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= 0.901 (180deg=0.859) 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= -1.23! K(o=-1.2!,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.49) USER MOD Single : A 9 ASN : amide:sc= -0.618! C(o=-0.62!,f=-4.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0698 X(o=-0.07,f=-0.013) USER MOD Single : A 24 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.51) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.209) USER MOD Single : A 33 THR OG1 : rot -86:sc= 0.355 USER MOD Single : A 40 THR OG1 : rot -91:sc= 1.04 USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= -0.113 (180deg=-0.765) USER MOD Single : A 47 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-8.2!) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= -1.1 (180deg=-1.46) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 25.884 6.538 8.616 1.00 12.06 N ATOM 2 CA TYR A 1 24.517 6.747 9.177 1.00 12.63 C ATOM 3 C TYR A 1 23.577 7.223 8.066 1.00 11.59 C ATOM 4 O TYR A 1 22.424 7.518 8.309 1.00 11.90 O ATOM 5 CB TYR A 1 24.547 7.791 10.293 1.00 14.02 C ATOM 6 CG TYR A 1 25.970 8.334 10.441 1.00 14.53 C ATOM 7 CD1 TYR A 1 26.537 9.092 9.437 1.00 13.82 C ATOM 8 CD2 TYR A 1 26.705 8.074 11.579 1.00 15.84 C ATOM 9 CE1 TYR A 1 27.820 9.582 9.569 1.00 14.40 C ATOM 10 CE2 TYR A 1 27.989 8.564 11.711 1.00 16.38 C ATOM 11 CZ TYR A 1 28.556 9.322 10.707 1.00 15.66 C ATOM 12 OH TYR A 1 29.839 9.813 10.839 1.00 16.30 O ATOM 0 H1 TYR A 1 26.542 6.297 9.385 1.00 12.06 H new ATOM 0 H2 TYR A 1 25.860 5.762 7.924 1.00 12.06 H new ATOM 0 H3 TYR A 1 26.204 7.410 8.147 1.00 12.06 H new ATOM 0 HA TYR A 1 24.161 5.802 9.588 1.00 12.63 H new ATOM 0 HB2 TYR A 1 23.857 8.604 10.065 1.00 14.02 H new ATOM 0 HB3 TYR A 1 24.216 7.346 11.231 1.00 14.02 H new ATOM 0 HD1 TYR A 1 25.972 9.303 8.541 1.00 13.82 H new ATOM 0 HD2 TYR A 1 26.273 7.483 12.373 1.00 15.84 H new ATOM 0 HE1 TYR A 1 28.252 10.174 8.775 1.00 14.40 H new ATOM 0 HE2 TYR A 1 28.554 8.352 12.607 1.00 16.38 H new ATOM 0 HH TYR A 1 30.208 9.535 11.703 1.00 16.30 H new ATOM 24 N ALA A 2 24.091 7.287 6.867 1.00 10.50 N ATOM 25 CA ALA A 2 23.239 7.742 5.729 1.00 9.50 C ATOM 26 C ALA A 2 23.663 7.036 4.436 1.00 8.33 C ATOM 27 O ALA A 2 24.805 6.651 4.282 1.00 8.39 O ATOM 28 CB ALA A 2 23.396 9.252 5.561 1.00 9.86 C ATOM 0 H ALA A 2 25.053 7.047 6.627 1.00 10.50 H new ATOM 0 HA ALA A 2 22.198 7.497 5.938 1.00 9.50 H new ATOM 0 HB1 ALA A 2 22.776 9.592 4.731 1.00 9.86 H new ATOM 0 HB2 ALA A 2 23.084 9.754 6.477 1.00 9.86 H new ATOM 0 HB3 ALA A 2 24.440 9.489 5.355 1.00 9.86 H new ATOM 34 N SER A 3 22.733 6.884 3.534 1.00 7.37 N ATOM 35 CA SER A 3 23.064 6.208 2.246 1.00 6.24 C ATOM 36 C SER A 3 22.139 6.709 1.132 1.00 5.13 C ATOM 37 O SER A 3 21.504 7.737 1.266 1.00 5.34 O ATOM 38 CB SER A 3 22.887 4.700 2.414 1.00 6.31 C ATOM 39 OG SER A 3 24.092 4.150 1.903 1.00 6.16 O ATOM 0 H SER A 3 21.766 7.195 3.630 1.00 7.37 H new ATOM 0 HA SER A 3 24.095 6.435 1.976 1.00 6.24 H new ATOM 0 HB2 SER A 3 22.738 4.430 3.460 1.00 6.31 H new ATOM 0 HB3 SER A 3 22.019 4.337 1.864 1.00 6.31 H new ATOM 0 HG SER A 3 24.062 3.173 1.975 1.00 6.16 H new ATOM 45 N LEU A 4 22.087 5.973 0.055 1.00 4.11 N ATOM 46 CA LEU A 4 21.208 6.393 -1.079 1.00 3.04 C ATOM 47 C LEU A 4 19.843 6.843 -0.547 1.00 3.17 C ATOM 48 O LEU A 4 19.303 7.841 -0.983 1.00 3.32 O ATOM 49 CB LEU A 4 21.009 5.218 -2.048 1.00 2.01 C ATOM 50 CG LEU A 4 22.188 4.239 -1.943 1.00 2.77 C ATOM 51 CD1 LEU A 4 22.045 3.170 -3.027 1.00 2.47 C ATOM 52 CD2 LEU A 4 23.504 4.994 -2.160 1.00 3.66 C ATOM 0 H LEU A 4 22.608 5.108 -0.090 1.00 4.11 H new ATOM 0 HA LEU A 4 21.684 7.222 -1.602 1.00 3.04 H new ATOM 0 HB2 LEU A 4 20.077 4.702 -1.819 1.00 2.01 H new ATOM 0 HB3 LEU A 4 20.925 5.589 -3.069 1.00 2.01 H new ATOM 0 HG LEU A 4 22.191 3.776 -0.956 1.00 2.77 H new ATOM 0 HD11 LEU A 4 22.878 2.470 -2.960 1.00 2.47 H new ATOM 0 HD12 LEU A 4 21.107 2.632 -2.886 1.00 2.47 H new ATOM 0 HD13 LEU A 4 22.048 3.644 -4.008 1.00 2.47 H new ATOM 0 HD21 LEU A 4 24.339 4.298 -2.085 1.00 3.66 H new ATOM 0 HD22 LEU A 4 23.501 5.453 -3.149 1.00 3.66 H new ATOM 0 HD23 LEU A 4 23.608 5.769 -1.401 1.00 3.66 H new ATOM 64 N GLU A 5 19.316 6.097 0.385 1.00 3.54 N ATOM 65 CA GLU A 5 17.989 6.467 0.958 1.00 3.83 C ATOM 66 C GLU A 5 18.177 7.316 2.220 1.00 4.96 C ATOM 67 O GLU A 5 18.088 6.819 3.325 1.00 5.76 O ATOM 68 CB GLU A 5 17.223 5.193 1.310 1.00 4.26 C ATOM 69 CG GLU A 5 17.380 4.183 0.171 1.00 3.46 C ATOM 70 CD GLU A 5 16.037 3.495 -0.084 1.00 4.28 C ATOM 71 OE1 GLU A 5 15.245 4.101 -0.789 1.00 4.05 O ATOM 72 OE2 GLU A 5 15.879 2.404 0.438 1.00 5.46 O ATOM 0 H GLU A 5 19.741 5.255 0.772 1.00 3.54 H new ATOM 0 HA GLU A 5 17.429 7.046 0.224 1.00 3.83 H new ATOM 0 HB2 GLU A 5 17.602 4.772 2.241 1.00 4.26 H new ATOM 0 HB3 GLU A 5 16.169 5.420 1.469 1.00 4.26 H new ATOM 0 HG2 GLU A 5 17.721 4.687 -0.733 1.00 3.46 H new ATOM 0 HG3 GLU A 5 18.138 3.443 0.428 1.00 3.46 H new ATOM 79 N GLU A 6 18.435 8.581 2.027 1.00 5.26 N ATOM 80 CA GLU A 6 18.635 9.477 3.204 1.00 6.52 C ATOM 81 C GLU A 6 17.427 9.400 4.143 1.00 6.67 C ATOM 82 O GLU A 6 17.555 9.033 5.295 1.00 7.21 O ATOM 83 CB GLU A 6 18.807 10.914 2.712 1.00 7.17 C ATOM 84 CG GLU A 6 20.086 11.010 1.879 1.00 7.19 C ATOM 85 CD GLU A 6 19.739 11.513 0.477 1.00 6.88 C ATOM 86 OE1 GLU A 6 19.337 12.662 0.398 1.00 7.88 O ATOM 87 OE2 GLU A 6 19.896 10.721 -0.437 1.00 5.83 O ATOM 0 H GLU A 6 18.516 9.030 1.115 1.00 5.26 H new ATOM 0 HA GLU A 6 19.524 9.159 3.750 1.00 6.52 H new ATOM 0 HB2 GLU A 6 17.946 11.212 2.114 1.00 7.17 H new ATOM 0 HB3 GLU A 6 18.858 11.598 3.559 1.00 7.17 H new ATOM 0 HG2 GLU A 6 20.794 11.687 2.356 1.00 7.19 H new ATOM 0 HG3 GLU A 6 20.569 10.035 1.819 1.00 7.19 H new ATOM 94 N GLN A 7 16.278 9.746 3.629 1.00 6.32 N ATOM 95 CA GLN A 7 15.052 9.700 4.480 1.00 6.47 C ATOM 96 C GLN A 7 14.514 8.268 4.559 1.00 5.61 C ATOM 97 O GLN A 7 15.080 7.356 3.989 1.00 4.92 O ATOM 98 CB GLN A 7 13.989 10.613 3.873 1.00 6.58 C ATOM 99 CG GLN A 7 14.138 12.018 4.462 1.00 8.05 C ATOM 100 CD GLN A 7 13.160 12.965 3.763 1.00 8.43 C ATOM 101 OE1 GLN A 7 13.203 14.165 3.949 1.00 9.40 O ATOM 102 NE2 GLN A 7 12.266 12.468 2.954 1.00 7.90 N ATOM 0 H GLN A 7 16.134 10.055 2.668 1.00 6.32 H new ATOM 0 HA GLN A 7 15.301 10.036 5.487 1.00 6.47 H new ATOM 0 HB2 GLN A 7 14.097 10.647 2.789 1.00 6.58 H new ATOM 0 HB3 GLN A 7 12.993 10.221 4.082 1.00 6.58 H new ATOM 0 HG2 GLN A 7 13.940 11.998 5.534 1.00 8.05 H new ATOM 0 HG3 GLN A 7 15.161 12.372 4.333 1.00 8.05 H new ATOM 0 HE21 GLN A 7 12.226 11.461 2.795 1.00 7.90 H new ATOM 0 HE22 GLN A 7 11.607 13.086 2.481 1.00 7.90 H new ATOM 111 N ASN A 8 13.429 8.102 5.266 1.00 5.89 N ATOM 112 CA ASN A 8 12.839 6.737 5.396 1.00 5.32 C ATOM 113 C ASN A 8 12.209 6.303 4.068 1.00 3.74 C ATOM 114 O ASN A 8 12.551 6.813 3.019 1.00 3.09 O ATOM 115 CB ASN A 8 11.768 6.756 6.484 1.00 6.47 C ATOM 116 CG ASN A 8 11.978 7.981 7.377 1.00 7.49 C ATOM 117 OD1 ASN A 8 12.908 8.044 8.156 1.00 8.12 O ATOM 118 ND2 ASN A 8 11.136 8.975 7.296 1.00 7.92 N ATOM 0 H ASN A 8 12.929 8.844 5.755 1.00 5.89 H new ATOM 0 HA ASN A 8 13.626 6.031 5.660 1.00 5.32 H new ATOM 0 HB2 ASN A 8 10.776 6.785 6.034 1.00 6.47 H new ATOM 0 HB3 ASN A 8 11.821 5.844 7.079 1.00 6.47 H new ATOM 0 HD21 ASN A 8 11.261 9.798 7.885 1.00 7.92 H new ATOM 0 HD22 ASN A 8 10.353 8.928 6.644 1.00 7.92 H new ATOM 125 N ASN A 9 11.301 5.367 4.142 1.00 3.50 N ATOM 126 CA ASN A 9 10.638 4.886 2.894 1.00 2.02 C ATOM 127 C ASN A 9 10.195 6.077 2.039 1.00 1.52 C ATOM 128 O ASN A 9 9.766 7.091 2.555 1.00 2.71 O ATOM 129 CB ASN A 9 9.419 4.046 3.269 1.00 2.87 C ATOM 130 CG ASN A 9 9.762 3.162 4.469 1.00 4.17 C ATOM 131 OD1 ASN A 9 10.914 2.974 4.808 1.00 4.53 O ATOM 132 ND2 ASN A 9 8.793 2.600 5.140 1.00 5.12 N ATOM 0 H ASN A 9 10.991 4.918 5.004 1.00 3.50 H new ATOM 0 HA ASN A 9 11.343 4.284 2.321 1.00 2.02 H new ATOM 0 HB2 ASN A 9 8.577 4.695 3.510 1.00 2.87 H new ATOM 0 HB3 ASN A 9 9.115 3.429 2.424 1.00 2.87 H new ATOM 0 HD21 ASN A 9 9.005 2.008 5.943 1.00 5.12 H new ATOM 0 HD22 ASN A 9 7.824 2.753 4.861 1.00 5.12 H new ATOM 139 N ASP A 10 10.308 5.928 0.748 1.00 1.23 N ATOM 140 CA ASP A 10 9.896 7.040 -0.157 1.00 2.65 C ATOM 141 C ASP A 10 8.444 7.435 0.119 1.00 2.75 C ATOM 142 O ASP A 10 8.177 8.396 0.812 1.00 3.51 O ATOM 143 CB ASP A 10 10.037 6.582 -1.609 1.00 3.29 C ATOM 144 CG ASP A 10 11.494 6.199 -1.879 1.00 4.13 C ATOM 145 OD1 ASP A 10 12.289 7.120 -1.963 1.00 4.89 O ATOM 146 OD2 ASP A 10 11.728 5.006 -1.984 1.00 4.29 O ATOM 0 H ASP A 10 10.664 5.093 0.283 1.00 1.23 H new ATOM 0 HA ASP A 10 10.535 7.905 0.022 1.00 2.65 H new ATOM 0 HB2 ASP A 10 9.384 5.730 -1.799 1.00 3.29 H new ATOM 0 HB3 ASP A 10 9.727 7.378 -2.285 1.00 3.29 H new ATOM 151 N ALA A 11 7.544 6.683 -0.432 1.00 2.27 N ATOM 152 CA ALA A 11 6.098 6.985 -0.220 1.00 2.61 C ATOM 153 C ALA A 11 5.240 5.807 -0.693 1.00 2.42 C ATOM 154 O ALA A 11 4.930 4.915 0.071 1.00 2.25 O ATOM 155 CB ALA A 11 5.727 8.237 -1.013 1.00 3.53 C ATOM 0 H ALA A 11 7.739 5.873 -1.020 1.00 2.27 H new ATOM 0 HA ALA A 11 5.916 7.151 0.842 1.00 2.61 H new ATOM 0 HB1 ALA A 11 4.671 8.463 -0.863 1.00 3.53 H new ATOM 0 HB2 ALA A 11 6.331 9.077 -0.670 1.00 3.53 H new ATOM 0 HB3 ALA A 11 5.914 8.065 -2.073 1.00 3.53 H new ATOM 161 N LEU A 12 4.876 5.830 -1.946 1.00 2.55 N ATOM 162 CA LEU A 12 4.043 4.717 -2.486 1.00 2.41 C ATOM 163 C LEU A 12 4.890 3.448 -2.617 1.00 1.88 C ATOM 164 O LEU A 12 6.078 3.468 -2.357 1.00 1.70 O ATOM 165 CB LEU A 12 3.506 5.113 -3.862 1.00 2.72 C ATOM 166 CG LEU A 12 3.045 6.572 -3.824 1.00 3.50 C ATOM 167 CD1 LEU A 12 2.390 6.928 -5.160 1.00 3.76 C ATOM 168 CD2 LEU A 12 2.022 6.747 -2.700 1.00 3.52 C ATOM 0 H LEU A 12 5.116 6.563 -2.614 1.00 2.55 H new ATOM 0 HA LEU A 12 3.213 4.524 -1.806 1.00 2.41 H new ATOM 0 HB2 LEU A 12 4.280 4.984 -4.618 1.00 2.72 H new ATOM 0 HB3 LEU A 12 2.676 4.464 -4.142 1.00 2.72 H new ATOM 0 HG LEU A 12 3.901 7.224 -3.648 1.00 3.50 H new ATOM 0 HD11 LEU A 12 2.060 7.967 -5.138 1.00 3.76 H new ATOM 0 HD12 LEU A 12 3.111 6.794 -5.966 1.00 3.76 H new ATOM 0 HD13 LEU A 12 1.532 6.278 -5.329 1.00 3.76 H new ATOM 0 HD21 LEU A 12 1.690 7.785 -2.668 1.00 3.52 H new ATOM 0 HD22 LEU A 12 1.166 6.098 -2.883 1.00 3.52 H new ATOM 0 HD23 LEU A 12 2.480 6.483 -1.747 1.00 3.52 H new ATOM 180 N SER A 13 4.256 2.371 -3.017 1.00 1.72 N ATOM 181 CA SER A 13 5.003 1.084 -3.177 1.00 1.23 C ATOM 182 C SER A 13 4.768 0.516 -4.611 1.00 0.87 C ATOM 183 O SER A 13 3.641 0.471 -5.063 1.00 0.79 O ATOM 184 CB SER A 13 4.471 0.082 -2.152 1.00 1.23 C ATOM 185 OG SER A 13 5.625 -0.635 -1.737 1.00 1.35 O ATOM 0 H SER A 13 3.261 2.328 -3.238 1.00 1.72 H new ATOM 0 HA SER A 13 6.069 1.254 -3.025 1.00 1.23 H new ATOM 0 HB2 SER A 13 3.992 0.586 -1.313 1.00 1.23 H new ATOM 0 HB3 SER A 13 3.726 -0.581 -2.592 1.00 1.23 H new ATOM 0 HG SER A 13 5.371 -1.306 -1.069 1.00 1.35 H new ATOM 191 N PRO A 14 5.830 0.088 -5.310 1.00 0.82 N ATOM 192 CA PRO A 14 5.668 -0.463 -6.665 1.00 0.71 C ATOM 193 C PRO A 14 4.765 -1.703 -6.644 1.00 0.73 C ATOM 194 O PRO A 14 4.153 -2.047 -7.637 1.00 0.97 O ATOM 195 CB PRO A 14 7.079 -0.845 -7.125 1.00 0.81 C ATOM 196 CG PRO A 14 8.051 -0.538 -5.948 1.00 0.99 C ATOM 197 CD PRO A 14 7.227 0.117 -4.827 1.00 1.07 C ATOM 0 HA PRO A 14 5.201 0.259 -7.335 1.00 0.71 H new ATOM 0 HB2 PRO A 14 7.123 -1.900 -7.394 1.00 0.81 H new ATOM 0 HB3 PRO A 14 7.360 -0.278 -8.013 1.00 0.81 H new ATOM 0 HG2 PRO A 14 8.523 -1.454 -5.592 1.00 0.99 H new ATOM 0 HG3 PRO A 14 8.851 0.127 -6.275 1.00 0.99 H new ATOM 0 HD2 PRO A 14 7.332 -0.430 -3.890 1.00 1.07 H new ATOM 0 HD3 PRO A 14 7.558 1.138 -4.639 1.00 1.07 H new ATOM 205 N ALA A 15 4.702 -2.348 -5.509 1.00 0.79 N ATOM 206 CA ALA A 15 3.850 -3.570 -5.406 1.00 1.02 C ATOM 207 C ALA A 15 2.433 -3.198 -4.957 1.00 0.99 C ATOM 208 O ALA A 15 1.711 -4.022 -4.430 1.00 1.65 O ATOM 209 CB ALA A 15 4.471 -4.525 -4.389 1.00 1.38 C ATOM 0 H ALA A 15 5.198 -2.086 -4.657 1.00 0.79 H new ATOM 0 HA ALA A 15 3.792 -4.049 -6.384 1.00 1.02 H new ATOM 0 HB1 ALA A 15 3.855 -5.421 -4.307 1.00 1.38 H new ATOM 0 HB2 ALA A 15 5.473 -4.803 -4.715 1.00 1.38 H new ATOM 0 HB3 ALA A 15 4.529 -4.035 -3.417 1.00 1.38 H new ATOM 215 N ILE A 16 2.065 -1.965 -5.175 1.00 0.56 N ATOM 216 CA ILE A 16 0.698 -1.528 -4.765 1.00 0.51 C ATOM 217 C ILE A 16 -0.270 -1.637 -5.949 1.00 0.60 C ATOM 218 O ILE A 16 -1.414 -2.013 -5.787 1.00 0.95 O ATOM 219 CB ILE A 16 0.760 -0.077 -4.279 1.00 0.42 C ATOM 220 CG1 ILE A 16 -0.516 0.245 -3.497 1.00 0.41 C ATOM 221 CG2 ILE A 16 0.868 0.861 -5.483 1.00 0.47 C ATOM 222 CD1 ILE A 16 -0.502 1.723 -3.105 1.00 0.48 C ATOM 0 H ILE A 16 2.643 -1.248 -5.614 1.00 0.56 H new ATOM 0 HA ILE A 16 0.340 -2.171 -3.961 1.00 0.51 H new ATOM 0 HB ILE A 16 1.630 0.057 -3.636 1.00 0.42 H new ATOM 0 HG12 ILE A 16 -1.395 0.025 -4.104 1.00 0.41 H new ATOM 0 HG13 ILE A 16 -0.579 -0.380 -2.606 1.00 0.41 H new ATOM 0 HG21 ILE A 16 0.912 1.894 -5.137 1.00 0.47 H new ATOM 0 HG22 ILE A 16 1.772 0.628 -6.046 1.00 0.47 H new ATOM 0 HG23 ILE A 16 -0.003 0.730 -6.125 1.00 0.47 H new ATOM 0 HD11 ILE A 16 -1.408 1.960 -2.547 1.00 0.48 H new ATOM 0 HD12 ILE A 16 0.370 1.926 -2.484 1.00 0.48 H new ATOM 0 HD13 ILE A 16 -0.458 2.338 -4.004 1.00 0.48 H new ATOM 234 N ARG A 17 0.211 -1.305 -7.116 1.00 0.41 N ATOM 235 CA ARG A 17 -0.667 -1.382 -8.320 1.00 0.48 C ATOM 236 C ARG A 17 -0.986 -2.844 -8.651 1.00 0.64 C ATOM 237 O ARG A 17 -2.059 -3.155 -9.128 1.00 0.85 O ATOM 238 CB ARG A 17 0.054 -0.740 -9.505 1.00 0.44 C ATOM 239 CG ARG A 17 -0.284 0.752 -9.550 1.00 0.96 C ATOM 240 CD ARG A 17 0.672 1.455 -10.515 1.00 0.84 C ATOM 241 NE ARG A 17 2.053 1.395 -9.959 1.00 1.52 N ATOM 242 CZ ARG A 17 2.496 2.388 -9.238 1.00 2.09 C ATOM 243 NH1 ARG A 17 2.580 3.573 -9.781 1.00 2.28 N ATOM 244 NH2 ARG A 17 2.842 2.165 -8.001 1.00 3.23 N ATOM 0 H ARG A 17 1.165 -0.987 -7.288 1.00 0.41 H new ATOM 0 HA ARG A 17 -1.599 -0.854 -8.118 1.00 0.48 H new ATOM 0 HB2 ARG A 17 1.131 -0.879 -9.410 1.00 0.44 H new ATOM 0 HB3 ARG A 17 -0.248 -1.222 -10.435 1.00 0.44 H new ATOM 0 HG2 ARG A 17 -1.315 0.894 -9.873 1.00 0.96 H new ATOM 0 HG3 ARG A 17 -0.199 1.187 -8.554 1.00 0.96 H new ATOM 0 HD2 ARG A 17 0.639 0.976 -11.494 1.00 0.84 H new ATOM 0 HD3 ARG A 17 0.368 2.492 -10.657 1.00 0.84 H new ATOM 0 HE ARG A 17 2.646 0.585 -10.140 1.00 1.52 H new ATOM 0 HH11 ARG A 17 2.302 3.710 -10.753 1.00 2.28 H new ATOM 0 HH12 ARG A 17 2.924 4.362 -9.233 1.00 2.28 H new ATOM 0 HH21 ARG A 17 2.764 1.226 -7.611 1.00 3.23 H new ATOM 0 HH22 ARG A 17 3.190 2.930 -7.423 1.00 3.23 H new ATOM 258 N ARG A 18 -0.046 -3.710 -8.391 1.00 0.64 N ATOM 259 CA ARG A 18 -0.278 -5.156 -8.686 1.00 0.88 C ATOM 260 C ARG A 18 -0.988 -5.830 -7.508 1.00 0.92 C ATOM 261 O ARG A 18 -1.054 -7.041 -7.432 1.00 1.36 O ATOM 262 CB ARG A 18 1.066 -5.837 -8.929 1.00 0.97 C ATOM 263 CG ARG A 18 1.905 -4.970 -9.870 1.00 1.17 C ATOM 264 CD ARG A 18 2.624 -5.871 -10.875 1.00 1.38 C ATOM 265 NE ARG A 18 3.438 -6.873 -10.131 1.00 2.47 N ATOM 266 CZ ARG A 18 3.190 -8.145 -10.290 1.00 2.82 C ATOM 267 NH1 ARG A 18 2.909 -8.588 -11.484 1.00 2.73 N ATOM 268 NH2 ARG A 18 3.231 -8.929 -9.248 1.00 3.92 N ATOM 0 H ARG A 18 0.865 -3.485 -7.991 1.00 0.64 H new ATOM 0 HA ARG A 18 -0.906 -5.246 -9.572 1.00 0.88 H new ATOM 0 HB2 ARG A 18 1.590 -5.982 -7.984 1.00 0.97 H new ATOM 0 HB3 ARG A 18 0.914 -6.825 -9.364 1.00 0.97 H new ATOM 0 HG2 ARG A 18 1.267 -4.258 -10.393 1.00 1.17 H new ATOM 0 HG3 ARG A 18 2.630 -4.390 -9.300 1.00 1.17 H new ATOM 0 HD2 ARG A 18 1.900 -6.375 -11.515 1.00 1.38 H new ATOM 0 HD3 ARG A 18 3.263 -5.274 -11.526 1.00 1.38 H new ATOM 0 HE ARG A 18 4.182 -6.568 -9.503 1.00 2.47 H new ATOM 0 HH11 ARG A 18 2.886 -7.944 -12.275 1.00 2.73 H new ATOM 0 HH12 ARG A 18 2.713 -9.579 -11.627 1.00 2.73 H new ATOM 0 HH21 ARG A 18 3.454 -8.545 -8.330 1.00 3.92 H new ATOM 0 HH22 ARG A 18 3.040 -9.926 -9.352 1.00 3.92 H new ATOM 282 N LEU A 19 -1.505 -5.031 -6.614 1.00 0.48 N ATOM 283 CA LEU A 19 -2.215 -5.609 -5.434 1.00 0.49 C ATOM 284 C LEU A 19 -3.727 -5.619 -5.682 1.00 0.45 C ATOM 285 O LEU A 19 -4.408 -6.564 -5.338 1.00 0.45 O ATOM 286 CB LEU A 19 -1.906 -4.761 -4.201 1.00 0.52 C ATOM 287 CG LEU A 19 -2.329 -5.529 -2.946 1.00 0.49 C ATOM 288 CD1 LEU