USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 19 GLN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.3!) USER MOD Single : A 71 GLN : amide:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.74 X(o=-0.74,f=-1.2) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.13 F(o=-1.6!,f=0.13) USER MOD Single : A 80 LYS NZ :NH3+ 141:sc= -0.0511 (180deg=-0.701) USER MOD Single : A 81 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-5.3!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 41:sc= 0.801 USER MOD Single : A 91 SER OG : rot -115:sc= 1.31 USER MOD Single : A 92 CYS SG : rot 180:sc= -4.05! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -1.27 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0207 K(o=-0.021,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -18.086 -0.587 6.571 1.00 0.00 N ATOM 81 CA ALA A 9 -18.119 -1.910 5.960 1.00 0.00 C ATOM 82 C ALA A 9 -17.412 -2.938 6.836 1.00 0.00 C ATOM 83 O ALA A 9 -16.725 -2.583 7.794 1.00 0.00 O ATOM 84 CB ALA A 9 -17.486 -1.868 4.577 1.00 0.00 C ATOM 0 HA ALA A 9 -19.162 -2.211 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.517 -2.863 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.037 -1.171 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.450 -1.541 4.661 1.00 0.00 H new ATOM 90 N ARG A 10 -17.585 -4.213 6.502 1.00 0.00 N ATOM 91 CA ARG A 10 -16.964 -5.292 7.261 1.00 0.00 C ATOM 92 C ARG A 10 -15.836 -5.938 6.463 1.00 0.00 C ATOM 93 O ARG A 10 -15.901 -6.029 5.236 1.00 0.00 O ATOM 94 CB ARG A 10 -18.008 -6.347 7.635 1.00 0.00 C ATOM 95 CG ARG A 10 -19.016 -5.867 8.666 1.00 0.00 C ATOM 96 CD ARG A 10 -19.796 -7.028 9.263 1.00 0.00 C ATOM 97 NE ARG A 10 -20.521 -6.636 10.469 1.00 0.00 N ATOM 98 CZ ARG A 10 -19.935 -6.418 11.641 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.622 -6.552 11.764 1.00 0.00 N ATOM 100 NH2 ARG A 10 -20.663 -6.065 12.693 1.00 0.00 N ATOM 0 H ARG A 10 -18.150 -4.524 5.711 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.544 -4.867 8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.540 -6.655 6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.498 -7.230 8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.498 -5.328 9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.707 -5.163 8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.501 -7.410 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.111 -7.842 9.500 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.533 -6.523 10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.059 -6.823 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.174 -6.384 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.674 -5.961 12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.212 -5.898 13.592 1.00 0.00 H new ATOM 114 N LEU A 11 -14.802 -6.386 7.166 1.00 0.00 N ATOM 115 CA LEU A 11 -13.658 -7.023 6.524 1.00 0.00 C ATOM 116 C LEU A 11 -13.981 -8.464 6.142 1.00 0.00 C ATOM 117 O LEU A 11 -14.081 -9.338 7.004 1.00 0.00 O ATOM 118 CB LEU A 11 -12.442 -6.990 7.452 1.00 0.00 C ATOM 119 CG LEU A 11 -11.130 -7.504 6.859 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.833 -6.810 5.539 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.985 -7.300 7.840 1.00 0.00 C ATOM 0 H LEU A 11 -14.732 -6.320 8.181 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.428 -6.468 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.290 -5.962 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.672 -7.579 8.340 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.233 -8.572 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.895 -7.189 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.641 -7.008 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.750 -5.736 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.059 -7.672 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.881 -6.238 8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.194 -7.844 8.761 1.00 0.00 H new ATOM 133 N VAL A 12 -14.140 -8.706 4.845 1.00 0.00 N ATOM 134 CA VAL A 12 -14.448 -10.042 4.349 1.00 0.00 C ATOM 135 C VAL A 12 -13.184 -10.885 4.217 1.00 0.00 C ATOM 136 O VAL A 12 -13.217 -12.103 4.389 1.00 0.00 