOM 0 HD13 ILE A 16 -0.832 3.239 -3.880 1.00 1.13 H new ATOM 234 N ARG A 17 -0.748 -0.738 -7.634 1.00 1.14 N ATOM 235 CA ARG A 17 -1.779 -0.994 -8.681 1.00 1.14 C ATOM 236 C ARG A 17 -2.041 -2.499 -8.806 1.00 0.77 C ATOM 237 O ARG A 17 -3.161 -2.949 -8.670 1.00 0.77 O ATOM 238 CB ARG A 17 -1.277 -0.452 -10.019 1.00 1.54 C ATOM 239 CG ARG A 17 -1.279 1.078 -9.972 1.00 2.00 C ATOM 240 CD ARG A 17 -0.875 1.622 -11.342 1.00 2.24 C ATOM 241 NE ARG A 17 0.493 1.135 -11.673 1.00 1.99 N ATOM 242 CZ ARG A 17 0.709 0.564 -12.826 1.00 3.15 C ATOM 243 NH1 ARG A 17 0.398 -0.695 -12.974 1.00 4.31 N ATOM 244 NH2 ARG A 17 1.228 1.269 -13.793 1.00 3.45 N ATOM 0 H ARG A 17 0.171 -0.463 -7.981 1.00 1.14 H new ATOM 0 HA ARG A 17 -2.707 -0.496 -8.402 1.00 1.14 H new ATOM 0 HB2 ARG A 17 -0.271 -0.821 -10.221 1.00 1.54 H new ATOM 0 HB3 ARG A 17 -1.914 -0.804 -10.830 1.00 1.54 H new ATOM 0 HG2 ARG A 17 -2.269 1.444 -9.699 1.00 2.00 H new ATOM 0 HG3 ARG A 17 -0.586 1.431 -9.208 1.00 2.00 H new ATOM 0 HD2 ARG A 17 -1.585 1.295 -12.101 1.00 2.24 H new ATOM 0 HD3 ARG A 17 -0.895 2.712 -11.335 1.00 2.24 H new ATOM 0 HE ARG A 17 1.255 1.247 -11.004 1.00 1.99 H new ATOM 0 HH11 ARG A 17 -0.007 -1.215 -12.196 1.00 4.31 H new ATOM 0 HH12 ARG A 17 0.560 -1.159 -13.868 1.00 4.31 H new ATOM 0 HH21 ARG A 17 1.458 2.251 -13.641 1.00 3.45 H new ATOM 0 HH22 ARG A 17 1.403 0.838 -14.701 1.00 3.45 H new ATOM 258 N ARG A 18 -1.000 -3.244 -9.065 1.00 0.80 N ATOM 259 CA ARG A 18 -1.171 -4.719 -9.200 1.00 0.46 C ATOM 260 C ARG A 18 -1.819 -5.294 -7.937 1.00 0.34 C ATOM 261 O ARG A 18 -2.427 -6.345 -7.970 1.00 0.36 O ATOM 262 CB ARG A 18 0.197 -5.364 -9.410 1.00 0.32 C ATOM 263 CG ARG A 18 0.962 -4.584 -10.482 1.00 0.41 C ATOM 264 CD ARG A 18 2.037 -5.488 -11.090 1.00 0.74 C ATOM 265 NE ARG A 18 1.487 -6.139 -12.312 1.00 1.05 N ATOM 266 CZ ARG A 18 1.532 -5.505 -13.452 1.00 1.89 C ATOM 267 NH1 ARG A 18 2.638 -4.905 -13.796 1.00 2.26 N ATOM 268 NH2 ARG A 18 0.469 -5.491 -14.209 1.00 2.98 N ATOM 0 H ARG A 18 -0.048 -2.899 -9.188 1.00 0.80 H new ATOM 0 HA ARG A 18 -1.816 -4.929 -10.053 1.00 0.46 H new ATOM 0 HB2 ARG A 18 0.758 -5.367 -8.476 1.00 0.32 H new ATOM 0 HB3 ARG A 18 0.079 -6.404 -9.715 1.00 0.32 H new ATOM 0 HG2 ARG A 18 0.277 -4.241 -11.257 1.00 0.41 H new ATOM 0 HG3 ARG A 18 1.420 -3.696 -10.046 1.00 0.41 H new ATOM 0 HD2 ARG A 18 2.923 -4.904 -11.340 1.00 0.74 H new ATOM 0 HD3 ARG A 18 2.347 -6.243 -10.368 1.00 0.74 H new ATOM 0 HE ARG A 18 1.079 -7.072 -12.258 1.00 1.05 H new ATOM 0 HH11 ARG A 18 3.449 -4.936 -13.178 1.00 2.26 H new ATOM 0 HH12 ARG A 18 2.692 -4.405 -14.683 1.00 2.26 H new ATOM 0 HH21 ARG A 18 -0.379 -5.971 -13.906 1.00 2.98 H new ATOM 0 HH22 ARG A 18 0.486 -5.000 -15.103 1.00 2.98 H new ATOM 282 N LEU A 19 -1.672 -4.590 -6.848 1.00 0.34 N ATOM 283 CA LEU A 19 -2.274 -5.079 -5.573 1.00 0.36 C ATOM 284 C LEU A 19 -3.766 -5.368 -5.772 1.00 0.30 C ATOM 285 O LEU A 19 -4.289 -6.335 -5.255 1.00 0.42 O ATOM 286 CB LEU A 19 -2.097 -4.010 -4.494 1.00 0.50 C ATOM 287 CG LEU A 19 -2.435 -4.609 -3.127 1.00 0.60 C ATOM 288 CD1 LEU A 19 -1.149 -5.093 -2.456 1.00 0.82 C ATOM 289 CD2 LEU A 19 -3.084 -3.534 -2.253 1.00 0.72 C ATOM 0 H LEU A 19 -1.167 -3.706 -6.784 1.00 0.34 H new ATOM 0 HA LEU A 19 -1.775 -5.999 -5.267 1.00 0.36 H new ATOM 0 HB2 LEU A 19 -1.072 -3.640 -4.498 1.00 0.50 H new ATOM 0 HB3 LEU A 19 -2.745 -3.158 -4.701 1.00 0.50 H new ATOM 0 HG LEU A 19 -3.122 -5.446 -3.253 1.00 0.60 H new ATOM 0 HD11 LEU A 19 -1.386 -5.520 -1.482 1.00 0.82 H new ATOM 0 HD12 LEU A 19 -0.676 -5.852 -3.080 1.00 0.82 H new ATOM 0 HD13 LEU A 19 -0.467 -4.252 -2.327 1.00 0.82 H new ATOM 0 HD21 LEU A 19 -3.327 -3.956 -1.278 1.00 0.72 H new ATOM 0 HD22 LEU A 19 -2.392 -2.701 -2.126 1.00 0.72 H new ATOM 0 HD23 LEU A 19 -3.996 -3.178 -2.732 