USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 396 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 Set 1.1: A 44 SER OG : rot -99:sc= -0.226 USER MOD Set 1.2: A 47 THR OG1 : rot -80:sc= 1.01 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0.00738 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.64 K(o=-0.24,f=-7!) USER MOD Set 2.3: A 36 ASN : amide:sc= 0.392 K(o=-0.24,f=-1) USER MOD Set 3.1: A 26 SER OG : rot -45:sc= 0.0632 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= -0.345 USER MOD Set 4.1: A 11 TYR OH : rot 109:sc= -2.75! USER MOD Set 4.2: A 34 LYS NZ :NH3+ -113:sc= -2.31! (180deg=-4.95!) USER MOD Single : A 1 LEU N :NH3+ 146:sc= -0.638! (180deg=-2.71!) USER MOD Single : A 5 SER OG : rot 41:sc= 0.0541 USER MOD Single : A 9 SER OG : rot -48:sc= 0.347 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0233) USER MOD Single : A 20 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.52! C(o=-2.5!,f=-5.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= -1.12 F(o=-3.2!,f=-1.1) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -10.9! C(o=-11!,f=-19!) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0284) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.238 7.914 2.243 1.00 0.00 N ATOM 2 CA LEU A 1 14.245 8.865 1.667 1.00 0.00 C ATOM 3 C LEU A 1 13.094 9.059 2.657 1.00 0.00 C ATOM 4 O LEU A 1 12.369 8.135 2.972 1.00 0.00 O ATOM 5 CB LEU A 1 13.701 8.302 0.349 1.00 0.00 C ATOM 6 CG LEU A 1 13.344 6.824 0.527 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.836 6.686 0.736 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.755 6.047 -0.727 1.00 0.00 C ATOM 0 H1 LEU A 1 15.658 7.346 1.480 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.986 8.447 2.731 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.763 7.284 2.921 1.00 0.00 H new ATOM 0 HA LEU A 1 14.726 9.824 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.820 8.864 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.445 8.414 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 1 13.870 6.425 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.581 5.634 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.540 7.241 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.310 7.085 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 1 13.502 4.994 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.227 6.447 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.830 6.146 -0.880 1.00 0.00 H new ATOM 22 N ALA A 2 12.921 10.255 3.154 1.00 0.00 N ATOM 23 CA ALA A 2 11.820 10.511 4.127 1.00 0.00 C ATOM 24 C ALA A 2 10.480 10.573 3.390 1.00 0.00 C ATOM 25 O ALA A 2 9.434 10.681 3.997 1.00 0.00 O ATOM 26 CB ALA A 2 12.069 11.845 4.835 1.00 0.00 C ATOM 0 H ALA A 2 13.496 11.067 2.928 1.00 0.00 H new ATOM 0 HA ALA A 2 11.792 9.704 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.266 12.035 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.021 11.804 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.098 12.648 4.098 1.00 0.00 H new ATOM 32 N ALA A 3 10.504 10.510 2.087 1.00 0.00 N ATOM 33 CA ALA A 3 9.231 10.571 1.317 1.00 0.00 C ATOM 34 C ALA A 3 8.217 9.593 1.917 1.00 0.00 C ATOM 35 O ALA A 3 8.439 8.399 1.952 1.00 0.00 O ATOM 36 CB ALA A 3 9.500 10.196 -0.142 1.00 0.00 C ATOM 0 H ALA A 3 11.349 10.419 1.523 1.00 0.00 H new ATOM 0 HA ALA A 3 8.828 11.583 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.569 10.240 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.218 10.895 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.905 9.185 -0.189 1.00 0.00 H new ATOM 42 N VAL A 4 7.104 10.090 2.384 1.00 0.00 N ATOM 43 CA VAL A 4 6.075 9.188 2.974 1.00 0.00 C ATOM 44 C VAL A 4 5.089 8.766 1.884 1.00 0.00 C ATOM 45 O VAL A 4 4.049 9.369 1.708 1.00 0.00 O ATOM 46 CB VAL A 4 5.323 9.927 4.083 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.288 10.259 5.223 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.734 11.223 3.520 1.00 0.00 C ATOM 0 H VAL A 4 6.863 11.081 2.382 1.00 0.00 H new ATOM 0 HA VAL A 4 6.559 8.305 3.391 1.00 0.00 H new ATOM 0 HB VAL A 4 4.520 9.295 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.751 10.785 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.709 9.337 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.092 10.892 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.198 11.751 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.538 11.854 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.046 10.987 2.708 1.00 0.00 H new ATOM 58 N SER A 5 5.407 7.736 1.151 1.00 0.00 N ATOM 59 CA SER A 5 4.486 7.279 0.073 1.00 0.00 C ATOM 60 C SER A 5 5.101 6.080 -0.651 1.00 0.00 C ATOM 61 O SER A 5 6.236 6.119 -1.083 1.00 0.00 O ATOM 62 CB SER A 5 4.269 8.417 -0.924 1.00 0.00 C ATOM 63 OG SER A 5 5.511 9.058 -1.182 1.00 0.00 O ATOM 0 H SER A 5 6.264 7.191 1.251 1.00 0.00 H new ATOM 0 HA SER A 5 3.531 6.988 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.848 8.028 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.552 9.134 -0.524 1.00 0.00 H new ATOM 0 HG SER A 5 6.216 8.383 -1.265 1.00 0.00 H new ATOM 69 N VAL A 6 4.361 5.016 -0.786 1.00 0.00 N ATOM 70 CA VAL A 6 4.904 3.816 -1.482 1.00 0.00 C ATOM 71 C VAL A 6 4.527 3.875 -2.963 1.00 0.00 C ATOM 72 O VAL A 6 3.564 4.511 -3.344 1.00 0.00 O ATOM 73 CB VAL A 6 4.315 2.550 -0.858 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.214 1.356 -1.185 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.231 2.721 0.661 1.00 0.00 C ATOM 0 H VAL A 6 3.404 4.925 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 6 5.989 3.798 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 6 3.317 2.377 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.795 0.453 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.277 1.233 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.211 1.530 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.811 1.819 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.229 2.894 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.593 3.573 0.897 1.00 0.00 H new ATOM 85 N ASP A 7 5.277 3.215 -3.802 1.00 0.00 N ATOM 86 CA ASP A 7 4.959 3.232 -5.257 1.00 0.00 C ATOM 87 C ASP A 7 