USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 171:sc= -0.562 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.27 USER MOD Set 3.1: A 13 GLN : amide:sc= -0.0125 K(o=-5,f=-4.5) USER MOD Set 3.2: A 14 HIS : no HD1:sc= -4.99! K(o=-5!,f=-2.1) USER MOD Set 4.1: A 9 THR OG1 : rot 24:sc= -0.298! USER MOD Set 4.2: A 87 ASN : amide:sc= -4.24! C(o=-4.5!,f=-11!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 32:sc= -2.04! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -109:sc= -1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 48 CYS SG : rot 170:sc= -1.79! USER MOD Single : A 52 SER OG : rot 130:sc= -0.298 USER MOD Single : A 59 ASN : amide:sc= -0.733 K(o=-0.73,f=-14!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot -72:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -51:sc= 1.13 USER MOD Single : A 92 SER OG : rot -150:sc= -0.217 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 99 GLN : amide:sc=-0.00823 X(o=-0.0082,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 0.055 10.611 1.245 1.00 0.00 N ATOM 81 CA THR A 9 -1.253 10.064 0.926 1.00 0.00 C ATOM 82 C THR A 9 -1.702 9.087 2.015 1.00 0.00 C ATOM 83 O THR A 9 -0.873 8.499 2.707 1.00 0.00 O ATOM 84 CB THR A 9 -1.175 9.430 -0.464 1.00 0.00 C ATOM 85 OG1 THR A 9 0.079 8.753 -0.467 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.038 10.472 -1.576 1.00 0.00 C ATOM 0 HA THR A 9 -2.013 10.845 0.900 1.00 0.00 H new ATOM 0 HB THR A 9 -2.067 8.828 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.346 8.554 0.455 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.987 9.969 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.901 11.138 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.129 11.052 -1.421 1.00 0.00 H new ATOM 94 N SER A 10 -3.014 8.945 2.133 1.00 0.00 N ATOM 95 CA SER A 10 -3.584 8.050 3.126 1.00 0.00 C ATOM 96 C SER A 10 -3.057 6.629 2.913 1.00 0.00 C ATOM 97 O SER A 10 -2.969 6.159 1.779 1.00 0.00 O ATOM 98 CB SER A 10 -5.112 8.063 3.067 1.00 0.00 C ATOM 99 OG SER A 10 -5.694 8.249 4.355 1.00 0.00 O ATOM 0 H SER A 10 -3.699 9.435 1.557 1.00 0.00 H new ATOM 0 HA SER A 10 -3.283 8.399 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.442 8.860 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.466 7.124 2.641 1.00 0.00 H new ATOM 0 HG SER A 10 -6.671 8.253 4.275 1.00 0.00 H new ATOM 105 N ALA A 11 -2.720 5.985 4.021 1.00 0.00 N ATOM 106 CA ALA A 11 -2.204 4.627 3.969 1.00 0.00 C ATOM 107 C ALA A 11 -3.147 3.759 3.134 1.00 0.00 C ATOM 108 O ALA A 11 -4.326 4.078 2.990 1.00 0.00 O ATOM 109 CB ALA A 11 -2.029 4.094 5.393 1.00 0.00 C ATOM 0 H ALA A 11 -2.794 6.378 4.959 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.226 4.606 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.642 3.076 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.328 4.729 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.992 4.098 5.904 1.00 0.00 H new ATOM 115 N PRO A 12 -2.577 2.651 2.590 1.00 0.00 N ATOM 116 CA PRO A 12 -3.354 1.734 1.772 1.00 0.00 C ATOM 117 C PRO A 12 -4.279 0.877 2.638 1.00 0.00 C ATOM 118 O PRO A 12 -3.981 0.617 3.803 1.00 0.00 O ATOM 119 CB PRO A 12 -2.323 0.915 1.013 1.00 0.00 C ATOM 120 CG PRO A 12 -1.017 1.081 1.772 1.00 0.00 C ATOM 121 CD PRO A 12 -1.183 2.242 2.739 1.00 0.00 C ATOM 0 HA PRO A 12 -4.022 2.248 1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.616 -0.134 0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.225 1.266 -0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.771 0.167 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.196 1.274 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.967 1.938 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.503 3.059 2.498 1.00 0.00 H new ATOM 129 N GLN A 13 -5.383 0.461 2.035 1.00 0.00 N ATOM 130 CA GLN A 13 -6.354 -0.362 2.736 1.00 0.00 C ATOM 131 C GLN A 13 -6.940 -1.413 1.792 1.00 0.00 C ATOM 132 O GLN A 13 -6.915 -1.241 0.574 1.00 0.00 O ATOM 133 CB GLN A 13 -7.459 0.498 3.352 1.00 0.00 C ATOM 134 CG GLN A 13 -7.628 1.809 2.581 1.00 0.00 C ATOM 135 CD GLN A 13 -8.871 2.565 3.052 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.773 2.012 3.659 1.00 0.00 O ATOM 137 NE2 GLN A 13 -8.869 3.858 2.739 1.00 0.00 N ATOM 0 H GLN A 13 -5.627 0.678 1.069 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.844 -0.877 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.399 -0.054 3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.220 0.713 4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.745 2.433 2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.707 1.600 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.081 4.258 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.655 4.449 3.009 1.00 0.00 H new ATOM 146 N HIS A 14 -7.452 -2.479 2.388 1.00 0.00 N ATOM 147 CA HIS A 14 -8.043 -3.558 1.615 1.00 0.00 C ATOM 148 C HIS A 14 -6.935 -4.407 0.988 1.00 0.00 C ATOM 149 O HIS A 14 -7.109 -4.954 -0.100 1.00 0.00 O ATOM 150 CB HIS A 14 -9.028 -3.009 0.581 1.00 0.00 C ATOM 151 CG HIS A 14 -9.990 -1.985 1.132 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.290 -2.295 1.492 1.00 0.00 N ATOM 153 CD2 HIS A 14 -9.829 -0.654 1.382 1.00 0.00 C ATOM 154 CE1 HIS A 14 -11.876 -1.193 1.936 1.00 0.00 C ATOM 155 NE2 HIS A 14 -10.969 -0.177 1.866 1.00 0.00 N ATOM 0 H HIS A 14 -7.470 -2.619 3.398 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.621 -4.207 2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.466 -2.561 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.597 -3.838 0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.927 -0.085 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.893 -1.113 2.291 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.139 0.791 2.141 1.00 0.00 H new ATOM 163 N LEU A 15 -5.822 -4.489 1.701 1.00 0.00 N ATOM 164 CA LEU A 15 -4.686 -5.261 1.227 1.00 0.00 C ATOM 165 C LEU A 15 -4.822 -6.708 1.707 1.00 0.00 C ATOM 166 O LEU A 15 -4.714 -6.982 2.901 1.00 0.00 O ATOM 167 CB LEU A 15 -3.373 -4.596 1.647 1.00 0.00 C ATOM 168 CG LEU A 15 -2.092 -5.343 1.270 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.748 -5.133 -0.205 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.936 -4.947 2.191 1.00 0.00 C ATOM 0 H LEU A 15 -5.682 -4.034 2.603 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.671 -5.285 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.334 -3.601 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.387 -4.462 2.729 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.265 -6.410 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.833 -5.675 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.564 -5.504 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.601 -4.070 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.037 -5.492 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.754 -3.876 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.192 -5.191 3.222 1.00 0.00 H new ATOM 182 N THR A 16 -5.058 -7.595 0.751 1.00 0.00 N ATOM 183 CA THR A 16 -5.211 -9.006 1.061 1.00 0.00 C ATOM 184 C THR A 16 -4.475 -9.861 0.028 1.00 0.00 C ATOM 185 O THR A 16 -4.018 -9.351 -0.994 1.00 0.00 O ATOM 186 CB THR A 16 -6.707 -9.311 1.148 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.286 -8.511 0.121 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.340 -8.779 2.436 1.00 0.00 C ATOM 0 H THR A 16 -5.147 -7.364 -0.238 1.00 0.00 H new ATOM 0 HA THR A 16 -4.759 -9.252 2.022 1.00 0.00 H new ATOM 0 HB THR A 16 -6.861 -10.388 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.256 -8.649 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.402 -9.022 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.854 -9.238 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.215 -7.697 2.483 1.00 0.00 H new ATOM 196 N VAL A 17 -4.384 -11.148 0.329 1.00 0.00 N ATOM 197 CA VAL A 17 -3.711 -12.079 -0.561 1.00 0.00 C ATOM 198 C VAL A 17 -4.743 -12.730 -1.485 1.00 0.00 C ATOM 199 O VAL A 17 -5.566 -13.527 -1.038 1.00 0.00 O ATOM 200 CB VAL A 17 -2.912 -13.098 0.255 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.421 -14.245 -0.631 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.745 -12.426 0.979 1.00 0.00 C ATOM 0 H VAL A 17 -4.765 -11.568 1.177 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.994 -11.554 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.576 -13.519 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.856 -14.955 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.276 -14.750 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.780 -13.848 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.194 -13.172 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.080 -11.965 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.128 -11.661 1.654 1.00 0.00 H new ATOM 212 N GLU A 18 -4.664 -12.366 -2.756 1.00 0.00 N ATOM 213 CA GLU A 18 -5.581 -12.904 -3.747 1.00 0.00 C ATOM 214 C GLU A 18 -5.210 -14.350 -4.082 1.00 0.00 C ATOM 215 O GLU A 18 -6.081 -15.216 -4.160 1.00 0.00 O ATOM 216 CB GLU A 18 -5.598 -12.036 -5.007 1.00 0.00 C ATOM 217 CG GLU A 18 -6.402 -10.755 -4.778 1.00 0.00 C ATOM 218 CD GLU A 18 -7.842 -11.076 -4.373 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.545 -11.683 -5.209 1.00 0.00 O ATOM 220 OE2 GLU A 18 -8.207 -10.707 -3.236 1.00 0.00 O ATOM 0 H GLU A 18 -3.979 -11.705 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.587 -12.895 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.577 -11.783 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.030 -12.598 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.927 -10.157 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.402 -10.154 -5.687 1.00 0.00 H new ATOM 227 N ASP A 19 -3.917 -14.568 -4.272 1.00 0.00 N ATOM 228 CA ASP A 19 -3.420 -15.894 -4.597 1.00 0.00 C ATOM 229 C ASP A 19 -1.968 -16.018 -4.133 1.00 0.00 C ATOM 230 O ASP A 19 -1.288 -15.012 -3.935 1.00 0.00 O ATOM 231 CB ASP A 19 -3.458 -16.141 -6.106 1.00 0.00 C ATOM 232 CG ASP A 19 -3.325 -17.607 -6.525 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.374 -18.286 -6.555 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.177 -18.015 -6.806 1.00 0.00 O ATOM 0 H ASP A 19 -3.198 -13.848 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.055 -16.625 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.396 -15.750 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.655 -15.571 -6.573 1.00 0.00 H new ATOM 239 N VAL A 20 -1.535 -17.260 -3.974 1.00 0.00 N ATOM 240 CA VAL A 20 -0.175 -17.528 -3.538 1.00 0.00 C ATOM 241 C VAL A 20 0.405 -18.676 -4.367 1.00 0.00 C ATOM 242 O VAL A 20 -0.234 -19.714 -4.529 1.00 0.00 O ATOM 243 CB VAL A 20 -0.154 -17.808 -2.033 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.275 -18.045 -1.540 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.821 -16.672 -1.255 1.00 0.00 C ATOM 0 H VAL A 20 -2.102 -18.092 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 20 0.458 -16.656 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.726 -18.718 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.262 -18.242 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.702 -18.902 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.880 -17.161 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.793 -16.896 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.289 -15.740 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.857 -16.570 -1.577 1.00 0.00 H new ATOM 255 N THR A 21 1.610 -18.450 -4.870 1.00 0.00 N ATOM 256 CA THR A 21 2.283 -19.452 -5.678 1.00 0.00 C ATOM 257 C THR A 21 3.368 -20.156 -4.860 1.00 0.00 C ATOM 258 O THR A 21 3.318 -20.161 -3.631 1.00 0.00 O ATOM 259 CB THR A 21 2.821 -18.763 -6.934 1.00 0.00 C ATOM 260 OG1 THR A 21 2.172 -17.494 -6.938 1.00 0.00 O ATOM 261 CG2 THR A 21 2.337 -19.433 -8.222 1.00 0.00 C ATOM 0 H THR A 21 2.137 -17.588 -4.733 1.00 0.00 H new ATOM 0 HA THR A 21 1.594 -20.237 -5.990 1.00 0.00 H new ATOM 0 HB THR A 21 3.911 -18.765 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.568 -16.926 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.747 -18.905 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.670 -20.471 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.248 -19.401 -8.262 1.00 0.00 H new ATOM 269 N ASP A 22 4.322 -20.733 -5.576 1.00 0.00 N ATOM 270 CA ASP A 22 5.417 -21.438 -4.932 1.00 0.00 C ATOM 271 C ASP A 22 6.548 -20.452 -4.632 1.00 0.00 C ATOM 272 O ASP A 22 7.122 -20.471 -3.544 1.00 0.00 O ATOM 273 CB ASP A 22 5.976 -22.536 -5.840 1.00 0.00 C ATOM 274 CG ASP A 22 4.944 -23.551 -6.336 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.228 -23.207 -7.301 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.895 -24.648 -5.740 1.00 0.00 O ATOM 0 H ASP A 22 4.359 -20.727 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 22 5.035 -21.887 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.447 -22.067 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.758 -23.070 -5.301 1.00 0.00 H new ATOM 281 N THR A 23 6.834 -19.613 -5.617 1.00 0.00 N ATOM 282 CA THR A 23 7.886 -18.621 -5.473 1.00 0.00 C ATOM 283 C THR A 23 7.349 -17.224 -5.792 1.00 0.00 C ATOM 284 O THR A 23 8.122 -16.282 -5.962 1.00 0.00 O ATOM 285 CB THR A 23 9.057 -19.040 -6.364 1.00 0.00 C ATOM 286 OG1 THR A 23 8.448 -19.348 -7.615 1.00 0.00 O ATOM 287 CG2 THR A 23 9.687 -20.362 -5.920 1.00 0.00 C ATOM 0 H THR A 23 6.356 -19.600 -6.518 1.00 0.00 H new ATOM 0 HA THR A 23 8.244 -18.571 -4.445 1.00 0.00 H new ATOM 0 HB THR A 23 9.815 -18.257 -6.359 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.136 -19.628 -8.254 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.513 -20.613 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.060 -20.263 -4.901 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.938 -21.153 -5.957 1.00 0.00 H new ATOM 295 N THR A 24 6.029 -17.134 -5.863 1.00 0.00 N ATOM 296 CA THR A 24 5.380 -15.869 -6.159 1.00 0.00 C ATOM 297 C THR A 24 4.070 -15.746 -5.378 1.00 0.00 C ATOM 298 O THR A 24 3.536 -16.743 -4.893 1.00 0.00 O ATOM 299 CB THR A 24 5.195 -15.775 -7.674 1.00 0.00 C ATOM 300 OG1 THR A 24 4.868 -17.105 -8.067 1.00 0.00 O ATOM 301 CG2 THR A 24 6.505 -15.481 -8.408 1.00 0.00 C ATOM 0 H THR A 24 5.391 -17.917 -5.720 1.00 0.00 H new ATOM 0 HA THR A 24 5.993 -15.026 -5.839 1.00 0.00 H new ATOM 0 HB THR A 24 4.469 -14.995 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.729 -17.135 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.317 -15.425 -9.480 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.911 -14.531 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.221 -16.277 -8.207 1.00 0.00 H new ATOM 309 N THR A 25 3.590 -14.515 -5.279 1.00 0.00 N ATOM 310 CA THR A 25 2.353 -14.249 -4.566 1.00 0.00 C ATOM 311 C THR A 25 1.648 -13.026 -5.156 1.00 0.00 C ATOM 312 O THR A 25 2.284 -12.186 -5.792 1.00 0.00 O ATOM 313 CB THR A 25 2.687 -14.099 -3.080 1.00 0.00 C ATOM 314 OG1 THR A 25 2.434 -15.391 -2.535 1.00 0.00 O ATOM 315 CG2 THR A 25 1.701 -13.187 -2.347 1.00 0.00 C ATOM 0 H THR A 25 4.036 -13.691 -5.681 1.00 0.00 H new ATOM 0 HA THR A 25 1.649 -15.074 -4.675 1.00 0.00 H new ATOM 0 HB THR A 25 3.697 -13.702 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.624 -16.074 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.984 -13.115 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.720 -12.194 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.696 -13.601 -2.425 1.00 0.00 H new ATOM 323 N THR A 26 0.345 -12.964 -4.925 1.00 0.00 N ATOM 324 CA THR A 26 -0.452 -11.858 -5.427 1.00 0.00 C ATOM 325 C THR A 26 -0.965 -11.002 -4.267 1.00 0.00 C ATOM 326 O THR A 26 -1.162 -11.502 -3.161 1.00 0.00 O ATOM 327 CB THR A 26 -1.571 -12.437 -6.296 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.887 -12.997 -7.413 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.458 -11.351 -6.907 1.00 0.00 C ATOM 0 H THR A 26 -0.179 -13.662 -4.397 1.00 0.00 H new ATOM 0 HA THR A 26 0.146 -11.188 -6.045 1.00 0.00 H new ATOM 0 HB THR A 26 -2.184 -13.112 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.537 -13.396 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.235 -11.815 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.919 -10.767 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.852 -10.696 -7.533 1.00 0.00 H new ATOM 337 N LEU A 27 -1.166 -9.725 -4.560 1.00 0.00 N ATOM 338 CA LEU A 27 -1.652 -8.795 -3.555 1.00 0.00 C ATOM 339 C LEU A 27 -2.624 -7.809 -4.208 1.00 0.00 C ATOM 340 O LEU A 27 -2.389 -7.347 -5.324 1.00 0.00 O ATOM 341 CB LEU A 27 -0.481 -8.121 -2.838 1.00 0.00 C ATOM 342 CG LEU A 27 0.463 -9.052 -2.075 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.806 -8.369 -1.805 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.190 -9.561 -0.788 1.00 0.00 C ATOM 0 H LEU A 27 -1.001 -9.313 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.206 -9.325 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.102 -7.570 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.883 -7.389 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 27 0.664 -9.922 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.459 -9.052 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.273 -8.097 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.644 -7.471 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.502 -10.221 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.439 -8.715 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.099 -10.110 -1.034 1.00 0.00 H new ATOM 356 N LYS A 28 -3.693 -7.515 -3.483 1.00 0.00 N ATOM 357 CA LYS A 28 -4.701 -6.592 -3.977 1.00 0.00 C ATOM 358 C LYS A 28 -5.095 -5.626 -2.858 1.00 0.00 C ATOM 359 O LYS A 28 -5.627 -6.044 -1.831 1.00 0.00 O ATOM 360 CB LYS A 28 -5.884 -7.358 -4.572 1.00 0.00 C ATOM 361 CG LYS A 28 -6.419 -6.657 -5.823 1.00 0.00 C ATOM 362 CD LYS A 28 -7.670 -7.361 -6.353 1.00 0.00 C ATOM 363 CE LYS A 28 -8.283 -6.583 -7.520 1.00 0.00 C ATOM 364 NZ LYS A 28 -7.733 -7.063 -8.808 1.00 0.00 N ATOM 0 H LYS A 28 -3.883 -7.899 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.298 -5.990 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.575 -8.373 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.678 -7.441 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.653 -5.618 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.649 -6.645 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.414 -8.370 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.403 -7.460 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.367 -6.701 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.077 -5.519 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.159 -6.525 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.702 -6.928 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.951 -8.073 -8.924 1.00 0.00 H new ATOM 378 N TRP A 29 -4.817 -4.352 -3.094 1.00 0.00 N ATOM 379 CA TRP A 29 -5.136 -3.324 -2.118 1.00 0.00 C ATOM 380 C TRP A 29 -6.045 -2.295 -2.795 1.00 0.00 C ATOM 381 O TRP A 29 -6.306 -2.386 -3.993 1.00 0.00 O ATOM 382 CB TRP A 29 -3.863 -2.706 -1.538 1.00 0.00 C ATOM 383 CG TRP A 29 -3.078 -1.847 -2.532 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.388 -0.626 -2.991 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.834 -2.195 -3.174 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.438 -0.165 -3.879 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.463 -1.149 -3.994 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.048 -3.356 -3.066 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.297 -1.159 -4.769 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.114 -3.350 -3.847 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.502 -2.305 -4.678 1.00 0.00 C ATOM 0 H TRP A 29 -4.375 -4.009 -3.946 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.667 -3.751 -1.267 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.129 -2.094 -0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.217 -3.505 -1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.270 -0.073 -2.702 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.449 0.733 -4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.319 -4.186 -2.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.028 -0.327 -5.