A 19 -1.119 -6.277 -2.382 1.00 0.52 C ATOM 289 CD2 LEU A 19 -2.842 -4.538 -1.900 1.00 0.47 C ATOM 0 H LEU A 19 -1.468 -4.012 -6.647 1.00 0.48 H new ATOM 0 HA LEU A 19 -1.877 -6.633 -5.275 1.00 0.49 H new ATOM 0 HB2 LEU A 19 -0.841 -4.531 -4.160 1.00 0.52 H new ATOM 0 HB3 LEU A 19 -2.436 -3.810 -4.256 1.00 0.52 H new ATOM 0 HG LEU A 19 -3.116 -6.240 -3.196 1.00 0.49 H new ATOM 0 HD11 LEU A 19 -1.415 -6.826 -1.488 1.00 0.52 H new ATOM 0 HD12 LEU A 19 -0.743 -6.976 -3.129 1.00 0.52 H new ATOM 0 HD13 LEU A 19 -0.336 -5.563 -2.127 1.00 0.52 H new ATOM 0 HD21 LEU A 19 -3.145 -5.079 -1.004 1.00 0.47 H new ATOM 0 HD22 LEU A 19 -2.050 -3.833 -1.648 1.00 0.47 H new ATOM 0 HD23 LEU A 19 -3.697 -3.995 -2.302 1.00 0.47 H new ATOM 301 N LEU A 20 -4.219 -4.566 -6.274 1.00 0.41 N ATOM 302 CA LEU A 20 -5.683 -4.498 -6.553 1.00 0.38 C ATOM 303 C LEU A 20 -6.027 -5.353 -7.777 1.00 0.35 C ATOM 304 O LEU A 20 -7.068 -5.978 -7.829 1.00 0.39 O ATOM 305 CB LEU A 20 -6.075 -3.045 -6.819 1.00 0.40 C ATOM 306 CG LEU A 20 -5.874 -2.229 -5.540 1.00 0.67 C ATOM 307 CD1 LEU A 20 -5.460 -0.804 -5.911 1.00 0.80 C ATOM 308 CD2 LEU A 20 -7.190 -2.185 -4.759 1.00 0.74 C ATOM 0 H LEU A 20 -3.677 -3.756 -6.575 1.00 0.41 H new ATOM 0 HA LEU A 20 -6.231 -4.879 -5.691 1.00 0.38 H new ATOM 0 HB2 LEU A 20 -5.469 -2.634 -7.626 1.00 0.40 H new ATOM 0 HB3 LEU A 20 -7.115 -2.989 -7.141 1.00 0.40 H new ATOM 0 HG LEU A 20 -5.098 -2.689 -4.928 1.00 0.67 H new ATOM 0 HD11 LEU A 20 -5.316 -0.219 -5.003 1.00 0.80 H new ATOM 0 HD12 LEU A 20 -4.529 -0.831 -6.477 1.00 0.80 H new ATOM 0 HD13 LEU A 20 -6.240 -0.345 -6.518 1.00 0.80 H new ATOM 0 HD21 LEU A 20 -7.052 -1.605 -3.847 1.00 0.74 H new ATOM 0 HD22 LEU A 20 -7.962 -1.719 -5.372 1.00 0.74 H new ATOM 0 HD23 LEU A 20 -7.494 -3.199 -4.501 1.00 0.74 H new ATOM 320 N ALA A 21 -5.143 -5.363 -8.735 1.00 0.45 N ATOM 321 CA ALA A 21 -5.400 -6.171 -9.963 1.00 0.66 C ATOM 322 C ALA A 21 -5.227 -7.663 -9.658 1.00 0.75 C ATOM 323 O ALA A 21 -5.491 -8.505 -10.493 1.00 1.10 O ATOM 324 CB ALA A 21 -4.412 -5.756 -11.051 1.00 0.76 C ATOM 0 H ALA A 21 -4.260 -4.852 -8.723 1.00 0.45 H new ATOM 0 HA ALA A 21 -6.421 -5.995 -10.302 1.00 0.66 H new ATOM 0 HB1 ALA A 21 -4.594 -6.343 -11.951 1.00 0.76 H new ATOM 0 HB2 ALA A 21 -4.542 -4.697 -11.276 1.00 0.76 H new ATOM 0 HB3 ALA A 21 -3.394 -5.931 -10.704 1.00 0.76 H new ATOM 330 N GLU A 22 -4.787 -7.957 -8.465 1.00 0.50 N ATOM 331 CA GLU A 22 -4.589 -9.388 -8.087 1.00 0.67 C ATOM 332 C GLU A 22 -5.837 -9.925 -7.379 1.00 0.74 C ATOM 333 O GLU A 22 -6.290 -11.018 -7.659 1.00 1.04 O ATOM 334 CB GLU A 22 -3.384 -9.495 -7.154 1.00 0.69 C ATOM 335 CG GLU A 22 -2.843 -10.925 -7.196 1.00 1.08 C ATOM 336 CD GLU A 22 -1.779 -11.029 -8.291 1.00 2.29 C ATOM 337 OE1 GLU A 22 -2.187 -11.083 -9.439 1.00 3.51 O ATOM 338 OE2 GLU A 22 -0.617 -11.050 -7.917 1.00 2.19 O ATOM 0 H GLU A 22 -4.557 -7.276 -7.741 1.00 0.50 H new ATOM 0 HA GLU A 22 -4.415 -9.978 -8.987 1.00 0.67 H new ATOM 0 HB2 GLU A 22 -2.609 -8.791 -7.458 1.00 0.69 H new ATOM 0 HB3 GLU A 22 -3.672 -9.232 -6.136 1.00 0.69 H new ATOM 0 HG2 GLU A 22 -2.415 -11.193 -6.230 1.00 1.08 H new ATOM 0 HG3 GLU A 22 -3.653 -11.627 -7.392 1.00 1.08 H new ATOM 345 N HIS A 23 -6.367 -9.141 -6.477 1.00 0.49 N ATOM 346 CA HIS A 23 -7.586 -9.586 -5.737 1.00 0.53 C ATOM 347 C HIS A 23 -8.835 -8.932 -6.339 1.00 0.42 C ATOM 348 O HIS A 23 -9.947 -9.313 -6.032 1.00 0.50 O ATOM 349 CB HIS A 23 -7.458 -9.176 -4.271 1.00 0.56 C ATOM 350 CG HIS A 23 -6.029 -9.443 -3.794 1.00 0.70 C ATOM 351 ND1 HIS A 23 -5.440 -10.547 -3.869 1.00 0.94 N ATOM 352 CD2 HIS A 23 -5.118 -8.584 -3.206 1.00 0.63 C ATOM 353 CE1 HIS A 23 -4.263 -10.476 -3.395 1.00 1.00 C ATOM 354 NE2 HIS A 23 -3.970 -9.258 -2.948 1.00 0.80 N ATOM 0 H HIS A 23 -6.013 -8.219 -6.222 1.00 0.49 H new ATOM 0 HA HIS A 23 -7.679 -10.669 -5.815 1.00 0.53 H new ATOM 0 HB2 HIS A 23 -7.701 -8.120 -4.154 1.00 0.56 H new ATOM 0 HB3 HIS A 23 -8.168 -9.736 -3.662 1.00 0.56 H new ATOM 0 HD2 HIS A 23 -5.293 -7.541 -2.987 1.00 0.63 H new ATOM 0 HE1 HIS A 23 -3.578 -11.310 -3.359 1.00 1.00 H new ATOM 0 HE2 HIS A 23 -3.107 -8.919 -2.522 1.00 0.80 H new ATOM 362 N ASN A 24 -8.621 -7.962 -7.184 1.00 0.41 N ATOM 363 CA ASN A 24 -9.785 -7.269 -7.813 1.00 0.58 C ATOM 364 C ASN A 24 -10.779 -6.829 -6.734 1.00 0.30 C ATOM 365 O ASN A 24 -11.634 -7.593 -6.326 1.00 0.37 O ATOM 366 CB ASN A 24 -10.471 -8.225 -8.790 1.00 0.92 C ATOM 367 CG ASN A 24 -10.281 -7.709 -10.218 1.00 1.83 C ATOM 368 OD1 ASN A 24 -10.421 -6.532 -10.488 1.00 2.99 O ATOM 369 ND2 ASN A 24 -9.964 -8.552 -11.161 1.00 1.67 N ATOM 0 H ASN A 24 -7.702 -7.620 -7.465 1.00 0.41 H new ATOM 0 HA ASN A 24 -9.435 -6.387 -8.349 1.00 0.58 H new ATOM 0 HB2 ASN A 24 -10.050 -9.226 -8.694 1.00 0.92 H new ATOM 0 HB3 ASN A 24 -11.533 -8.302 -8.557 1.00 0.92 H new ATOM 0 HD21 ASN A 24 -9.835 -8.222 -12.118 1.00 1.67 H new ATOM 0 HD22 ASN A 24 -9.845 -9.541 -10.942 1.00 1.67 H new ATOM 376 N LEU A 25 -10.639 -5.603 -6.294 1.00 0.45 N ATOM 377 CA LEU A 25 -11.559 -5.077 -5.236 1.00 0.32 C ATOM 378 C LEU A 25 -12.251 -3.801 -5.728 1.00 0.67 C ATOM 379 O LEU A 25 -11.640 -2.971 -6.372 1.00 0.89 O ATOM 380 CB LEU A 25 -10.745 -4.759 -3.981 1.00 0.35 C ATOM 381 CG LEU A 25 -10.090 -6.043 -3.463 1.00 0.88 C ATOM 382 CD1 LEU A 25 -8.797 -5.687 -2.728 1.00 1.42 C ATOM 383 CD2 LEU A 25 -11.043 -6.742 -2.490 1.00 1.26 C ATOM 0 H LEU A 25 -9.931 -4.945 -6.620 1.00 0.45 