USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 8 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 170:sc= -0.446 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 166:sc= -0.765 (180deg=-1.02) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00967 K(o=-0.0097,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ -106:sc= 1.32 (180deg=0.109) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.053) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.183 -10.335 -2.816 1.00 0.00 N ATOM 67 CA ASN A 8 2.966 -9.749 -1.735 1.00 0.00 C ATOM 68 C ASN A 8 2.141 -8.728 -0.957 1.00 0.00 C ATOM 69 O ASN A 8 1.429 -7.912 -1.543 1.00 0.00 O ATOM 70 CB ASN A 8 4.226 -9.084 -2.293 1.00 0.00 C ATOM 71 CG ASN A 8 5.153 -10.076 -2.969 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.097 -11.276 -2.700 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.010 -9.578 -3.852 1.00 0.00 N ATOM 0 HA ASN A 8 3.256 -10.550 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.940 -8.313 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.759 -8.586 -1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.658 -10.197 -4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.021 -8.576 -4.043 1.00 0.00 H new ATOM 80 N THR A 9 2.242 -8.779 0.368 1.00 0.00 N ATOM 81 CA THR A 9 1.506 -7.860 1.226 1.00 0.00 C ATOM 82 C THR A 9 2.427 -6.796 1.812 1.00 0.00 C ATOM 83 O THR A 9 3.588 -7.068 2.119 1.00 0.00 O ATOM 84 CB THR A 9 0.805 -8.606 2.377 1.00 0.00 C ATOM 85 OG1 THR A 9 1.727 -9.495 3.018 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.392 -9.392 1.864 1.00 0.00 C ATOM 0 H THR A 9 2.827 -9.448 0.870 1.00 0.00 H new ATOM 0 HA THR A 9 0.753 -7.380 0.601 1.00 0.00 H new ATOM 0 HB THR A 9 0.452 -7.868 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.274 -9.964 3.750 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.870 -9.910 2.695 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.106 -8.709 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.059 -10.121 1.125 1.00 0.00 H new ATOM 94 N TYR A 10 1.904 -5.585 1.964 1.00 0.00 N ATOM 95 CA TYR A 10 2.681 -4.479 2.511 1.00 0.00 C ATOM 96 C TYR A 10 1.868 -3.699 3.539 1.00 0.00 C ATOM 97 O TYR A 10 0.705 -3.367 3.307 1.00 0.00 O ATOM 98 CB TYR A 10 3.137 -3.545 1.390 1.00 0.00 C ATOM 99 CG TYR A 10 4.172 -4.158 0.474 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.856 -5.238 -0.340 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.467 -3.657 0.423 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.798 -5.802 -1.178 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.416 -4.213 -0.413 1.00 0.00 C ATOM 104 CZ TYR A 10 6.077 -5.286 -1.211 1.00 0.00 C ATOM 105 OH TYR A 10 7.019 -5.844 -2.044 1.00 0.00 O ATOM 0 H TYR A 10 0.944 -5.344 1.716 1.00 0.00 H new ATOM 0 HA TYR A 10 3.558 -4.895 3.007 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.270 -3.250 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.547 -2.636 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.856 -5.644 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.736 -2.818 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.535 -6.642 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.418 -3.810 -0.442 1.00 0.00 H new ATOM 0 HH TYR A 10 7.814 -5.271 -2.069 1.00 0.00 H new ATOM 115 N VAL A 11 2.489 -3.407 4.678 1.00 0.00 N ATOM 116 CA VAL A 11 1.826 -2.664 5.743 1.00 0.00 C ATOM 117 C VAL A 11 2.170 -1.180 5.674 1.00 0.00 C ATOM 118 O VAL A 11 3.267 -0.806 5.261 1.00 0.00 O ATOM 119 CB VAL A 11 2.214 -3.206 7.131 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.707 -3.040 7.371 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.410 -2.509 8.218 1.00 0.00 C ATOM 0 H VAL A 11 3.451 -3.674 4.887 1.00 0.00 H new ATOM 0 HA VAL A 11 0.753 -2.792 5.598 1.00 0.00 H new ATOM 0 HB VAL A 11 1.981 -4.270 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.962 -3.429 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.261 -3.589 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.969 -1.983 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.697 -2.904 9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.609 -1.438 8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.347 -2.685 8.054 1.00 0.00 H new ATOM 131 N ALA A 12 1.225 -0.340 6.082 1.00 0.00 N ATOM 132 CA ALA A 12 1.428 1.103 6.069 1.00 0.00 C ATOM 133 C ALA A 12 2.142 1.568 7.334 1.00 0.00 C ATOM 134 O ALA A 12 1.773 1.185 8.445 1.00 0.00 O ATOM 135 CB ALA A 12 0.096 1.823 5.919 1.00 0.00 C ATOM 0 H ALA A 12 0.311 -0.634 6.426 1.00 0.00 H new ATOM 0 HA ALA A 12 2.059 1.348 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.263 2.900 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.377 1.522 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.554 1.563 6.754 1.00 0.00 H new ATOM 141 N LEU A 13 3.168 2.394 7.159 1.00 0.00 N ATOM 142 CA LEU A 13 3.935 2.912 8.286 1.00 0.00 C ATOM 143 C LEU A 13 3.331 4.213 8.805 1.00 0.00 C ATOM 144 O LEU A 13 3.319 4.467 10.010 1.00 0.00 O ATOM 145 CB LEU A 13 5.391 3.139 7.876 1.00 0.00 C ATOM 146 CG LEU A 13 6.092 1.957 7.206 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.252 2.440 6.350 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.576 0.962 8.251 1.00 0.00 C ATOM 0 H LEU A 13 3.488 2.719 6.247 1.00 0.00 H new ATOM 0 HA LEU A 13 3.901 2.173 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.427 3.990 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.959 3.416 8.764 1.00 0.00 H new ATOM 0 HG LEU A 13 5.374 1.453 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.739 1.585 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.879 3.113 5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.971 2.968 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.072 0.127 7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.278 1.454 8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.725 0.591 8.822 1.00 0.00 H new ATOM 160 N TYR A 14 2.830 5.033 7.888 1.00 0.00 N ATOM 161 CA TYR A 14 2.225 6.308 8.252 1.00 0.00 C ATOM 162 C TYR A 14 0.893 6.504 7.534 1.00 0.00 C ATOM 163 O TYR A 14 0.647 5.911 6.483 1.00 0.00 O ATOM 164 CB TYR A 14 3.173 7.461 7.917 1.00 0.00 C ATOM 165 CG TYR A 14 4.624 7.155 8.207 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.144 7.304 9.487 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.477 6.715 7.202 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.470 7.026 9.757 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.804 6.434 7.462 1.00 0.00 C ATOM 170 CZ TYR A 14 7.296 6.591 8.741 1.00 0.00 C ATOM 171 OH TYR A 14 8.617 6.312 9.006 1.00 0.00 O ATOM 0 H TYR A 14 2.831 4.837 6.887 1.00 0.00 H new ATOM 0 HA TYR A 14 2.040 6.300 9.326 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.067 7.712 6.862 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.875 