4.420 1.864 -5.677 1.00 0.00 C ATOM 88 O ASP A 7 4.917 0.836 -5.260 1.00 0.00 O ATOM 89 CB ASP A 7 6.228 3.551 -6.052 1.00 0.00 C ATOM 90 CG ASP A 7 5.950 3.380 -7.547 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.203 4.179 -8.085 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.490 2.452 -8.127 1.00 0.00 O ATOM 0 H ASP A 7 6.096 2.665 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 7 4.206 3.994 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.552 4.571 -5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.039 2.890 -5.744 1.00 0.00 H new ATOM 97 N CYS A 8 3.408 1.843 -6.499 1.00 0.00 N ATOM 98 CA CYS A 8 2.833 0.541 -6.945 1.00 0.00 C ATOM 99 C CYS A 8 2.557 0.598 -8.452 1.00 0.00 C ATOM 100 O CYS A 8 1.481 0.265 -8.906 1.00 0.00 O ATOM 101 CB CYS A 8 1.521 0.282 -6.197 1.00 0.00 C ATOM 102 SG CYS A 8 1.707 0.746 -4.455 1.00 0.00 S ATOM 0 H CYS A 8 2.953 2.672 -6.882 1.00 0.00 H new ATOM 0 HA CYS A 8 3.538 -0.262 -6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.713 0.855 -6.651 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.248 -0.770 -6.276 1.00 0.00 H new ATOM 107 N SER A 9 3.518 1.020 -9.232 1.00 0.00 N ATOM 108 CA SER A 9 3.301 1.099 -10.707 1.00 0.00 C ATOM 109 C SER A 9 3.499 -0.280 -11.339 1.00 0.00 C ATOM 110 O SER A 9 3.480 -0.433 -12.545 1.00 0.00 O ATOM 111 CB SER A 9 4.290 2.092 -11.319 1.00 0.00 C ATOM 112 OG SER A 9 3.901 2.377 -12.656 1.00 0.00 O ATOM 0 H SER A 9 4.441 1.313 -8.912 1.00 0.00 H new ATOM 0 HA SER A 9 2.283 1.436 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.313 3.010 -10.731 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.298 1.677 -11.302 1.00 0.00 H new ATOM 0 HG SER A 9 3.715 1.539 -13.128 1.00 0.00 H new ATOM 118 N GLU A 10 3.674 -1.284 -10.532 1.00 0.00 N ATOM 119 CA GLU A 10 3.857 -2.662 -11.072 1.00 0.00 C ATOM 120 C GLU A 10 2.736 -3.557 -10.536 1.00 0.00 C ATOM 121 O GLU A 10 2.751 -4.761 -10.698 1.00 0.00 O ATOM 122 CB GLU A 10 5.211 -3.213 -10.618 1.00 0.00 C ATOM 123 CG GLU A 10 6.332 -2.482 -11.358 1.00 0.00 C ATOM 124 CD GLU A 10 6.706 -1.210 -10.595 1.00 0.00 C ATOM 125 OE1 GLU A 10 7.308 -1.331 -9.540 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.384 -0.137 -11.078 1.00 0.00 O ATOM 0 H GLU A 10 3.699 -1.212 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 10 3.825 -2.640 -12.161 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.326 -3.084 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.266 -4.283 -10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.203 -3.131 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.011 -2.231 -12.369 1.00 0.00 H new ATOM 133 N TYR A 11 1.769 -2.965 -9.893 1.00 0.00 N ATOM 134 CA TYR A 11 0.641 -3.738 -9.330 1.00 0.00 C ATOM 135 C TYR A 11 -0.494 -3.780 -10.360 1.00 0.00 C ATOM 136 O TYR A 11 -0.448 -3.084 -11.353 1.00 0.00 O ATOM 137 CB TYR A 11 0.204 -3.028 -8.043 1.00 0.00 C ATOM 138 CG TYR A 11 1.070 -3.518 -6.909 1.00 0.00 C ATOM 139 CD1 TYR A 11 0.698 -4.645 -6.166 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.262 -2.845 -6.611 1.00 0.00 C ATOM 141 CE1 TYR A 11 1.522 -5.097 -5.126 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.079 -3.295 -5.571 1.00 0.00 C ATOM 143 CZ TYR A 11 2.709 -4.422 -4.830 1.00 0.00 C ATOM 144 OH TYR A 11 3.517 -4.870 -3.808 1.00 0.00 O ATOM 0 H TYR A 11 1.717 -1.959 -9.734 1.00 0.00 H new ATOM 0 HA TYR A 11 0.923 -4.766 -9.101 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.301 -1.948 -8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.846 -3.234 -7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.221 -5.164 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.550 -1.977 -7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.239 -5.968 -4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.996 -2.773 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 11 4.332 -5.263 -4.184 1.00 0.00 H new ATOM 154 N PRO A 12 -1.474 -4.604 -10.100 1.00 0.00 N ATOM 155 CA PRO A 12 -1.534 -5.449 -8.899 1.00 0.00 C ATOM 156 C PRO A 12 -0.852 -6.799 -9.144 1.00 0.00 C ATOM 157 O PRO A 12 -0.792 -7.286 -10.255 1.00 0.00 O ATOM 158 CB PRO A 12 -3.044 -5.629 -8.688 1.00 0.00 C ATOM 159 CG PRO A 12 -3.715 -5.376 -10.068 1.00 0.00 C ATOM 160 CD PRO A 12 -2.635 -4.771 -10.987 1.00 0.00 C ATOM 0 HA PRO A 12 -1.024 -5.015 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.268 -6.632 -8.325 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.418 -4.929 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.101 -6.306 -10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.561 -4.696 -9.967 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.407 -5.430 -11.825 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.956 -3.819 -11.409 1.00 0.00 H new ATOM 168 N LYS A 13 -0.341 -7.404 -8.105 1.00 0.00 N ATOM 169 CA LYS A 13 0.337 -8.724 -8.260 1.00 0.00 C ATOM 170 C LYS A 13 -0.399 -9.762 -7.405 1.00 0.00 C ATOM 171 O LYS A 13 -0.878 -9.446 -6.336 1.00 0.00 O ATOM 172 CB LYS A 13 1.799 -8.629 -7.793 1.00 0.00 C ATOM 173 CG LYS A 13 2.188 -7.169 -7.543 1.00 0.00 C ATOM 174 CD LYS A 13 3.613 -7.106 -6.992 1.00 0.00 C ATOM 175 CE LYS A 13 4.219 -5.737 -7.309 1.00 0.00 C ATOM 176 NZ LYS A 13 5.229 -5.882 -8.394 1.00 0.00 N ATOM 0 H LYS A 13 -0.364 -7.040 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 13 0.319 -9.017 -9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.934 -9.209 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.457 -9.063 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.120 -6.600 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.494 -6.713 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.606 -7.273 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.221 -7.896 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.437 -5.043 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.685 -5.318 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.714 -4.974 -8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.925 -6.607 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.754 -6.167 -9.274 1.00 0.00 H new ATOM 190 N PRO A 14 -0.471 -10.971 -7.906 1.00 0.00 N ATOM 191 CA PRO A 14 -1.152 -12.082 -7.207 1.00 