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.754 -4.219 -3.801 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.415 -2.377 -5.250 1.00 0.00 H new ATOM 402 N ARG A 30 -6.502 -1.341 -1.997 1.00 0.00 N ATOM 403 CA ARG A 30 -7.376 -0.297 -2.504 1.00 0.00 C ATOM 404 C ARG A 30 -6.717 1.074 -2.338 1.00 0.00 C ATOM 405 O ARG A 30 -5.813 1.237 -1.520 1.00 0.00 O ATOM 406 CB ARG A 30 -8.720 -0.301 -1.773 1.00 0.00 C ATOM 407 CG ARG A 30 -9.654 -1.366 -2.349 1.00 0.00 C ATOM 408 CD ARG A 30 -10.955 -0.739 -2.854 1.00 0.00 C ATOM 409 NE ARG A 30 -10.781 -0.263 -4.245 1.00 0.00 N ATOM 410 CZ ARG A 30 -11.674 0.494 -4.897 1.00 0.00 C ATOM 411 NH1 ARG A 30 -12.809 0.865 -4.289 1.00 0.00 N ATOM 412 NH2 ARG A 30 -11.432 0.879 -6.158 1.00 0.00 N ATOM 0 H ARG A 30 -6.283 -1.269 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.550 -0.495 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.560 -0.488 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.186 0.681 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.156 -1.888 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.878 -2.111 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.762 -1.470 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.242 0.092 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.928 -0.528 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.993 0.571 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.489 1.441 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.568 0.596 -6.621 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.112 1.455 -6.655 1.00 0.00 H new ATOM 426 N PRO A 31 -7.207 2.049 -3.149 1.00 0.00 N ATOM 427 CA PRO A 31 -6.676 3.401 -3.100 1.00 0.00 C ATOM 428 C PRO A 31 -7.169 4.139 -1.855 1.00 0.00 C ATOM 429 O PRO A 31 -8.188 3.770 -1.272 1.00 0.00 O ATOM 430 CB PRO A 31 -7.132 4.050 -4.396 1.00 0.00 C ATOM 431 CG PRO A 31 -8.285 3.200 -4.905 1.00 0.00 C ATOM 432 CD PRO A 31 -8.277 1.892 -4.130 1.00 0.00 C ATOM 0 HA PRO A 31 -5.589 3.423 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.450 5.079 -4.227 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.320 4.083 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.233 3.720 -4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.178 3.012 -5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.236 1.714 -3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.090 1.043 -4.788 1.00 0.00 H new ATOM 440 N PRO A 32 -6.405 5.198 -1.473 1.00 0.00 N ATOM 441 CA PRO A 32 -6.755 5.992 -0.308 1.00 0.00 C ATOM 442 C PRO A 32 -7.940 6.911 -0.606 1.00 0.00 C ATOM 443 O PRO A 32 -8.421 6.963 -1.737 1.00 0.00 O ATOM 444 CB PRO A 32 -5.487 6.753 0.044 1.00 0.00 C ATOM 445 CG PRO A 32 -4.618 6.715 -1.202 1.00 0.00 C ATOM 446 CD PRO A 32 -5.193 5.665 -2.139 1.00 0.00 C ATOM 0 HA PRO A 32 -7.085 5.382 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.715 7.780 0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.977 6.292 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.602 7.691 -1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.588 6.472 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.417 6.088 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.489 4.848 -2.298 1.00 0.00 H new ATOM 454 N ASP A 33 -8.378 7.615 0.428 1.00 0.00 N ATOM 455 CA ASP A 33 -9.498 8.529 0.291 1.00 0.00 C ATOM 456 C ASP A 33 -8.976 9.968 0.266 1.00 0.00 C ATOM 457 O ASP A 33 -9.560 10.832 -0.386 1.00 0.00 O ATOM 458 CB ASP A 33 -10.464 8.398 1.470 1.00 0.00 C ATOM 459 CG ASP A 33 -11.500 9.517 1.585 1.00 0.00 C ATOM 460 OD1 ASP A 33 -11.094 10.627 1.994 1.00 0.00 O ATOM 461 OD2 ASP A 33 -12.675 9.239 1.262 1.00 0.00 O ATOM 0 H ASP A 33 -7.977 7.570 1.365 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.022 8.284 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.988 7.446 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.885 8.364 2.393 1.00 0.00 H new ATOM 466 N ARG A 34 -7.883 10.179 0.983 1.00 0.00 N ATOM 467 CA ARG A 34 -7.276 11.498 1.051 1.00 0.00 C ATOM 468 C ARG A 34 -6.001 11.540 0.207 1.00 0.00 C ATOM 469 O ARG A 34 -4.897 11.590 0.745 1.00 0.00 O ATOM 470 CB ARG A 34 -6.936 11.874 2.495 1.00 0.00 C ATOM 471 CG ARG A 34 -7.901 12.935 3.027 1.00 0.00 C ATOM 472 CD ARG A 34 -8.837 12.344 4.084 1.00 0.00 C ATOM 473 NE ARG A 34 -8.492 12.877 5.420 1.00 0.00 N ATOM 474 CZ ARG A 34 -8.838 14.096 5.856 1.00 0.00 C ATOM 475 NH1 ARG A 34 -9.541 14.916 5.062 1.00 0.00 N ATOM 476 NH2 ARG A 34 -8.481 14.495 7.084 1.00 0.00 N ATOM 0 H ARG A 34 -7.401 9.459 1.522 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.998 12.215 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.982 10.986 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.914 12.249 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.336 13.762 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.488 13.344 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.872 12.587 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.757 11.257 4.085 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.957 12.279 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.812 14.612 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.805 15.844 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.946 13.871 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.745 15.423 7.415 1.00 0.00 H new ATOM 559 N ASP A 41 2.066 8.755 -6.321 1.00 0.00 N ATOM 560 CA ASP A 41 3.028 8.285 -7.304 1.00 0.00 C ATOM 561 C ASP A 41 2.870 6.774 -7.484 1.00 0.00 C ATOM 562 O ASP A 41 3.093 6.248 -8.573 1.00 0.00 O ATOM 563 CB ASP A 41 4.462 8.560 -6.846 1.00 0.00 C ATOM 564 CG ASP A 41 5.254 9.516 -7.740 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.650 10.522 -8.171 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.446 9.219 -7.973 1.00 0.00 O ATOM 0 HA ASP A 41 2.841 8.813 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.433 8.971 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.997 7.612 -6.789 1.00 0.00 H new ATOM 571 N GLY A 42 2.487 6.118 -6.398 1.00 0.00 N ATOM 572 CA GLY A 42 2.296 4.678 -6.423 1.00 0.00 C ATOM 573 C GLY A 42 2.415 4.085 -5.017 1.00 0.00 C ATOM 574 O GLY A 42 2.224 4.787 -4.025 1.00 0.00 O ATOM 0 H GLY A 42 2.304 6.557 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.316 4.445 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.037 4.220 -7.079 1.00 0.00 H new ATOM 578 N TYR A 43 2.731 2.799 -4.976 1.00 0.00 N ATOM 579 CA TYR A 43 2.878 2.104 -3.709 1.00 0.00 C ATOM 580 C TYR A 43 4.129 1.224 -3.708 1.00 0.00 C ATOM 581 O TYR A 43 4.442 0.582 -4.709 1.00 0.00 O ATOM 582 CB TYR A 43 1.642 1.213 -3.571 1.00 0.00 C ATOM 583 CG TYR A 43 0.433 1.917 -2.951 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.388 2.141 -1.590 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.612 2.327 -3.753 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.750 2.803 -1.007 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.750 2.990 -3.170 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.763 3.195 -1.826 1.00 0.00 C ATOM 589 OH TYR A 43 -2.838 3.821 -1.275 1.00 0.00 O ATOM 0 H TYR A 43 2.889 2.220 -5.801 1.00 0.00 H new ATOM 0 HA TYR A 43 2.974 2.816 -2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.365 0.838 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.898 0.347 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.206 1.820 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.577 2.151 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.798 2.984 0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.574 3.317 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.614 3.223 -1.301 1.00 0.00 H new ATOM 599 N LEU A 44 4.812 1.222 -2.572 1.00 0.00 N ATOM 600 CA LEU A 44 6.022 0.432 -2.427 1.00 0.00 C ATOM 601 C LEU A 44 5.699 -0.853 -1.661 1.00 0.00 C ATOM 602 O LEU A 44 5.178 -0.801 -0.548 1.00 0.00 O ATOM 603 CB LEU A 44 7.134 1.266 -1.788 1.00 0.00 C ATOM 604 CG LEU A 44 8.133 1.905 -2.754 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.195 2.704 -1.995 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.757 0.853 -3.673 1.00 0.00 C ATOM 0 H LEU A 44 4.550 1.756 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 44 6.401 0.134 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.673 2.058 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.685 0.630 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 44 7.593 2.608 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.893 3.148 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.713 3.493 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.737 2.041 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.463 1.334 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.280 0.109 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.973 0.366 -4.253 1.00 0.00 H new ATOM 618 N VAL A 45 6.021 -1.975 -2.288 1.00 0.00 N ATOM 619 CA VAL A 45 5.771 -3.270 -1.679 1.00 0.00 C ATOM 620 C VAL A 45 7.072 -3.804 -1.075 1.00 0.00 C ATOM 621 O VAL A 45 8.110 -3.810 -1.735 1.00 0.00 O ATOM 622 CB VAL A 45 5.155 -4.221 -2.707 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.738 -5.540 -2.053 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.971 -3.565 -3.420 1.00 0.00 C ATOM 0 H VAL A 45 6.453 -2.014 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 45 5.049 -3.178 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 45 5.916 -4.444 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.303 -6.198 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.612 -6.020 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.001 -5.343 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.551 -4.262 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.208 -3.299 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.309 -2.666 -3.935 1.00 0.00 H new ATOM 634 N GLU A 46 6.972 -4.239 0.172 1.00 0.00 N ATOM 635 CA GLU A 46 8.128 -4.774 0.872 1.00 0.00 C ATOM 636 C GLU A 46 7.712 -5.945 1.765 1.00 0.00 C ATOM 637 O GLU A 46 6.655 -5.907 2.392 1.00 0.00 O ATOM 638 CB GLU A 46 8.828 -3.685 1.687 1.00 0.00 C ATOM 639 CG GLU A 46 9.160 -2.474 0.812 1.00 0.00 C ATOM 640 CD GLU A 46 10.400 -1.744 1.334 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.247 -2.431 1.945 1.00 0.00 O ATOM 642 OE2 GLU A 46 10.472 -0.517 1.109 1.00 0.00 O ATOM 0 H GLU A 46 6.109 -4.232 0.716 1.00 0.00 H new ATOM 0 HA GLU A 46 8.839 -5.141 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.188 -3.376 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.743 -4.084 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.330 -2.798 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.311 -1.790 0.794 1.00 0.00 H new ATOM 649 N TYR A 47 8.567 -6.957 1.795 1.00 0.00 N ATOM 650 CA TYR A 47 8.301 -8.137 2.601 1.00 0.00 C ATOM 651 C TYR A 47 9.432 -8.383 3.601 1.00 0.00 C ATOM 652 O TYR A 47 10.592 -8.085 3.319 1.00 0.00 O ATOM 653 CB TYR A 47 8.239 -9.311 1.622 1.00 0.00 C ATOM 654 CG TYR A 47 9.546 -9.563 0.868 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.848 -8.822 -0.256 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.422 -10.532 1.312 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.079 -9.060 -0.966 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.653 -10.770 0.603 1.00 0.00 C ATOM 659 CZ TYR A 47 11.920 -10.022 -0.501 1.00 0.00 C ATOM 660 OH TYR A 47 13.082 -10.246 -1.171 1.00 0.00 O ATOM 0 H TYR A 47 9.444 -6.984 1.275 1.00 0.00 H new ATOM 0 HA TYR A 47 7.378 -8.015 3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.968 -10.213 2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.444 -9.126 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.162 -8.064 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.185 -11.112 2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.328 -8.487 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.348 -11.525 0.940 1.00 0.00 H new ATOM 0 HH TYR A 47 13.584 -10.960 -0.725 1.00 0.00 H new ATOM 670 N CYS A 48 9.055 -8.924 4.750 1.00 0.00 N ATOM 671 CA CYS A 48 10.024 -9.214 5.795 1.00 0.00 C ATOM 672 C CYS A 48 9.929 -10.702 6.138 1.00 0.00 C ATOM 673 O CYS A 48 8.899 -11.166 6.624 1.00 0.00 O ATOM 674 CB CYS A 48 9.810 -8.329 7.025 1.00 0.00 C ATOM 675 SG CYS A 48 10.800 -8.961 8.429 1.00 0.00 S ATOM 0 H CYS A 48 8.092 -9.169 4.981 1.00 0.00 H new ATOM 0 HA CYS A 48 