O ATOM 137 CB VAL A 12 -15.157 -9.984 2.983 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.325 -11.382 2.408 1.00 0.00 C ATOM 139 CG2 VAL A 12 -16.503 -9.286 3.112 1.00 0.00 C ATOM 0 H VAL A 12 -14.061 -7.994 4.119 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.115 -10.503 5.077 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.538 -9.407 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.828 -11.320 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.345 -11.842 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.922 -11.987 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.991 -9.253 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.131 -9.834 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.352 -8.270 3.476 1.00 0.00 H new ATOM 149 N ALA A 13 -12.071 -10.227 3.910 1.00 0.00 N ATOM 150 CA ALA A 13 -10.795 -10.915 3.758 1.00 0.00 C ATOM 151 C ALA A 13 -9.626 -9.961 3.984 1.00 0.00 C ATOM 152 O ALA A 13 -9.315 -9.132 3.130 1.00 0.00 O ATOM 153 CB ALA A 13 -10.699 -11.551 2.379 1.00 0.00 C ATOM 0 H ALA A 13 -12.027 -9.219 3.762 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.742 -11.699 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.741 -12.061 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.508 -12.270 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.779 -10.777 1.615 1.00 0.00 H new ATOM 159 N GLY A 14 -8.984 -10.084 5.142 1.00 0.00 N ATOM 160 CA GLY A 14 -7.858 -9.226 5.459 1.00 0.00 C ATOM 161 C GLY A 14 -6.738 -9.339 4.444 1.00 0.00 C ATOM 162 O GLY A 14 -6.805 -10.153 3.522 1.00 0.00 O ATOM 0 H GLY A 14 -9.224 -10.762 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.197 -8.191 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.476 -9.483 6.447 1.00 0.00 H new ATOM 166 N LEU A 15 -5.706 -8.519 4.610 1.00 0.00 N ATOM 167 CA LEU A 15 -4.566 -8.529 3.700 1.00 0.00 C ATOM 168 C LEU A 15 -3.721 -9.783 3.898 1.00 0.00 C ATOM 169 O LEU A 15 -4.049 -10.639 4.719 1.00 0.00 O ATOM 170 CB LEU A 15 -3.707 -7.282 3.913 1.00 0.00 C ATOM 171 CG LEU A 15 -4.340 -5.951 3.504 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.785 -4.814 4.348 1.00 0.00 C ATOM 173 CD2 LEU A 15 -4.108 -5.683 2.025 1.00 0.00 C ATOM 0 H LEU A 15 -5.635 -7.839 5.367 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.948 -8.529 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.440 -7.225 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.778 -7.406 3.356 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.414 -6.013 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.247 -3.875 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.004 -5.001 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.706 -4.750 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.565 -4.732 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.037 -5.641 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.555 -6.483 1.436 1.00 0.00 H new ATOM 185 N GLU A 16 -2.632 -9.883 3.142 1.00 0.00 N ATOM 186 CA GLU A 16 -1.740 -11.032 3.237 1.00 0.00 C ATOM 187 C GLU A 16 -0.280 -10.587 3.256 1.00 0.00 C ATOM 188 O GLU A 16 0.043 -9.464 2.870 1.00 0.00 O ATOM 189 CB GLU A 16 -1.978 -11.988 2.067 1.00 0.00 C ATOM 190 CG GLU A 16 -3.407 -12.495 1.975 1.00 0.00 C ATOM 191 CD GLU A 16 -3.777 -12.948 0.577 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.266 -14.001 0.140 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.578 -12.251 -0.082 1.00 0.00 O ATOM 0 H GLU A 16 -2.347 -9.183 2.458 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.956 -11.551 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.721 -11.481 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.305 -12.840 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.539 -13.325 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.089 -11.705 2.289 1.00 0.00 H new ATOM 200 N ASP A 17 0.597 -11.477 3.709 1.00 0.00 N ATOM 201 CA ASP A 17 2.022 -11.177 3.779 1.00 0.00 C ATOM 202 C ASP A 17 2.676 -11.322 2.408 1.00 0.00 C ATOM 203 O ASP A 17 2.406 -12.276 1.677 1.00 0.00 O ATOM 204 CB ASP A 17 2.710 -12.101 4.785 1.00 0.00 C ATOM 205 CG ASP A 17 2.477 -13.567 4.479 1.00 0.00 C