0.00 C ATOM 192 C PRO A 14 -0.271 -12.654 -6.093 1.00 0.00 C ATOM 193 O PRO A 14 -0.529 -13.718 -5.567 1.00 0.00 O ATOM 194 CB PRO A 14 -1.367 -13.118 -8.311 1.00 0.00 C ATOM 195 CG PRO A 14 -0.321 -12.810 -9.407 1.00 0.00 C ATOM 196 CD PRO A 14 0.102 -11.343 -9.218 1.00 0.00 C ATOM 0 HA PRO A 14 -2.078 -11.772 -6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.239 -14.129 -7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.379 -13.055 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.538 -13.475 -9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.744 -12.966 -10.400 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.187 -11.236 -9.224 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.285 -10.710 -10.016 1.00 0.00 H new ATOM 204 N ALA A 15 0.762 -11.956 -5.728 1.00 0.00 N ATOM 205 CA ALA A 15 1.657 -12.456 -4.647 1.00 0.00 C ATOM 206 C ALA A 15 2.041 -11.299 -3.724 1.00 0.00 C ATOM 207 O ALA A 15 2.704 -10.365 -4.128 1.00 0.00 O ATOM 208 CB ALA A 15 2.921 -13.053 -5.268 1.00 0.00 C ATOM 0 H ALA A 15 1.029 -11.058 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 15 1.137 -13.222 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.577 -13.419 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.648 -13.879 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.440 -12.287 -5.844 1.00 0.00 H new ATOM 214 N CYS A 16 1.631 -11.350 -2.485 1.00 0.00 N ATOM 215 CA CYS A 16 1.976 -10.251 -1.539 1.00 0.00 C ATOM 216 C CYS A 16 3.087 -10.719 -0.598 1.00 0.00 C ATOM 217 O CYS A 16 2.977 -11.748 0.038 1.00 0.00 O ATOM 218 CB CYS A 16 0.739 -9.873 -0.718 1.00 0.00 C ATOM 219 SG CYS A 16 -0.568 -9.303 -1.829 1.00 0.00 S ATOM 0 H CYS A 16 1.072 -12.105 -2.088 1.00 0.00 H new ATOM 0 HA CYS A 16 2.317 -9.382 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.394 -10.732 -0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.990 -9.091 -0.002 1.00 0.00 H new ATOM 224 N THR A 17 4.155 -9.974 -0.497 1.00 0.00 N ATOM 225 CA THR A 17 5.259 -10.388 0.413 1.00 0.00 C ATOM 226 C THR A 17 4.669 -10.687 1.791 1.00 0.00 C ATOM 227 O THR A 17 3.476 -10.586 1.995 1.00 0.00 O ATOM 228 CB THR A 17 6.290 -9.261 0.526 1.00 0.00 C ATOM 229 OG1 THR A 17 5.621 -8.009 0.561 1.00 0.00 O ATOM 230 CG2 THR A 17 7.229 -9.309 -0.680 1.00 0.00 C ATOM 0 H THR A 17 4.309 -9.102 -1.003 1.00 0.00 H new ATOM 0 HA THR A 17 5.752 -11.276 0.018 1.00 0.00 H new ATOM 0 HB THR A 17 6.869 -9.386 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.280 -7.288 0.635 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.964 -8.508 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.742 -10.270 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.652 -9.183 -1.596 1.00 0.00 H new ATOM 238 N LEU A 18 5.483 -11.057 2.738 1.00 0.00 N ATOM 239 CA LEU A 18 4.937 -11.363 4.089 1.00 0.00 C ATOM 240 C LEU A 18 5.382 -10.294 5.089 1.00 0.00 C ATOM 241 O LEU A 18 4.755 -10.096 6.111 1.00 0.00 O ATOM 242 CB LEU A 18 5.438 -12.735 4.545 1.00 0.00 C ATOM 243 CG LEU A 18 6.966 -12.763 4.493 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.519 -13.082 5.882 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.425 -13.837 3.504 1.00 0.00 C ATOM 0 H LEU A 18 6.493 -11.160 2.638 1.00 0.00 H new ATOM 0 HA LEU A 18 3.848 -11.371 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.094 -12.941 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.027 -13.515 3.904 1.00 0.00 H new ATOM 0 HG LEU A 18 7.334 -11.789 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.608 -13.102 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.194 -12.317 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.149 -14.055 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.514 -13.856 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.055 -14.810 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.033 -13.610 2.513 1.00 0.00 H new ATOM 257 N GLU A 19 6.455 -9.601 4.808 1.00 0.00 N ATOM 258 CA GLU A 19 6.920 -8.543 5.753 1.00 0.00 C ATOM 259 C GLU A 19 5.710 -7.726 6.207 1.00 0.00 C ATOM 260 O GLU A 19 4.919 -7.276 5.402 1.00 0.00 O ATOM 261 CB GLU A 19 7.929 -7.631 5.048 1.00 0.00 C ATOM 262 CG GLU A 19 9.307 -8.296 5.058 1.00 0.00 C ATOM 263 CD GLU A 19 9.783 -8.509 3.619 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.941 -8.737 2.767 1.00 0.00 O ATOM 265 OE2 GLU A 19 10.980 -8.440 3.397 1.00 0.00 O ATOM 0 H GLU A 19 7.026 -9.721 3.971 1.00 0.00 H new ATOM 0 HA GLU A 19 7.402 -9.000 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.611 -7.442 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.975 -6.665 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.019 -7.673 5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.258 -9.251 5.581 1.00 0.00 H new ATOM 272 N TYR A 20 5.539 -7.550 7.489 1.00 0.00 N ATOM 273 CA TYR A 20 4.355 -6.786 7.974 1.00 0.00 C ATOM 274 C TYR A 20 4.617 -5.282 7.911 1.00 0.00 C ATOM 275 O TYR A 20 4.960 -4.656 8.896 1.00 0.00 O ATOM 276 CB TYR A 20 4.030 -7.183 9.413 1.00 0.00 C ATOM 277 CG TYR A 20 2.658 -6.657 9.766 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.588 -6.844 8.880 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.457 -5.979 10.974 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.317 -6.353 9.203 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.186 -5.488 11.296 1.00 0.00 C ATOM 282 CZ TYR A 20 0.117 -5.674 10.412 1.00 0.00 C ATOM 283 OH TYR A 20 -1.136 -5.188 10.731 1.00 0.00 O ATOM 0 H TYR A 20 6.163 -7.899 8.217 1.00 0.00 H new ATOM 0 HA TYR A 20 3.510 -7.024 7.328 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.058 -8.267 9.521 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.777 -6.776 10.095 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.744 -7.367 7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.281 -5.835 11.657 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.508 -6.498 8.521 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.030 -4.965 12.228 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.249 -5.188 11.704 1.00 0.00 H new ATOM 293 N ARG A 21 4.422 -4.695 6.766 1.00 0.00 N ATOM 294 CA ARG A 21 4.613 -3.226 6.629 1.00 0.00 C ATOM 295 C ARG A 21 3.234 -2.619 