H new ATOM 0 HA LEU A 25 -12.316 -5.828 -5.011 1.00 0.32 H new ATOM 0 HB2 LEU A 25 -9.982 -4.014 -4.208 1.00 0.35 H new ATOM 0 HB3 LEU A 25 -11.390 -4.331 -3.214 1.00 0.35 H new ATOM 0 HG LEU A 25 -9.870 -6.705 -4.301 1.00 0.88 H new ATOM 0 HD11 LEU A 25 -8.327 -6.598 -2.357 1.00 1.42 H new ATOM 0 HD12 LEU A 25 -8.117 -5.180 -3.413 1.00 1.42 H new ATOM 0 HD13 LEU A 25 -9.025 -5.029 -1.889 1.00 1.42 H new ATOM 0 HD21 LEU A 25 -10.579 -7.656 -2.120 1.00 1.26 H new ATOM 0 HD22 LEU A 25 -11.258 -6.079 -1.652 1.00 1.26 H new ATOM 0 HD23 LEU A 25 -11.972 -6.989 -3.005 1.00 1.26 H new ATOM 395 N ASP A 26 -13.510 -3.674 -5.415 1.00 0.89 N ATOM 396 CA ASP A 26 -14.252 -2.458 -5.858 1.00 1.29 C ATOM 397 C ASP A 26 -13.848 -1.254 -5.004 1.00 1.05 C ATOM 398 O ASP A 26 -14.504 -0.926 -4.036 1.00 1.02 O ATOM 399 CB ASP A 26 -15.751 -2.705 -5.711 1.00 1.72 C ATOM 400 CG ASP A 26 -16.491 -1.367 -5.775 1.00 2.69 C ATOM 401 OD1 ASP A 26 -16.666 -0.899 -6.889 1.00 2.54 O ATOM 402 OD2 ASP A 26 -16.839 -0.889 -4.709 1.00 4.15 O ATOM 0 H ASP A 26 -14.053 -4.350 -4.878 1.00 0.89 H new ATOM 0 HA ASP A 26 -14.010 -2.250 -6.900 1.00 1.29 H new ATOM 0 HB2 ASP A 26 -16.102 -3.366 -6.503 1.00 1.72 H new ATOM 0 HB3 ASP A 26 -15.958 -3.204 -4.764 1.00 1.72 H new ATOM 407 N ALA A 27 -12.772 -0.621 -5.381 1.00 0.94 N ATOM 408 CA ALA A 27 -12.308 0.566 -4.604 1.00 0.71 C ATOM 409 C ALA A 27 -13.475 1.532 -4.367 1.00 0.71 C ATOM 410 O ALA A 27 -13.473 2.287 -3.415 1.00 0.62 O ATOM 411 CB ALA A 27 -11.209 1.278 -5.389 1.00 0.83 C ATOM 0 H ALA A 27 -12.197 -0.870 -6.186 1.00 0.94 H new ATOM 0 HA ALA A 27 -11.922 0.236 -3.639 1.00 0.71 H new ATOM 0 HB1 ALA A 27 -10.865 2.147 -4.827 1.00 0.83 H new ATOM 0 HB2 ALA A 27 -10.375 0.595 -5.548 1.00 0.83 H new ATOM 0 HB3 ALA A 27 -11.602 1.602 -6.353 1.00 0.83 H new ATOM 417 N SER A 28 -14.444 1.489 -5.239 1.00 0.83 N ATOM 418 CA SER A 28 -15.618 2.400 -5.077 1.00 0.87 C ATOM 419 C SER A 28 -16.151 2.323 -3.643 1.00 0.78 C ATOM 420 O SER A 28 -16.643 3.296 -3.107 1.00 0.74 O ATOM 421 CB SER A 28 -16.717 1.981 -6.053 1.00 1.17 C ATOM 422 OG SER A 28 -17.337 3.204 -6.425 1.00 1.89 O ATOM 0 H SER A 28 -14.477 0.870 -6.049 1.00 0.83 H new ATOM 0 HA SER A 28 -15.309 3.424 -5.285 1.00 0.87 H new ATOM 0 HB2 SER A 28 -16.304 1.464 -6.919 1.00 1.17 H new ATOM 0 HB3 SER A 28 -17.428 1.300 -5.584 1.00 1.17 H new ATOM 0 HG SER A 28 -18.062 3.024 -7.059 1.00 1.89 H new ATOM 428 N ALA A 29 -16.043 1.163 -3.054 1.00 0.80 N ATOM 429 CA ALA A 29 -16.539 1.001 -1.656 1.00 0.83 C ATOM 430 C ALA A 29 -15.561 1.646 -0.667 1.00 0.64 C ATOM 431 O ALA A 29 -15.958 2.140 0.370 1.00 0.73 O ATOM 432 CB ALA A 29 -16.670 -0.488 -1.345 1.00 1.01 C ATOM 0 H ALA A 29 -15.637 0.327 -3.475 1.00 0.80 H new ATOM 0 HA ALA A 29 -17.508 1.490 -1.559 1.00 0.83 H new ATOM 0 HB1 ALA A 29 -17.032 -0.616 -0.325 1.00 1.01 H new ATOM 0 HB2 ALA A 29 -17.375 -0.944 -2.040 1.00 1.01 H new ATOM 0 HB3 ALA A 29 -15.697 -0.968 -1.448 1.00 1.01 H new ATOM 438 N ILE A 30 -14.301 1.626 -1.007 1.00 0.46 N ATOM 439 CA ILE A 30 -13.286 2.236 -0.097 1.00 0.44 C ATOM 440 C ILE A 30 -13.234 3.752 -0.309 1.00 0.40 C ATOM 441 O ILE A 30 -12.870 4.220 -1.369 1.00 0.34 O ATOM 442 CB ILE A 30 -11.906 1.633 -0.401 1.00 0.43 C ATOM 443 CG1 ILE A 30 -11.928 0.101 -0.158 1.00 0.69 C ATOM 444 CG2 ILE A 30 -10.843 2.302 0.480 1.00 0.92 C ATOM 445 CD1 ILE A 30 -11.939 -0.237 1.350 1.00 1.48 C ATOM 0 H ILE A 30 -13.932 1.219 -1.866 1.00 0.46 H new ATOM 0 HA ILE A 30 -13.562 2.029 0.937 1.00 0.44 H new ATOM 0 HB ILE A 30 -11.659 1.812 -1.447 1.00 0.43 H new ATOM 0 HG12 ILE A 30 -12.808 -0.331 -0.634 1.00 0.69 H new ATOM 0 HG13 ILE A 30 -11.056 -0.355 -0.627 1.00 0.69 H new ATOM 0 HG21 ILE A 30 -9.866 1.872 0.261 1.00 0.92 H new ATOM 0 HG22 ILE A 30 -10.822 3.372 0.275 1.00 0.92 H new ATOM 0 HG23 ILE A 30 -11.085 2.138 1.530 1.00 0.92 H new ATOM 0 HD11 ILE A 30 -11.954 -1.319 1.480 1.00 1.48 H new ATOM 0 HD12 ILE A 30 -11.045 0.173 1.821 1.00 1.48 H new ATOM 0 HD13 ILE A 30 -12.825 0.197 1.814 1.00 1.48 H new ATOM 457 N LYS A 31 -13.599 4.486 0.706 1.00 0.69 N ATOM 458 CA LYS A 31 -13.575 5.971 0.581 1.00 0.83 C ATOM 459 C LYS A 31 -12.156 6.498 0.817 1.00 0.89 C ATOM 460 O LYS A 31 -11.704 6.586 1.939 1.00 1.41 O ATOM 461 CB LYS A 31 -14.523 6.576 1.616 1.00 1.09 C ATOM 462 CG LYS A 31 -15.961 6.209 1.250 1.00 1.66 C ATOM 463 CD LYS A 31 -16.912 6.812 2.287 1.00 1.81 C ATOM 464 CE LYS A 31 -17.595 5.683 3.061 1.00 1.74 C ATOM 465 NZ LYS A 31 -16.586 4.880 3.808 1.00 1.75 N ATOM 0 H LYS A 31 -13.910 4.126 1.608 1.00 0.69 H new ATOM 0 HA LYS A 31 -13.893 6.252 -0.423 1.00 0.83 H new ATOM 0 HB2 LYS A 31 -14.281 6.203 2.611 1.00 1.09 H new ATOM 0 HB3 LYS A 31 -14.407 7.659 1.645 1.00 1.09 H new ATOM 0 HG2 LYS A 31 -16.203 6.584 0.255 1.00 1.66 H new ATOM 0 HG3 LYS A 31 -16.076 5.126 1.219 1.00 1.66 H new ATOM 0 HD2 LYS A 31 -16.361 7.457 2.972 1.00 1.81 H new ATOM 0 HD3 LYS A 31 -17.659 7.435 1.794 1.00 1.81 H new ATOM 0 HE2 LYS A 31 -18.324 6.099 3.756 1.00 1.74 H new ATOM 0 HE3 LYS A 31 -18.142 5.040 2.372 1.00 1.74 H new ATOM 0 HZ1 LYS A 31 -17.051 4.381 4.593 1.00 1.75 H new ATOM 0 HZ2 LYS A 31 -16.151 4.186 3.167 1.00 1.75 H new ATOM 0 HZ3 LYS A 31 -15.851 5.511 4.186 1.00 1.75 H new ATOM 479 N GLY A 32 -11.485 6.833 -0.249 1.00 0.69 N ATOM 480 CA GLY A 32 -10.098 7.356 -0.104 1.00 0.67 C ATOM 481 C GLY A 32 -10.066 8.504 0.905 1.00 0.51 C ATOM 