8.342 8.486 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.500 7.643 10.285 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.095 6.591 6.199 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.858 7.148 10.757 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.453 6.093 6.669 1.00 0.00 H new ATOM 0 HH TYR A 14 9.060 6.016 8.184 1.00 0.00 H new ATOM 181 N LYS A 15 0.036 7.342 8.108 1.00 0.00 N ATOM 182 CA LYS A 15 -1.270 7.620 7.524 1.00 0.00 C ATOM 183 C LYS A 15 -1.141 8.544 6.317 1.00 0.00 C ATOM 184 O LYS A 15 -0.568 9.629 6.411 1.00 0.00 O ATOM 185 CB LYS A 15 -2.194 8.253 8.567 1.00 0.00 C ATOM 186 CG LYS A 15 -3.544 8.670 8.011 1.00 0.00 C ATOM 187 CD LYS A 15 -4.574 8.840 9.115 1.00 0.00 C ATOM 188 CE LYS A 15 -5.791 9.612 8.629 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.976 9.387 9.503 1.00 0.00 N ATOM 0 H LYS A 15 0.223 7.841 8.978 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.700 6.675 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.349 7.544 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.701 9.126 8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.439 9.606 7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.892 7.921 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.885 7.860 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.122 9.364 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.558 10.676 8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.029 9.310 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.784 9.930 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.214 8.375 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.758 9.699 10.471 1.00 0.00 H new ATOM 203 N PHE A 16 -1.679 8.107 5.183 1.00 0.00 N ATOM 204 CA PHE A 16 -1.624 8.895 3.957 1.00 0.00 C ATOM 205 C PHE A 16 -2.922 9.669 3.749 1.00 0.00 C ATOM 206 O PHE A 16 -4.000 9.210 4.130 1.00 0.00 O ATOM 207 CB PHE A 16 -1.360 7.987 2.754 1.00 0.00 C ATOM 208 CG PHE A 16 -1.032 8.740 1.496 1.00 0.00 C ATOM 209 CD1 PHE A 16 -2.025 9.392 0.783 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.271 8.796 1.027 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.726 10.084 -0.375 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.576 9.487 -0.131 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.423 10.133 -0.832 1.00 0.00 C ATOM 0 H PHE A 16 -2.158 7.212 5.088 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.807 9.610 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.536 7.314 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.238 7.366 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.045 9.359 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.057 8.294 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.510 10.586 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.595 9.522 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.186 10.675 -1.735 1.00 0.00 H new ATOM 223 N VAL A 17 -2.812 10.847 3.143 1.00 0.00 N ATOM 224 CA VAL A 17 -3.976 11.685 2.884 1.00 0.00 C ATOM 225 C VAL A 17 -4.103 12.006 1.399 1.00 0.00 C ATOM 226 O VAL A 17 -3.434 12.894 0.871 1.00 0.00 O ATOM 227 CB VAL A 17 -3.906 13.004 3.678 1.00 0.00 C ATOM 228 CG1 VAL A 17 -5.114 13.876 3.372 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.805 12.722 5.170 1.00 0.00 C ATOM 0 H VAL A 17 -1.928 11.242 2.822 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.850 11.120 3.207 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.011 13.546 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.047 14.803 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.137 14.106 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.025 13.345 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.756 13.664 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.681 12.160 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.905 12.140 5.370 1.00 0.00 H new ATOM 239 N PRO A 18 -4.983 11.266 0.708 1.00 0.00 N ATOM 240 CA PRO A 18 -5.219 11.453 -0.727 1.00 0.00 C ATOM 241 C PRO A 18 -5.935 12.765 -1.030 1.00 0.00 C ATOM 242 O PRO A 18 -7.098 12.944 -0.670 1.00 0.00 O ATOM 243 CB PRO A 18 -6.105 10.261 -1.099 1.00 0.00 C ATOM 244 CG PRO A 18 -6.791 9.889 0.170 1.00 0.00 C ATOM 245 CD PRO A 18 -5.814 10.190 1.273 1.00 0.00 C ATOM 0 HA PRO A 18 -4.287 11.501 -1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.823 10.528 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.512 9.432 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.711 10.459 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.067 8.834 0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.321 10.510 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.217 9.315 1.531 1.00 0.00 H new ATOM 253 N GLN A 19 -5.234 13.677 -1.694 1.00 0.00 N ATOM 254 CA GLN A 19 -5.804 14.972 -2.045 1.00 0.00 C ATOM 255 C GLN A 19 -6.891 14.820 -3.104 1.00 0.00 C ATOM 256 O GLN A 19 -7.933 15.470 -3.034 1.00 0.00 O ATOM 257 CB GLN A 19 -4.710 15.914 -2.551 1.00 0.00 C ATOM 258 CG GLN A 19 -3.769 16.396 -1.459 1.00 0.00 C ATOM 259 CD GLN A 19 -3.030 17.663 -1.843 1.00 0.00 C ATOM 260 OE1 GLN A 19 -3.610 18.749 -1.869 1.00 0.00 O ATOM 261 NE2 GLN A 19 -1.743 17.531 -2.142 1.00 0.00 N ATOM 0 H GLN A 19 -4.270 13.543 -2.000 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.254 15.398 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.130 15.404 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.176 16.778 -3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.338 16.574 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.046 15.612 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.303 16.611 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.194 18.349 -2.406 1.00 0.00 H new ATOM 270 N GLU A 20 -6.639 13.957 -4.083 1.00 0.00 N ATOM 271 CA GLU A 20 -7.596 13.721 -5.158 1.00 0.00 C ATOM 272 C GLU A 20 -8.073 12.271 -5.153 1.00 0.00 C ATOM 273 O GLU A 20 -7.727 11.496 -4.262 1.00 0.00 O ATOM 274 CB GLU A 20 -6.970 14.059 -6.512 1.00 0.00 C ATOM 275 CG GLU A 20 -6.755 15.548 -6.728 1.00 0.00 C ATOM 276 CD GLU A 20 -5.872 16.170 -5.665 1.00 0.00 C ATOM 277 OE1 GLU A 20 -4.723 15.707 -5.503 1.00 0.00 O ATOM 278 OE2 GLU A 20 -6.328 17.119 -4.994 1.00 0.00 O ATOM 0 H GLU A 20 -5.781 13.410 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.457 14.369 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.012 13.546 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.611 13.674 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.305 15.708 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.721 16.054 -6.734 1.00 0.00 H new ATOM 285 N ASN A 21 -8.869 11.913 -6.155 1.00 0.00 N ATOM 286 CA ASN A 21 -9.395 10.557 -6.266 1.00 0.00 C ATOM 287 C ASN A 21 -8.384 9.636 -6.943 1.00 0.00 C ATOM 288 O ASN A 21 -8.758 8.722 -7.677 1.00 0.00 O