6.361 1.00 0.00 C ATOM 296 O ARG A 21 2.882 -2.357 5.233 1.00 0.00 O ATOM 297 CB ARG A 21 5.554 -2.932 5.458 1.00 0.00 C ATOM 298 CG ARG A 21 6.736 -3.904 5.496 1.00 0.00 C ATOM 299 CD ARG A 21 8.000 -3.157 5.922 1.00 0.00 C ATOM 300 NE ARG A 21 8.992 -3.188 4.810 1.00 0.00 N ATOM 301 CZ ARG A 21 8.597 -3.026 3.579 1.00 0.00 C ATOM 302 NH1 ARG A 21 7.999 -1.922 3.224 1.00 0.00 N ATOM 303 NH2 ARG A 21 8.800 -3.969 2.699 1.00 0.00 N ATOM 0 H ARG A 21 4.136 -5.174 5.912 1.00 0.00 H new ATOM 0 HA ARG A 21 5.054 -2.802 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.019 -3.031 4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.913 -1.904 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.529 -4.717 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.881 -4.355 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.757 -2.126 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.424 -3.617 6.815 1.00 0.00 H new ATOM 0 HE ARG A 21 9.981 -3.336 5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.840 -1.184 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.690 -1.796 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.268 -4.832 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.491 -3.842 1.735 1.00 0.00 H new ATOM 317 N PRO A 22 2.483 -2.447 7.418 1.00 0.00 N ATOM 318 CA PRO A 22 1.104 -1.929 7.342 1.00 0.00 C ATOM 319 C PRO A 22 1.051 -0.490 6.853 1.00 0.00 C ATOM 320 O PRO A 22 1.453 0.419 7.539 1.00 0.00 O ATOM 321 CB PRO A 22 0.590 -2.050 8.783 1.00 0.00 C ATOM 322 CG PRO A 22 1.840 -2.139 9.683 1.00 0.00 C ATOM 323 CD PRO A 22 2.958 -2.708 8.794 1.00 0.00 C ATOM 0 HA PRO A 22 0.498 -2.483 6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.022 -1.189 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.037 -2.934 8.899 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.112 -1.158 10.073 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.658 -2.784 10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.912 -2.217 8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.106 -3.773 8.971 1.00 0.00 H new ATOM 331 N LEU A 23 0.542 -0.268 5.672 1.00 0.00 N ATOM 332 CA LEU A 23 0.457 1.119 5.174 1.00 0.00 C ATOM 333 C LEU A 23 -0.961 1.626 5.399 1.00 0.00 C ATOM 334 O LEU A 23 -1.908 1.139 4.814 1.00 0.00 O ATOM 335 CB LEU A 23 0.787 1.138 3.689 1.00 0.00 C ATOM 336 CG LEU A 23 2.028 0.287 3.451 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.821 -0.579 2.220 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.231 1.196 3.234 1.00 0.00 C ATOM 0 H LEU A 23 0.186 -0.985 5.040 1.00 0.00 H new ATOM 0 HA LEU A 23 1.164 1.759 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.052 0.751 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.961 2.161 3.354 1.00 0.00 H new ATOM 0 HG LEU A 23 2.203 -0.350 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.709 -1.188 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.959 -1.229 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.646 0.057 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.120 0.589 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.055 1.832 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.381 1.818 4.116 1.00 0.00 H new ATOM 350 N CYS A 24 -1.113 2.608 6.233 1.00 0.00 N ATOM 351 CA CYS A 24 -2.473 3.156 6.485 1.00 0.00 C ATOM 352 C CYS A 24 -2.819 4.042 5.305 1.00 0.00 C ATOM 353 O CYS A 24 -2.056 4.913 4.944 1.00 0.00 O ATOM 354 CB CYS A 24 -2.468 4.014 7.758 1.00 0.00 C ATOM 355 SG CYS A 24 -3.944 5.071 7.805 1.00 0.00 S ATOM 0 H CYS A 24 -0.358 3.057 6.752 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.193 2.347 6.609 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.443 3.372 8.638 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.569 4.630 7.787 1.00 0.00 H new ATOM 360 N GLY A 25 -3.945 3.849 4.690 1.00 0.00 N ATOM 361 CA GLY A 25 -4.254 4.726 3.547 1.00 0.00 C ATOM 362 C GLY A 25 -4.515 6.131 4.090 1.00 0.00 C ATOM 363 O GLY A 25 -4.243 6.417 5.237 1.00 0.00 O ATOM 0 H GLY A 25 -4.644 3.143 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.424 4.738 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.127 4.357 3.008 1.00 0.00 H new ATOM 367 N SER A 26 -5.044 7.006 3.286 1.00 0.00 N ATOM 368 CA SER A 26 -5.321 8.386 3.773 1.00 0.00 C ATOM 369 C SER A 26 -6.755 8.477 4.294 1.00 0.00 C ATOM 370 O SER A 26 -7.158 9.479 4.850 1.00 0.00 O ATOM 371 CB SER A 26 -5.129 9.386 2.631 1.00 0.00 C ATOM 372 OG SER A 26 -4.989 10.694 3.171 1.00 0.00 O ATOM 0 H SER A 26 -5.297 6.828 2.314 1.00 0.00 H new ATOM 0 HA SER A 26 -4.629 8.622 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.246 9.124 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.982 9.349 1.953 1.00 0.00 H new ATOM 0 HG SER A 26 -5.665 10.835 3.866 1.00 0.00 H new ATOM 378 N ASP A 27 -7.533 7.446 4.117 1.00 0.00 N ATOM 379 CA ASP A 27 -8.938 7.498 4.602 1.00 0.00 C ATOM 380 C ASP A 27 -9.044 6.777 5.947 1.00 0.00 C ATOM 381 O ASP A 27 -9.818 7.177 6.789 1.00 0.00 O ATOM 382 CB ASP A 27 -9.868 6.850 3.574 1.00 0.00 C ATOM 383 CG ASP A 27 -9.523 5.373 3.415 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.413 5.086 3.002 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.379 4.555 3.704 1.00 0.00 O ATOM 0 H ASP A 27 -7.259 6.576 3.661 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.237 8.538 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.905 6.957 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.774 7.359 2.615 1.00 0.00 H new ATOM 390 N ASN A 28 -8.242 5.746 6.149 1.00 0.00 N ATOM 391 CA ASN A 28 -8.231 4.977 7.446 1.00 0.00 C ATOM 392 C ASN A 28 -8.248 3.464 7.190 1.00 0.00 C ATOM 393 O ASN A 28 -8.740 2.708 8.005 1.00 0.00 O ATOM 394 CB ASN A 28 -9.431 5.315 8.341 1.00 0.00 C ATOM 395 CG ASN A 28 -9.127 6.579 9.151 1.00 0.00 C ATOM 396 OD1 ASN A 28 -8.002 7.035 9.184 1.00 0.00 O ATOM 397 ND2 ASN A 28 -10.088 7.166 9.809 1.00 0.00 N ATOM 0 H ASN A 28 -7.581 5.399 5.453 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.313 5.270 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.321 5.467 7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.643 4.483 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.895 