1.00 0.72 H new ATOM 301 N LEU A 20 -4.419 -4.520 -6.518 1.00 0.34 N ATOM 302 CA LEU A 20 -5.876 -4.731 -6.762 1.00 0.50 C ATOM 303 C LEU A 20 -6.086 -5.892 -7.738 1.00 0.63 C ATOM 304 O LEU A 20 -7.183 -6.390 -7.887 1.00 0.62 O ATOM 305 CB LEU A 20 -6.475 -3.456 -7.351 1.00 0.62 C ATOM 306 CG LEU A 20 -6.683 -2.436 -6.230 1.00 0.68 C ATOM 307 CD1 LEU A 20 -6.502 -1.025 -6.795 1.00 0.76 C ATOM 308 CD2 LEU A 20 -8.102 -2.578 -5.676 1.00 0.93 C ATOM 0 H LEU A 20 -4.013 -3.698 -6.965 1.00 0.34 H new ATOM 0 HA LEU A 20 -6.366 -4.970 -5.819 1.00 0.50 H new ATOM 0 HB2 LEU A 20 -5.812 -3.047 -8.114 1.00 0.62 H new ATOM 0 HB3 LEU A 20 -7.424 -3.677 -7.839 1.00 0.62 H new ATOM 0 HG LEU A 20 -5.959 -2.611 -5.434 1.00 0.68 H new ATOM 0 HD11 LEU A 20 -6.649 -0.293 -6.001 1.00 0.76 H new ATOM 0 HD12 LEU A 20 -5.496 -0.922 -7.201 1.00 0.76 H new ATOM 0 HD13 LEU A 20 -7.232 -0.853 -7.586 1.00 0.76 H new ATOM 0 HD21 LEU A 20 -8.255 -1.853 -4.877 1.00 0.93 H new ATOM 0 HD22 LEU A 20 -8.823 -2.397 -6.473 1.00 0.93 H new ATOM 0 HD23 LEU A 20 -8.240 -3.585 -5.283 1.00 0.93 H new ATOM 320 N ALA A 21 -5.029 -6.299 -8.385 1.00 0.84 N ATOM 321 CA ALA A 21 -5.152 -7.426 -9.354 1.00 1.03 C ATOM 322 C ALA A 21 -4.977 -8.766 -8.632 1.00 1.01 C ATOM 323 O ALA A 21 -5.488 -9.780 -9.065 1.00 1.07 O ATOM 324 CB ALA A 21 -4.072 -7.285 -10.427 1.00 1.23 C ATOM 0 H ALA A 21 -4.093 -5.905 -8.287 1.00 0.84 H new ATOM 0 HA ALA A 21 -6.140 -7.397 -9.813 1.00 1.03 H new ATOM 0 HB1 ALA A 21 -4.157 -8.106 -11.139 1.00 1.23 H new ATOM 0 HB2 ALA A 21 -4.200 -6.337 -10.950 1.00 1.23 H new ATOM 0 HB3 ALA A 21 -3.088 -7.311 -9.959 1.00 1.23 H new ATOM 330 N GLU A 22 -4.260 -8.740 -7.542 1.00 0.96 N ATOM 331 CA GLU A 22 -4.039 -10.003 -6.777 1.00 1.00 C ATOM 332 C GLU A 22 -5.247 -10.302 -5.884 1.00 0.98 C ATOM 333 O GLU A 22 -5.326 -11.353 -5.278 1.00 1.57 O ATOM 334 CB GLU A 22 -2.789 -9.848 -5.912 1.00 0.96 C ATOM 335 CG GLU A 22 -2.512 -11.165 -5.183 1.00 1.15 C ATOM 336 CD GLU A 22 -1.060 -11.182 -4.703 1.00 1.60 C ATOM 337 OE1 GLU A 22 -0.207 -10.980 -5.551 1.00 1.43 O ATOM 338 OE2 GLU A 22 -0.886 -11.395 -3.514 1.00 2.59 O ATOM 0 H GLU A 22 -3.820 -7.907 -7.149 1.00 0.96 H new ATOM 0 HA GLU A 22 -3.909 -10.829 -7.476 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -1.935 -9.576 -6.532 1.00 0.96 H new ATOM 0 HB3 GLU A 22 -2.929 -9.042 -5.191 1.00 0.96 H new ATOM 0 HG2 GLU A 22 -3.188 -11.274 -4.335 1.00 1.15 H new ATOM 0 HG3 GLU A 22 -2.697 -12.008 -5.849 1.00 1.15 H new ATOM 345 N HIS A 23 -6.161 -9.367 -5.824 1.00 0.43 N ATOM 346 CA HIS A 23 -7.376 -9.571 -4.976 1.00 0.35 C ATOM 347 C HIS A 23 -8.637 -9.149 -5.742 1.00 0.31 C ATOM 348 O HIS A 23 -9.739 -9.478 -5.352 1.00 0.29 O ATOM 349 CB HIS A 23 -7.247 -8.728 -3.708 1.00 0.33 C ATOM 350 CG HIS A 23 -5.819 -8.842 -3.167 1.00 0.38 C ATOM 351 ND1 HIS A 23 -5.251 -9.915 -2.856 1.00 0.45 N ATOM 352 CD2 HIS A 23 -4.890 -7.849 -2.911 1.00 0.42 C ATOM 353 CE1 HIS A 23 -4.071 -9.707 -2.432 1.00 0.48 C ATOM 354 NE2 HIS A 23 -3.753 -8.415 -2.433 1.00 0.48 N ATOM 0 H HIS A 23 -6.120 -8.477 -6.321 1.00 0.43 H new ATOM 0 HA HIS A 23 -7.458 -10.627 -4.717 1.00 0.35 H new ATOM 0 HB2 HIS A 23 -7.484 -7.686 -3.924 1.00 0.33 H new ATOM 0 HB3 HIS A 23 -7.961 -9.068 -2.957 1.00 0.33 H new ATOM 0 HD2 HIS A 23 -5.045 -6.792 -3.067 1.00 0.42 H new ATOM 0 HE1 HIS A 23 -3.402 -10.490 -2.108 1.00 0.48 H new ATOM 0 HE2 HIS A 23 -2.882 -7.967 -2.149 1.00 0.48 H new ATOM 362 N ASN A 24 -8.449 -8.430 -6.817 1.00 0.32 N ATOM 363 CA ASN A 24 -9.629 -7.985 -7.612 1.00 0.30 C ATOM 364 C ASN A 24 -10.666 -7.334 -6.688 1.00 0.31 C ATOM 365 O ASN A 24 -11.527 -8.001 -6.149 1.00 0.73 O ATOM 366 CB ASN A 24 -10.242 -9.198 -8.311 1.00 0.36 C ATOM 367 CG ASN A 24 -11.722 -8.935 -8.586 1.00 1.42 C ATOM 368 OD1 