ATOM 289 CB ASN A 21 -10.707 10.560 -7.054 1.00 0.00 C ATOM 290 CG ASN A 21 -11.918 10.743 -6.159 1.00 0.00 C ATOM 291 OD1 ASN A 21 -12.268 11.864 -5.792 1.00 0.00 O ATOM 292 ND2 ASN A 21 -12.563 9.638 -5.805 1.00 0.00 N ATOM 0 H ASN A 21 -9.164 12.542 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.584 10.183 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.681 11.360 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.801 9.622 -7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.385 9.698 -5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.236 8.729 -6.134 1.00 0.00 H new ATOM 299 N GLU A 22 -7.103 9.884 -6.688 1.00 0.00 N ATOM 300 CA GLU A 22 -6.039 9.076 -7.273 1.00 0.00 C ATOM 301 C GLU A 22 -5.207 8.402 -6.186 1.00 0.00 C ATOM 302 O GLU A 22 -4.804 7.247 -6.324 1.00 0.00 O ATOM 303 CB GLU A 22 -5.138 9.942 -8.157 1.00 0.00 C ATOM 304 CG GLU A 22 -5.896 10.726 -9.215 1.00 0.00 C ATOM 305 CD GLU A 22 -6.768 9.842 -10.084 1.00 0.00 C ATOM 306 OE1 GLU A 22 -6.218 8.944 -10.756 1.00 0.00 O ATOM 307 OE2 GLU A 22 -8.000 10.047 -10.093 1.00 0.00 O ATOM 0 H GLU A 22 -6.777 10.637 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.501 8.302 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.586 10.639 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.402 9.304 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.518 11.478 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.185 11.260 -9.845 1.00 0.00 H new ATOM 314 N ASP A 23 -4.954 9.132 -5.105 1.00 0.00 N ATOM 315 CA ASP A 23 -4.171 8.606 -3.993 1.00 0.00 C ATOM 316 C ASP A 23 -4.975 7.583 -3.198 1.00 0.00 C ATOM 317 O ASP A 23 -6.200 7.518 -3.309 1.00 0.00 O ATOM 318 CB ASP A 23 -3.721 9.744 -3.075 1.00 0.00 C ATOM 319 CG ASP A 23 -2.415 10.369 -3.526 1.00 0.00 C ATOM 320 OD1 ASP A 23 -1.682 9.718 -4.299 1.00 0.00 O ATOM 321 OD2 ASP A 23 -2.126 11.509 -3.104 1.00 0.00 O ATOM 0 H ASP A 23 -5.280 10.090 -4.975 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.291 8.110 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.496 10.510 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.607 9.365 -2.059 1.00 0.00 H new ATOM 326 N LEU A 24 -4.279 6.784 -2.397 1.00 0.00 N ATOM 327 CA LEU A 24 -4.928 5.761 -1.584 1.00 0.00 C ATOM 328 C LEU A 24 -4.823 6.098 -0.100 1.00 0.00 C ATOM 329 O LEU A 24 -3.725 6.222 0.441 1.00 0.00 O ATOM 330 CB LEU A 24 -4.301 4.392 -1.854 1.00 0.00 C ATOM 331 CG LEU A 24 -4.559 3.316 -0.798 1.00 0.00 C ATOM 332 CD1 LEU A 24 -6.025 2.911 -0.797 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.669 2.106 -1.042 1.00 0.00 C ATOM 0 H LEU A 24 -3.265 6.825 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.983 5.730 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.671 4.028 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.224 4.522 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.317 3.728 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.190 2.145 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.643 3.781 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.294 2.517 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.866 1.350 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.880 1.692 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.623 2.408 -0.992 1.00 0.00 H new ATOM 345 N GLU A 25 -5.973 6.243 0.552 1.00 0.00 N ATOM 346 CA GLU A 25 -6.009 6.564 1.974 1.00 0.00 C ATOM 347 C GLU A 25 -5.602 5.358 2.814 1.00 0.00 C ATOM 348 O GLU A 25 -6.365 4.403 2.960 1.00 0.00 O ATOM 349 CB GLU A 25 -7.408 7.033 2.378 1.00 0.00 C ATOM 350 CG GLU A 25 -7.441 7.783 3.699 1.00 0.00 C ATOM 351 CD GLU A 25 -8.631 8.716 3.811 1.00 0.00 C ATOM 352 OE1 GLU A 25 -9.673 8.427 3.187 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.520 9.735 4.525 1.00 0.00 O ATOM 0 H GLU A 25 -6.891 6.143 0.118 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.297 7.369 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.806 7.677 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.067 6.167 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.468 7.066 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.522 8.358 3.809 1.00 0.00 H new ATOM 360 N MET A 26 -4.393 5.408 3.365 1.00 0.00 N ATOM 361 CA MET A 26 -3.885 4.320 4.192 1.00 0.00 C ATOM 362 C MET A 26 -3.586 4.806 5.607 1.00 0.00 C ATOM 363 O MET A 26 -3.468 6.007 5.849 1.00 0.00 O ATOM 364 CB MET A 26 -2.621 3.724 3.568 1.00 0.00 C ATOM 365 CG MET A 26 -1.812 4.726 2.760 1.00 0.00 C ATOM 366 SD MET A 26 -0.564 3.937 1.725 1.00 0.00 S ATOM 367 CE MET A 26 0.916 4.781 2.277 1.00 0.00 C ATOM 0 H MET A 26 -3.748 6.190 3.254 1.00 0.00 H new ATOM 0 HA MET A 26 -4.654 3.549 4.246 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.993 3.316 4.360 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.902 2.892 2.923 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.486 5.308 2.131 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.326 5.426 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.795 4.244 1.921 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.926 5.796 1.880 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.929 4.818 3.366 1.00 0.00 H new ATOM 377 N ARG A 27 -3.466 3.865 6.538 1.00 0.00 N ATOM 378 CA ARG A 27 -3.183 4.198 7.929 1.00 0.00 C ATOM 379 C ARG A 27 -2.098 3.287 8.496 1.00 0.00 C ATOM 380 O ARG A 27 -1.865 2.181 8.009 1.00 0.00 O ATOM 381 CB ARG A 27 -4.454 4.081 8.772 1.00 0.00 C ATOM 382 CG ARG A 27 -5.297 2.862 8.437 1.00 0.00 C ATOM 383 CD ARG A 27 -6.769 3.104 8.732 1.00 0.00 C ATOM 384 NE ARG A 27 -7.045 3.116 10.166 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.249 2.900 10.685 1.00 0.00 C ATOM 386 NH1 ARG A 27 -9.283 2.657 9.891 1.00 0.00 N ATOM 387 NH2 ARG A 27 -8.421 2.927 12.000 1.00 0.00 N ATOM 0 H ARG A 27 -3.560 2.866 6.354 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.825 5.227 7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.179 4.043 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.057 4.978 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.173 2.611 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.945 2.006 9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.074 4.055 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.367 2.328 8.254 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.271 3.300 10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.155 2.636 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.206 2.492 10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.628 3.114 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.346 2.761 12.397 1.00 0.00 H new ATOM 401 N PRO A 28 -1.418 3.762 9.550 1.00 0.00 N ATOM 402 CA PRO A 28 -0.347 3.007 10.207 1.00 0.00 C ATOM 403 C PRO A 28 -0.874 1.795 10.968 1.00 0.00 C ATOM 404 O PRO A 28 -1.259 1.901 12.132 1.00 0.00 O ATOM 