482 O GLY A 32 -10.957 9.330 0.937 1.00 0.93 O ATOM 0 H GLY A 32 -11.832 6.768 -1.206 1.00 0.69 H new ATOM 0 HA2 GLY A 32 -9.433 6.557 0.223 1.00 0.67 H new ATOM 0 HA3 GLY A 32 -9.730 7.702 -1.070 1.00 0.67 H new ATOM 486 N THR A 33 -9.038 8.530 1.710 1.00 0.55 N ATOM 487 CA THR A 33 -8.926 9.620 2.727 1.00 0.34 C ATOM 488 C THR A 33 -7.472 10.088 2.837 1.00 0.31 C ATOM 489 O THR A 33 -7.045 10.555 3.874 1.00 0.64 O ATOM 490 CB THR A 33 -9.395 9.088 4.085 1.00 0.24 C ATOM 491 OG1 THR A 33 -8.716 7.846 4.242 1.00 0.43 O ATOM 492 CG2 THR A 33 -10.881 8.735 4.073 1.00 0.33 C ATOM 0 H THR A 33 -8.277 7.851 1.710 1.00 0.55 H new ATOM 0 HA THR A 33 -9.547 10.462 2.423 1.00 0.34 H new ATOM 0 HB THR A 33 -9.208 9.833 4.858 1.00 0.24 H new ATOM 0 HG1 THR A 33 -9.229 7.135 3.804 1.00 0.43 H new ATOM 0 HG21 THR A 33 -11.174 8.362 5.054 1.00 0.33 H new ATOM 0 HG22 THR A 33 -11.464 9.624 3.834 1.00 0.33 H new ATOM 0 HG23 THR A 33 -11.066 7.967 3.322 1.00 0.33 H new ATOM 500 N GLY A 34 -6.747 9.948 1.764 1.00 0.76 N ATOM 501 CA GLY A 34 -5.322 10.385 1.778 1.00 0.71 C ATOM 502 C GLY A 34 -5.223 11.872 2.119 1.00 0.49 C ATOM 503 O GLY A 34 -6.077 12.418 2.789 1.00 0.43 O ATOM 0 H GLY A 34 -7.075 9.553 0.883 1.00 0.76 H new ATOM 0 HA2 GLY A 34 -4.763 9.800 2.508 1.00 0.71 H new ATOM 0 HA3 GLY A 34 -4.868 10.198 0.805 1.00 0.71 H new ATOM 507 N VAL A 35 -4.178 12.492 1.650 1.00 0.80 N ATOM 508 CA VAL A 35 -3.993 13.949 1.930 1.00 0.64 C ATOM 509 C VAL A 35 -5.320 14.699 1.766 1.00 0.80 C ATOM 510 O VAL A 35 -5.489 15.783 2.288 1.00 2.06 O ATOM 511 CB VAL A 35 -2.965 14.516 0.953 1.00 1.47 C ATOM 512 CG1 VAL A 35 -2.787 16.010 1.226 1.00 1.31 C ATOM 513 CG2 VAL A 35 -1.627 13.802 1.157 1.00 2.34 C ATOM 0 H VAL A 35 -3.445 12.059 1.087 1.00 0.80 H new ATOM 0 HA VAL A 35 -3.646 14.074 2.956 1.00 0.64 H new ATOM 0 HB VAL A 35 -3.307 14.366 -0.071 1.00 1.47 H new ATOM 0 HG11 VAL A 35 -2.054 16.422 0.532 1.00 1.31 H new ATOM 0 HG12 VAL A 35 -3.741 16.521 1.092 1.00 1.31 H new ATOM 0 HG13 VAL A 35 -2.439 16.154 2.249 1.00 1.31 H new ATOM 0 HG21 VAL A 35 -0.890 14.204 0.461 1.00 2.34 H new ATOM 0 HG22 VAL A 35 -1.283 13.958 2.180 1.00 2.34 H new ATOM 0 HG23 VAL A 35 -1.753 12.735 0.976 1.00 2.34 H new ATOM 523 N GLY A 36 -6.232 14.107 1.044 1.00 0.56 N ATOM 524 CA GLY A 36 -7.548 14.776 0.842 1.00 1.50 C ATOM 525 C GLY A 36 -8.176 14.342 -0.485 1.00 0.96 C ATOM 526 O GLY A 36 -8.835 15.123 -1.143 1.00 1.44 O ATOM 0 H GLY A 36 -6.125 13.200 0.590 1.00 0.56 H new ATOM 0 HA2 GLY A 36 -8.218 14.529 1.665 1.00 1.50 H new ATOM 0 HA3 GLY A 36 -7.417 15.858 0.852 1.00 1.50 H new ATOM 530 N GLY A 37 -7.960 13.104 -0.848 1.00 0.65 N ATOM 531 CA GLY A 37 -8.542 12.602 -2.128 1.00 1.34 C ATOM 532 C GLY A 37 -7.549 11.688 -2.850 1.00 1.35 C ATOM 533 O GLY A 37 -7.406 11.753 -4.055 1.00 2.15 O ATOM 0 H GLY A 37 -7.412 12.425 -0.320 1.00 0.65 H new ATOM 0 HA2 GLY A 37 -9.464 12.058 -1.925 1.00 1.34 H new ATOM 0 HA3 GLY A 37 -8.803 13.444 -2.770 1.00 1.34 H new ATOM 537 N ARG A 38 -6.885 10.855 -2.098 1.00 0.74 N ATOM 538 CA ARG A 38 -5.898 9.923 -2.723 1.00 0.63 C ATOM 539 C ARG A 38 -5.927 8.568 -2.006 1.00 0.55 C ATOM 540 O ARG A 38 -5.619 8.476 -0.835 1.00 0.71 O ATOM 541 CB ARG A 38 -4.499 10.527 -2.617 1.00 0.62 C ATOM 542 CG ARG A 38 -4.303 11.536 -3.751 1.00 1.39 C ATOM 543 CD ARG A 38 -2.972 12.266 -3.550 1.00 1.30 C ATOM 544 NE ARG A 38 -1.923 11.272 -3.192 1.00 0.64 N ATOM 545 CZ ARG A 38 -1.025 10.940 -4.078 1.00 1.37 C ATOM 546 NH1 ARG A 38 -1.395 10.766 -5.318 1.00 2.04 N ATOM 547 NH2 ARG A 38 0.214 10.792 -3.695 1.00 2.26 N ATOM 0 H ARG A 38 -6.980 10.777 -1.085 1.00 0.74 H new ATOM 0 HA ARG A 38 -6.158 9.775 -3.771 1.00 0.63 H new ATOM 0 HB2 ARG A 38 -4.373 11.017 -1.652 1.00 0.62 H new ATOM 0 HB3 ARG A 38 -3.745 9.742 -2.677 1.00 0.62 H new ATOM 0 HG2 ARG A 38 -4.310 11.025 -4.714 1.00 1.39 H new ATOM 0 HG3 ARG A 38 -5.126 12.251 -3.764 1.00 1.39 H new ATOM 0 HD2 ARG A 38 -2.693 12.797 -4.460 1.00 1.30 H new ATOM 0 HD3 ARG A 38 -3.068 13.013 -2.762 1.00 1.30 H new ATOM 0 HE ARG A 38 -1.907 10.854 -2.262 1.00 0.64 H new ATOM 0 HH11 ARG A 38 -2.373 10.890 -5.581 1.00 2.04 H new ATOM 0 HH12 ARG A 38 -0.706 10.506 -6.024 1.00 2.04 H new ATOM 0 HH21 ARG A 38 0.466 10.936 -2.717 1.00 2.26 H new ATOM 0 HH22 ARG A 38 0.930 10.533 -4.374 1.00 2.26 H new ATOM 561 N LEU A 39 -6.297 7.545 -2.728 1.00 0.49 N ATOM 562 CA LEU A 39 -6.354 6.188 -2.106 1.00 0.37 C ATOM 563 C LEU A 39 -4.998 5.843 -1.475 1.00 0.32 C ATOM 564 O LEU A 39 -3.970 6.323 -1.911 1.00 0.78 O ATOM 565 CB LEU A 39 -6.701 5.161 -3.193 1.00 0.39 C ATOM 566 CG LEU A 39 -6.817 3.756 -2.576 1.00 0.38 C ATOM 567 CD1 LEU A 39 -7.946 3.739 -1.541 1.00 0.27 C ATOM 568 CD2 LEU A 39 -7.142 2.752 -3.683 1.00 0.50 C ATOM 0 H LEU A 39 -6.560 7.587 -3.713 1.00 0.49 H new ATOM 0 HA LEU A 39 -7.115 6.172 -1.326 1.00 0.37 H new ATOM 0 HB2 LEU A 39 -7.640 5.433 -3.675 1.00 0.39 H new ATOM 0 HB3 LEU A 39 -5.933 5.165 -3.966 1.00 0.39 H new ATOM 0 HG LEU A 39 -5.876 3.492 -2.093 1.00 0.38 H new ATOM 0 HD11 LEU A 39 -8.026 2.743 -1.106 1.00 0.27 H new ATOM 0 HD12 LEU A 39 -7.730 4.462 -0.755 1.00 0.27 H new ATOM 0 HD13 LEU A 39 -8.887 4.000 -2.025 1.00 0.27 H new ATOM 0 HD21 LEU A 39 -7.226 1.753 -3.255 1.00 0.50 H new ATOM 0 HD22 LEU A 39 -8.085 3.025 -4.156 1.00 0.50 H new ATOM 0 HD23 LEU A 39 -6.346 2.762 -4.428 1.00 0.50 H new ATOM 580 N THR A 40 -5.030 5.018 -0.461 1.00 0.44 N ATOM 581 CA THR A 40 -3.754 4.629 0.215 1.00 0.28 C ATOM 582 C THR A 40 -3.770 3.133 0.554 1.00 0.17 C ATOM 583 O THR A 40 -4.590 2.389 0.055 1.00 0.29 O ATOM 584 CB THR A 40 -3.600 5.442 1.502 1.00 0.37 C ATOM 585 OG1 THR A 40 -4.466 4.809 2.439 1.00 0.30 O ATOM 586 CG2 THR A 40 -4.148 6.858 1.339 1.00 0.70 C ATOM 0 H THR A 40 -5.876 4.599 -0.074 1.00 0.44 H new ATOM 0 HA THR A 40 -2.917 4.830 -0.454 1.00 0.28 H new ATOM 0 HB THR A 40 -2.549 5.490 1.787 1.00 0.37 H new ATOM 0 HG1 THR A 40 -5.349 5.232 2.406 1.00 0.30 H new ATOM 0 HG21 THR A 40 -4.022 7.407 2.272 1.00 0.70 H new ATOM 0 HG22 THR A 40 -3.607 7.368 0.542 1.00 0.70 H new ATOM 0 HG23 THR A 40 -5.207 6.811 1.086 1.00 0.70 H new ATOM 594 N ARG A 41 -2.861 2.728 1.400 1.00 0.09 N ATOM 595 CA ARG A 41 -2.805 1.286 1.782 1.00 0.15 C ATOM 596 C ARG A 41 -3.571 1.052 3.089 1.00 0.18 C ATOM 597 O ARG A 41 -4.164 0.010 3.286 1.00 0.25 O ATOM 598 CB ARG A 41 -1.344 0.877 1.968 1.00 0.31 C ATOM 599 CG ARG A 41 -1.281 -0.613 2.334 1.00 0.64 C ATOM 600 CD ARG A 41 -0.777 -0.767 3.777 1.00 1.90 C ATOM 601 NE ARG A 41 -0.571 -2.217 4.077 1.00 2.00 N ATOM 602 CZ ARG A 41 -1.326 -3.110 3.497 1.00 2.36 C ATOM 603 NH1 ARG A 41 -1.012 -3.518 2.297 1.00 2.26 N ATOM 604 NH2 ARG A 41 -2.370 -3.565 4.135 1.00 3.91 N ATOM 0 H ARG A 41 -2.161 3.326 1.840 1.00 0.09 H new ATOM 0 HA ARG A 41 -3.264 0.688 0.995 1.00 0.15 H new ATOM 0 HB2 ARG A 41 -0.782 1.063 1.053 1.00 0.31 H new ATOM 0 HB3 ARG A 41 -0.883 1.477 2.753 1.00 0.31 H new ATOM 0 HG2 ARG A 41 -2.268 -1.065 2.232 1.00 0.64 H new ATOM 0 HG3 ARG A 41 -0.617 -1.139 1.648 1.00 0.64 H new ATOM 0 HD2 ARG A 41 0.157 -0.221 3.908 1.00 1.90 H new ATOM 0 HD3 ARG A 41 -1.498 -0.339 4.474 1.00 1.90 H new ATOM 0 HE ARG A 41 0.156 -2.507 4.731 1.00 2.00 H new ATOM 0 HH11 ARG A 41 -0.189 -3.139 1.829 1.00 2.26 H new ATOM 0 HH12 ARG A 41 -1.590 -4.215 1.828 1.00 2.26 H new ATOM 0 HH21 ARG A 41 -2.585 -3.222 5.071 1.00 3.91 H new ATOM 0 HH22 ARG A 41 -2.971 -4.263 3.697 1.00 3.91 H new ATOM 618 N GLU A 42 -3.540 2.027 3.954 1.00 0.19 N ATOM 619 CA GLU A 42 -4.259 1.876 5.254 1.00 0.25 C ATOM 620 C GLU A 42 -5.774 1.925 5.032 1.00 0.23 C ATOM 621 O GLU A 42 -6.544 1.735 5.954 1.00 0.24 O ATOM 622 CB GLU A 42 -3.843 3.012 6.188 1.00 0.29 C ATOM 623 CG GLU A 42 -2.321 3.002 6.343 1.00 0.69 C ATOM 624 CD GLU A 42 -1.892 1.713 7.047 1.00 1.44 C ATOM 625 OE1 GLU A 42 -2.711 1.207 7.797 1.00 1.95 O ATOM 626 OE2 GLU A 42 -0.770 1.307 6.795 1.00 2.48 O ATOM 0 H GLU A 42 -3.054 2.914 3.822 1.00 0.19 H new ATOM 0 HA GLU A 42 -4.001 0.914 5.698 1.00 0.25 H new ATOM 0 HB2 GLU A 42 -4.174 3.970 5.786 1.00 0.29 H new ATOM 0 HB3 GLU A 42 -4.321 2.893 7.161 1.00 0.29 H new ATOM 0 HG2 GLU A 42 -1.844 3.072 5.365 1.00 0.69 H new ATOM 0 HG3 GLU A 42 -1.997 3.869 6.918 1.00 0.69 H new ATOM 633 N ASP A 43 -6.169 2.177 3.814 1.00 0.31 N ATOM 634 CA ASP A 43 -7.632 2.242 3.515 1.00 0.36 C ATOM 635 C ASP A 43 -8.122 0.900 2.960 1.00 0.33 C ATOM 636 O ASP A 43 -9.282 0.561 3.082 1.00 0.63 O ATOM 637 CB ASP A 43 -7.881 3.343 2.486 1.00 0.37 C ATOM 638 CG ASP A 43 -7.815 4.707 3.177 1.00 0.43 C ATOM 639 OD1 ASP A 43 -8.846 5.099 3.698 1.00 0.98 O ATOM 640 OD2 ASP A 43 -6.738 5.278 3.145 1.00 0.95 O ATOM 0 H ASP A 43 -5.551 2.339 3.019 1.00 0.31 H new ATOM 0 HA ASP A 43 -8.177 2.460 4.433 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -7.137 3.289 1.691 1.00 0.37 H new ATOM 0 HB3 ASP A 43 -8.856 3.206 2.019 1.00 0.37 H new ATOM 645 N VAL A 44 -7.226 0.166 2.359 1.00 0.25 N ATOM 646 CA VAL A 44 -7.623 -1.156 1.788 1.00 0.27 C ATOM 647 C VAL A 44 -7.318 -2.279 2.788 1.00 0.34 C ATOM 648 O VAL A 44 -7.871 -3.357 2.701 1.00 0.30 O ATOM 649 CB VAL A 44 -6.838 -1.398 0.498 1.00 0.32 C ATOM 650 CG1 VAL A 44 -7.532 -2.491 -0.317 1.00 0.18 C ATOM 651 CG2 VAL A 44 -6.803 -0.107 -0.319 1.00 0.55 C ATOM 0 H VAL A 44 -6.245 0.419 2.238 1.00 0.25 H new ATOM 0 HA VAL A 44 -8.693 -1.150 1.580 1.00 0.27 H new ATOM 0 HB VAL A 44 -5.821 -1.709 0.739 1.00 0.32 H new ATOM 0 HG11 VAL A 44 -6.976 -2.667 -1.238 1.00 0.18 H new ATOM 0 HG12 VAL A 44 -7.569 -3.411 0.266 1.00 0.18 H new ATOM 0 HG13 VAL A 44 -8.546 -2.175 -0.561 1.00 0.18 H new ATOM 0 HG21 VAL A 44 -6.244 -0.274 -1.240 1.00 0.55 H new ATOM 0 HG22 VAL A 44 -7.821 0.197 -0.562 1.00 0.55 H new ATOM 0 HG23 VAL A 44 -6.319 0.678 0.262 1.00 0.55 H new ATOM 661 N GLU A 45 -6.445 -1.998 3.717 1.00 0.48 N ATOM 662 CA GLU A 45 -6.090 -3.037 4.730 1.00 0.58 C ATOM 663 C GLU A 45 -7.347 -3.524 5.460 1.00 0.42 C ATOM 664 O GLU A 45 -7.628 -4.705 5.498 1.00 0.30 O ATOM 665 CB GLU A 45 -5.115 -2.435 5.739 1.00 0.84 C ATOM 666 CG GLU A 45 -4.778 -3.486 6.799 1.00 1.36 C ATOM 667 CD GLU A 45 -3.263 -3.530 7.004 1.00 0.81 C ATOM 668 OE1 GLU A 45 -2.733 -2.487 7.354 1.00 1.36 O ATOM 669 OE2 GLU A 45 -2.720 -4.603 6.798 1.00 1.20 O ATOM 0 H GLU A 45 -5.965 -1.104 3.820 1.00 0.48 H new ATOM 0 HA GLU A 45 -5.629 -3.886 4.225 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -4.207 -2.106 5.234 1.00 0.84 H new ATOM 0 HB3 GLU A 45 -5.555 -1.555 6.208 1.00 0.84 H new ATOM 0 HG2 GLU A 45 -5.277 -3.245 7.738 1.00 1.36 H new ATOM 0 HG3 GLU A 45 -5.143 -4.464 6.486 1.00 1.36 H new ATOM 676 N LYS A 46 -8.075 -2.600 6.026 1.00 0.49 N ATOM 677 CA LYS A 46 -9.316 -2.992 6.757 1.00 0.48 C ATOM 678 C LYS A 46 -10.443 -3.280 5.763 1.00 0.50 C ATOM 679 O LYS A 46 -11.556 -2.823 5.930 1.00 1.14 O ATOM 680 