ASN A 24 -12.082 -8.282 -9.546 1.00 1.76 O ATOM 369 ND2 ASN A 24 -12.610 -9.424 -7.768 1.00 3.07 N ATOM 0 H ASN A 24 -7.541 -8.135 -7.175 1.00 0.32 H new ATOM 0 HA ASN A 24 -9.316 -7.253 -8.356 1.00 0.30 H new ATOM 0 HB2 ASN A 24 -9.717 -9.396 -9.246 1.00 0.36 H new ATOM 0 HB3 ASN A 24 -10.129 -10.085 -7.688 1.00 0.36 H new ATOM 0 HD21 ASN A 24 -13.603 -9.258 -7.934 1.00 3.07 H new ATOM 0 HD22 ASN A 24 -12.313 -9.973 -6.961 1.00 3.07 H new ATOM 376 N LEU A 25 -10.556 -6.042 -6.524 1.00 0.23 N ATOM 377 CA LEU A 25 -11.524 -5.326 -5.639 1.00 0.28 C ATOM 378 C LEU A 25 -11.880 -3.961 -6.240 1.00 0.35 C ATOM 379 O LEU A 25 -11.237 -3.503 -7.165 1.00 0.83 O ATOM 380 CB LEU A 25 -10.889 -5.122 -4.262 1.00 0.25 C ATOM 381 CG LEU A 25 -11.221 -6.319 -3.368 1.00 0.32 C ATOM 382 CD1 LEU A 25 -10.165 -6.428 -2.265 1.00 0.25 C ATOM 383 CD2 LEU A 25 -12.595 -6.107 -2.728 1.00 0.44 C ATOM 0 H LEU A 25 -9.845 -5.455 -6.960 1.00 0.23 H new ATOM 0 HA LEU A 25 -12.432 -5.921 -5.547 1.00 0.28 H new ATOM 0 HB2 LEU A 25 -9.809 -5.015 -4.360 1.00 0.25 H new ATOM 0 HB3 LEU A 25 -11.261 -4.202 -3.810 1.00 0.25 H new ATOM 0 HG LEU A 25 -11.231 -7.232 -3.964 1.00 0.32 H new ATOM 0 HD11 LEU A 25 -10.395 -7.279 -1.624 1.00 0.25 H new ATOM 0 HD12 LEU A 25 -9.182 -6.568 -2.715 1.00 0.25 H new ATOM 0 HD13 LEU A 25 -10.165 -5.515 -1.670 1.00 0.25 H new ATOM 0 HD21 LEU A 25 -12.835 -6.958 -2.090 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -12.581 -5.197 -2.128 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -13.350 -6.015 -3.509 1.00 0.44 H new ATOM 395 N ASP A 26 -12.898 -3.345 -5.699 1.00 0.26 N ATOM 396 CA ASP A 26 -13.316 -2.007 -6.218 1.00 0.31 C ATOM 397 C ASP A 26 -12.840 -0.901 -5.270 1.00 0.22 C ATOM 398 O ASP A 26 -13.465 -0.631 -4.264 1.00 0.40 O ATOM 399 CB ASP A 26 -14.840 -1.966 -6.322 1.00 0.60 C ATOM 400 CG ASP A 26 -15.245 -1.818 -7.789 1.00 0.88 C ATOM 401 OD1 ASP A 26 -15.124 -2.812 -8.486 1.00 0.70 O ATOM 402 OD2 ASP A 26 -15.652 -0.720 -8.131 1.00 2.05 O ATOM 0 H ASP A 26 -13.456 -3.707 -4.925 1.00 0.26 H new ATOM 0 HA ASP A 26 -12.871 -1.847 -7.200 1.00 0.31 H new ATOM 0 HB2 ASP A 26 -15.269 -2.877 -5.905 1.00 0.60 H new ATOM 0 HB3 ASP A 26 -15.233 -1.133 -5.739 1.00 0.60 H new ATOM 407 N ALA A 27 -11.741 -0.285 -5.612 1.00 0.24 N ATOM 408 CA ALA A 27 -11.210 0.805 -4.739 1.00 0.47 C ATOM 409 C ALA A 27 -12.228 1.947 -4.641 1.00 0.65 C ATOM 410 O ALA A 27 -12.185 2.744 -3.726 1.00 0.81 O ATOM 411 CB ALA A 27 -9.908 1.333 -5.337 1.00 0.66 C ATOM 0 H ALA A 27 -11.192 -0.485 -6.448 1.00 0.24 H new ATOM 0 HA ALA A 27 -11.027 0.409 -3.740 1.00 0.47 H new ATOM 0 HB1 ALA A 27 -9.514 2.129 -4.705 1.00 0.66 H new ATOM 0 HB2 ALA A 27 -9.180 0.524 -5.397 1.00 0.66 H new ATOM 0 HB3 ALA A 27 -10.099 1.724 -6.337 1.00 0.66 H new ATOM 417 N SER A 28 -13.125 1.999 -5.589 1.00 0.65 N ATOM 418 CA SER A 28 -14.153 3.080 -5.565 1.00 0.88 C ATOM 419 C SER A 28 -14.916 3.052 -4.237 1.00 0.97 C ATOM 420 O SER A 28 -15.135 4.077 -3.621 1.00 1.40 O ATOM 421 CB SER A 28 -15.130 2.866 -6.720 1.00 0.87 C ATOM 422 OG SER A 28 -15.362 1.466 -6.723 1.00 1.00 O ATOM 0 H SER A 28 -13.191 1.348 -6.371 1.00 0.65 H new ATOM 0 HA SER A 28 -13.662 4.047 -5.669 1.00 0.88 H new ATOM 0 HB2 SER A 28 -16.055 3.423 -6.568 1.00 0.87 H new ATOM 0 HB3 SER A 28 -14.707 3.202 -7.667 1.00 0.87 H new ATOM 0 HG SER A 28 -15.370 1.138 -7.646 1.00 1.00 H new ATOM 428 N ALA A 29 -15.305 1.876 -3.824 1.00 0.68 N ATOM 429 CA ALA A 29 -16.054 1.762 -2.539 1.00 0.80 C ATOM 430 C ALA A 29 -15.167 2.202 -1.369 1.00 0.83 C ATOM 431 O ALA A 29 -15.645 2.738 -0.390 1.00 1.05 O ATOM 432 CB ALA A 29 -16.481 0.310 -2.337 1.00 0.79 C ATOM 0 H ALA A 29 -15.139 0.997 -4.315 1.00 0.68 H new ATOM 0 HA ALA A 29 -16.932 2.406 -2.577 1.00 0.80 H new ATOM 0 HB1 