8.008 10.351 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.033 6.783 9.781 1.00 0.00 H new ATOM 404 N LYS A 29 -7.714 2.998 6.093 1.00 0.00 N ATOM 405 CA LYS A 29 -7.720 1.519 5.858 1.00 0.00 C ATOM 406 C LYS A 29 -6.292 0.977 5.955 1.00 0.00 C ATOM 407 O LYS A 29 -5.451 1.257 5.125 1.00 0.00 O ATOM 408 CB LYS A 29 -8.299 1.186 4.478 1.00 0.00 C ATOM 409 CG LYS A 29 -9.177 2.334 3.987 1.00 0.00 C ATOM 410 CD LYS A 29 -10.160 1.810 2.937 1.00 0.00 C ATOM 411 CE LYS A 29 -11.547 1.668 3.564 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.831 0.228 3.822 1.00 0.00 N ATOM 0 H LYS A 29 -7.281 3.561 5.361 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.346 1.053 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.490 1.007 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.884 0.268 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.721 2.773 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.558 3.123 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.201 2.493 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.821 0.847 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.596 2.232 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.303 2.085 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.775 0.131 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.801 -0.298 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.116 -0.156 4.473 1.00 0.00 H new ATOM 426 N THR A 30 -6.014 0.203 6.970 1.00 0.00 N ATOM 427 CA THR A 30 -4.640 -0.359 7.132 1.00 0.00 C ATOM 428 C THR A 30 -4.453 -1.566 6.209 1.00 0.00 C ATOM 429 O THR A 30 -5.189 -2.531 6.274 1.00 0.00 O ATOM 430 CB THR A 30 -4.441 -0.801 8.586 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.424 0.342 9.429 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.114 -1.554 8.718 1.00 0.00 C ATOM 0 H THR A 30 -6.679 -0.065 7.695 1.00 0.00 H new ATOM 0 HA THR A 30 -3.909 0.407 6.872 1.00 0.00 H new ATOM 0 HB THR A 30 -5.259 -1.458 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.299 0.061 10.359 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.975 -1.867 9.753 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.128 -2.432 8.072 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.294 -0.900 8.423 1.00 0.00 H new ATOM 440 N TYR A 31 -3.462 -1.522 5.363 1.00 0.00 N ATOM 441 CA TYR A 31 -3.204 -2.668 4.447 1.00 0.00 C ATOM 442 C TYR A 31 -2.033 -3.476 5.011 1.00 0.00 C ATOM 443 O TYR A 31 -1.001 -2.930 5.335 1.00 0.00 O ATOM 444 CB TYR A 31 -2.863 -2.132 3.055 1.00 0.00 C ATOM 445 CG TYR A 31 -4.119 -1.595 2.407 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.626 -0.350 2.795 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.775 -2.339 1.419 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.788 0.151 2.197 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.938 -1.838 0.822 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.445 -0.593 1.210 1.00 0.00 C ATOM 451 OH TYR A 31 -7.591 -0.099 0.622 1.00 0.00 O ATOM 0 H TYR A 31 -2.817 -0.738 5.266 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.084 -3.307 4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.113 -1.345 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.434 -2.925 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.120 0.225 3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.384 -3.299 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.178 1.112 2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.444 -2.413 0.061 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.920 -0.739 -0.043 1.00 0.00 H new ATOM 461 N GLY A 32 -2.201 -4.766 5.161 1.00 0.00 N ATOM 462 CA GLY A 32 -1.112 -5.609 5.741 1.00 0.00 C ATOM 463 C GLY A 32 0.258 -5.123 5.271 1.00 0.00 C ATOM 464 O GLY A 32 1.102 -4.769 6.071 1.00 0.00 O ATOM 0 H GLY A 32 -3.049 -5.273 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.161 -5.576 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.255 -6.649 5.447 1.00 0.00 H new ATOM 468 N ASN A 33 0.497 -5.089 3.991 1.00 0.00 N ATOM 469 CA ASN A 33 1.826 -4.606 3.520 1.00 0.00 C ATOM 470 C ASN A 33 1.684 -3.828 2.222 1.00 0.00 C ATOM 471 O ASN A 33 0.621 -3.376 1.862 1.00 0.00 O ATOM 472 CB ASN A 33 2.793 -5.778 3.322 1.00 0.00 C ATOM 473 CG ASN A 33 2.269 -6.730 2.250 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.291 -6.446 1.586 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.890 -7.860 2.052 1.00 0.00 N ATOM 0 H ASN A 33 -0.157 -5.369 3.260 1.00 0.00 H new ATOM 0 HA ASN A 33 2.232 -3.944 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.775 -5.402 3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.920 -6.315 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.555 -8.508 1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.710 -8.096 2.610 1.00 0.00 H new ATOM 482 N LYS A 34 2.770 -3.648 1.541 1.00 0.00 N ATOM 483 CA LYS A 34 2.765 -2.876 0.280 1.00 0.00 C ATOM 484 C LYS A 34 1.962 -3.595 -0.807 1.00 0.00 C ATOM 485 O LYS A 34 1.308 -2.961 -1.605 1.00 0.00 O ATOM 486 CB LYS A 34 4.211 -2.689 -0.169 1.00 0.00 C ATOM 487 CG LYS A 34 5.019 -3.968 0.095 1.00 0.00 C ATOM 488 CD LYS A 34 6.258 -3.990 -0.803 1.00 0.00 C ATOM 489 CE LYS A 34 5.833 -4.191 -2.257 1.00 0.00 C ATOM 490 NZ LYS A 34 5.596 -2.865 -2.893 1.00 0.00 N ATOM 0 H LYS A 34 3.683 -4.013 1.812 1.00 0.00 H new ATOM 0 HA LYS A 34 2.291 -1.909 0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.241 -2.444 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.659 -1.851 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.317 -4.012 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.402 -4.846 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.810 -3.056 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.929 -4.792 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.606 -4.734 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.927 -4.795 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.585 -2.761 -3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.888 -2.110 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.150 -2.797 -3.771 1.00 0.00 H new ATOM 504 N CYS A 35 1.995 -4.896 -0.866 1.00 0.00 N ATOM 505 CA CYS A 35 