CB LYS A 46 -9.732 -1.849 7.683 1.00 0.66 C ATOM 681 CG LYS A 46 -8.626 -1.606 8.713 1.00 0.80 C ATOM 682 CD LYS A 46 -9.224 -1.684 10.119 1.00 1.66 C ATOM 683 CE LYS A 46 -8.162 -1.271 11.141 1.00 2.27 C ATOM 684 NZ LYS A 46 -7.734 0.138 10.910 1.00 2.09 N ATOM 0 H LYS A 46 -7.868 -1.601 6.015 1.00 0.49 H new ATOM 0 HA LYS A 46 -9.122 -3.892 7.341 1.00 0.48 H new ATOM 0 HB2 LYS A 46 -9.911 -0.943 7.104 1.00 0.66 H new ATOM 0 HB3 LYS A 46 -10.667 -2.095 8.187 1.00 0.66 H new ATOM 0 HG2 LYS A 46 -7.836 -2.349 8.599 1.00 0.80 H new ATOM 0 HG3 LYS A 46 -8.171 -0.629 8.552 1.00 0.80 H new ATOM 0 HD2 LYS A 46 -10.093 -1.030 10.195 1.00 1.66 H new ATOM 0 HD3 LYS A 46 -9.569 -2.697 10.325 1.00 1.66 H new ATOM 0 HE2 LYS A 46 -8.560 -1.375 12.150 1.00 2.27 H new ATOM 0 HE3 LYS A 46 -7.301 -1.935 11.068 1.00 2.27 H new ATOM 0 HZ1 LYS A 46 -7.338 0.529 11.789 1.00 2.09 H new ATOM 0 HZ2 LYS A 46 -7.011 0.163 10.163 1.00 2.09 H new ATOM 0 HZ3 LYS A 46 -8.554 0.706 10.617 1.00 2.09 H new ATOM 698 N HIS A 47 -10.128 -4.033 4.745 1.00 0.32 N ATOM 699 CA HIS A 47 -11.168 -4.361 3.726 1.00 0.24 C ATOM 700 C HIS A 47 -10.822 -5.673 3.015 1.00 0.57 C ATOM 701 O HIS A 47 -11.697 -6.436 2.656 1.00 0.80 O ATOM 702 CB HIS A 47 -11.234 -3.230 2.706 1.00 0.44 C ATOM 703 CG HIS A 47 -11.926 -3.730 1.436 1.00 0.75 C ATOM 704 ND1 HIS A 47 -13.105 -3.460 1.108 1.00 1.28 N ATOM 705 CD2 HIS A 47 -11.442 -4.540 0.426 1.00 1.42 C ATOM 706 CE1 HIS A 47 -13.414 -4.009 0.003 1.00 1.93 C ATOM 707 NE2 HIS A 47 -12.411 -4.720 -0.506 1.00 2.05 N ATOM 0 H HIS A 47 -9.205 -4.433 4.574 1.00 0.32 H new ATOM 0 HA HIS A 47 -12.133 -4.476 4.220 1.00 0.24 H new ATOM 0 HB2 HIS A 47 -11.780 -2.383 3.121 1.00 0.44 H new ATOM 0 HB3 HIS A 47 -10.229 -2.878 2.471 1.00 0.44 H new ATOM 0 HD1 HIS A 47 -13.736 -2.875 1.657 1.00 1.28 H new ATOM 0 HD2 HIS A 47 -10.449 -4.963 0.385 1.00 1.42 H new ATOM 0 HE1 HIS A 47 -14.381 -3.909 -0.468 1.00 1.93 H new ATOM 715 N LEU A 48 -9.552 -5.905 2.827 1.00 0.67 N ATOM 716 CA LEU A 48 -9.131 -7.162 2.141 1.00 1.06 C ATOM 717 C LEU A 48 -9.773 -8.375 2.818 1.00 1.51 C ATOM 718 O LEU A 48 -10.266 -9.269 2.158 1.00 2.71 O ATOM 719 CB LEU A 48 -7.609 -7.281 2.214 1.00 0.70 C ATOM 720 CG LEU A 48 -6.989 -6.529 1.034 1.00 0.91 C ATOM 721 CD1 LEU A 48 -5.604 -6.018 1.435 1.00 0.88 C ATOM 722 CD2 LEU A 48 -6.846 -7.484 -0.152 1.00 1.34 C ATOM 0 H LEU A 48 -8.794 -5.287 3.115 1.00 0.67 H new ATOM 0 HA LEU A 48 -9.453 -7.131 1.100 1.00 1.06 H new ATOM 0 HB2 LEU A 48 -7.245 -6.869 3.155 1.00 0.70 H new ATOM 0 HB3 LEU A 48 -7.312 -8.330 2.189 1.00 0.70 H new ATOM 0 HG LEU A 48 -7.627 -5.689 0.757 1.00 0.91 H new ATOM 0 HD11 LEU A 48 -5.158 -5.481 0.598 1.00 0.88 H new ATOM 0 HD12 LEU A 48 -5.697 -5.346 2.288 1.00 0.88 H new ATOM 0 HD13 LEU A 48 -4.969 -6.862 1.705 1.00 0.88 H new ATOM 0 HD21 LEU A 48 -6.405 -6.953 -0.995 1.00 1.34 H new ATOM 0 HD22 LEU A 48 -6.203 -8.318 0.128 1.00 1.34 H new ATOM 0 HD23 LEU A 48 -7.828 -7.862 -0.435 1.00 1.34 H new ATOM 734 N ALA A 49 -9.753 -8.382 4.122 1.00 0.71 N ATOM 735 CA ALA A 49 -10.357 -9.530 4.859 1.00 1.16 C ATOM 736 C ALA A 49 -11.754 -9.837 4.308 1.00 2.72 C ATOM 737 O ALA A 49 -11.919 -10.714 3.483 1.00 3.36 O ATOM 738 CB ALA A 49 -10.461 -9.172 6.341 1.00 0.73 C ATOM 0 H ALA A 49 -9.349 -7.650 4.706 1.00 0.71 H new ATOM 0 HA ALA A 49 -9.727 -10.411 4.732 1.00 1.16 H new ATOM 0 HB1 ALA A 49 -10.902 -10.006 6.887 1.00 0.73 H new ATOM 0 HB2 ALA A 49 -9.466 -8.965 6.736 1.00 0.73 H new ATOM 0 HB3 ALA A 49 -11.089 -8.289 6.459 1.00 0.73 H new ATOM 744 N LYS A 50 -12.730 -9.107 4.776 1.00 3.76 N ATOM 745 CA LYS A 50 -14.121 -9.345 4.290 1.00 5.35 C ATOM 746 C LYS A 50 -14.937 -8.050 4.357 1.00 6.54 C ATOM 747 O LYS A 50 -14.858 -7.313 5.320 1.00 6.49 O ATOM 748 CB LYS A 50 -14.780 -10.409 5.167 1.00 5.56 C ATOM 749 CG LYS A 50 -15.637 -11.324 4.290 1.00 6.76 C ATOM 750 CD LYS A 50 -16.483 -12.231 5.187 1.00 7.43 C ATOM 751 CE LYS A 50 -17.883 -11.631 5.328 1.00 8.78 C ATOM 752 NZ LYS A 50 -17.801 -10.206 5.757 1.00 8.67 N ATOM 0 H LYS A 50 -12.628 -8.363 5.467 1.00 3.76 H new ATOM 0 HA LYS A 50 -14.086 -9.684 3.255 1.00 5.35 H new ATOM 0 HB2 LYS A 50 -14.019 -10.992 5.686 1.00 5.56 H new ATOM 0 HB3 LYS A 50 -15.397 -9.936 5.932 1.00 5.56 H new ATOM 0 HG2 LYS A 50 -16.281 -10.729 3.643 1.00 6.76 H new ATOM 0 HG3 LYS A 50 -15.001 -11.925 3.640 1.00 6.76 H new ATOM 0 HD2 LYS A 50 -16.544 -13.232 4.759 1.00 7.43 H new ATOM 0 HD3 LYS A 50 -16.017 -12.331 6.167 1.00 7.43 H new ATOM 0 HE2 LYS A 50 -18.412 -11.701 4.378 1.00 8.78 H new ATOM 0 HE3 LYS A 50 -18.458 -12.203 6.056 1.00 8.78 H new ATOM 0 HZ1 LYS A 50 -18.750 -9.865 6.011 1.00 8.67 H new ATOM 0 HZ2 LYS A 50 -17.173 -10.127 6.582 1.00 8.67 H new ATOM 0 HZ3 LYS A 50 -17.423 -9.630 4.978 1.00 8.67 H new ATOM 766 N ALA A 51 -15.704 -7.801 3.331 1.00 7.87 N ATOM 767 CA ALA A 51 -16.532 -6.559 3.319 1.00 9.20 C ATOM 768 C ALA A 51 -17.796 -6.758 4.160 1.00 9.91 C ATOM 769 O ALA A 51 -18.781 -6.126 3.815 1.00 11.10 O ATOM 770 CB ALA A 51 -16.924 -6.235 1.879 1.00 10.36 C ATOM 771 OXT ALA A 51 -17.706 -7.530 5.100 1.00 9.36 O ATOM 0 H ALA A 51 -15.794 -8.396 2.508 1.00 7.87 H new ATOM 0 HA ALA A 51 -15.954 -5.737 3.742 1.00 9.20 H new ATOM 0 HB1 ALA A 51 -17.529 -5.329 1.862 1.00 10.36 H new ATOM 0 HB2 ALA A 51 -16.024 -6.082 1.283 1.00 10.36 H new ATOM 0 HB3 ALA A 51 -17.498 -7.063 1.463 1.00 10.36 H new TER 777 ALA A 51