ALA A 29 -17.029 0.219 -1.399 1.00 0.79 H new ATOM 0 HB2 ALA A 29 -17.121 0.001 -3.163 1.00 0.79 H new ATOM 0 HB3 ALA A 29 -15.598 -0.328 -2.304 1.00 0.79 H new ATOM 438 N ILE A 30 -13.889 1.965 -1.499 1.00 0.61 N ATOM 439 CA ILE A 30 -12.955 2.363 -0.403 1.00 0.63 C ATOM 440 C ILE A 30 -12.623 3.855 -0.516 1.00 0.77 C ATOM 441 O ILE A 30 -12.183 4.321 -1.548 1.00 0.99 O ATOM 442 CB ILE A 30 -11.664 1.539 -0.525 1.00 0.44 C ATOM 443 CG1 ILE A 30 -12.017 0.039 -0.613 1.00 0.34 C ATOM 444 CG2 ILE A 30 -10.761 1.800 0.695 1.00 0.48 C ATOM 445 CD1 ILE A 30 -12.923 -0.362 0.562 1.00 0.55 C ATOM 0 H ILE A 30 -13.454 1.518 -2.306 1.00 0.61 H new ATOM 0 HA ILE A 30 -13.425 2.177 0.563 1.00 0.63 H new ATOM 0 HB ILE A 30 -11.129 1.834 -1.428 1.00 0.44 H new ATOM 0 HG12 ILE A 30 -12.520 -0.169 -1.557 1.00 0.34 H new ATOM 0 HG13 ILE A 30 -11.105 -0.558 -0.599 1.00 0.34 H new ATOM 0 HG21 ILE A 30 -9.847 1.213 0.603 1.00 0.48 H new ATOM 0 HG22 ILE A 30 -10.509 2.859 0.741 1.00 0.48 H new ATOM 0 HG23 ILE A 30 -11.287 1.512 1.605 1.00 0.48 H new ATOM 0 HD11 ILE A 30 -13.165 -1.422 0.489 1.00 0.55 H new ATOM 0 HD12 ILE A 30 -12.405 -0.172 1.502 1.00 0.55 H new ATOM 0 HD13 ILE A 30 -13.842 0.223 0.529 1.00 0.55 H new ATOM 457 N LYS A 31 -12.842 4.573 0.553 1.00 0.76 N ATOM 458 CA LYS A 31 -12.549 6.037 0.525 1.00 0.88 C ATOM 459 C LYS A 31 -11.101 6.297 0.951 1.00 0.73 C ATOM 460 O LYS A 31 -10.650 5.799 1.964 1.00 0.60 O ATOM 461 CB LYS A 31 -13.498 6.754 1.484 1.00 1.07 C ATOM 462 CG LYS A 31 -14.941 6.511 1.040 1.00 1.33 C ATOM 463 CD LYS A 31 -15.794 6.180 2.267 1.00 0.83 C ATOM 464 CE LYS A 31 -17.249 5.993 1.831 1.00 1.84 C ATOM 465 NZ LYS A 31 -17.693 7.138 0.989 1.00 2.69 N ATOM 0 H LYS A 31 -13.207 4.215 1.436 1.00 0.76 H new ATOM 0 HA LYS A 31 -12.689 6.411 -0.489 1.00 0.88 H new ATOM 0 HB2 LYS A 31 -13.351 6.389 2.500 1.00 1.07 H new ATOM 0 HB3 LYS A 31 -13.284 7.823 1.495 1.00 1.07 H new ATOM 0 HG2 LYS A 31 -15.333 7.395 0.537 1.00 1.33 H new ATOM 0 HG3 LYS A 31 -14.981 5.691 0.322 1.00 1.33 H new ATOM 0 HD2 LYS A 31 -15.426 5.273 2.747 1.00 0.83 H new ATOM 0 HD3 LYS A 31 -15.722 6.982 3.002 1.00 0.83 H new ATOM 0 HE2 LYS A 31 -17.351 5.062 1.272 1.00 1.84 H new ATOM 0 HE3 LYS A 31 -17.890 5.910 2.709 1.00 1.84 H new ATOM 0 HZ1 LYS A 31 -18.732 7.192 0.996 1.00 2.69 H new ATOM 0 HZ2 LYS A 31 -17.298 8.022 1.369 1.00 2.69 H new ATOM 0 HZ3 LYS A 31 -17.360 7.001 0.013 1.00 2.69 H new ATOM 479 N GLY A 32 -10.404 7.077 0.166 1.00 0.90 N ATOM 480 CA GLY A 32 -8.985 7.388 0.505 1.00 0.87 C ATOM 481 C GLY A 32 -8.886 8.767 1.161 1.00 0.94 C ATOM 482 O GLY A 32 -8.694 9.763 0.491 1.00 1.53 O ATOM 0 H GLY A 32 -10.754 7.509 -0.689 1.00 0.90 H new ATOM 0 HA2 GLY A 32 -8.590 6.628 1.179 1.00 0.87 H new ATOM 0 HA3 GLY A 32 -8.374 7.362 -0.397 1.00 0.87 H new ATOM 486 N THR A 33 -9.018 8.797 2.458 1.00 0.60 N ATOM 487 CA THR A 33 -8.936 10.105 3.173 1.00 0.68 C ATOM 488 C THR A 33 -7.504 10.649 3.127 1.00 0.70 C ATOM 489 O THR A 33 -7.186 11.622 3.781 1.00 1.08 O ATOM 490 CB THR A 33 -9.360 9.906 4.631 1.00 0.83 C ATOM 491 OG1 THR A 33 -8.426 8.967 5.156 1.00 1.09 O ATOM 492 CG2 THR A 33 -10.720 9.220 4.730 1.00 0.60 C ATOM 0 H THR A 33 -9.178 7.982 3.050 1.00 0.60 H new ATOM 0 HA THR A 33 -9.598 10.821 2.686 1.00 0.68 H new ATOM 0 HB THR A 33 -9.401 10.868 5.141 1.00 0.83 H new ATOM 0 HG1 THR A 33 -8.635 8.789 6.097 1.00 1.09 H new ATOM 0 HG21 THR A 33 -10.989 9.095 5.779 1.00 0.60 H new ATOM 0 HG22 THR A 33 -11.473 9.831 4.233 1.00 0.60 H new ATOM 0 HG23 THR A 33 -10.671 8.243 4.249 1.00 0.60 H new ATOM 500 N GLY A 34 -6.671 10.009 2.353 1.00 0.37 N ATOM 501 CA GLY A 34 -5.261 10.478 2.254 1.00 0.42 C ATOM 502 C GLY A 34 -5.221 11.998 2.083 1.00 0.59 C ATOM 503 O GLY A 34 -6.203 12.609 1.712 1.00 0.99 O