1.213 -5.589 -1.918 1.00 0.00 C ATOM 506 C CYS A 35 -0.276 -5.335 -1.685 1.00 0.00 C ATOM 507 O CYS A 35 -1.068 -5.325 -2.607 1.00 0.00 O ATOM 508 CB CYS A 35 1.491 -7.091 -1.875 1.00 0.00 C ATOM 509 SG CYS A 35 0.355 -7.941 -3.000 1.00 0.00 S ATOM 0 H CYS A 35 2.524 -5.501 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 35 1.504 -5.205 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.523 -7.290 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.365 -7.467 -0.860 1.00 0.00 H new ATOM 514 N ASN A 36 -0.660 -5.126 -0.457 1.00 0.00 N ATOM 515 CA ASN A 36 -2.095 -4.866 -0.156 1.00 0.00 C ATOM 516 C ASN A 36 -2.406 -3.391 -0.429 1.00 0.00 C ATOM 517 O ASN A 36 -3.234 -3.064 -1.256 1.00 0.00 O ATOM 518 CB ASN A 36 -2.366 -5.196 1.315 1.00 0.00 C ATOM 519 CG ASN A 36 -2.613 -6.699 1.466 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.746 -7.139 1.513 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.595 -7.513 1.548 1.00 0.00 N ATOM 0 H ASN A 36 -0.040 -5.124 0.353 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.730 -5.489 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.518 -4.893 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.232 -4.637 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.751 -8.516 1.651 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.644 -7.146 1.509 1.00 0.00 H new ATOM 528 N PHE A 37 -1.740 -2.497 0.251 1.00 0.00 N ATOM 529 CA PHE A 37 -1.982 -1.044 0.021 1.00 0.00 C ATOM 530 C PHE A 37 -1.877 -0.748 -1.446 1.00 0.00 C ATOM 531 O PHE A 37 -2.521 0.128 -1.988 1.00 0.00 O ATOM 532 CB PHE A 37 -0.919 -0.226 0.737 1.00 0.00 C ATOM 533 CG PHE A 37 -1.309 1.216 0.638 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.462 1.717 1.239 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.509 2.038 -0.144 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.814 3.062 1.053 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.844 3.375 -0.331 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.001 3.895 0.265 1.00 0.00 C ATOM 0 H PHE A 37 -1.037 -2.711 0.958 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.973 -0.789 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.841 -0.530 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.059 -0.389 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.082 1.073 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.379 1.637 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.707 3.457 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.214 4.011 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.267 4.932 0.119 1.00 0.00 H new ATOM 548 N CYS A 38 -1.043 -1.478 -2.070 1.00 0.00 N ATOM 549 CA CYS A 38 -0.824 -1.277 -3.529 1.00 0.00 C ATOM 550 C CYS A 38 -2.016 -1.853 -4.295 1.00 0.00 C ATOM 551 O CYS A 38 -2.453 -1.301 -5.281 1.00 0.00 O ATOM 552 CB CYS A 38 0.458 -1.984 -3.978 1.00 0.00 C ATOM 553 SG CYS A 38 1.903 -1.012 -3.473 1.00 0.00 S ATOM 0 H CYS A 38 -0.487 -2.220 -1.645 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.726 -0.211 -3.733 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.507 -2.981 -3.540 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.454 -2.112 -5.061 1.00 0.00 H new ATOM 558 N ASN A 39 -2.548 -2.956 -3.842 1.00 0.00 N ATOM 559 CA ASN A 39 -3.719 -3.556 -4.539 1.00 0.00 C ATOM 560 C ASN A 39 -4.860 -2.538 -4.545 1.00 0.00 C ATOM 561 O ASN A 39 -5.780 -2.619 -5.335 1.00 0.00 O ATOM 562 CB ASN A 39 -4.161 -4.823 -3.803 1.00 0.00 C ATOM 563 CG ASN A 39 -3.312 -6.004 -4.259 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.172 -5.785 -4.839 1.00 0.00 O flip ATOM 565 ND2 ASN A 39 -3.694 -7.144 -4.085 1.00 0.00 N flip ATOM 0 H ASN A 39 -2.222 -3.466 -3.021 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.450 -3.817 -5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.060 -4.684 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.214 -5.022 -4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.590 -7.318 -3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.119 -7.927 -4.395 1.00 0.00 H new ATOM 572 N ALA A 40 -4.795 -1.570 -3.672 1.00 0.00 N ATOM 573 CA ALA A 40 -5.859 -0.530 -3.625 1.00 0.00 C ATOM 574 C ALA A 40 -5.471 0.607 -4.570 1.00 0.00 C ATOM 575 O ALA A 40 -6.285 1.122 -5.309 1.00 0.00 O ATOM 576 CB ALA A 40 -5.989 0.006 -2.198 1.00 0.00 C ATOM 0 H ALA A 40 -4.048 -1.455 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.814 -0.957 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.768 0.767 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.251 -0.811 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.041 0.444 -1.886 1.00 0.00 H new ATOM 582 N VAL A 41 -4.222 0.990 -4.558 1.00 0.00 N ATOM 583 CA VAL A 41 -3.762 2.079 -5.464 1.00 0.00 C ATOM 584 C VAL A 41 -3.967 1.627 -6.910 1.00 0.00 C ATOM 585 O VAL A 41 -4.107 2.423 -7.816 1.00 0.00 O ATOM 586 CB VAL A 41 -2.271 2.332 -5.227 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.818 3.541 -6.044 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.024 2.591 -3.739 1.00 0.00 C ATOM 0 H VAL A 41 -3.499 0.593 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.325 2.992 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.702 1.456 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.756 3.718 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.988 3.349 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.386 4.420 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.962 2.771 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.594 3.464 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.340 1.722 -3.161 1.00 0.00 H new ATOM 598 N VAL A 42 -3.970 0.344 -7.119 1.00 0.00 N ATOM 599 CA VAL A 42 -4.149 -0.205 -8.489 1.00 0.00 C ATOM 600 C VAL A 42 -5.629 -0.460 -8.765 1.00 0.00 C ATOM 601 O VAL A 42 -6.090 -0.345 -9.884 1.00 0.00 O ATOM 602 CB VAL A 42 -3.372 -1.514 -8.596 1.00 0.00 C ATOM 603 CG1 VAL A 42 -1.887 -1.214 -8.447 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.797 -2.469 -7.481 1.00 0.00 C ATOM 0 H VAL A 42 -3.854 -0.358 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.778 0.511 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.575 -1.977 -9.562 