ATOM 206 OD1 ASP A 17 1.300 -13.972 4.379 1.00 0.00 O ATOM 207 OD2 ASP A 17 3.471 -14.309 4.340 1.00 0.00 O ATOM 0 H ASP A 17 0.346 -12.411 4.033 1.00 0.00 H new ATOM 0 HA ASP A 17 2.135 -10.144 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.781 -11.899 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.343 -11.879 5.787 1.00 0.00 H new ATOM 212 N VAL A 18 3.535 -10.368 2.064 1.00 0.00 N ATOM 213 CA VAL A 18 4.227 -10.389 0.781 1.00 0.00 C ATOM 214 C VAL A 18 5.693 -10.003 0.941 1.00 0.00 C ATOM 215 O VAL A 18 6.046 -9.219 1.822 1.00 0.00 O ATOM 216 CB VAL A 18 3.564 -9.435 -0.231 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.248 -9.533 -1.585 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.078 -9.737 -0.351 1.00 0.00 C ATOM 0 H VAL A 18 3.768 -9.571 2.656 1.00 0.00 H new ATOM 0 HA VAL A 18 4.162 -11.409 0.403 1.00 0.00 H new ATOM 0 HB VAL A 18 3.676 -8.413 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.766 -8.852 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.299 -9.263 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.170 -10.554 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.625 -9.054 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.942 -10.764 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.601 -9.610 0.621 1.00 0.00 H new ATOM 228 N GLN A 19 6.543 -10.557 0.082 1.00 0.00 N ATOM 229 CA GLN A 19 7.972 -10.270 0.129 1.00 0.00 C ATOM 230 C GLN A 19 8.573 -10.271 -1.273 1.00 0.00 C ATOM 231 O GLN A 19 8.340 -11.189 -2.059 1.00 0.00 O ATOM 232 CB GLN A 19 8.691 -11.296 1.006 1.00 0.00 C ATOM 233 CG GLN A 19 8.983 -12.607 0.294 1.00 0.00 C ATOM 234 CD GLN A 19 9.745 -13.587 1.164 1.00 0.00 C ATOM 235 OE1 GLN A 19 10.812 -14.071 0.786 1.00 0.00 O ATOM 236 NE2 GLN A 19 9.199 -13.885 2.338 1.00 0.00 N ATOM 0 H GLN A 19 6.267 -11.207 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 19 8.104 -9.278 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.629 -10.867 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.082 -11.498 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.044 -13.061 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.559 -12.405 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.313 -13.460 2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.666 -14.539 2.966 1.00 0.00 H new ATOM 245 N VAL A 20 9.348 -9.236 -1.580 1.00 0.00 N ATOM 246 CA VAL A 20 9.984 -9.117 -2.887 1.00 0.00 C ATOM 247 C VAL A 20 11.391 -8.543 -2.763 1.00 0.00 C ATOM 248 O VAL A 20 11.698 -7.823 -1.812 1.00 0.00 O ATOM 249 CB VAL A 20 9.158 -8.226 -3.834 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.767 -8.806 -4.035 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.080 -6.805 -3.295 1.00 0.00 C ATOM 0 H VAL A 20 9.551 -8.467 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 20 10.041 -10.122 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 20 9.656 -8.196 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.198 -8.163 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.848 -9.803 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.257 -8.869 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.493 -6.189 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.606 -6.814 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.085 -6.393 -3.208 1.00 0.00 H new ATOM 261 N TYR A 21 12.242 -8.864 -3.731 1.00 0.00 N ATOM 262 CA TYR A 21 13.618 -8.382 -3.730 1.00 0.00 C ATOM 263 C TYR A 21 13.685 -6.925 -4.179 1.00 0.00 C ATOM 264 O TYR A 21 12.766 -6.421 -4.826 1.00 0.00 O ATOM 265 CB TYR A 21 14.485 -9.249 -4.644 1.00 0.00 C ATOM 266 CG TYR A 21 14.886 -10.569 -4.024 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.984 -11.622 -3.941 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.167 -10.762 -3.521 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.346 -12.830 -3.375 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.538 -11.966 -2.954 1.00 0.00 C ATOM 271 CZ TYR A 21 15.624 -12.996 -2.884 1.00 0.00 C ATOM 272 OH TYR A 21 15.989 -14.197 -2.319 1.00 0.00 O ATOM 0 H TYR A 21 12.003 -9.456 -4.527 1.00 0.00 H new ATOM 0 HA TYR A 21 13.998 -8.447 -2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.943 -9.442 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.385 -8.694 -4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.983 -11.495 -4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.885 -9.957 -3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.633 -13.639 -3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.538 -12.100 -2.568 1.00 0.00 H new ATOM 0 HH TYR A 21 16.922 -14.149 -2.024 1.00 0.00 H new ATOM 282 N ASP A 22 14.778 -6.256 -3.832 1.00 0.00 N ATOM 283 CA ASP A 22 14.968 -4.858 -4.201 1.00 0.00 C ATOM 284 C ASP A 22 14.740 -4.653 -5.695 1.00 0.00 C ATOM 285 O ASP A 22 15.115 -5.494 -6.511 1.00 0.00 O ATOM 286 CB ASP A 22 16.374 -4.394 -3.818 1.00 0.00 C ATOM 287 CG ASP A 22 17.399 -4.709 -4.890 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.246 -4.207 -6.024 1.00 0.00 O ATOM 289 OD2 ASP A 22 18.354 -5.457 -4.595 1.00 0.00 O ATOM 0 H ASP A 22 15.546 -6.659 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 22 14.236 -4.262 -3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.362 -3.319 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.670 -4.873 -2.884 1.00 0.00 H new ATOM 294 N GLY A 23 14.122 -3.530 -6.046 1.00 0.00 N ATOM 295 CA GLY A 23 13.853 -3.236 -7.442 1.00 0.00 C ATOM 296 C GLY A 23 12.601 -3.924 -7.949 1.00 0.00 C ATOM 297 O GLY A 23 11.977 -3.464 -8.904 1.00 0.00 O ATOM 0 H GLY A 23 13.803 -2.818 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.749 -2.159 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.705 -3.547 -8.046 1.00 0.00 H new ATOM 301 N GLU A 24 12.235 -5.030 -7.309 1.00 0.00 N ATOM 302 CA GLU A 24 11.051 -5.784 -7.703 1.00 0.00 C ATOM 303 C GLU A 24 9.780 -4.990 -7.415 1.00 0.00 C ATOM 304 O GLU A 24 9.839 -3.843 -6.973 1.00 0.00 O ATOM 305 CB GLU A 24 11.005 -7.126 -6.969 1.00 0.00 C ATOM 306 CG GLU A 24 12.233 -7.989 -7.202 1.00 0.00 C ATOM 307 CD GLU A 24 12.458 -8.300 -8.669 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.533 -8.839 -9.310 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.561 -8.004 -9.175 1.00 0.00 O ATOM 0 H GLU A 24 12.741 -5.424 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 24 11.109 -5.967 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.898 -6.942 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.119 -7.675 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.111 -7.480 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.127 -8.922 -6.649 1.00 0.00 H new ATOM 316 N ASP A 25 8.633 -5.609 -7.670 1.00 0.00 N ATOM 317 CA ASP A 25 7.347 -4.962 -7.437 1.00 0.00 C ATOM 318 C ASP A 25 6.558 -5.693 -6.355 1.00 0.00 C ATOM 319 O ASP A 25 6.586 -6.920 -6.275 1.00 0.00 O ATOM 320 CB ASP A 25 6.535 -4.914 -8.733 1.00 0.00 C ATOM 321 CG ASP A 25 6.691 -6.174 -9.561 1.00 0.00 C ATOM 322 OD1 ASP A 25 7.646 -6.242 -10.362 1.00 0.00 O ATOM 323 OD2 ASP A 25 5.857 -7.091 -9.410 1.00 0.00 O ATOM 0 H ASP A 25 8.567 -6.558 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 25 7.537 -3.944 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.482 -4.768 -8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.849 -4.053 -9.324 1.00 0.00 H new ATOM 328 N ALA A 26 5.856 -4.929 -5.524 1.00 0.00 N ATOM 329 CA ALA A 26 5.059 -5.503 -4.447 1.00 0.00 C ATOM 330 C ALA A 26 3.580 -5.538 -4.817 1.00 0.00 C ATOM 331 O ALA A 26 3.117 -4.749 -5.641 1.00 0.00 O ATOM 332 CB ALA A 26 5.266 -4.718 -3.161 1.00 0.00 C ATOM 0 H ALA A 26 5.823 -3.911 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 26 5.391 -6.529 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.665 -5.158 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.319 -4.750 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.963 -3.682 -3.314 1.00 0.00 H new ATOM 338 N VAL A 27 2.843 -6.457 -4.203 1.00 0.00 N ATOM 339 CA VAL A 27 1.415 -6.594 -4.467 1.00 0.00 C ATOM 340 C VAL A 27 0.634 -6.794 -3.174 1.00 0.00 C ATOM 341 O VAL A 27 0.951 -7.674 -2.373 1.00 0.00 O ATOM 342 CB VAL A 27 1.131 -7.775 -5.414 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.355 -7.862 -5.728 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.947 -7.642 -6.691 1.00 0.00 C ATOM 0 H VAL A 