ATOM 0 H GLY A 34 -6.903 9.190 1.791 1.00 0.37 H new ATOM 0 HA2 GLY A 34 -4.711 10.191 3.150 1.00 0.42 H new ATOM 0 HA3 GLY A 34 -4.768 9.997 1.409 1.00 0.42 H new ATOM 507 N VAL A 35 -4.084 12.578 2.357 1.00 0.50 N ATOM 508 CA VAL A 35 -3.963 14.060 2.216 1.00 0.59 C ATOM 509 C VAL A 35 -3.976 14.455 0.735 1.00 1.19 C ATOM 510 O VAL A 35 -2.966 14.855 0.189 1.00 2.00 O ATOM 511 CB VAL A 35 -2.651 14.518 2.852 1.00 0.79 C ATOM 512 CG1 VAL A 35 -2.641 16.045 2.946 1.00 0.86 C ATOM 513 CG2 VAL A 35 -2.540 13.927 4.259 1.00 1.05 C ATOM 0 H VAL A 35 -3.241 12.097 2.669 1.00 0.50 H new ATOM 0 HA VAL A 35 -4.806 14.537 2.716 1.00 0.59 H new ATOM 0 HB VAL A 35 -1.811 14.182 2.244 1.00 0.79 H new ATOM 0 HG11 VAL A 35 -1.706 16.376 3.399 1.00 0.86 H new ATOM 0 HG12 VAL A 35 -2.731 16.472 1.947 1.00 0.86 H new ATOM 0 HG13 VAL A 35 -3.479 16.377 3.559 1.00 0.86 H new ATOM 0 HG21 VAL A 35 -1.605 14.251 4.717 1.00 1.05 H new ATOM 0 HG22 VAL A 35 -3.379 14.270 4.865 1.00 1.05 H new ATOM 0 HG23 VAL A 35 -2.557 12.839 4.199 1.00 1.05 H new ATOM 523 N GLY A 36 -5.126 14.336 0.120 1.00 0.97 N ATOM 524 CA GLY A 36 -5.235 14.696 -1.325 1.00 1.67 C ATOM 525 C GLY A 36 -6.009 13.617 -2.088 1.00 1.91 C ATOM 526 O GLY A 36 -5.800 13.417 -3.268 1.00 2.77 O ATOM 0 H GLY A 36 -5.989 14.007 0.554 1.00 0.97 H new ATOM 0 HA2 GLY A 36 -5.739 15.657 -1.430 1.00 1.67 H new ATOM 0 HA3 GLY A 36 -4.239 14.810 -1.754 1.00 1.67 H new ATOM 530 N GLY A 37 -6.888 12.943 -1.397 1.00 1.22 N ATOM 531 CA GLY A 37 -7.682 11.877 -2.069 1.00 1.38 C ATOM 532 C GLY A 37 -6.773 10.728 -2.511 1.00 1.30 C ATOM 533 O GLY A 37 -7.053 10.049 -3.477 1.00 1.57 O ATOM 0 H GLY A 37 -7.089 13.083 -0.407 1.00 1.22 H new ATOM 0 HA2 GLY A 37 -8.447 11.502 -1.389 1.00 1.38 H new ATOM 0 HA3 GLY A 37 -8.200 12.292 -2.934 1.00 1.38 H new ATOM 537 N ARG A 38 -5.699 10.536 -1.794 1.00 1.03 N ATOM 538 CA ARG A 38 -4.763 9.433 -2.161 1.00 1.18 C ATOM 539 C ARG A 38 -5.207 8.125 -1.496 1.00 0.90 C ATOM 540 O ARG A 38 -5.366 8.060 -0.293 1.00 0.77 O ATOM 541 CB ARG A 38 -3.354 9.789 -1.690 1.00 1.26 C ATOM 542 CG ARG A 38 -3.068 11.257 -2.019 1.00 1.30 C ATOM 543 CD ARG A 38 -3.330 11.499 -3.507 1.00 0.77 C ATOM 544 NE ARG A 38 -2.776 10.357 -4.288 1.00 1.43 N ATOM 545 CZ ARG A 38 -2.019 10.597 -5.323 1.00 2.11 C ATOM 546 NH1 ARG A 38 -2.464 11.390 -6.258 1.00 2.86 N ATOM 547 NH2 ARG A 38 -0.841 10.039 -5.387 1.00 2.60 N ATOM 0 H ARG A 38 -5.430 11.088 -0.979 1.00 1.03 H new ATOM 0 HA ARG A 38 -4.769 9.303 -3.243 1.00 1.18 H new ATOM 0 HB2 ARG A 38 -3.263 9.620 -0.617 1.00 1.26 H new ATOM 0 HB3 ARG A 38 -2.621 9.145 -2.177 1.00 1.26 H new ATOM 0 HG2 ARG A 38 -3.701 11.907 -1.415 1.00 1.30 H new ATOM 0 HG3 ARG A 38 -2.034 11.502 -1.775 1.00 1.30 H new ATOM 0 HD2 ARG A 38 -4.400 11.597 -3.690 1.00 0.77 H new ATOM 0 HD3 ARG A 38 -2.866 12.433 -3.824 1.00 0.77 H new ATOM 0 HE ARG A 38 -2.987 9.397 -4.016 1.00 1.43 H new ATOM 0 HH11 ARG A 38 -3.389 11.811 -6.172 1.00 2.86 H new ATOM 0 HH12 ARG A 38 -1.887 11.590 -7.075 1.00 2.86 H new ATOM 0 HH21 ARG A 38 -0.525 9.426 -4.635 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -0.236 10.216 -6.189 1.00 2.60 H new ATOM 561 N LEU A 39 -5.397 7.112 -2.295 1.00 0.82 N ATOM 562 CA LEU A 39 -5.828 5.802 -1.726 1.00 0.56 C ATOM 563 C LEU A 39 -4.610 5.041 -1.188 1.00 0.67 C ATOM 564 O LEU A 39 -3.809 4.533 -1.946 1.00 1.05 O ATOM 565 CB LEU A 39 -6.515 4.983 -2.828 1.00 0.41 C ATOM 566 CG LEU A 39 -6.723 3.534 -2.358 1.00 0.48 C ATOM 567 CD1 LEU A 39 -7.388 3.532 -0.979 1.00 0.89 C ATOM 568 CD2 LEU A 39 -7.636 2.815 -3.352 1.00 0.20 C ATOM 0 H LEU A 39 -5.274 7.132 -3.307 1.00 0.82 H new ATOM 0 HA LEU A 39 -6.525 5.968 -0.905 1.00 0.56 H new ATOM 0 HB2 LEU A 39 -7.475 5.433 -3.081 1.00 0.41 H new ATOM 0 HB3 LEU A 39 -5.908 