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.319 -2.141 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.573 -0.532 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.704 -0.754 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.237 -3.400 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.595 -2.011 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.863 -2.678 -7.568 1.00 0.00 H new ATOM 614 N GLU A 43 -6.376 -0.807 -7.757 1.00 0.00 N ATOM 615 CA GLU A 43 -7.826 -1.070 -7.967 1.00 0.00 C ATOM 616 C GLU A 43 -8.607 0.229 -7.762 1.00 0.00 C ATOM 617 O GLU A 43 -9.812 0.224 -7.596 1.00 0.00 O ATOM 618 CB GLU A 43 -8.314 -2.128 -6.970 1.00 0.00 C ATOM 619 CG GLU A 43 -9.317 -3.055 -7.658 1.00 0.00 C ATOM 620 CD GLU A 43 -10.628 -3.066 -6.872 1.00 0.00 C ATOM 621 OE1 GLU A 43 -11.261 -2.026 -6.802 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.977 -4.113 -6.354 1.00 0.00 O ATOM 0 H GLU A 43 -6.047 -0.920 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.985 -1.438 -8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.469 -2.705 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.779 -1.646 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.496 -2.719 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.911 -4.064 -7.721 1.00 0.00 H new ATOM 629 N SER A 44 -7.927 1.343 -7.769 1.00 0.00 N ATOM 630 CA SER A 44 -8.624 2.646 -7.570 1.00 0.00 C ATOM 631 C SER A 44 -8.119 3.662 -8.598 1.00 0.00 C ATOM 632 O SER A 44 -8.216 4.858 -8.402 1.00 0.00 O ATOM 633 CB SER A 44 -8.333 3.162 -6.159 1.00 0.00 C ATOM 634 OG SER A 44 -7.270 4.104 -6.213 1.00 0.00 O ATOM 0 H SER A 44 -6.918 1.407 -7.904 1.00 0.00 H new ATOM 0 HA SER A 44 -9.698 2.508 -7.697 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.225 3.627 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.066 2.333 -5.504 1.00 0.00 H new ATOM 0 HG SER A 44 -6.431 3.665 -5.961 1.00 0.00 H new ATOM 640 N ASN A 45 -7.571 3.198 -9.690 1.00 0.00 N ATOM 641 CA ASN A 45 -7.050 4.136 -10.722 1.00 0.00 C ATOM 642 C ASN A 45 -5.876 4.919 -10.131 1.00 0.00 C ATOM 643 O ASN A 45 -5.503 5.969 -10.619 1.00 0.00 O ATOM 644 CB ASN A 45 -8.152 5.109 -11.152 1.00 0.00 C ATOM 645 CG ASN A 45 -8.820 4.592 -12.429 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.178 4.458 -13.452 1.00 0.00 O ATOM 647 ND2 ASN A 45 -10.091 4.297 -12.415 1.00 0.00 N ATOM 0 H ASN A 45 -7.462 2.208 -9.910 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.720 3.572 -11.594 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.892 5.211 -10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.730 6.099 -11.325 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.544 3.954 -13.262 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.631 4.409 -11.557 1.00 0.00 H new ATOM 654 N GLY A 46 -5.295 4.408 -9.081 1.00 0.00 N ATOM 655 CA GLY A 46 -4.144 5.103 -8.438 1.00 0.00 C ATOM 656 C GLY A 46 -4.606 6.444 -7.869 1.00 0.00 C ATOM 657 O GLY A 46 -3.825 7.356 -7.687 1.00 0.00 O ATOM 0 H GLY A 46 -5.570 3.532 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.730 4.483 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.349 5.260 -9.166 1.00 0.00 H new ATOM 661 N THR A 47 -5.870 6.565 -7.579 1.00 0.00 N ATOM 662 CA THR A 47 -6.387 7.841 -7.014 1.00 0.00 C ATOM 663 C THR A 47 -6.339 7.770 -5.485 1.00 0.00 C ATOM 664 O THR A 47 -6.574 8.747 -4.801 1.00 0.00 O ATOM 665 CB THR A 47 -7.834 8.054 -7.472 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.679 7.121 -6.814 1.00 0.00 O ATOM 667 CG2 THR A 47 -7.931 7.851 -8.986 1.00 0.00 C ATOM 0 H THR A 47 -6.569 5.834 -7.709 1.00 0.00 H new ATOM 0 HA THR A 47 -5.773 8.672 -7.362 1.00 0.00 H new ATOM 0 HB THR A 47 -8.146 9.068 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.625 6.254 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.961 8.003 -9.308 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.283 8.567 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.618 6.838 -9.238 1.00 0.00 H new ATOM 675 N LEU A 48 -6.042 6.618 -4.944 1.00 0.00 N ATOM 676 CA LEU A 48 -5.983 6.466 -3.480 1.00 0.00 C ATOM 677 C LEU A 48 -4.650 7.000 -2.953 1.00 0.00 C ATOM 678 O LEU A 48 -3.588 6.653 -3.433 1.00 0.00 O ATOM 679 CB LEU A 48 -6.116 4.969 -3.159 1.00 0.00 C ATOM 680 CG LEU A 48 -5.576 4.663 -1.761 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.739 4.373 -0.824 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.663 3.441 -1.823 1.00 0.00 C ATOM 0 H LEU A 48 -5.836 5.769 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.786 7.029 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.162 4.670 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.572 4.384 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.013 5.521 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.357 4.155 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.395 5.242 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.299 3.514 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.278 3.223 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.227 2.583 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.831 3.643 -2.497 1.00 0.00 H new ATOM 694 N THR A 49 -4.706 7.807 -1.936 1.00 0.00 N ATOM 695 CA THR A 49 -3.463 8.336 -1.320 1.00 0.00 C ATOM 696 C THR A 49 -3.435 7.817 0.112 1.00 0.00 C ATOM 697 O THR A 49 -4.469 7.580 0.695 1.00 0.00 O ATOM 698 CB THR A 49 -3.484 9.865 -1.319 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.336 10.324 -0.278 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.004 10.373 -2.665 1.00 0.00 C ATOM 0 H THR A 49 -5.571 8.127 -1.500 1.00 0.00 H new ATOM 0 HA THR A 49 -2.582 8.015 -1.876 1.00 0.00 H new ATOM 0 HB THR A 49 -2.474 10.241 -1.157 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.350 11.304 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.018 11.463 -2.662 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.351 10.021 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.014 9.998 -2.830 1.00 0.00 H new ATOM 708 N LEU A 50 -2.286 7.600 0.683 1.00 0.00 N ATOM 709 CA LEU A 50 -2.269 7.058 2.064 1.00 0.00 C ATOM 710 C LEU A 50 -2.077 8.193 3.079 1.00 0.00 C ATOM 711 O LEU A 50 -1.979 9.349 2.715 1.00 