405 CB PRO A 28 0.261 4.024 11.175 1.00 0.00 C ATOM 406 CG PRO A 28 -0.838 4.990 11.450 1.00 0.00 C ATOM 407 CD PRO A 28 -1.644 5.073 10.183 1.00 0.00 C ATOM 0 HA PRO A 28 0.366 2.602 9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.603 3.543 12.091 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.125 4.522 10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.455 4.653 12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.439 5.967 11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.701 5.243 10.389 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.308 5.891 9.545 1.00 0.00 H new ATOM 415 N GLY A 29 -0.889 0.644 10.303 1.00 0.00 N ATOM 416 CA GLY A 29 -1.371 -0.571 10.933 1.00 0.00 C ATOM 417 C GLY A 29 -2.379 -1.309 10.075 1.00 0.00 C ATOM 418 O GLY A 29 -3.042 -2.235 10.542 1.00 0.00 O ATOM 0 H GLY A 29 -0.576 0.531 9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.527 -1.228 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.827 -0.323 11.892 1.00 0.00 H new ATOM 422 N ASP A 30 -2.497 -0.897 8.817 1.00 0.00 N ATOM 423 CA ASP A 30 -3.432 -1.525 7.891 1.00 0.00 C ATOM 424 C ASP A 30 -2.708 -2.491 6.959 1.00 0.00 C ATOM 425 O ASP A 30 -1.484 -2.447 6.833 1.00 0.00 O ATOM 426 CB ASP A 30 -4.166 -0.461 7.074 1.00 0.00 C ATOM 427 CG ASP A 30 -5.438 0.013 7.749 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.545 -0.137 8.985 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.326 0.533 7.042 1.00 0.00 O ATOM 0 H ASP A 30 -1.957 -0.131 8.415 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.159 -2.089 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.504 0.390 6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.409 -0.865 6.091 1.00 0.00 H new ATOM 434 N ILE A 31 -3.472 -3.362 6.308 1.00 0.00 N ATOM 435 CA ILE A 31 -2.903 -4.338 5.387 1.00 0.00 C ATOM 436 C ILE A 31 -3.196 -3.963 3.939 1.00 0.00 C ATOM 437 O ILE A 31 -4.355 -3.816 3.548 1.00 0.00 O ATOM 438 CB ILE A 31 -3.446 -5.753 5.660 1.00 0.00 C ATOM 439 CG1 ILE A 31 -3.172 -6.157 7.110 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.823 -6.754 4.699 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.701 -6.312 7.427 1.00 0.00 C ATOM 0 H ILE A 31 -4.487 -3.412 6.401 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.825 -4.334 5.549 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.524 -5.749 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.601 -5.407 7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.681 -7.098 7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.217 -7.749 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.064 -6.473 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.741 -6.758 4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.582 -6.599 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.270 -7.082 6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.189 -5.366 7.250 1.00 0.00 H new ATOM 453 N ILE A 32 -2.140 -3.813 3.146 1.00 0.00 N ATOM 454 CA ILE A 32 -2.285 -3.459 1.740 1.00 0.00 C ATOM 455 C ILE A 32 -1.787 -4.581 0.836 1.00 0.00 C ATOM 456 O ILE A 32 -0.798 -5.248 1.142 1.00 0.00 O ATOM 457 CB ILE A 32 -1.519 -2.166 1.403 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.060 -0.997 2.228 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.619 -1.863 -0.084 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.029 0.074 2.508 1.00 0.00 C ATOM 0 H ILE A 32 -1.175 -3.931 3.454 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.349 -3.298 1.564 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.468 -2.308 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.902 -0.550 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.443 -1.378 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.073 -0.946 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.190 -2.688 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.666 -1.737 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.483 0.871 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.197 -0.358 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.663 0.482 1.566 1.00 0.00 H new ATOM 472 N THR A 33 -2.478 -4.785 -0.281 1.00 0.00 N ATOM 473 CA THR A 33 -2.106 -5.826 -1.231 1.00 0.00 C ATOM 474 C THR A 33 -1.511 -5.226 -2.500 1.00 0.00 C ATOM 475 O THR A 33 -2.200 -4.540 -3.256 1.00 0.00 O ATOM 476 CB THR A 33 -3.317 -6.700 -1.608 1.00 0.00 C ATOM 477 OG1 THR A 33 -3.867 -7.308 -0.435 1.00 0.00 O ATOM 478 CG2 THR A 33 -2.916 -7.779 -2.604 1.00 0.00 C ATOM 0 H THR A 33 -3.299 -4.243 -0.550 1.00 0.00 H new ATOM 0 HA THR A 33 -1.357 -6.448 -0.741 1.00 0.00 H new ATOM 0 HB THR A 33 -4.068 -6.060 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.637 -7.860 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.787 -8.384 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.525 -7.312 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.148 -8.415 -2.163 1.00 0.00 H new ATOM 486 N LEU A 34 -0.230 -5.489 -2.728 1.00 0.00 N ATOM 487 CA LEU A 34 0.458 -4.975 -3.908 1.00 0.00 C ATOM 488 C LEU A 34 -0.156 -5.539 -5.185 1.00 0.00 C ATOM 489 O LEU A 34 -0.283 -6.754 -5.342 1.00 0.00 O ATOM 490 CB LEU A 34 1.947 -5.324 -3.847 1.00 0.00 C ATOM 491 CG LEU A 34 2.895 -4.344 -4.539 1.00 0.00 C ATOM 492 CD1 LEU A 34 2.754 -2.953 -3.941 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.333 -4.829 -4.433 1.00 0.00 C ATOM 0 H LEU A 34 0.354 -6.055 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 34 0.345 -3.891 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.239 -5.402 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.087 -6.309 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 34 2.627 -4.292 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.436 -2.269 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.729 -2.604 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.995 -2.988 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.994 -4.119 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.613 -4.910 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.424 -5.805 -4.909 1.00 0.00 H new ATOM 505 N LEU A 35 -0.533 -4.649 -6.096 1.00 0.00 N ATOM 506 CA LEU A 35 -1.132 -5.057 -7.362 1.00 0.00 C ATOM 507 C LEU A 35 -0.234 -4.681 -8.536 1.00 0.00 C ATOM 508 O LEU A 35 0.146 -5.535 -9.338 1.00 0.00 O ATOM 509 CB LEU A 35 -2.508 -4.410 -7.531 1.00 0.00 C ATOM 510 CG LEU A 35 -3.399 -4.397 -6.289 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.392 -3.246 -6.357 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.128 -5.724 -6.141 1.00 0.00 C ATOM 0 H LEU A 35 -0.435 -3.640 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.246 -6.141 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.366 -3.381 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.037 -4.932 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.766 -4.254 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.018 -3.252 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.851 -2.302 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.019 -3.359 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.757 -5.696 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.749 -5.898 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.401 -6.530 -6.046 1.00 0.00 H new ATOM 524 N GLU A 36 0.104 -3.399 -8.629 1.00 0.00 N ATOM 525 CA GLU A 36 0.960 -2.911 -9.705 1.00 0.00 C ATOM 526 C GLU A 36 2.325 -2.492 -9.167 1.00 0.00 C ATOM 527 O GLU A 36 2.464 -1.435 -8.552 1.00 0.00 O ATOM 528 CB GLU A 36 0.296 -1.731 -10.419 1.00 0.00 C ATOM 529 CG GLU A 36 0.675 -1.617 -11.886 1.00 0.00 C ATOM 530 CD GLU A 36 0.435 -2.903 -12.652 1.00 0.00 C ATOM 531 OE1 GLU A 36 1.324 -3.780 -12.631 1.00 0.00 O ATOM 532 OE2 GLU A 36 -0.641 -3.033 -13.273 1.00 0.00 O ATOM 0 H GLU A 36 -0.201 -2.680 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 36 1.104 -3.723 -10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.786 -1.831 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.570 -0.808 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.100 -0.813 -12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.727 -1.342 -11.965 1.00 0.00 H new ATOM 539 N ASP A 37 3.329 -3.329 -9.402 1.00 0.00 N ATOM 540 CA ASP A 37 4.684 -3.047 -8.942 1.00 0.00 C ATOM 541 C ASP A 37 5.604 -2.739 -10.119 1.00 0.00 C ATOM 542 O ASP A 37 6.795 -3.050 -10.087 1.00 0.00 O ATOM 543 CB ASP A 37 5.232 -4.232 -8.146 1.00 0.00 C ATOM 544 CG ASP A 37 5.446 -5.460 -9.009 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.670 -5.297 -10.226 1.00 0.00 O ATOM 546 OD2 ASP A 37 5.388 -6.584 -8.467 1.00 0.00 O ATOM 0 H ASP A 37 3.230 -4.209 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 37 4.647 -2.171 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.177 -3.948 -7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.541 -4.475 -7.339 1.00 0.00 H new ATOM 551 N SER A 38 5.044 -2.127 -11.158 1.00 0.00 N ATOM 552 CA SER A 38 5.813 -1.781 -12.347 1.00 0.00 C ATOM 553 C SER A 38 6.746 -0.607 -12.068 1.00 0.00 C ATOM 554 O SER A 38 7.809 -0.487 -12.676 1.00 0.00 O ATOM 555 CB SER A 38 4.874 -1.437 -13.505 1.00 0.00 C ATOM 556 OG SER A 38 5.545 -1.528 -14.750 1.00 0.00 O ATOM 0 H SER A 38 4.060 -1.861 -11.200 1.00 0.00 H new ATOM 0 HA SER A 38 6.417 -2.645 -12.623 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.020 -2.114 -13.498 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.482 -0.429 -13.372 1.00 0.00 H new ATOM 0 HG SER A 38 4.923 -1.305 -15.474 1.00 0.00 H new ATOM 562 N ASN A 39 6.340 0.258 -11.145 1.00 0.00 N ATOM 563 CA ASN A 39 7.138 1.424 -10.785 1.00 0.00 C ATOM 564 C ASN A 39 8.157 1.073 -9.704 1.00 0.00 C ATOM 565 O ASN A 39 8.284 -0.086 -9.311 1.00 0.00 O ATOM 566 CB ASN A 39 6.233 2.558 -10.299 1.00 0.00 C ATOM 567 CG ASN A 39 5.363 3.118 -11.407 1.00 0.00 C ATOM 568 OD1 ASN A 39 5.702 3.021 -12.587 1.00 0.00 O ATOM 569 ND2 ASN A 39 4.234 3.708 -11.032 1.00 0.00 N ATOM 0 H ASN A 39 5.462 0.173 -10.632 1.00 0.00 H new ATOM 0 HA ASN A 39 7.676 1.753 -11.674 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.598 2.192 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.847 3.357 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.608 4.103 -11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.993 3.766 -10.043 1.00 0.00 H new ATOM 576 N GLU A 40 8.880 2.083 -9.230 1.00 0.00 N ATOM 577 CA GLU A 40 9.887 1.880 -8.195 1.00 0.00 C ATOM 578 C GLU A 40 9.601 2.754 -6.978 1.00 0.00 C ATOM 579 O GLU A 40 9.455 2.255 -5.862 1.00 0.00 O ATOM 580 CB GLU A 40 11.282 2.190 -8.742 1.00 0.00 C ATOM 581 CG GLU A 40 11.688 1.306 -9.909 1.00 0.00 C ATOM 582 CD GLU A 40 11.021 1.712 -11.209 1.00 0.00 C ATOM 583 OE1 GLU A 40 11.506 2.666 -11.853 1.00 0.00 O ATOM 584 OE2 GLU A 40 10.013 1.075 -11.582 1.00 0.00 O ATOM 0 H GLU A 40 8.787 3.048 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 40 9.849 0.835 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.316 3.233 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.011 2.076 -7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.770 1.348 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.433 0.271 -9.682 1.00 0.00 H new ATOM 591 N ASP A 41 9.521 4.061 -7.201 1.00 0.00 N ATOM 592 CA ASP A 41 9.252 5.007 -6.124 1.00 0.00 C ATOM 593 C ASP A 41 7.928 4.685 -5.438 1.00 0.00 C ATOM 594 O ASP A 41 7.905 4.218 -4.300 1.00 0.00 O ATOM 595 CB ASP A 41 9.226 6.437 -6.666 1.00 0.00 C ATOM 596 CG ASP A 41 10.446 6.760 -7.505 1.00 0.00 C ATOM 597 OD1 ASP A 41 11.461 7.206 -6.930 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.387 6.565 -8.737 1.00 0.00 O ATOM 0 H ASP A 41 9.639 4.490 -8.119 1.00 0.00 H new ATOM 0 HA ASP A 41 10.052 4.921 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.328 6.578 -7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.166 7.137 -5.833 1.00 0.00 H new ATOM 603 N TRP A 42 6.828 4.941 -6.138 1.00 0.00 N ATOM 604 CA TRP A 42 5.499 4.680 -5.595 1.00 0.00 C ATOM 605 C TRP A 42 4.940 3.367 -6.133 1.00 0.00 C ATOM 606 O TRP A 42 5.207 2.990 -7.274 1.00 0.00 O ATOM 607 CB TRP A 42 4.551 5.830 -5.937 1.00 0.00 C ATOM 608 CG TRP A 42 4.932 7.126 -5.288 1.00 0.00 C ATOM 609 CD1 TRP A 42 6.176 7.688 -5.247 1.00 0.00 C ATOM 610 CD2 TRP A 42 4.062 8.020 -4.585 1.00 0.00 C ATOM 611 NE1 TRP A 42 6.132 8.878 -4.561 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.847 9.105 -4.145 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.697 8.012 -4.286 1.00 0.00 C ATOM 614 CZ2 TRP A 42 4.310 10.167 -3.423 1.00 0.00 C ATOM 615 CZ3 TRP A 42 2.166 9.067 -3.568 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.970 10.132 -3.144 1.00 0.00 C ATOM 0 H TRP A 42 6.830 5.329 -7.082 1.00 0.00 H new ATOM 0 HA TRP A 42 5.586 4.600 -4.511 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.531 5.965 -7.018 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.540 5.562 -5.630 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.064 7.260 -5.689 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.928 9.493 -4.389 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.068 7.196 -4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.928 10.989 -3.