27 3.211 -7.118 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 27 1.091 -5.669 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 27 1.427 -8.698 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.537 -8.702 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.914 -8.008 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.680 -6.939 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.734 -8.485 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.684 -6.712 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.009 -7.633 -6.445 1.00 0.00 H new ATOM 354 N PHE A 28 -0.391 -5.972 -2.975 1.00 0.00 N ATOM 355 CA PHE A 28 -1.220 -6.058 -1.778 1.00 0.00 C ATOM 356 C PHE A 28 -2.675 -5.730 -2.099 1.00 0.00 C ATOM 357 O PHE A 28 -2.963 -4.769 -2.811 1.00 0.00 O ATOM 358 CB PHE A 28 -0.696 -5.106 -0.700 1.00 0.00 C ATOM 359 CG PHE A 28 0.715 -5.398 -0.277 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.992 -6.454 0.577 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.765 -4.617 -0.732 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.289 -6.726 0.968 1.00 0.00 C ATOM 363 CE2 PHE A 28 3.064 -4.884 -0.344 1.00 0.00 C ATOM 364 CZ PHE A 28 3.327 -5.939 0.508 1.00 0.00 C ATOM 0 H PHE A 28 -0.668 -5.238 -3.627 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.171 -7.081 -1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.751 -4.083 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.348 -5.163 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.184 -7.072 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.566 -3.790 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.491 -7.553 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.874 -4.268 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.342 -6.148 0.814 1.00 0.00 H new ATOM 374 N SER A 29 -3.588 -6.537 -1.567 1.00 0.00 N ATOM 375 CA SER A 29 -5.014 -6.336 -1.800 1.00 0.00 C ATOM 376 C SER A 29 -5.843 -7.040 -0.730 1.00 0.00 C ATOM 377 O SER A 29 -5.350 -7.923 -0.027 1.00 0.00 O ATOM 378 CB SER A 29 -5.403 -6.852 -3.186 1.00 0.00 C ATOM 379 OG SER A 29 -5.205 -8.252 -3.283 1.00 0.00 O ATOM 0 H SER A 29 -3.366 -7.335 -0.972 1.00 0.00 H new ATOM 0 HA SER A 29 -5.219 -5.267 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.448 -6.615 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.810 -6.344 -3.946 1.00 0.00 H new ATOM 0 HG SER A 29 -5.463 -8.558 -4.178 1.00 0.00 H new ATOM 385 N LEU A 30 -7.105 -6.644 -0.614 1.00 0.00 N ATOM 386 CA LEU A 30 -8.006 -7.237 0.370 1.00 0.00 C ATOM 387 C LEU A 30 -9.425 -7.332 -0.180 1.00 0.00 C ATOM 388 O LEU A 30 -9.713 -6.844 -1.273 1.00 0.00 O ATOM 389 CB LEU A 30 -7.999 -6.412 1.658 1.00 0.00 C ATOM 390 CG LEU A 30 -8.528 -4.982 1.542 1.00 0.00 C ATOM 391 CD1 LEU A 30 -10.026 -4.945 1.798 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.797 -4.063 2.511 1.00 0.00 C ATOM 0 H LEU A 30 -7.529 -5.915 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.654 -8.245 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.592 -6.938 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.977 -6.371 2.034 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.344 -4.628 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.385 -3.919 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.536 -5.571 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.233 -5.318 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.186 -3.049 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.949 -4.415 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.731 -4.066 2.281 1.00 0.00 H new ATOM 404 N ASP A 31 -10.310 -7.961 0.587 1.00 0.00 N ATOM 405 CA ASP A 31 -11.701 -8.117 0.179 1.00 0.00 C ATOM 406 C ASP A 31 -12.643 -7.527 1.223 1.00 0.00 C ATOM 407 O ASP A 31 -12.363 -7.568 2.422 1.00 0.00 O ATOM 408 CB ASP A 31 -12.027 -9.595 -0.043 1.00 0.00 C ATOM 409 CG ASP A 31 -11.121 -10.239 -1.074 1.00 0.00 C ATOM 410 OD1 ASP A 31 -11.106 -9.766 -2.230 1.00 0.00 O ATOM 411 OD2 ASP A 31 -10.426 -11.216 -0.725 1.00 0.00 O ATOM 0 H ASP A 31 -10.088 -8.371 1.494 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.842 -7.577 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.935 -10.130 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.064 -9.691 -0.364 1.00 0.00 H new ATOM 416 N LEU A 32 -13.760 -6.977 0.761 1.00 0.00 N ATOM 417 CA LEU A 32 -14.744 -6.377 1.655 1.00 0.00 C ATOM 418 C LEU A 32 -16.154 -6.840 1.303 1.00 0.00 C ATOM 419 O LEU A 32 -16.389 -7.382 0.223 1.00 0.00 O ATOM 420 CB LEU A 32 -14.664 -4.851 1.584 1.00 0.00 C ATOM 421 CG LEU A 32 -13.278 -4.241 1.801 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.320 -2.735 1.596 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.759 -4.578 3.191 1.00 0.00 C ATOM 0 H LEU A 32 -14.007 -6.934 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.518 -6.700 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.030 -4.533 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.342 -4.436 2.330 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.595 -4.668 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.325 -2.318 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.648 -2.515 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.017 -2.290 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.772 -4.136 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.442 -4.180 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.690 -5.660 3.301 1.00 0.00 H new ATOM 435 N SER A 33 -17.091 -6.620 2.220 1.00 0.00 N ATOM 436 CA SER A 33 -18.478 -7.016 2.007 1.00 0.00 C ATOM 437 C SER A 33 -19.231 -5.951 1.216 1.00 0.00 C ATOM 438 O SER A 33 -20.216 -6.245 0.537 1.00 0.00 O ATOM 439 CB SER A 33 -19.173 -7.258 3.348 1.00 0.00 C ATOM 440 OG SER A 33 -20.353 -8.024 3.180 1.00 0.00 O ATOM 0 H SER A 33 -16.914 -6.169 3.118 1.00 0.00 H new ATOM 0 HA SER A 33 -18.482 -7.942 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.493 -7.775 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.419 -6.303 3.811 1.00 0.00 H new ATOM 0 HG SER A 33 -20.778 -8.166 4.052 1.00 0.00 H new ATOM 446 N THR A 34 -18.762 -4.711 1.308 1.00 0.00 N ATOM 447 CA THR A 34 -19.390 -3.601 0.603 1.00 0.00 C ATOM 448 C THR A 34 -18.393 -2.476 0.349 1.00 0.00 C ATOM 449 O THR A 34 -17.303 -2.459 0.922 1.00 0.00 O ATOM 450 CB THR A 34 -20.589 -3.041 1.392 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.382 -2.201 0.546 1.00 0.00 O ATOM 452 CG2 THR A 34 -20.118 -2.250 2.603 1.00 0.00 C ATOM 0 H THR A 34 -17.948 -4.450 1.865 1.00 0.00 H new ATOM 0 HA THR A 34 -19.743 -3.992 -0.351 1.00 0.00 H new ATOM 0 HB THR A 34 -21.192 -3.880 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.143 -1.850 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.982 -1.865 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.539 -2.900 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.495 -1.418 2.274 1.00 0.00 H new ATOM 460 N ILE A 35 -18.773 -1.538 -0.512 1.00 0.00 N ATOM 461 CA ILE A 35 -17.913 -0.408 -0.839 1.00 0.00 C ATOM 462 C ILE A 35 -17.610 0.430 0.398 1.00 0.00 C ATOM 463 O ILE A 35 -18.425 0.513 1.318 1.00 0.00 O ATOM 464 CB ILE A 35 -18.551 0.493 -1.912 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.958 -0.337 -3.131 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.588 1.599 -2.316 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.791 0.430 -4.134 1.00 0.00 C ATOM 0 H ILE A 35 -19.671 -1.538 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.984 -0.823 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.447 0.952 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.059 -0.707 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.520 -1.209 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.054 2.227 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.343 2.205 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.676 1.158 -2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.043 -0.221 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.707 0.777 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.224 1.287 -4.498 1.00 0.00 H new ATOM 479 N ILE A 36 -16.435 1.050 0.413 1.00 0.00 N ATOM 480 CA ILE A 36 -16.027 1.884 1.537 1.00 0.00 C ATOM 481 C ILE A 36 -14.801 2.720 1.184 1.00 0.00 C ATOM 482 O ILE A 36 -13.919 2.267 0.456 1.00 0.00 O ATOM 483 CB ILE A 36 -15.713 1.035 2.783 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.511 1.937 4.003 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.481 0.176 2.543 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.683 1.216 5.322 1.00 0.00 C ATOM 0 H ILE A 36 -15.749 0.991 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.864 2.546 1.759 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.559 0.375 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.512 2.371 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.220 2.764 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.273 -0.418 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.660 -0.488 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.627 0.817 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.526 1.916 6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.691 0.805 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.957 0.406 5.392 1.00 0.00 H new ATOM 498 N GLN A 37 -14.754 3.941 1.706 1.00 0.00 N ATOM 499 CA GLN A 37 -13.636 4.840 1.447 1.00 0.00 C ATOM 500 C GLN A 37 -12.539 4.660 2.491 1.00 0.00 C ATOM 501 O GLN A 37 -12.645 5.160 3.610 1.00 0.00 O ATOM 502 CB GLN A 37 -14.114 6.293 1.438 1.00 0.00 C ATOM 503 CG GLN A 37 -13.097 7.265 0.861 1.00 0.00 C ATOM 504 CD GLN A 37 -13.735 8.535 0.335 1.00 0.00 C ATOM 505 OE1 GLN A 37 -14.089 9.430 1.104 1.00 0.00 O ATOM 506 NE2 GLN A 37 -13.887 8.620 -0.981 1.00 0.00 N ATOM 0 H GLN A 37 -15.477 4.330 2.311 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.224 4.594 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -15.036 6.360 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.354 6.594 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.368 7.521 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.551 6.777 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.579 7.854 -1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.312 9.451 -1.393 1.00 0.00 H new ATOM 515 N GLY A 38 -11.485 3.941 2.116 1.00 0.00 N ATOM 516 CA GLY A 38 -10.384 3.707 3.032 1.00 0.00 C ATOM 517 C GLY A 38 -9.140 4.487 2.655 1.00 0.00 C ATOM 518 O GLY A 38 -9.170 5.317 1.745 1.00 0.00 O ATOM 0 H GLY A 38 -11.374 3.517 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.690 3.983 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.150 2.643 3.050 1.00 0.00 H new ATOM 522 N THR A 39 -8.042 4.224 3.357 1.00 0.00 N ATOM 523 CA THR A 39 -6.784 4.909 3.093 1.00 0.00 C ATOM 524 C THR A 39 -5.606 3.945 3.169 1.00 0.00 C ATOM 525 O THR A 39 -5.590 3.034 3.998 1.00 0.00 O ATOM 526 CB THR A 39 -6.553 6.063 4.087 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.686 6.938 4.094 1.00 0.00 O ATOM 528 CG2 THR A 39 -5.302 6.848 3.724 1.00 0.00 C ATOM 0 H THR A 39 -7.999 3.541 4.113 1.00 0.00 H new ATOM 0 HA THR A 39 -6.852 5.316 2.084 1.00 0.00 H new ATOM 0 HB THR A 39 -6.419 5.635 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.532 7.668 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.160 7.657 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.437 6.186 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.412 7.264 2.723 1.00 0.00 H new ATOM 536 N TRP A 40 -4.622 4.151 2.302 1.00 0.00 N ATOM 537 CA TRP A 40 -3.438 3.298 2.272 1.00 0.00 C ATOM 538 C TRP A 40 -2.332 3.871 3.151 1.00 0.00 C ATOM 539 O TRP A 40 -2.094 5.079 3.157 1.00 0.00 O ATOM 540 CB TRP A 40 -2.935 3.140 0.836 1.00 0.00 C ATOM 541 CG TRP A 40 -3.658 2.076 0.067 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.529 2.262 -0.968 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.574 0.662 0.275 1.00 0.00 C ATOM 544 NE1 TRP A 40 -4.991 1.048 -1.417 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.420 0.051 -0.672 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.866 -0.148 1.166 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.576 -1.330 -0.749 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.021 -1.519 1.088 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.870 -2.099 0.136 1.00 0.00 C ATOM 0 H TRP A 40 -4.619 4.901 1.610 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.716 2.319 2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.042 4.091 0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.871 2.905 0.855 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.813 3.222 -1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.652 0.912 -2.182 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.209 0.290 1.