11.029 -8.989 5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.098 -7.302 6.799 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.753 -8.313 7.292 1.00 0.00 H new ATOM 0 HG CYS A 48 10.783 -8.094 9.397 1.00 0.00 H new ATOM 681 N LEU A 49 11.018 -11.408 5.872 1.00 0.00 N ATOM 682 CA LEU A 49 11.071 -12.834 6.147 1.00 0.00 C ATOM 683 C LEU A 49 10.959 -13.062 7.655 1.00 0.00 C ATOM 684 O LEU A 49 11.564 -12.337 8.443 1.00 0.00 O ATOM 685 CB LEU A 49 12.323 -13.454 5.522 1.00 0.00 C ATOM 686 CG LEU A 49 12.326 -13.565 3.996 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.671 -13.121 3.417 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.949 -14.979 3.549 1.00 0.00 C ATOM 0 H LEU A 49 11.871 -11.019 5.469 1.00 0.00 H new ATOM 0 HA LEU A 49 10.226 -13.343 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.187 -12.863 5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.457 -14.452 5.939 1.00 0.00 H new ATOM 0 HG LEU A 49 11.567 -12.889 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.647 -13.210 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.861 -12.084 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.465 -13.753 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.959 -15.031 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.668 -15.692 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.952 -15.223 3.915 1.00 0.00 H new ATOM 700 N GLU A 50 10.180 -14.073 8.012 1.00 0.00 N ATOM 701 CA GLU A 50 9.981 -14.407 9.412 1.00 0.00 C ATOM 702 C GLU A 50 11.327 -14.490 10.135 1.00 0.00 C ATOM 703 O GLU A 50 12.284 -15.057 9.610 1.00 0.00 O ATOM 704 CB GLU A 50 9.198 -15.713 9.559 1.00 0.00 C ATOM 705 CG GLU A 50 8.150 -15.603 10.667 1.00 0.00 C ATOM 706 CD GLU A 50 8.291 -16.749 11.672 1.00 0.00 C ATOM 707 OE1 GLU A 50 7.692 -17.813 11.406 1.00 0.00 O ATOM 708 OE2 GLU A 50 8.996 -16.534 12.682 1.00 0.00 O ATOM 0 H GLU A 50 9.679 -14.672 7.355 1.00 0.00 H new ATOM 0 HA GLU A 50 9.391 -13.615 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.710 -15.957 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.885 -16.529 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.258 -14.648 11.181 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.151 -15.618 10.231 1.00 0.00 H new ATOM 715 N GLY A 51 11.358 -13.915 11.328 1.00 0.00 N ATOM 716 CA GLY A 51 12.571 -13.917 12.128 1.00 0.00 C ATOM 717 C GLY A 51 13.434 -12.693 11.818 1.00 0.00 C ATOM 718 O GLY A 51 14.110 -12.166 12.700 1.00 0.00 O ATOM 0 H GLY A 51 10.563 -13.445 11.760 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.313 -13.925 13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.139 -14.826 11.931 1.00 0.00 H new ATOM 722 N SER A 52 13.384 -12.276 10.561 1.00 0.00 N ATOM 723 CA SER A 52 14.153 -11.124 10.124 1.00 0.00 C ATOM 724 C SER A 52 13.421 -9.833 10.498 1.00 0.00 C ATOM 725 O SER A 52 12.205 -9.836 10.680 1.00 0.00 O ATOM 726 CB SER A 52 14.407 -11.172 8.616 1.00 0.00 C ATOM 727 OG SER A 52 15.065 -9.997 8.148 1.00 0.00 O ATOM 0 H SER A 52 12.823 -12.716 9.832 1.00 0.00 H new ATOM 0 HA SER A 52 15.119 -11.146 10.629 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.013 -12.046 8.378 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.458 -11.290 8.092 1.00 0.00 H new ATOM 0 HG SER A 52 15.840 -10.251 7.605 1.00 0.00 H new ATOM 733 N GLU A 53 14.193 -8.762 10.602 1.00 0.00 N ATOM 734 CA GLU A 53 13.633 -7.467 10.951 1.00 0.00 C ATOM 735 C GLU A 53 13.800 -6.486 9.788 1.00 0.00 C ATOM 736 O GLU A 53 13.368 -5.337 9.874 1.00 0.00 O ATOM 737 CB GLU A 53 14.275 -6.919 12.227 1.00 0.00 C ATOM 738 CG GLU A 53 13.220 -6.307 13.151 1.00 0.00 C ATOM 739 CD GLU A 53 13.860 -5.766 14.431 1.00 0.00 C ATOM 740 OE1 GLU A 53 14.888 -5.067 14.300 1.00 0.00 O ATOM 741 OE2 GLU A 53 13.307 -6.063 15.512 1.00 0.00 O ATOM 0 H GLU A 53 15.202 -8.764 10.451 1.00 0.00 H new ATOM 0 HA GLU A 53 12.568 -7.593 11.144 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.799 -7.720 12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.019 -6.166 11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.700 -5.502 12.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.472 -7.059 13.404 1.00 0.00 H new ATOM 748 N GLU A 54 14.426 -6.975 8.728 1.00 0.00 N ATOM 749 CA GLU A 54 14.655 -6.155 7.550 1.00 0.00 C ATOM 750 C GLU A 54 13.547 -6.386 6.521 1.00 0.00 C ATOM 751 O GLU A 54 13.194 -7.527 6.228 1.00 0.00 O ATOM 752 CB GLU A 54 16.032 -6.436 6.946 1.00 0.00 C ATOM 753 CG GLU A 54 15.979 -7.631 5.992 1.00 0.00 C ATOM 754 CD GLU A 54 17.386 -8.144 5.678 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.214 -8.138 6.614 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.601 -8.532 4.509 1.00 0.00 O ATOM 0 H GLU A 54 14.782 -7.928 8.660 1.00 0.00 H new ATOM 0 HA GLU A 54 14.634 -5.107 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.385 -5.554 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.749 -6.634 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.387 -8.431 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.479 -7.341 5.068 1.00 0.00 H new ATOM 763 N TRP A 55 13.029 -5.283 5.999 1.00 0.00 N ATOM 764 CA TRP A 55 11.968 -5.351 5.008 1.00 0.00 C ATOM 765 C TRP A 55 12.598 -5.154 3.628 1.00 0.00 C ATOM 766 O TRP A 55 13.097 -4.074 3.318 1.00 0.00 O ATOM 767 CB TRP A 55 10.867 -4.334 5.314 1.00 0.00 C ATOM 768 CG TRP A 55 10.018 -4.684 6.538 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.295 -4.449 7.828 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.735 -5.345 6.534 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.288 -4.909 8.652 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.310 -5.471 7.840 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.960 -5.820 5.462 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.096 -6.071 8.197 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.750 -6.417 5.835 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.307 -6.552 7.145 1.00 0.00 C ATOM 0 H TRP A 55 13.324 -4.338 6.244 1.00 0.00 H new ATOM 0 HA TRP A 55 11.479 -6.325 5.031 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.323 -3.356 5.469 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.215 -4.248 4.445 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.193 -3.961 8.178 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.266 -4.848 9.670 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.273 -5.731 4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.785 -6.158 9.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.116 -6.800 5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.359 -7.026 7.351 1.00 0.00 H new ATOM 787 N VAL A 56 12.553 -6.215 2.836 1.00 0.00 N ATOM 788 CA VAL A 56 13.113 -6.173 1.496 1.00 0.00 C ATOM 789 C VAL A 56 12.067 -5.613 0.528 1.00 0.00 C ATOM 790 O VAL A 56 10.881 -5.916 0.647 1.00 0.00 O ATOM 791 CB VAL A 56 13.616 -7.561 1.094 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.244 -7.534 -0.301 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.602 -8.107 2.129 1.00 0.00 C ATOM 0 H VAL A 56 12.137 -7.109 3.097 1.00 0.00 H new ATOM 0 HA VAL A 56 13.976 -5.508 1.464 1.00 0.00 H new ATOM 0 HB VAL A 56 12.758 -8.232 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.593 -8.533 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.501 -7.208 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.086 -6.842 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.944 -9.095 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.456 -7.435 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.108 -8.181 3.098 1.00 0.00 H new ATOM 803 N PRO A 57 12.558 -4.785 -0.432 1.00 0.00 N ATOM 804 CA PRO A 57 11.680 -4.180 -1.419 1.00 0.00 C ATOM 805 C PRO A 57 11.251 -5.204 -2.472 1.00 0.00 C ATOM 806 O PRO A 57 12.093 -5.813 -3.130 1.00 0.00 O ATOM 807 CB PRO A 57 12.480 -3.027 -2.003 1.00 0.00 C ATOM 808 CG PRO A 57 13.933 -3.312 -1.660 1.00 0.00 C ATOM 809 CD PRO A 57 13.957 -4.404 -0.604 1.00 0.00 C ATOM 0 HA PRO A 57 10.746 -3.821 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.339 -2.961 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.158 -2.075 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.480 -3.628 -2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.421 -2.411 -1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.562 -5.252 -0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.386 -4.042 0.330 1.00 0.00 H new ATOM 817 N ALA A 58 9.942 -5.362 -2.599 1.00 0.00 N ATOM 818 CA ALA A 58 9.391 -6.302 -3.560 1.00 0.00 C ATOM 819 C ALA A 58 9.526 -5.721 -4.969 1.00 0.00 C ATOM 820 O ALA A 58 9.928 -6.421 -5.897 1.00 0.00 O ATOM 821 CB ALA A 58 7.939 -6.615 -3.195 1.00 0.00 C ATOM 0 H ALA A 58 9.246 -4.855 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 58 9.942 -7.242 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.526 -7.320 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.901 -7.052 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.354 -5.696 -3.211 1.00 0.00 H new ATOM 827 N ASN A 59 9.181 -4.447 -5.085 1.00 0.00 N ATOM 828 CA ASN A 59 9.258 -3.764 -6.365 1.00 0.00 C ATOM 829 C ASN A 59 10.209 -2.571 -6.245 1.00 0.00 C ATOM 830 O ASN A 59 10.014 -1.699 -5.400 1.00 0.00 O ATOM 831 CB ASN A 59 7.887 -3.234 -6.790 1.00 0.00 C ATOM 832 CG ASN A 59 7.251 -2.401 -5.675 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.525 -2.578 -4.499 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.390 -1.485 -6.108 1.00 0.00 N ATOM 0 H ASN A 59 8.847 -3.870 -4.313 1.00 0.00 H new ATOM 0 HA ASN A 59 9.615 -4.478 -7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.991 -2.626 -7.689 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.233 -4.069 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.913 -0.878 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.206 -1.390 -7.107 1.00 0.00 H new ATOM 841 N LYS A 60 11.218 -2.572 -7.104 1.00 0.00 N ATOM 842 CA LYS A 60 12.200 -1.501 -7.105 1.00 0.00 C ATOM 843 C LYS A 60 11.481 -0.155 -7.213 1.00 0.00 C ATOM 844 O LYS A 60 11.821 0.793 -6.507 1.00 0.00 O ATOM 845 CB LYS A 60 13.242 -1.731 -8.201 1.00 0.00 C ATOM 846 CG LYS A 60 14.605 -2.079 -7.599 1.00 0.00 C ATOM 847 CD LYS A 60 15.599 -2.485 -8.689 1.00 0.00 C ATOM 848 CE LYS A 60 16.997 -1.942 -8.385 1.00 0.00 C ATOM 849 NZ LYS A 60 18.006 -2.603 -9.242 1.00 0.00 N ATOM 0 H LYS A 60 11.377 -3.297 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 60 12.754 -1.492 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.913 -2.538 -8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.331 -0.836 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.993 -1.222 -7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.493 -2.893 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.636 -3.572 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.260 -2.108 