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.113 9.070 -3.330 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.524 10.942 -2.586 1.00 0.00 H new ATOM 627 N TRP A 43 4.165 2.676 -5.305 1.00 0.00 N ATOM 628 CA TRP A 43 3.568 1.405 -5.699 1.00 0.00 C ATOM 629 C TRP A 43 2.052 1.444 -5.543 1.00 0.00 C ATOM 630 O TRP A 43 1.514 2.273 -4.809 1.00 0.00 O ATOM 631 CB TRP A 43 4.150 0.264 -4.863 1.00 0.00 C ATOM 632 CG TRP A 43 5.585 -0.032 -5.179 1.00 0.00 C ATOM 633 CD1 TRP A 43 6.212 0.139 -6.380 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.571 -0.552 -4.280 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.528 -0.244 -6.282 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.773 -0.671 -5.004 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.555 -0.927 -2.934 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.945 -1.150 -4.426 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.719 -1.403 -2.362 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.902 -1.510 -3.107 1.00 0.00 C ATOM 0 H TRP A 43 3.935 2.974 -4.357 1.00 0.00 H new ATOM 0 HA TRP A 43 3.802 1.232 -6.750 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.063 0.516 -3.806 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.557 -0.636 -5.026 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.743 0.519 -7.275 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.212 -0.215 -7.038 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.649 -0.846 -2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.857 -1.235 -4.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.718 -1.698 -1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.796 -1.884 -2.630 1.00 0.00 H new ATOM 651 N LYS A 44 1.366 0.542 -6.237 1.00 0.00 N ATOM 652 CA LYS A 44 -0.089 0.472 -6.175 1.00 0.00 C ATOM 653 C LYS A 44 -0.541 -0.777 -5.426 1.00 0.00 C ATOM 654 O LYS A 44 -0.016 -1.868 -5.643 1.00 0.00 O ATOM 655 CB LYS A 44 -0.681 0.475 -7.586 1.00 0.00 C ATOM 656 CG LYS A 44 -2.116 0.969 -7.642 1.00 0.00 C ATOM 657 CD LYS A 44 -2.855 0.401 -8.843 1.00 0.00 C ATOM 658 CE LYS A 44 -4.346 0.689 -8.767 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.639 2.141 -8.916 1.00 0.00 N ATOM 0 H LYS A 44 1.795 -0.151 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.448 1.349 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.064 1.103 -8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.637 -0.536 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.635 0.685 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.125 2.058 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.447 0.829 -9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.694 -0.676 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.864 0.132 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.736 0.336 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.903 2.539 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.795 2.630 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.425 2.270 -9.585 1.00 0.00 H new ATOM 673 N GLY A 45 -1.521 -0.609 -4.542 1.00 0.00 N ATOM 674 CA GLY A 45 -2.029 -1.732 -3.775 1.00 0.00 C ATOM 675 C GLY A 45 -3.519 -1.631 -3.517 1.00 0.00 C ATOM 676 O GLY A 45 -4.194 -0.759 -4.064 1.00 0.00 O ATOM 0 H GLY A 45 -1.972 0.284 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.818 -2.658 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.501 -1.786 -2.823 1.00 0.00 H new ATOM 680 N LYS A 46 -4.035 -2.526 -2.682 1.00 0.00 N ATOM 681 CA LYS A 46 -5.455 -2.536 -2.352 1.00 0.00 C ATOM 682 C LYS A 46 -5.663 -2.519 -0.841 1.00 0.00 C ATOM 683 O LYS A 46 -4.753 -2.844 -0.077 1.00 0.00 O ATOM 684 CB LYS A 46 -6.132 -3.768 -2.957 1.00 0.00 C ATOM 685 CG LYS A 46 -7.643 -3.769 -2.803 1.00 0.00 C ATOM 686 CD LYS A 46 -8.256 -5.059 -3.320 1.00 0.00 C ATOM 687 CE LYS A 46 -8.196 -6.163 -2.275 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.038 -7.331 -2.653 1.00 0.00 N ATOM 0 H LYS A 46 -3.490 -3.255 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.906 -1.638 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.883 -3.825 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.727 -4.663 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.902 -3.637 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.065 -2.922 -3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.293 -4.882 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.729 -5.379 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.163 -6.486 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.529 -5.772 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.970 -8.061 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.028 -7.028 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.705 -7.721 -3.558 1.00 0.00 H new ATOM 702 N ILE A 47 -6.864 -2.141 -0.417 1.00 0.00 N ATOM 703 CA ILE A 47 -7.190 -2.086 1.002 1.00 0.00 C ATOM 704 C ILE A 47 -8.634 -2.509 1.252 1.00 0.00 C ATOM 705 O ILE A 47 -9.442 -2.566 0.326 1.00 0.00 O ATOM 706 CB ILE A 47 -6.976 -0.672 1.574 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.621 -0.117 1.128 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.071 -0.695 3.093 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.261 1.197 1.784 1.00 0.00 C ATOM 0 H ILE A 47 -7.627 -1.868 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.518 -2.780 1.507 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.759 -0.018 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.846 -0.850 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.630 0.017 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.918 0.311 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.057 -1.053 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.307 -1.360 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.289 1.531 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.016 1.945 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.219 1.064 2.865 1.00 0.00 H new ATOM 721 N GLN A 48 -8.949 -2.804 2.509 1.00 0.00 N ATOM 722 CA GLN A 48 -10.296 -3.222 2.880 1.00 0.00 C ATOM 723 C GLN A 48 -11.335 -2.590 1.959 1.00 0.00 C ATOM 724 O GLN A 48 -11.926 -3.267 1.117 1.00 0.00 O ATOM 725 CB GLN A 48 -10.588 -2.843 4.333 1.00 0.00 C ATOM 726 CG GLN A 48 -9.879 -3.727 5.346 1.00 0.00 C ATOM 727 CD GLN A 48 -10.454 -5.128 5.403 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.439 -5.379 6.097 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.841 -6.050 4.670 1.00 0.00 N ATOM 0 H GLN A 48 -8.291 -2.761 3.287 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.355 -4.305 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.291 -1.807 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.663 -2.897 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.820 -3.783 5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.949 -3.270 6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.027 -5.798 4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.184 -7.011 4.668 1.00 0.00 H new ATOM 738 N ASP A 49 -11.553 -1.290 2.125 1.00 0.00 N ATOM 739 CA ASP A 49 -12.520 -0.567 1.308 1.00 0.00 C ATOM 740 C ASP A 49 -11.868 0.633 0.628 1.00 0.00 C ATOM 741 O ASP A 49 -12.553 1.532 0.142 1.00 0.00 O ATOM 742 CB ASP A 49 -13.699 -0.103 2.165 1.00 0.00 C ATOM 743 CG ASP A 49 -13.276 0.287 3.568 1.00 0.00 C ATOM 744 OD1 ASP A 49 -12.605 