4.996 -3.733 1.00 0.41 H new ATOM 0 HG LEU A 39 -5.760 3.028 -2.299 1.00 0.48 H new ATOM 0 HD11 LEU A 39 -7.535 2.504 -0.647 1.00 0.89 H new ATOM 0 HD12 LEU A 39 -6.750 4.056 -0.267 1.00 0.89 H new ATOM 0 HD13 LEU A 39 -8.353 4.035 -1.040 1.00 0.89 H new ATOM 0 HD21 LEU A 39 -7.789 1.786 -3.027 1.00 0.20 H new ATOM 0 HD22 LEU A 39 -8.597 3.327 -3.400 1.00 0.20 H new ATOM 0 HD23 LEU A 39 -7.174 2.818 -4.339 1.00 0.20 H new ATOM 580 N THR A 40 -4.500 4.982 0.110 1.00 0.49 N ATOM 581 CA THR A 40 -3.344 4.260 0.713 1.00 0.59 C ATOM 582 C THR A 40 -3.681 2.776 0.894 1.00 0.50 C ATOM 583 O THR A 40 -4.790 2.354 0.633 1.00 0.50 O ATOM 584 CB THR A 40 -3.021 4.882 2.076 1.00 0.69 C ATOM 585 OG1 THR A 40 -3.968 4.308 2.971 1.00 0.82 O ATOM 586 CG2 THR A 40 -3.308 6.381 2.089 1.00 0.70 C ATOM 0 H THR A 40 -5.153 5.398 0.774 1.00 0.49 H new ATOM 0 HA THR A 40 -2.482 4.346 0.051 1.00 0.59 H new ATOM 0 HB THR A 40 -1.973 4.712 2.324 1.00 0.69 H new ATOM 0 HG1 THR A 40 -4.834 4.752 2.860 1.00 0.82 H new ATOM 0 HG21 THR A 40 -3.068 6.789 3.071 1.00 0.70 H new ATOM 0 HG22 THR A 40 -2.699 6.875 1.332 1.00 0.70 H new ATOM 0 HG23 THR A 40 -4.363 6.551 1.874 1.00 0.70 H new ATOM 594 N ARG A 41 -2.717 2.019 1.337 1.00 0.67 N ATOM 595 CA ARG A 41 -2.964 0.562 1.539 1.00 0.71 C ATOM 596 C ARG A 41 -3.523 0.311 2.944 1.00 0.66 C ATOM 597 O ARG A 41 -3.902 -0.795 3.275 1.00 0.73 O ATOM 598 CB ARG A 41 -1.646 -0.195 1.372 1.00 1.02 C ATOM 599 CG ARG A 41 -1.945 -1.667 1.072 1.00 1.25 C ATOM 600 CD ARG A 41 -0.901 -2.542 1.769 1.00 1.48 C ATOM 601 NE ARG A 41 0.459 -2.027 1.442 1.00 0.90 N ATOM 602 CZ ARG A 41 1.280 -2.776 0.759 1.00 2.10 C ATOM 603 NH1 ARG A 41 0.983 -3.074 -0.476 1.00 3.48 N ATOM 604 NH2 ARG A 41 2.373 -3.198 1.334 1.00 2.15 N ATOM 0 H ARG A 41 -1.777 2.341 1.567 1.00 0.67 H new ATOM 0 HA ARG A 41 -3.689 0.214 0.804 1.00 0.71 H new ATOM 0 HB2 ARG A 41 -1.062 0.242 0.562 1.00 1.02 H new ATOM 0 HB3 ARG A 41 -1.047 -0.111 2.279 1.00 1.02 H new ATOM 0 HG2 ARG A 41 -2.945 -1.926 1.419 1.00 1.25 H new ATOM 0 HG3 ARG A 41 -1.926 -1.843 -0.004 1.00 1.25 H new ATOM 0 HD2 ARG A 41 -1.059 -2.530 2.847 1.00 1.48 H new ATOM 0 HD3 ARG A 41 -1.000 -3.578 1.444 1.00 1.48 H new ATOM 0 HE ARG A 41 0.745 -1.097 1.749 1.00 0.90 H new ATOM 0 HH11 ARG A 41 0.121 -2.722 -0.892 1.00 3.48 H new ATOM 0 HH12 ARG A 41 1.613 -3.658 -1.025 1.00 3.48 H new ATOM 0 HH21 ARG A 41 2.573 -2.941 2.301 1.00 2.15 H new ATOM 0 HH22 ARG A 41 3.028 -3.785 0.817 1.00 2.15 H new ATOM 618 N GLU A 42 -3.562 1.346 3.738 1.00 0.58 N ATOM 619 CA GLU A 42 -4.091 1.187 5.124 1.00 0.54 C ATOM 620 C GLU A 42 -5.613 1.372 5.135 1.00 0.41 C ATOM 621 O GLU A 42 -6.254 1.203 6.152 1.00 0.54 O ATOM 622 CB GLU A 42 -3.445 2.233 6.030 1.00 0.64 C ATOM 623 CG GLU A 42 -1.923 2.101 5.944 1.00 1.28 C ATOM 624 CD GLU A 42 -1.343 2.011 7.357 1.00 1.53 C ATOM 625 OE1 GLU A 42 -1.483 0.944 7.933 1.00 2.45 O ATOM 626 OE2 GLU A 42 -0.793 3.015 7.780 1.00 1.52 O ATOM 0 H GLU A 42 -3.254 2.287 3.491 1.00 0.58 H new ATOM 0 HA GLU A 42 -3.855 0.186 5.485 1.00 0.54 H new ATOM 0 HB2 GLU A 42 -3.753 3.234 5.727 1.00 0.64 H new ATOM 0 HB3 GLU A 42 -3.777 2.095 7.059 1.00 0.64 H new ATOM 0 HG2 GLU A 42 -1.655 1.213 5.371 1.00 1.28 H new ATOM 0 HG3 GLU A 42 -1.501 2.958 5.419 1.00 1.28 H new ATOM 633 N ASP A 43 -6.157 1.718 3.999 1.00 0.22 N ATOM 634 CA ASP A 43 -7.633 1.919 3.927 1.00 0.30 C ATOM 635 C ASP A 43 -8.320 0.622 3.486 1.00 0.50 C ATOM 636 O ASP A 43 -9.425 0.331 3.899 1.00 0.64 O ATOM 637 CB ASP A 43 -7.939 3.026 2.921 1.00 0.25 C ATOM 638 CG ASP A 43 -7.801 4.385 3.609 1.00 0.27 C ATOM 639 OD1 ASP A 43 -8.669 4.675 4.415 1.00 1.06 O ATOM 640 OD2 ASP A 43 -6.834 5.059 3.288 1.00 0.72 O ATOM 0 H ASP A 43 -5.650 1.869 3.127 1.00 0.22 H new ATOM 0 HA ASP A 43 -8.007 