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.019 -0.865 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.238 -2.108 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.949 -2.224 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.995 -3.628 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.784 -2.423 -10.242 1.00 0.00 H new ATOM 863 N GLU A 61 10.499 -0.114 -8.102 1.00 0.00 N ATOM 864 CA GLU A 61 9.729 1.100 -8.311 1.00 0.00 C ATOM 865 C GLU A 61 8.284 0.898 -7.847 1.00 0.00 C ATOM 866 O GLU A 61 7.784 -0.225 -7.833 1.00 0.00 O ATOM 867 CB GLU A 61 9.778 1.534 -9.777 1.00 0.00 C ATOM 868 CG GLU A 61 8.985 0.571 -10.662 1.00 0.00 C ATOM 869 CD GLU A 61 9.920 -0.264 -11.539 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.329 0.264 -12.595 1.00 0.00 O ATOM 871 OE2 GLU A 61 10.204 -1.412 -11.133 1.00 0.00 O ATOM 0 H GLU A 61 10.219 -0.902 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 61 10.174 1.897 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.373 2.541 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.814 1.573 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.381 -0.088 -10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.296 1.134 -11.292 1.00 0.00 H new ATOM 878 N PRO A 62 7.638 2.034 -7.470 1.00 0.00 N ATOM 879 CA PRO A 62 6.262 1.993 -7.007 1.00 0.00 C ATOM 880 C PRO A 62 5.296 1.791 -8.176 1.00 0.00 C ATOM 881 O PRO A 62 5.297 2.569 -9.129 1.00 0.00 O ATOM 882 CB PRO A 62 6.051 3.313 -6.284 1.00 0.00 C ATOM 883 CG PRO A 62 7.159 4.235 -6.767 1.00 0.00 C ATOM 884 CD PRO A 62 8.199 3.382 -7.474 1.00 0.00 C ATOM 0 HA PRO A 62 6.067 1.153 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.070 3.730 -6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.098 3.178 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.760 4.990 -7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.607 4.766 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.376 3.734 -8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.157 3.414 -6.955 1.00 0.00 H new ATOM 892 N VAL A 63 4.494 0.741 -8.065 1.00 0.00 N ATOM 893 CA VAL A 63 3.526 0.427 -9.102 1.00 0.00 C ATOM 894 C VAL A 63 2.508 1.565 -9.205 1.00 0.00 C ATOM 895 O VAL A 63 2.547 2.510 -8.419 1.00 0.00 O ATOM 896 CB VAL A 63 2.878 -0.930 -8.818 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.931 -2.039 -8.761 1.00 0.00 C ATOM 898 CG2 VAL A 63 2.057 -0.887 -7.528 1.00 0.00 C ATOM 0 H VAL A 63 4.495 0.098 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 63 4.018 0.342 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 63 2.198 -1.155 -9.640 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.444 -2.993 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.453 -2.094 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.647 -1.821 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.608 -1.864 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.707 -0.629 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.271 -0.138 -7.622 1.00 0.00 H new ATOM 908 N GLU A 64 1.621 1.436 -10.181 1.00 0.00 N ATOM 909 CA GLU A 64 0.595 2.442 -10.397 1.00 0.00 C ATOM 910 C GLU A 64 -0.774 1.902 -9.981 1.00 0.00 C ATOM 911 O GLU A 64 -1.593 2.634 -9.428 1.00 0.00 O ATOM 912 CB GLU A 64 0.582 2.907 -11.855 1.00 0.00 C ATOM 913 CG GLU A 64 0.508 1.713 -12.810 1.00 0.00 C ATOM 914 CD GLU A 64 0.055 2.154 -14.203 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.933 2.609 -14.968 1.00 0.00 O ATOM 916 OE2 GLU A 64 -1.159 2.025 -14.473 1.00 0.00 O ATOM 0 H GLU A 64 1.592 0.650 -10.831 1.00 0.00 H new ATOM 0 HA GLU A 64 0.826 3.308 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.270 3.565 -12.023 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.480 3.489 -12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.485 1.234 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.185 0.970 -12.416 1.00 0.00 H new ATOM 923 N ARG A 65 -0.981 0.624 -10.263 1.00 0.00 N ATOM 924 CA ARG A 65 -2.237 -0.024 -9.924 1.00 0.00 C ATOM 925 C ARG A 65 -2.203 -0.526 -8.480 1.00 0.00 C ATOM 926 O ARG A 65 -1.137 -0.604 -7.870 1.00 0.00 O ATOM 927 CB ARG A 65 -2.520 -1.201 -10.860 1.00 0.00 C ATOM 928 CG ARG A 65 -3.132 -0.720 -12.177 1.00 0.00 C ATOM 929 CD ARG A 65 -4.577 -1.204 -12.318 1.00 0.00 C ATOM 930 NE ARG A 65 -4.610 -2.495 -13.041 1.00 0.00 N ATOM 931 CZ ARG A 65 -5.736 -3.142 -13.372 1.00 0.00 C ATOM 932 NH1 ARG A 65 -6.927 -2.623 -13.046 1.00 0.00 N ATOM 933 NH2 ARG A 65 -5.669 -4.309 -14.028 1.00 0.00 N ATOM 0 H ARG A 65 -0.300 0.020 -10.723 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.031 0.714 -10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.595 -1.741 -11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.199 -1.902 -10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.103 0.369 -12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.538 -1.087 -13.014 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.029 -1.318 -11.333 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.167 -0.462 -12.855 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.720 -2.919 -13.304 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.977 -1.735 -12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.784 -3.115 -13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.762 -4.704 -14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.525 -4.802 -14.280 1.00 0.00 H new ATOM 947 N CYS A 66 -3.383 -0.854 -7.973 1.00 0.00 N ATOM 948 CA CYS A 66 -3.501 -1.346 -6.611 1.00 0.00 C ATOM 949 C CYS A 66 -3.377 -2.871 -6.639 1.00 0.00 C ATOM 950 O CYS A 66 -4.350 -3.581 -6.389 1.00 0.00 O ATOM 951 CB CYS A 66 -4.808 -0.892 -5.957 1.00 0.00 C ATOM 952 SG CYS A 66 -5.068 0.895 -6.254 1.00 0.00 S ATOM 0 H CYS A 66 -4.265 -0.789 -8.481 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.701 -0.928 -6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.644 -1.462 -6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.776 -1.090 -4.886 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.231 1.581 -5.534 1.00 0.00 H new ATOM 958 N GLY A 67 -2.172 -3.329 -6.946 1.00 0.00 N ATOM 959 CA GLY A 67 -1.909 -4.757 -7.010 1.00 0.00 C ATOM 960 C GLY A 67 -0.510 -5.031 -7.567 1.00 0.00 C ATOM 961 O GLY A 67 -0.005 -4.269 -8.390 1.00 0.00 O ATOM 0 H GLY A 67 -1.368 -2.737 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.000 -5.192 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.656 -5.241 -7.639 1.00 0.00 H new ATOM 965 N PHE A 68 0.075 -6.123 -7.097 1.00 0.00 N ATOM 966 CA PHE A 68 1.405 -6.508 -7.539 1.00 0.00 C ATOM 967 C PHE A 68 1.669 -7.988 -7.257 1.00 0.00 C ATOM 968 O PHE A 68 0.953 -8.613 -6.476 1.00 0.00 O ATOM 969 CB PHE A 68 2.402 -5.663 -6.743 1.00 0.00 C ATOM 970 CG PHE A 68 3.859 -5.852 -7.171 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.334 -5.207 -8.269 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.679 -6.666 -6.453 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.686 -5.382 -8.667 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.030 -6.841 -6.850 1.00 0.00 C ATOM 975 CZ PHE A 68 6.506 -6.196 -7.949 1.00 0.00 C ATOM 0 H PHE A 68 -0.347 -6.753 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 68 1.502 -6.348 -8.613 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.137 -4.611 -6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.310 -5.911 -5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.683 -4.561 -8.839 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.302 -7.179 -5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.063 -4.869 -9.539 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.681 -7.487 -6.279 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.534 -6.330 -8.251 1.00 0.00 H new ATOM 985 N THR A 69 2.700 -8.507 -7.908 1.00 0.00 N ATOM 986 CA THR A 69 3.068 -9.902 -7.737 1.00 0.00 C ATOM 987 C THR A 69 4.540 -10.020 -7.336 1.00 0.00 C ATOM 988 O THR A 69 5.424 -9.581 -8.070 1.00 0.00 O ATOM 989 CB THR A 69 2.729 -10.642 -9.033 1.00 0.00 C ATOM 990 OG1 THR A 69 1.326 -10.875 -8.943 1.00 0.00 O ATOM 991 CG2 THR A 69 3.338 -12.045 -9.081 1.00 0.00 C ATOM 0 H THR A 69 3.292 -7.986 -8.555 1.00 0.00 H new ATOM 0 HA THR A 69 2.505 -10.364 -6.926 1.00 0.00 H new ATOM 0 HB THR A 69 3.083 -10.063 -9.886 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.021 -11.350 -9.744 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.068 -12.527 -10.020 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.423 -11.973 -9.009 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.957 -12.636 -8.248 1.00 0.00 H new ATOM 999 N VAL A 70 4.757 -10.616 -6.173 1.00 0.00 N ATOM 1000 CA VAL A 70 6.106 -10.798 -5.666 1.00 0.00 C ATOM 1001 C VAL A 70 6.691 -12.092 -6.236 1.00 0.00 C ATOM 1002 O VAL A 70 5.951 -13.007 -6.593 1.00 0.00 O ATOM 1003 CB VAL A 70 6.099 -10.768 -4.136 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.523 -10.684 -3.582 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.239 -9.616 -3.614 1.00 0.00 C ATOM 0 H VAL A 70 4.021 -10.979 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 70 6.749 -9.980 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 70 5.658 -11.701 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.489 -10.664 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.093 -11.552 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.002 -9.775 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.251 -9.618 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.637 -8.670 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.215 -9.738 -3.965 1.00 0.00 H new ATOM 1015 N LYS A 71 8.014 -12.126 -6.304 1.00 0.00 N ATOM 1016 CA LYS A 71 8.706 -13.293 -6.824 1.00 0.00 C ATOM 1017 C LYS A 71 9.923 -13.593 -5.946 1.00 0.00 C ATOM 1018 O LYS A 71 10.255 -12.815 -5.053 1.00 0.00 O ATOM 1019 CB LYS A 71 9.048 -13.098 -8.303 1.00 0.00 C ATOM 1020 CG LYS A 71 9.957 -11.884 -8.500 1.00 0.00 C ATOM 1021 CD LYS A 71 9.728 -11.243 -9.870 1.00 0.00 C ATOM 1022 CE LYS A 71 8.405 -10.475 -9.901 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.589 -9.151 -10.536 1.00 0.00 N ATOM 0 H LYS A 71 8.625 -11.365 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 71 8.059 -14.169 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.540 -13.991 -8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.131 -12.967 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.766 -11.152 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.000 -12.187 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.551 -10.567 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.723 -12.014 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.658 -11.048 -10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.027 -10.349 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.682 -8.643 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.286 -8.601 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.929 -9.278 -11.511 1.00 0.00 H new ATOM 1037 N ASP A 72 10.554 -14.722 -6.231 1.00 0.00 N ATOM 1038 CA ASP A 72 11.727 -15.134 -5.479 1.00 0.00 C ATOM 1039 C ASP A 72 11.388 -15.159 -3.987 1.00 0.00 C ATOM 1040 O ASP A 72 11.696 -14.216 -3.261 1.00 0.00 O ATOM 1041 CB ASP A 72 12.885 -14.155 -5.684 1.00 0.00 C ATOM 1042 CG ASP A 72 14.280 -14.761 -5.524 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.745 -15.382 -6.505 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.851 -14.590 -4.426 1.00 0.00 O ATOM 0 H ASP A 72 10.275 -15.365 -6.972 1.00 0.00 H new ATOM 0 HA ASP A 72 12.023 -16.122 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.805 -13.725 -6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.778 -13.335 -4.974 1.00 0.00 H new ATOM 1049 N LEU A 73 10.757 -16.249 -3.575 1.00 0.00 N ATOM 1050 CA LEU A 73 10.372 -16.410 -2.183 1.00 0.00 C ATOM 1051 C LEU A 73 10.522 -17.879 -1.784 1.00 0.00 C ATOM 1052 O LEU A 73 10.313 -18.773 -2.602 1.00 0.00 O ATOM 1053 CB LEU A 73 8.969 -15.848 -1.947 1.00 0.00 C ATOM 1054 CG LEU A 73 8.684 -14.475 -2.559 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.179 -14.225 -2.668 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.394 -13.368 -1.776 1.00 0.00 C ATOM 0 H LEU A 73 10.503 -17.029 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 73 11.033 -15.835 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.243 -16.558 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.800 -15.787 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 73 9.086 -14.462 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.004 -13.242 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.728 -14.990 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.731 -14.265 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.175 -12.402 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.043 -13.370 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.470 -13.542 -1.794 1.00 0.00 H new ATOM 1068 N PRO A 74 10.892 -18.089 -0.492 1.00 0.00 N ATOM 1069 CA PRO A 74 11.072 -19.434 0.026 1.00 0.00 C ATOM 1070 C PRO A 74 9.723 -20.114 0.267 1.00 0.00 C ATOM 1071 O PRO A 74 8.906 -19.624 1.045 1.00 0.00 O ATOM 1072 CB PRO A 74 11.885 -19.261 1.299 1.00 0.00 C ATOM 1073 CG PRO A 74 11.733 -17.801 1.694 1.00 0.00 C ATOM 1074 CD PRO A 74 11.149 -17.054 0.506 1.00 0.00 C ATOM 0 HA PRO A 74 11.590 -20.088 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.521 -19.919 2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.932 -19.514 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.081 -17.707 2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.698 -17.379 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.233 -16.531 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.844 -16.304 0.129 1.00 0.00 H new ATOM 1082 N THR A 75 9.530 -21.234 -0.416 1.00 0.00 N ATOM 1083 CA THR A 75 8.294 -21.986 -0.286 1.00 0.00 C ATOM 1084 C THR A 75 8.143 -22.522 1.139 1.00 0.00 C ATOM 1085 O THR A 75 8.971 -23.304 1.602 1.00 0.00 O ATOM 1086 CB THR A 75 8.295 -23.084 -1.352 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.313 -22.370 -2.585 1.00 0.00 O ATOM 1088 CG2 THR A 75 6.978 -23.862 -1.392 1.00 0.00 C ATOM 0 H THR A 75 10.209 -21.638 -1.061 1.00 0.00 H new ATOM 0 HA THR A 75 7.424 -21.351 -0.454 1.00 0.00 H new ATOM 0 HB THR A 75 9.118 -23.773 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.596 -21.701 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.032 -24.629 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.804 -24.334 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.158 -23.179 -1.615 1.00 0.00 H new ATOM 1096 N GLY A 76 7.079 -22.080 1.793 1.00 0.00 N ATOM 1097 CA GLY A 76 6.809 -22.506 3.156 1.00 0.00 C ATOM 1098 C GLY A 76 7.497 -21.585 4.165 1.00 0.00 C ATOM 1099 O GLY A 76 8.038 -22.049 5.167 1.00 0.00 O ATOM 0 H GLY A 76 6.394 -21.432 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.734 -22.507 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.157 -23.529 3.296 1.00 0.00 H new ATOM 1103 N ALA A 77 7.453 -20.295 3.866 1.00 0.00 N ATOM 1104 CA ALA A 77 8.066 -19.304 4.734 1.00 0.00 C ATOM 1105 C ALA A 77 7.033 -18.231 5.084 1.00 0.00 C ATOM 1106 O ALA A 77 6.384 -17.676 4.199 1.00 0.00 O ATOM 1107 CB ALA A 77 9.304 -18.720 4.050 1.00 0.00 C ATOM 0 H ALA A 77 7.002 -19.913 3.035 1.00 0.00 H new ATOM 0 HA ALA A 77 8.395 -19.762 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.763 -17.977 4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.019 -19.518 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.013 -18.249 3.111 1.00 0.00 H new ATOM 1113 N ARG A 78 6.912 -17.970 6.378 1.00 0.00 N ATOM 1114 CA ARG A 78 5.969 -16.974 6.856 1.00 0.00 C ATOM 1115 C ARG A 78 6.501 -15.565 6.582 1.00 0.00 C ATOM 1116 O ARG A 78 7.147 -14.964 7.439 1.00 0.00 O ATOM 1117 CB ARG A 78 5.714 -17.132 8.356 1.00 0.00 C ATOM 1118 CG ARG A 78 4.582 -18.128 8.617 1.00 0.00 C ATOM 1119 CD ARG A 78 5.128 -19.441 9.183 1.00 0.00 C ATOM 1120 NE ARG A 78 4.905 -20.540 8.216 1.00 0.00 N ATOM 1121 CZ ARG A 78 5.440 -21.763 8.333 1.00 0.00 C ATOM 1122 NH1 ARG A 78 6.231 -22.052 9.375 1.00 0.00 N ATOM 1123 NH2 ARG A 78 5.183 -22.698 7.407 1.00 0.00 N ATOM 0 H ARG A 78 7.452 -18.432 7.110 1.00 0.00 H new ATOM 0 HA ARG A 78 5.031 -17.123 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.624 -17.473 8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.459 -16.165 8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.866 -17.696 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.043 -18.323 7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.193 -19.341 9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.636 -19.672 10.128 1.00 0.00 H new ATOM 0 HE ARG A 78 4.307 -20.355 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.426 -21.341 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.638 -22.983 9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.580 -22.478 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.590 -23.629 7.496 1.00 0.00 H new ATOM 1137 N ILE A 79 6.210 -15.080 5.384 1.00 0.00 N ATOM 1138 CA ILE A 79 6.651 -13.754 4.986 1.00 0.00 C ATOM 1139 C ILE A 79 5.485 -12.773 5.119 1.00 0.00 C ATOM 1140 O ILE A 79 4.368 -13.070 4.698 1.00 0.00 O ATOM 1141 CB ILE A 79 7.267 -13.791 3.587 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.439 -14.773 3.529 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.671 -12.389 3.127 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.797 -15.116 2.082 1.00 0.00 C ATOM 0 H ILE A 79 5.674 -15.582 4.676 1.00 0.00 H new ATOM 0 HA ILE A 79 7.442 -13.401 5.647 1.00 0.00 H new ATOM 0 HB ILE A 79 6.510 -14.152 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.306 -14.340 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.182 -15.684 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.106 -12.445 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.791 -11.746 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.404 -11.976 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.633 -15.815 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.936 -15.571 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.078 -14.206 1.551 1.00 0.00 H new ATOM 1156 N LEU A 80 5.784 -11.623 5.705 1.00 0.00 N ATOM 1157 CA LEU A 80 4.774 -10.596 5.899 1.00 0.00 C ATOM 1158 C LEU A 80 4.917 -9.535 4.806 1.00 0.00 C ATOM 1159 O LEU A 80 5.994 -8.969 4.621 1.00 0.00 O ATOM 1160 CB LEU A 80 4.850 -10.031 7.318 1.00 0.00 C ATOM 1161 CG LEU A 80 4.127 -10.835 8.400 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.558 -10.387 9.798 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.610 -10.761 8.217 1.00 0.00 C ATOM 0 H LEU A 80 6.712 -11.379 6.052 1.00 0.00 H new ATOM 0 HA LEU A 80 3.775 -11.021 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.900 -9.945 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.439 -9.021 7.308 1.00 0.00 H new ATOM 0 HG LEU A 80 4.413 -11.881 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.029 -10.975 10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.632 -10.535 9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.321 -9.331 9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.120 -11.341 8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.286 -9.722 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.341 -11.167 7.242 1.00 0.00 H new ATOM 1175 N PHE A 81 3.815 -9.296 4.110 1.00 0.00 N ATOM 1176 CA PHE A 81 3.804 -8.313 3.040 1.00 0.00 C ATOM 1177 C PHE A 81 3.146 -7.010 3.500 1.00 0.00 C ATOM 1178 O PHE A 81 2.101 -7.034 4.147 1.00 0.00 O ATOM 1179 CB PHE A 81 2.983 -8.908 1.894 1.00 0.00 C ATOM 1180 CG PHE A 81 3.606 -10.156 1.265 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.876 -10.112 0.780 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.890 -11.310 1.191 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.454 -11.270 0.197 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.468 -12.468 0.607 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.738 -12.424 0.122 1.00 0.00 C ATOM 0 H PHE A 81 2.923 -9.766 4.266 1.00 0.00 H new ATOM 0 HA PHE A 81 4.825 -8.085 2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.989 -9.158 2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.854 -8.150 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.445 -9.196 0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.882 -11.346 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.463 -11.235 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.899 -13.384 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.178 -13.305 -0.322 1.00 0.00 H new ATOM 1195 N ARG A 82 3.786 -5.905 3.147 1.00 0.00 N ATOM 1196 CA ARG A 82 3.276 -4.595 3.515 1.00 0.00 C ATOM 1197 C ARG A 82 3.367 -3.637 2.326 1.00 0.00 C ATOM 1198 O ARG A 82 4.374 -3.612 1.619 1.00 0.00 O ATOM 1199 CB ARG A 82 4.058 -4.011 4.693 1.00 0.00 C ATOM 1200 CG ARG A 82 5.421 -3.484 4.239 1.00 0.00 C ATOM 1201 CD ARG A 82 6.223 -2.945 5.426 1.00 0.00 C ATOM 1202 NE ARG A 82 7.625 -2.702 5.020 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.029 -1.639 4.312 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.140 -0.713 3.927 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.323 -1.501 3.989 1.00 0.00 N ATOM 0 H ARG A 82 4.653 -5.890 2.610 1.00 0.00 H new ATOM 0 HA ARG A 82 2.234 -4.716 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.486 -3.204 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.196 -4.776 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.979 -4.283 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.282 -2.694 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.775 -2.020 5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.193 -3.658 6.250 1.00 0.00 