0.00 O ATOM 712 CB LEU A 50 -1.174 5.973 2.141 1.00 0.00 C ATOM 713 CG LEU A 50 0.044 6.389 2.979 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.531 5.161 3.727 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.161 6.895 2.065 1.00 0.00 C ATOM 0 H LEU A 50 -1.373 7.771 0.261 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.221 6.593 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.603 5.065 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.844 5.729 1.131 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.230 7.185 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.398 5.424 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.264 4.789 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.810 4.386 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.020 7.188 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.454 6.103 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.806 7.756 1.498 1.00 0.00 H new ATOM 727 N SER A 51 -2.023 7.879 4.352 1.00 0.00 N ATOM 728 CA SER A 51 -1.840 8.934 5.370 1.00 0.00 C ATOM 729 C SER A 51 -0.475 8.758 6.031 1.00 0.00 C ATOM 730 O SER A 51 0.241 9.712 6.266 1.00 0.00 O ATOM 731 CB SER A 51 -2.908 8.830 6.467 1.00 0.00 C ATOM 732 OG SER A 51 -3.806 9.926 6.365 1.00 0.00 O ATOM 0 H SER A 51 -2.099 6.931 4.720 1.00 0.00 H new ATOM 0 HA SER A 51 -1.920 9.902 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.453 7.891 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.435 8.825 7.449 1.00 0.00 H new ATOM 0 HG SER A 51 -4.488 9.856 7.065 1.00 0.00 H new ATOM 738 N HIS A 52 -0.120 7.544 6.357 1.00 0.00 N ATOM 739 CA HIS A 52 1.185 7.314 7.034 1.00 0.00 C ATOM 740 C HIS A 52 1.519 5.819 7.050 1.00 0.00 C ATOM 741 O HIS A 52 0.659 4.986 7.252 1.00 0.00 O ATOM 742 CB HIS A 52 1.068 7.802 8.481 1.00 0.00 C ATOM 743 CG HIS A 52 0.192 6.843 9.251 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.637 6.186 10.389 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.086 6.385 9.031 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.356 5.376 10.802 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.427 5.462 10.013 1.00 0.00 N ATOM 0 H HIS A 52 -0.676 6.706 6.184 1.00 0.00 H new ATOM 0 HA HIS A 52 1.970 7.850 6.500 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.055 7.862 8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.643 8.805 8.507 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.727 6.695 8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.292 4.734 11.668 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.309 4.958 10.109 1.00 0.00 H new ATOM 755 N PHE A 53 2.764 5.472 6.873 1.00 0.00 N ATOM 756 CA PHE A 53 3.141 4.033 6.922 1.00 0.00 C ATOM 757 C PHE A 53 2.714 3.473 8.284 1.00 0.00 C ATOM 758 O PHE A 53 2.301 4.209 9.158 1.00 0.00 O ATOM 759 CB PHE A 53 4.659 3.895 6.772 1.00 0.00 C ATOM 760 CG PHE A 53 5.063 4.149 5.340 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.124 5.460 4.850 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.386 3.074 4.504 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.505 5.694 3.524 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.769 3.309 3.178 1.00 0.00 C ATOM 765 CZ PHE A 53 5.829 4.619 2.689 1.00 0.00 C ATOM 0 H PHE A 53 3.532 6.119 6.697 1.00 0.00 H new ATOM 0 HA PHE A 53 2.652 3.488 6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.163 4.602 7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.973 2.896 7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.877 6.290 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.340 2.063 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.549 6.704 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.018 2.480 2.533 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.126 4.800 1.666 1.00 0.00 H new ATOM 775 N GLY A 54 2.807 2.187 8.480 1.00 0.00 N ATOM 776 CA GLY A 54 2.407 1.605 9.780 1.00 0.00 C ATOM 777 C GLY A 54 0.899 1.400 9.802 1.00 0.00 C ATOM 778 O GLY A 54 0.171 1.889 8.961 1.00 0.00 O ATOM 0 H GLY A 54 3.145 1.516 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.916 0.654 9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.707 2.265 10.594 1.00 0.00 H new ATOM 782 N LYS A 55 0.435 0.687 10.770 1.00 0.00 N ATOM 783 CA LYS A 55 -1.035 0.439 10.887 1.00 0.00 C ATOM 784 C LYS A 55 -1.698 1.664 11.514 1.00 0.00 C ATOM 785 O LYS A 55 -1.348 2.087 12.598 1.00 0.00 O ATOM 786 CB LYS A 55 -1.329 -0.797 11.759 1.00 0.00 C ATOM 787 CG LYS A 55 -0.066 -1.267 12.487 1.00 0.00 C ATOM 788 CD LYS A 55 -0.420 -2.387 13.465 1.00 0.00 C ATOM 789 CE LYS A 55 0.831 -2.792 14.249 1.00 0.00 C ATOM 790 NZ LYS A 55 1.085 -1.797 15.330 1.00 0.00 N ATOM 0 H LYS A 55 1.005 0.256 11.498 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.433 0.255 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.105 -0.557 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.715 -1.603 11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.671 -1.621 11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.388 -0.433 13.023 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.200 -2.054 14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.817 -3.246 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.698 -3.785 14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.690 -2.846 13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.850 -2.140 15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.362 -0.888 14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.220 -1.667 15.893 1.00 0.00 H new ATOM 804 N CYS A 56 -2.651 2.245 10.836 1.00 0.00 N ATOM 805 CA CYS A 56 -3.334 3.447 11.390 1.00 0.00 C ATOM 806 C CYS A 56 -3.829 3.145 12.805 1.00 0.00 C ATOM 807 O CYS A 56 -4.031 4.087 13.554 1.00 0.00 O ATOM 808 CB CYS A 56 -4.522 3.815 10.499 1.00 0.00 C ATOM 809 SG CYS A 56 -4.244 5.446 9.769 1.00 0.00 S ATOM 810 OXT CYS A 56 -3.995 1.977 13.117 1.00 0.00 O ATOM 0 H CYS A 56 -2.985 1.938 9.922 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.633 4.281 11.422 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.646 3.069 9.714 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.442 3.818 11.084 1.00 0.00 H new TER 815 CYS A 56