2.200 4.912 1.00 0.30 H new ATOM 0 HB2 ASP A 43 -7.256 2.963 2.074 1.00 0.25 H new ATOM 0 HB3 ASP A 43 -8.948 2.906 2.526 1.00 0.25 H new ATOM 645 N VAL A 44 -7.650 -0.129 2.656 1.00 0.62 N ATOM 646 CA VAL A 44 -8.250 -1.409 2.179 1.00 0.83 C ATOM 647 C VAL A 44 -7.963 -2.533 3.180 1.00 0.93 C ATOM 648 O VAL A 44 -8.537 -3.601 3.099 1.00 0.89 O ATOM 649 CB VAL A 44 -7.646 -1.768 0.822 1.00 0.93 C ATOM 650 CG1 VAL A 44 -8.542 -2.797 0.129 1.00 1.18 C ATOM 651 CG2 VAL A 44 -7.565 -0.509 -0.042 1.00 0.72 C ATOM 0 H VAL A 44 -6.722 0.084 2.290 1.00 0.62 H new ATOM 0 HA VAL A 44 -9.329 -1.288 2.086 1.00 0.83 H new ATOM 0 HB VAL A 44 -6.648 -2.183 0.962 1.00 0.93 H new ATOM 0 HG11 VAL A 44 -8.116 -3.057 -0.840 1.00 1.18 H new ATOM 0 HG12 VAL A 44 -8.612 -3.693 0.746 1.00 1.18 H new ATOM 0 HG13 VAL A 44 -9.537 -2.376 -0.014 1.00 1.18 H new ATOM 0 HG21 VAL A 44 -7.135 -0.760 -1.011 1.00 0.72 H new ATOM 0 HG22 VAL A 44 -8.565 -0.100 -0.184 1.00 0.72 H new ATOM 0 HG23 VAL A 44 -6.937 0.232 0.453 1.00 0.72 H new ATOM 661 N GLU A 45 -7.079 -2.268 4.104 1.00 1.07 N ATOM 662 CA GLU A 45 -6.745 -3.310 5.119 1.00 1.18 C ATOM 663 C GLU A 45 -8.011 -3.747 5.862 1.00 1.16 C ATOM 664 O GLU A 45 -8.270 -4.924 6.015 1.00 1.13 O ATOM 665 CB GLU A 45 -5.740 -2.735 6.115 1.00 1.42 C ATOM 666 CG GLU A 45 -5.480 -3.765 7.216 1.00 2.09 C ATOM 667 CD GLU A 45 -6.482 -3.554 8.353 1.00 3.55 C ATOM 668 OE1 GLU A 45 -6.366 -2.522 8.992 1.00 3.98 O ATOM 669 OE2 GLU A 45 -7.306 -4.439 8.518 1.00 4.58 O ATOM 0 H GLU A 45 -6.578 -1.385 4.200 1.00 1.07 H new ATOM 0 HA GLU A 45 -6.314 -4.176 4.617 1.00 1.18 H new ATOM 0 HB2 GLU A 45 -4.809 -2.485 5.607 1.00 1.42 H new ATOM 0 HB3 GLU A 45 -6.126 -1.812 6.547 1.00 1.42 H new ATOM 0 HG2 GLU A 45 -5.574 -4.774 6.815 1.00 2.09 H new ATOM 0 HG3 GLU A 45 -4.461 -3.665 7.590 1.00 2.09 H new ATOM 676 N LYS A 46 -8.773 -2.785 6.309 1.00 1.21 N ATOM 677 CA LYS A 46 -10.028 -3.125 7.042 1.00 1.26 C ATOM 678 C LYS A 46 -11.107 -3.578 6.055 1.00 1.10 C ATOM 679 O LYS A 46 -12.281 -3.347 6.265 1.00 1.34 O ATOM 680 CB LYS A 46 -10.514 -1.890 7.798 1.00 1.36 C ATOM 681 CG LYS A 46 -9.306 -1.061 8.238 1.00 0.49 C ATOM 682 CD LYS A 46 -9.760 -0.022 9.266 1.00 0.89 C ATOM 683 CE LYS A 46 -9.610 -0.609 10.670 1.00 1.16 C ATOM 684 NZ LYS A 46 -8.170 -0.767 11.018 1.00 1.74 N ATOM 0 H LYS A 46 -8.584 -1.788 6.200 1.00 1.21 H new ATOM 0 HA LYS A 46 -9.829 -3.935 7.743 1.00 1.26 H new ATOM 0 HB2 LYS A 46 -11.167 -1.293 7.162 1.00 1.36 H new ATOM 0 HB3 LYS A 46 -11.101 -2.188 8.667 1.00 1.36 H new ATOM 0 HG2 LYS A 46 -8.543 -1.708 8.670 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -8.855 -0.567 7.377 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -9.164 0.885 9.172 1.00 0.89 H new ATOM 0 HD3 LYS A 46 -10.798 0.258 9.084 1.00 0.89 H new ATOM 0 HE2 LYS A 46 -10.097 0.042 11.397 1.00 1.16 H new ATOM 0 HE3 LYS A 46 -10.111 -1.576 10.722 1.00 1.16 H new ATOM 0 HZ1 LYS A 46 -8.057 -0.733 12.051 1.00 1.74 H new ATOM 0 HZ2 LYS A 46 -7.825 -1.681 10.661 1.00 1.74 H new ATOM 0 HZ3 LYS A 46 -7.622 0.003 10.584 1.00 1.74 H new ATOM 698 N HIS A 47 -10.681 -4.214 4.995 1.00 0.94 N ATOM 699 CA HIS A 47 -11.663 -4.692 3.976 1.00 0.76 C ATOM 700 C HIS A 47 -11.252 -6.075 3.460 1.00 0.63 C ATOM 701 O HIS A 47 -12.089 -6.905 3.165 1.00 0.69 O ATOM 702 CB HIS A 47 -11.692 -3.701 2.812 1.00 0.63 C ATOM 703 CG HIS A 47 -13.086 -3.699 2.180 1.00 0.72 C ATOM 704 ND1 HIS A 47 -14.061 -3.028 2.594 1.00 0.76 N ATOM 705 CD2 HIS A 47 -13.557 -4.387 1.078 1.00 0.85 C ATOM 706 CE1 HIS A 47 -15.091 -3.218 1.874 1.00 0.92 C ATOM 707 NE2 HIS A 47 -14.862 -4.073 0.879 1.00 0.98 N ATOM 0 H HIS A 47 -9.703 -4.422 4.791 1.00 0.94 H new ATOM 0 HA HIS A 47 -12.652 -4.763 4.429 1.00 0.76 H new ATOM 0 HB2 HIS A 47 -11.439 -2.701 