H new ATOM 0 HE ARG A 82 8.328 -3.387 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.156 -0.818 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.448 0.096 3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.000 -2.205 4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.631 -0.692 3.450 1.00 0.00 H new ATOM 1219 N VAL A 83 2.302 -2.870 2.142 1.00 0.00 N ATOM 1220 CA VAL A 83 2.249 -1.912 1.050 1.00 0.00 C ATOM 1221 C VAL A 83 2.225 -0.494 1.623 1.00 0.00 C ATOM 1222 O VAL A 83 1.412 -0.186 2.493 1.00 0.00 O ATOM 1223 CB VAL A 83 1.051 -2.213 0.148 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.511 -0.932 -0.492 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.414 -3.248 -0.919 1.00 0.00 C ATOM 0 H VAL A 83 1.469 -2.892 2.731 1.00 0.00 H new ATOM 0 HA VAL A 83 3.138 -1.995 0.425 1.00 0.00 H new ATOM 0 HB VAL A 83 0.262 -2.636 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.340 -1.174 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.195 -0.240 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.293 -0.468 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.545 -3.444 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.228 -2.865 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.729 -4.173 -0.436 1.00 0.00 H new ATOM 1235 N VAL A 84 3.126 0.332 1.112 1.00 0.00 N ATOM 1236 CA VAL A 84 3.218 1.711 1.562 1.00 0.00 C ATOM 1237 C VAL A 84 3.041 2.646 0.365 1.00 0.00 C ATOM 1238 O VAL A 84 3.653 2.443 -0.683 1.00 0.00 O ATOM 1239 CB VAL A 84 4.539 1.932 2.303 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.434 1.472 3.759 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.694 1.229 1.587 1.00 0.00 C ATOM 0 H VAL A 84 3.799 0.073 0.391 1.00 0.00 H new ATOM 0 HA VAL A 84 2.421 1.936 2.271 1.00 0.00 H new ATOM 0 HB VAL A 84 4.748 3.002 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.386 1.640 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.651 2.038 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.190 0.410 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.621 1.402 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.495 0.158 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.790 1.625 0.576 1.00 0.00 H new ATOM 1251 N GLY A 85 2.200 3.651 0.559 1.00 0.00 N ATOM 1252 CA GLY A 85 1.934 4.619 -0.492 1.00 0.00 C ATOM 1253 C GLY A 85 3.061 5.650 -0.586 1.00 0.00 C ATOM 1254 O GLY A 85 3.373 6.324 0.394 1.00 0.00 O ATOM 0 H GLY A 85 1.693 3.816 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.827 4.104 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.989 5.125 -0.295 1.00 0.00 H new ATOM 1258 N VAL A 86 3.640 5.739 -1.774 1.00 0.00 N ATOM 1259 CA VAL A 86 4.725 6.676 -2.009 1.00 0.00 C ATOM 1260 C VAL A 86 4.154 7.981 -2.568 1.00 0.00 C ATOM 1261 O VAL A 86 3.054 7.996 -3.118 1.00 0.00 O ATOM 1262 CB VAL A 86 5.775 6.042 -2.924 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.643 5.045 -2.153 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.117 5.376 -4.134 1.00 0.00 C ATOM 0 H VAL A 86 3.378 5.178 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 86 5.231 6.917 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 86 6.424 6.837 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.381 4.609 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.154 5.560 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.013 4.255 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.885 4.933 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.434 4.598 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.562 6.122 -4.703 1.00 0.00 H new ATOM 1274 N ASN A 87 4.928 9.044 -2.408 1.00 0.00 N ATOM 1275 CA ASN A 87 4.514 10.351 -2.891 1.00 0.00 C ATOM 1276 C ASN A 87 5.622 11.368 -2.611 1.00 0.00 C ATOM 1277 O ASN A 87 6.627 11.040 -1.982 1.00 0.00 O ATOM 1278 CB ASN A 87 3.246 10.824 -2.177 1.00 0.00 C ATOM 1279 CG ASN A 87 3.324 10.542 -0.675 1.00 0.00 C ATOM 1280 OD1 ASN A 87 4.184 11.041 0.033 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.381 9.717 -0.230 1.00 0.00 N ATOM 0 H ASN A 87 5.840 9.027 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 87 4.318 10.270 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.108 11.892 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.377 10.321 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.347 9.466 0.758 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.691 9.335 -0.877 1.00 0.00 H new ATOM 1288 N ILE A 88 5.401 12.583 -3.092 1.00 0.00 N ATOM 1289 CA ILE A 88 6.368 13.650 -2.901 1.00 0.00 C ATOM 1290 C ILE A 88 6.635 13.830 -1.406 1.00 0.00 C ATOM 1291 O ILE A 88 7.700 14.304 -1.014 1.00 0.00 O ATOM 1292 CB ILE A 88 5.901 14.928 -3.601 1.00 0.00 C ATOM 1293 CG1 ILE A 88 7.024 15.966 -3.655 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.638 15.484 -2.941 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.191 16.519 -5.072 1.00 0.00 C ATOM 0 H ILE A 88 4.567 12.852 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 88 7.319 13.389 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 88 5.644 14.679 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.804 16.781 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.959 15.513 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.327 16.392 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.841 14.743 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.845 15.714 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.995 17.255 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.435 15.704 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.262 16.992 -5.390 1.00 0.00 H new ATOM 1307 N ALA A 89 5.648 13.444 -0.611 1.00 0.00 N ATOM 1308 CA ALA A 89 5.762 13.556 0.833 1.00 0.00 C ATOM 1309 C ALA A 89 6.686 12.454 1.355 1.00 0.00 C ATOM 1310 O ALA A 89 7.294 12.599 2.415 1.00 0.00 O ATOM 1311 CB ALA A 89 4.369 13.496 1.463 1.00 0.00 C ATOM 0 H ALA A 89 4.765 13.053 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 89 6.203 14.514 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.456 13.580 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.762 14.318 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.896 12.547 1.209 1.00 0.00 H new ATOM 1317 N GLY A 90 6.763 11.377 0.587 1.00 0.00 N ATOM 1318 CA GLY A 90 7.602 10.251 0.959 1.00 0.00 C ATOM 1319 C GLY A 90 6.799 8.949 0.969 1.00 0.00 C ATOM 1320 O GLY A 90 6.418 8.442 -0.085 1.00 0.00 O ATOM 0 H GLY A 90 6.258 11.261 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.433 10.165 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 90 8.033 10.424 1.945 1.00 0.00 H new ATOM 1324 N ARG A 91 6.567 8.443 2.171 1.00 0.00 N ATOM 1325 CA ARG A 91 5.816 7.210 2.333 1.00 0.00 C ATOM 1326 C ARG A 91 4.775 7.363 3.443 1.00 0.00 C ATOM 1327 O ARG A 91 4.800 8.339 4.192 1.00 0.00 O ATOM 1328 CB ARG A 91 6.744 6.041 2.670 1.00 0.00 C ATOM 1329 CG ARG A 91 7.524 6.314 3.957 1.00 0.00 C ATOM 1330 CD ARG A 91 6.990 5.466 5.113 1.00 0.00 C ATOM 1331 NE ARG A 91 8.113 4.969 5.939 1.00 0.00 N ATOM 1332 CZ ARG A 91 8.744 5.701 6.867 1.00 0.00 C ATOM 1333 NH1 ARG A 91 8.365 6.966 7.094 1.00 0.00 N ATOM 1334 NH2 ARG A 91 9.754 5.168 7.569 1.00 0.00 N ATOM 0 H ARG A 91 6.886 8.865 3.043 1.00 0.00 H new ATOM 0 HA ARG A 91 5.315 7.001 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.159 5.128 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.439 5.875 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.580 6.096 3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.451 7.371 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.312 6.059 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.415 4.626 4.723 1.00 0.00 H new ATOM 0 HE ARG A 91 8.426 4.009 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.596 7.372 6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.845 7.523 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.042 4.205 7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.234 5.726 8.275 1.00 0.00 H new ATOM 1348 N SER A 92 3.885 6.385 3.515 1.00 0.00 N ATOM 1349 CA SER A 92 2.837 6.398 4.522 1.00 0.00 C ATOM 1350 C SER A 92 2.862 5.094 5.321 1.00 0.00 C ATOM 1351 O SER A 92 3.609 4.174 4.991 1.00 0.00 O ATOM 1352 CB SER A 92 1.462 6.604 3.884 1.00 0.00 C ATOM 1353 OG SER A 92 1.019 5.443 3.185 1.00 0.00 O ATOM 0 H SER A 92 3.868 5.577 2.892 1.00 0.00 H new ATOM 0 HA SER A 92 3.023 7.233 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.738 6.860 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.504 7.448 3.195 1.00 0.00 H new ATOM 0 HG SER A 92 0.443 5.710 2.439 1.00 0.00 H new ATOM 1359 N GLU A 93 2.037 5.056 6.357 1.00 0.00 N ATOM 1360 CA GLU A 93 1.955 3.879 7.206 1.00 0.00 C ATOM 1361 C GLU A 93 1.795 2.619 6.352 1.00 0.00 C ATOM 1362 O GLU A 93 1.009 2.602 5.406 1.00 0.00 O ATOM 1363 CB GLU A 93 0.810 4.008 8.213 1.00 0.00 C ATOM 1364 CG GLU A 93 1.266 4.754 9.468 1.00 0.00 C ATOM 1365 CD GLU A 93 0.591 4.186 10.719 1.00 0.00 C ATOM 1366 OE1 GLU A 93 0.883 3.014 11.038 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.201 4.938 11.327 1.00 0.00 O ATOM 0 H GLU A 93 1.419 5.821 6.628 1.00 0.00 H new ATOM 0 HA GLU A 93 2.884 3.796 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.025 4.537 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.448 3.017 8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.349 4.677 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.029 5.814 9.372 1.00 0.00 H new ATOM 1374 N PRO A 94 2.573 1.569 6.727 1.00 0.00 N ATOM 1375 CA PRO A 94 2.525 0.308 6.006 1.00 0.00 C ATOM 1376 C PRO A 94 1.252 -0.470 6.346 1.00 0.00 C ATOM 1377 O PRO A 94 0.899 -0.609 7.516 1.00 0.00 O ATOM 1378 CB PRO A 94 3.794 -0.425 6.411 1.00 0.00 C ATOM 1379 CG PRO A 94 4.271 0.243 7.690 1.00 0.00 C ATOM 1380 CD PRO A 94 3.515 1.553 7.842 1.00 0.00 C ATOM 0 HA PRO A 94 2.486 0.443 4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.598 -1.485 6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.551 -0.357 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.090 -0.404 8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.345 0.425 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.996 1.602 8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.191 2.407 7.802 1.00 0.00 H new ATOM 1388 N ALA A 95 0.597 -0.955 5.302 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.630 -1.715 5.474 1.00 0.00 C ATOM 1390 C ALA A 95 -0.286 -3.192 5.674 1.00 0.00 C ATOM 1391 O ALA A 95 -0.835 -4.058 4.994 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.546 -1.487 4.270 1.00 0.00 C ATOM 0 H ALA A 95 0.893 -0.837 4.333 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.168 -1.379 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.466 -2.057 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.785 -0.426 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.041 -1.815 3.361 1.00 0.00 H new ATOM 1398 N THR A 96 0.622 -3.435 6.608 1.00 0.00 N ATOM 1399 CA THR A 96 1.045 -4.793 6.905 1.00 0.00 C ATOM 1400 C THR A 96 -0.147 -5.749 6.845 1.00 0.00 C ATOM 1401 O THR A 96 -1.259 -5.386 7.226 1.00 0.00 O ATOM 1402 CB THR A 96 1.747 -4.782 8.265 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.506 -3.576 8.254 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.801 -5.885 8.388 1.00 0.00 C ATOM 0 H THR A 96 1.076 -2.714 7.169 1.00 0.00 H new ATOM 0 HA THR A 96 1.752 -5.159 6.160 1.00 0.00 H new ATOM 0 HB THR A 96 1.007 -4.897 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.992 -3.488 9.100 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.269 -5.833 9.371 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.326 -6.858 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.560 -5.751 7.617 1.00 0.00 H new ATOM 1412 N LEU A 97 0.124 -6.953 6.362 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.913 -7.964 6.247 1.00 0.00 C ATOM 1414 C LEU A 97 -1.357 -8.395 7.646 1.00 0.00 C ATOM 1415 O LEU A 97 -0.547 -8.446 8.570 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.436 -9.123 5.369 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.623 -8.944 3.861 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.038 -10.130 3.092 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.095 -8.708 3.516 1.00 0.00 C ATOM 0 H LEU A 97 1.047 -7.251 6.046 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.790 -7.554 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.623 -9.290 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.964 -10.026 5.676 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.073 -8.056 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.184 -9.978 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.028 -10.211 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.541 -11.047 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.201 -8.584 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.687 -9.563 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.447 -7.809 4.021 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.644 -8.693 7.758 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.205 -9.117 9.029 1.00 0.00 C ATOM 1433 C LEU A 98 -2.608 -10.471 9.419 1.00 0.00 C ATOM 1434 O LEU A 98 -2.545 -10.808 10.601 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.734 -9.116 8.966 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.394 -7.757 8.723 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.294 -7.797 7.486 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -6.150 -7.284 9.967 1.00 0.00 C ATOM 0 H LEU A 98 -3.313 -8.649 6.989 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.940 -8.412 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.046 -9.796 8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.117 -9.521 9.903 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.609 -7.027 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.750 -6.819 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.698 -8.057 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.075 -8.544 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.610 -6.316 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.925 -8.008 10.219 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.455 -7.190 10.801 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.184 -11.209 8.405 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.593 -12.518 8.627 1.00 0.00 C ATOM 1452 C GLN A 99 -0.453 -12.761 7.636 1.00 0.00 C ATOM 1453 O GLN A 99 -0.452 -12.208 6.538 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.650 -13.620 8.529 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.493 -13.687 9.804 1.00 0.00 C ATOM 1456 CD GLN A 99 -3.684 -15.135 10.259 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.307 -15.946 9.593 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -3.114 -15.414 11.428 1.00 0.00 N ATOM 0 H GLN A 99 -2.238 -10.926 7.427 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.182 -12.543 9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.296 -13.434 7.671 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.164 -14.581 8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.009 -13.114 10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.465 -13.227 9.626 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.607 -14.688 11.934 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.184 -16.354 11.818 1.00 0.00 H new ATOM 1467 N PRO A 100 0.515 -13.612 8.071 1.00 0.00 N ATOM 1468 CA PRO A 100 1.658 -13.935 7.235 1.00 0.00 C ATOM 1469 C PRO A 100 1.263 -14.902 6.116 1.00 0.00 C ATOM 1470 O PRO A 100 0.173 -15.471 6.139 1.00 0.00 O ATOM 1471 CB PRO A 100 2.690 -14.519 8.187 1.00 0.00 C ATOM 1472 CG PRO A 100 1.922 -14.930 9.433 1.00 0.00 C ATOM 1473 CD PRO A 100 0.546 -14.286 9.366 1.00 0.00 C ATOM 0 HA PRO A 100 2.060 -13.064 6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.194 -15.375 7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.460 -13.785 8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.833 -16.015 9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.451 -14.609 10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.245 -15.032 9.443 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.399 -13.580 10.183 1.00 0.00 H new ATOM 1481 N VAL A 101 2.172 -15.057 5.164 1.00 0.00 N ATOM 1482 CA VAL A 101 1.932 -15.945 4.039 1.00 0.00 C ATOM 1483 C VAL A 101 2.935 -17.099 4.083 1.00 0.00 C ATOM 1484 O VAL A 101 4.123 -16.885 4.322 1.00 0.00 O ATOM 1485 CB VAL A 101 1.985 -15.155 2.729 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.004 -16.096 1.523 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.820 -14.168 2.636 1.00 0.00 C ATOM 0 H VAL A 101 3.075 -14.583 5.149 1.00 0.00 H new ATOM 0 HA VAL A 101 0.934 -16.380 4.101 1.00 0.00 H new ATOM 0 HB VAL A 101 2.911 -14.581 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.042 -15.510 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.881 -16.741 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.103 -16.709 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.882 -13.620 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.123 -14.713 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.870 -13.467 3.469 1.00 0.00 H new ATOM 1497 N THR A 102 2.421 -18.297 3.848 1.00 0.00 N ATOM 1498 CA THR A 102 3.257 -19.485 3.857 1.00 0.00 C ATOM 1499 C THR A 102 4.002 -19.624 2.528 1.00 0.00 C ATOM 1500 O THR A 102 5.060 -20.249 2.468 1.00 0.00 O ATOM 1501 CB THR A 102 2.367 -20.687 4.183 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.494 -20.840 5.594 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.920 -21.996 3.615 1.00 0.00 C ATOM 0 H THR A 102 1.436 -18.471 3.650 1.00 0.00 H new ATOM 0 HA THR A 102 4.031 -19.418 4.622 1.00 0.00 H new ATOM 0 HB THR A 102 1.365 -20.515 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.947 -21.597 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.251 -22.817 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.996 -21.919 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.908 -22.186 4.035 1.00 0.00 H new ATOM 1511 N ILE A 103 3.421 -19.030 1.496 1.00 0.00 N ATOM 1512 CA ILE A 103 4.017 -19.079 0.172 1.00 0.00 C ATOM 1513 C ILE A 103 3.995 -20.521 -0.339 1.00 0.00 C ATOM 1514 O ILE A 103 4.903 -21.300 -0.051 1.00 0.00 O ATOM 1515 CB ILE A 103 5.414 -18.454 0.189 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.364 -17.016 0.710 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.071 -18.542 -1.189 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.580 -16.114 -0.245 1.00 0.00 C ATOM 0 H ILE A 103 2.544 -18.512 1.550 1.00 0.00 H new ATOM 0 HA ILE A 103 3.435 -18.482 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 103 6.036 -19.025 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.900 -16.999 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.378 -16.633 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.062 -18.091 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.160 -19.588 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.460 -18.010 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.560 -15.098 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.061 -16.115 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.560 -16.486 -0.342 1.00 0.00 H new ATOM 1530 N ARG A 104 2.949 -20.833 -1.090 1.00 0.00 N ATOM 1531 CA ARG A 104 2.796 -22.168 -1.644 1.00 0.00 C ATOM 1532 C ARG A 104 1.452 -22.293 -2.364 1.00 0.00 C ATOM 1533 O ARG A 104 0.428 -21.840 -1.857 1.00 0.00 O ATOM 1534 CB ARG A 104 2.882 -23.232 -0.548 1.00 0.00 C ATOM 1535 CG ARG A 104 2.515 -24.613 -1.095 1.00 0.00 C ATOM 1536 CD ARG A 104 1.125 -25.040 -0.620 1.00 0.00 C ATOM 1537 NE ARG A 104 1.132 -26.476 -0.259 1.00 0.00 N ATOM 1538 CZ ARG A 104 1.128 -27.475 -1.152 1.00 0.00 C ATOM 1539 NH1 ARG A 104 1.116 -27.201 -2.464 1.00 0.00 N ATOM 1540 NH2 ARG A 104 1.135 -28.748 -0.733 1.00 0.00 N ATOM 0 H ARG A 104 2.199 -20.184 -1.328 1.00 0.00 H new ATOM 0 HA ARG A 104 3.608 -22.328 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.892 -23.256 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.211 -22.971 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.541 -24.595 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.255 -25.345 -0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.826 -24.442 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.391 -24.858 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 104 1.140 -26.720 0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.110 -26.232 -2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.113 -27.961 -3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.143 -28.956 0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.132 -29.509 -1.413 1.00 0.00 H new ATOM 1554 N GLU A 105 1.500 -22.912 -3.535 1.00 0.00 N ATOM 1555 CA GLU A 105 0.299 -23.103 -4.330 1.00 0.00 C ATOM 1556 C GLU A 105 -0.539 -24.249 -3.759 1.00 0.00 C ATOM 1557 O GLU A 105 -0.081 -25.389 -3.703 1.00 0.00 O ATOM 1558 CB GLU A 105 0.648 -23.357 -5.798 1.00 0.00 C ATOM 1559 CG GLU A 105 -0.374 -22.697 -6.726 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.847 -23.674 -7.804 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -0.042 -24.563 -8.156 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -2.002 -23.510 -8.251 1.00 0.00 O ATOM 0 H GLU A 105 2.352 -23.288 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.293 -22.189 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.643 -22.968 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.678 -24.430 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.228 -22.350 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.069 -21.819 -7.195 1.00 0.00 H new