1.330 3.716 1.00 0.00 O ATOM 745 OD2 ASP A 49 -13.616 -0.450 4.517 1.00 0.00 O ATOM 0 H ASP A 49 -11.073 -0.716 2.818 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.885 -1.245 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.181 0.748 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.440 -0.900 2.220 1.00 0.00 H new ATOM 750 N ARG A 50 -10.539 0.639 0.598 1.00 0.00 N ATOM 751 CA ARG A 50 -9.794 1.729 -0.021 1.00 0.00 C ATOM 752 C ARG A 50 -8.840 1.199 -1.087 1.00 0.00 C ATOM 753 O ARG A 50 -8.248 0.131 -0.929 1.00 0.00 O ATOM 754 CB ARG A 50 -9.010 2.505 1.039 1.00 0.00 C ATOM 755 CG ARG A 50 -9.856 2.940 2.225 1.00 0.00 C ATOM 756 CD ARG A 50 -10.900 3.968 1.818 1.00 0.00 C ATOM 757 NE ARG A 50 -11.601 4.523 2.972 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.703 5.259 2.879 1.00 0.00 C ATOM 759 NH1 ARG A 50 -13.226 5.528 1.690 1.00 0.00 N ATOM 760 NH2 ARG A 50 -13.284 5.728 3.976 1.00 0.00 N ATOM 0 H ARG A 50 -9.956 -0.098 0.995 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.509 2.399 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.188 1.885 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.566 3.387 0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -10.350 2.071 2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.212 3.360 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.418 4.774 1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.621 3.505 1.144 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.224 4.335 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.782 5.169 0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.072 6.093 1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.884 5.524 4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.130 6.293 3.903 1.00 0.00 H new ATOM 774 N ILE A 51 -8.697 1.952 -2.173 1.00 0.00 N ATOM 775 CA ILE A 51 -7.815 1.558 -3.264 1.00 0.00 C ATOM 776 C ILE A 51 -7.195 2.778 -3.937 1.00 0.00 C ATOM 777 O ILE A 51 -7.810 3.841 -4.008 1.00 0.00 O ATOM 778 CB ILE A 51 -8.566 0.729 -4.323 1.00 0.00 C ATOM 779 CG1 ILE A 51 -8.979 -0.625 -3.743 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.700 0.540 -5.559 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.331 -0.605 -3.065 1.00 0.00 C ATOM 0 H ILE A 51 -9.181 2.838 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.026 0.946 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.467 1.269 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.994 -1.365 -4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.226 -0.948 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.244 -0.048 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.451 1.514 -5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.783 0.018 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.559 -1.598 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.315 0.110 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.095 -0.313 -3.785 1.00 0.00 H new ATOM 793 N GLY A 52 -5.971 2.616 -4.431 1.00 0.00 N ATOM 794 CA GLY A 52 -5.287 3.712 -5.093 1.00 0.00 C ATOM 795 C GLY A 52 -3.780 3.556 -5.065 1.00 0.00 C ATOM 796 O GLY A 52 -3.265 2.474 -4.785 1.00 0.00 O ATOM 0 H GLY A 52 -5.441 1.746 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.624 3.774 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.561 4.651 -4.612 1.00 0.00 H new ATOM 800 N PHE A 53 -3.069 4.641 -5.356 1.00 0.00 N ATOM 801 CA PHE A 53 -1.611 4.620 -5.365 1.00 0.00 C ATOM 802 C PHE A 53 -1.051 5.147 -4.047 1.00 0.00 C ATOM 803 O PHE A 53 -1.743 5.836 -3.297 1.00 0.00 O ATOM 804 CB PHE A 53 -1.075 5.455 -6.530 1.00 0.00 C ATOM 805 CG PHE A 53 -1.774 5.186 -7.832 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.408 4.107 -8.620 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.798 6.012 -8.267 1.00 0.00 C ATOM 808 CE1 PHE A 53 -2.050 3.858 -9.819 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.443 5.768 -9.465 1.00 0.00 C ATOM 810 CZ PHE A 53 -3.069 4.689 -10.241 1.00 0.00 C ATOM 0 H PHE A 53 -3.479 5.545 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.288 3.586 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.175 6.512 -6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.010 5.255 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.613 3.453 -8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.096 6.856 -7.663 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.755 3.014 -10.425 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.238 6.420 -9.794 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.573 4.495 -11.177 1.00 0.00 H new ATOM 820 N PHE A 54 0.206 4.817 -3.771 1.00 0.00 N ATOM 821 CA PHE A 54 0.859 5.255 -2.543 1.00 0.00 C ATOM 822 C PHE A 54 2.370 5.062 -2.633 1.00 0.00 C ATOM 823 O PHE A 54 2.870 4.192 -3.346 1.00 0.00 O ATOM 824 CB PHE A 54 0.306 4.484 -1.343 1.00 0.00 C ATOM 825 CG PHE A 54 0.488 2.996 -1.450 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.696 2.407 -1.113 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.548 2.188 -1.887 1.00 0.00 C ATOM 828 CE1 PHE A 54 1.866 1.039 -1.211 1.00 0.00 C ATOM 829 CE2 PHE A 54 -0.384 0.819 -1.987 1.00 0.00 C ATOM 830 CZ PHE A 54 0.825 0.244 -1.648 1.00 0.00 C ATOM 0 H PHE A 54 0.793 4.248 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 54 0.653 6.317 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.797 4.838 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.756 4.705 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.514 3.024 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.496 2.633 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.813 0.592 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.200 0.200 -2.330 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.956 -0.825 -1.725 1.00 0.00 H new ATOM 840 N PRO A 55 3.117 5.895 -1.892 1.00 0.00 N ATOM 841 CA PRO A 55 4.582 5.837 -1.870 1.00 0.00 C ATOM 842 C PRO A 55 5.102 4.587 -1.167 1.00 0.00 C ATOM 843 O PRO A 55 4.470 4.074 -0.245 1.00 0.00 O ATOM 844 CB PRO A 55 4.975 7.093 -1.089 1.00 0.00 C ATOM 845 CG PRO A 55 3.794 7.390 -0.230 1.00 0.00 C ATOM 846 CD PRO A 55 2.589 6.956 -1.019 1.00 0.00 C ATOM 0 HA PRO A 55 5.004 5.794 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.868 6.922 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.196 7.923 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.855 6.853 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.742 8.452 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.796 6.585 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.169 7.779 -1.596 1.00 0.00 H new ATOM 854 N ALA A 56 6.258 4.104 -1.610 1.00 0.00 N ATOM 855 CA ALA A 56 6.865 2.916 -1.021 1.00 0.00 C ATOM 856 C ALA A 56 7.506 3.236 0.325 1.00 0.00 C ATOM 857 O ALA A 56 7.543 2.395 1.221 1.00 0.00 O ATOM 858 CB ALA A 56 7.895 2.323 -1.971 