3.165 1.00 0.63 H new ATOM 0 HB3 HIS A 47 -10.944 -3.975 2.068 1.00 0.63 H new ATOM 0 HD2 HIS A 47 -12.978 -5.067 0.471 1.00 0.85 H new ATOM 0 HE1 HIS A 47 -16.044 -2.740 2.049 1.00 0.92 H new ATOM 0 HE2 HIS A 47 -15.501 -4.405 0.156 1.00 0.98 H new ATOM 715 N LEU A 48 -9.968 -6.291 3.362 1.00 0.53 N ATOM 716 CA LEU A 48 -9.481 -7.614 2.869 1.00 0.49 C ATOM 717 C LEU A 48 -9.815 -8.711 3.886 1.00 0.67 C ATOM 718 O LEU A 48 -10.487 -9.671 3.569 1.00 1.76 O ATOM 719 CB LEU A 48 -7.965 -7.547 2.672 1.00 0.37 C ATOM 720 CG LEU A 48 -7.658 -7.068 1.249 1.00 0.34 C ATOM 721 CD1 LEU A 48 -6.304 -6.356 1.240 1.00 0.46 C ATOM 722 CD2 LEU A 48 -7.595 -8.277 0.313 1.00 0.25 C ATOM 0 H LEU A 48 -9.240 -5.617 3.599 1.00 0.53 H new ATOM 0 HA LEU A 48 -9.970 -7.848 1.923 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -7.522 -6.867 3.400 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -7.521 -8.528 2.841 1.00 0.37 H new ATOM 0 HG LEU A 48 -8.438 -6.384 0.915 1.00 0.34 H new ATOM 0 HD11 LEU A 48 -6.080 -6.013 0.230 1.00 0.46 H new ATOM 0 HD12 LEU A 48 -6.338 -5.501 1.915 1.00 0.46 H new ATOM 0 HD13 LEU A 48 -5.528 -7.047 1.569 1.00 0.46 H new ATOM 0 HD21 LEU A 48 -7.377 -7.941 -0.701 1.00 0.25 H new ATOM 0 HD22 LEU A 48 -6.810 -8.956 0.647 1.00 0.25 H new ATOM 0 HD23 LEU A 48 -8.553 -8.797 0.325 1.00 0.25 H new ATOM 734 N ALA A 49 -9.335 -8.543 5.088 1.00 0.40 N ATOM 735 CA ALA A 49 -9.614 -9.568 6.138 1.00 0.34 C ATOM 736 C ALA A 49 -10.993 -9.328 6.760 1.00 1.44 C ATOM 737 O ALA A 49 -11.697 -8.410 6.383 1.00 2.39 O ATOM 738 CB ALA A 49 -8.543 -9.475 7.224 1.00 1.78 C ATOM 0 H ALA A 49 -8.768 -7.750 5.388 1.00 0.40 H new ATOM 0 HA ALA A 49 -9.600 -10.559 5.684 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -8.740 -10.221 7.994 1.00 1.78 H new ATOM 0 HB2 ALA A 49 -7.562 -9.658 6.785 1.00 1.78 H new ATOM 0 HB3 ALA A 49 -8.561 -8.480 7.669 1.00 1.78 H new ATOM 744 N LYS A 50 -11.351 -10.159 7.700 1.00 1.79 N ATOM 745 CA LYS A 50 -12.680 -9.994 8.357 1.00 3.16 C ATOM 746 C LYS A 50 -12.744 -8.653 9.095 1.00 4.03 C ATOM 747 O LYS A 50 -12.053 -8.445 10.071 1.00 4.25 O ATOM 748 CB LYS A 50 -12.889 -11.134 9.355 1.00 3.34 C ATOM 749 CG LYS A 50 -12.824 -12.469 8.611 1.00 3.32 C ATOM 750 CD LYS A 50 -12.774 -13.610 9.630 1.00 4.03 C ATOM 751 CE LYS A 50 -14.024 -13.552 10.510 1.00 5.34 C ATOM 752 NZ LYS A 50 -13.812 -12.626 11.659 1.00 5.43 N ATOM 0 H LYS A 50 -10.787 -10.938 8.040 1.00 1.79 H new ATOM 0 HA LYS A 50 -13.461 -10.015 7.597 1.00 3.16 H new ATOM 0 HB2 LYS A 50 -12.125 -11.099 10.132 1.00 3.34 H new ATOM 0 HB3 LYS A 50 -13.853 -11.027 9.852 1.00 3.34 H new ATOM 0 HG2 LYS A 50 -13.694 -12.581 7.964 1.00 3.32 H new ATOM 0 HG3 LYS A 50 -11.943 -12.499 7.970 1.00 3.32 H new ATOM 0 HD2 LYS A 50 -12.720 -14.570 9.117 1.00 4.03 H new ATOM 0 HD3 LYS A 50 -11.878 -13.526 10.244 1.00 4.03 H new ATOM 0 HE2 LYS A 50 -14.877 -13.218 9.919 1.00 5.34 H new ATOM 0 HE3 LYS A 50 -14.263 -14.550 10.879 1.00 5.34 H new ATOM 0 HZ1 LYS A 50 -14.067 -13.108 12.545 1.00 5.43 H new ATOM 0 HZ2 LYS A 50 -12.813 -12.341 11.695 1.00 5.43 H new ATOM 0 HZ3 LYS A 50 -14.409 -11.783 11.540 1.00 5.43 H new ATOM 766 N ALA A 51 -13.574 -7.771 8.610 1.00 5.06 N ATOM 767 CA ALA A 51 -13.696 -6.439 9.269 1.00 6.28 C ATOM 768 C ALA A 51 -15.132 -5.916 9.148 1.00 7.61 C ATOM 769 O ALA A 51 -15.704 -5.656 10.193 1.00 8.25 O ATOM 770 CB ALA A 51 -12.738 -5.458 8.596 1.00 6.50 C ATOM 771 OXT ALA A 51 -15.573 -5.808 8.016 1.00 8.09 O ATOM 0 H ALA A 51 -14.168 -7.912 7.793 1.00 5.06 H new ATOM 0 HA ALA A 51 -13.446 -6.538 10.325 1.00 6.28 H new ATOM 0 HB1 ALA A 51 -12.822 -4.482 9.073 1.00 6.50 H new ATOM 0 HB2 ALA A 51 -11.716 -5.823 8.694 1.00 6.50 H new ATOM 0 HB3 ALA A 51 -12.992 -5.369 7.540 1.00 6.50 H new TER 777 ALA A 51