1.00 0.00 C ATOM 0 H ALA A 56 6.793 4.517 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 56 6.077 2.182 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.340 1.437 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.410 2.047 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.674 3.059 -2.169 1.00 0.00 H new ATOM 864 N ASN A 57 8.010 4.459 0.459 1.00 0.00 N ATOM 865 CA ASN A 57 8.651 4.890 1.695 1.00 0.00 C ATOM 866 C ASN A 57 7.665 4.860 2.859 1.00 0.00 C ATOM 867 O ASN A 57 8.060 4.741 4.019 1.00 0.00 O ATOM 868 CB ASN A 57 9.224 6.300 1.533 1.00 0.00 C ATOM 869 CG ASN A 57 10.612 6.293 0.922 1.00 0.00 C ATOM 870 OD1 ASN A 57 10.821 5.756 -0.165 1.00 0.00 O ATOM 871 ND2 ASN A 57 11.569 6.892 1.621 1.00 0.00 N ATOM 0 H ASN A 57 7.987 5.168 -0.274 1.00 0.00 H new ATOM 0 HA ASN A 57 9.464 4.198 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.557 6.891 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.261 6.788 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.523 6.919 1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.350 7.325 2.518 1.00 0.00 H new ATOM 878 N PHE A 58 6.379 4.970 2.540 1.00 0.00 N ATOM 879 CA PHE A 58 5.335 4.957 3.558 1.00 0.00 C ATOM 880 C PHE A 58 5.066 3.535 4.041 1.00 0.00 C ATOM 881 O PHE A 58 4.727 3.316 5.205 1.00 0.00 O ATOM 882 CB PHE A 58 4.048 5.573 3.007 1.00 0.00 C ATOM 883 CG PHE A 58 4.026 7.073 3.073 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.107 7.815 2.624 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.925 7.742 3.582 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.089 9.196 2.684 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.901 9.122 3.644 1.00 0.00 C ATOM 888 CZ PHE A 58 3.985 9.850 3.194 1.00 0.00 C ATOM 0 H PHE A 58 6.035 5.069 1.585 1.00 0.00 H new ATOM 0 HA PHE A 58 5.679 5.551 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.920 5.261 1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.198 5.180 3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.973 7.309 2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.074 7.178 3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.938 9.763 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.036 9.631 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.969 10.929 3.241 1.00 0.00 H new ATOM 898 N VAL A 59 5.217 2.570 3.139 1.00 0.00 N ATOM 899 CA VAL A 59 4.991 1.169 3.472 1.00 0.00 C ATOM 900 C VAL A 59 6.310 0.424 3.638 1.00 0.00 C ATOM 901 O VAL A 59 7.374 0.944 3.304 1.00 0.00 O ATOM 902 CB VAL A 59 4.149 0.465 2.392 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.805 1.157 2.226 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.903 0.424 1.071 1.00 0.00 C ATOM 0 H VAL A 59 5.495 2.733 2.171 1.00 0.00 H new ATOM 0 HA VAL A 59 4.446 1.152 4.416 1.00 0.00 H new ATOM 0 HB VAL A 59 3.965 -0.561 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.224 0.645 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.262 1.129 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.964 2.194 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.293 -0.077 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.119 1.441 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.838 -0.121 1.202 1.00 0.00 H new ATOM 914 N GLN A 60 6.232 -0.797 4.157 1.00 0.00 N ATOM 915 CA GLN A 60 7.421 -1.615 4.368 1.00 0.00 C ATOM 916 C GLN A 60 7.149 -3.073 4.016 1.00 0.00 C ATOM 917 O GLN A 60 6.260 -3.704 4.587 1.00 0.00 O ATOM 918 CB GLN A 60 7.888 -1.507 5.821 1.00 0.00 C ATOM 919 CG GLN A 60 9.137 -2.321 6.120 1.00 0.00 C ATOM 920 CD GLN A 60 9.494 -2.322 7.594 1.00 0.00 C ATOM 921 OE1 GLN A 60 8.650 -2.592 8.449 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.750 -2.019 7.899 1.00 0.00 N ATOM 0 H GLN A 60 5.358 -1.242 4.439 1.00 0.00 H new ATOM 0 HA GLN A 60 8.208 -1.243 3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.082 -0.460 6.055 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.083 -1.837 6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.986 -3.347 5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.973 -1.920 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.417 -1.802 7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.048 -2.004 8.874 1.00 0.00 H new ATOM 931 N ARG A 61 7.920 -3.602 3.071 1.00 0.00 N ATOM 932 CA ARG A 61 7.760 -4.986 2.642 1.00 0.00 C ATOM 933 C ARG A 61 7.590 -5.912 3.842 1.00 0.00 C ATOM 934 O ARG A 61 8.295 -5.784 4.844 1.00 0.00 O ATOM 935 CB ARG A 61 8.967 -5.427 1.811 1.00 0.00 C ATOM 936 CG ARG A 61 8.641 -6.499 0.784 1.00 0.00 C ATOM 937 CD ARG A 61 9.851 -7.371 0.485 1.00 0.00 C ATOM 938 NE ARG A 61 9.797 -7.940 -0.859 1.00 0.00 N ATOM 939 CZ ARG A 61 10.818 -8.565 -1.433 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.966 -8.701 -0.784 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.692 -9.056 -2.660 1.00 0.00 N ATOM 0 H ARG A 61 8.661 -3.093 2.588 1.00 0.00 H new ATOM 0 HA ARG A 61 6.862 -5.048 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.381 -4.559 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.741 -5.801 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.825 -7.121 1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.293 -6.029 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.760 -6.779 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.907 -8.176 1.218 1.00 0.00 H new ATOM 0 HE ARG A 61 8.928 -7.852 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.066 -8.325 0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.749 -9.182 -1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.810 -8.953 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.477 -9.536 -3.100 1.00 0.00 H new ATOM 955 N LEU A 62 6.650 -6.845 3.735 1.00 0.00 N ATOM 956 CA LEU A 62 6.386 -7.792 4.812 1.00 0.00 C ATOM 957 C LEU A 62 7.009 -9.151 4.507 1.00 0.00 C ATOM 958 O LEU A 62 6.409 -10.193 4.769 1.00 0.00 O ATOM 959 CB LEU A 62 4.879 -7.946 5.025 1.00 0.00 C ATOM 960 CG LEU A 62 4.224 -6.924 5.955 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.709 -7.007 5.858 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.681 -7.141 7.391 1.00 0.00 C ATOM 0 H LEU A 62 6.058 -6.966 2.913 1.00 0.00 H new ATOM 0 HA LEU A 62 6.838 -7.402 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.388 -7.891 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.689 -8.943 5.422 1.00 0.00 H new ATOM 0 HG LEU A 62 4.533 -5.927 5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.261 -6.272 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.398 -6.802 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.380 -8.006 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.205 -6.405 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.402 -8.144 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.764 -7.030 7.449 1.00 0.00 H new