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.231 -1.779 -1.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.479 -2.154 1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.969 -3.174 0.100 1.00 0.00 H new ATOM 560 N PHE A 41 -1.659 2.998 3.893 1.00 0.00 N ATOM 561 CA PHE A 41 -0.579 3.418 4.777 1.00 0.00 C ATOM 562 C PHE A 41 0.735 2.745 4.388 1.00 0.00 C ATOM 563 O PHE A 41 0.743 1.734 3.685 1.00 0.00 O ATOM 564 CB PHE A 41 -0.923 3.088 6.231 1.00 0.00 C ATOM 565 CG PHE A 41 -1.755 4.142 6.904 1.00 0.00 C ATOM 566 CD1 PHE A 41 -3.014 4.461 6.423 1.00 0.00 C ATOM 567 CD2 PHE A 41 -1.277 4.814 8.018 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.781 5.432 7.040 1.00 0.00 C ATOM 569 CE2 PHE A 41 -2.040 5.784 8.639 1.00 0.00 C ATOM 570 CZ PHE A 41 -3.294 6.093 8.150 1.00 0.00 C ATOM 0 H PHE A 41 -1.843 1.995 3.899 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.459 4.497 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.458 2.139 6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.001 2.952 6.793 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.401 3.946 5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.297 4.577 8.405 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.760 5.673 6.654 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.656 6.300 9.506 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.892 6.850 8.635 1.00 0.00 H new ATOM 580 N LEU A 42 1.843 3.313 4.851 1.00 0.00 N ATOM 581 CA LEU A 42 3.163 2.770 4.552 1.00 0.00 C ATOM 582 C LEU A 42 4.090 2.898 5.757 1.00 0.00 C ATOM 583 O LEU A 42 4.275 3.988 6.297 1.00 0.00 O ATOM 584 CB LEU A 42 3.772 3.489 3.347 1.00 0.00 C ATOM 585 CG LEU A 42 5.222 3.134 3.015 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.319 1.703 2.509 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.787 4.105 1.988 1.00 0.00 C ATOM 0 H LEU A 42 1.853 4.149 5.435 1.00 0.00 H new ATOM 0 HA LEU A 42 3.048 1.712 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.157 3.275 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.713 4.563 3.522 1.00 0.00 H new ATOM 0 HG LEU A 42 5.814 3.216 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.358 1.468 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.955 1.020 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.714 1.593 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.820 3.837 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.193 4.056 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.754 5.118 2.388 1.00 0.00 H new ATOM 599 N ASN A 43 4.673 1.777 6.170 1.00 0.00 N ATOM 600 CA ASN A 43 5.583 1.765 7.310 1.00 0.00 C ATOM 601 C ASN A 43 4.922 2.381 8.540 1.00 0.00 C ATOM 602 O ASN A 43 5.598 2.914 9.419 1.00 0.00 O ATOM 603 CB ASN A 43 6.867 2.525 6.973 1.00 0.00 C ATOM 604 CG ASN A 43 7.932 1.625 6.376 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.507 0.784 7.067 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.200 1.800 5.088 1.00 0.00 N ATOM 0 H ASN A 43 4.532 0.866 5.733 1.00 0.00 H new ATOM 0 HA ASN A 43 5.831 0.728 7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.638 3.327 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.256 2.994 7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.908 1.225 4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.698 2.510 4.554 1.00 0.00 H new ATOM 613 N GLY A 44 3.596 2.301 8.595 1.00 0.00 N ATOM 614 CA GLY A 44 2.866 2.854 9.721 1.00 0.00 C ATOM 615 C GLY A 44 2.304 4.231 9.429 1.00 0.00 C ATOM 616 O GLY A 44 1.275 4.618 9.982 1.00 0.00 O ATOM 0 H GLY A 44 3.015 1.863 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.051 2.181 9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.527 2.911 10.586 1.00 0.00 H new ATOM 620 N GLU A 45 2.982 4.972 8.558 1.00 0.00 N ATOM 621 CA GLU A 45 2.544 6.315 8.195 1.00 0.00 C ATOM 622 C GLU A 45 1.421 6.261 7.164 1.00 0.00 C ATOM 623 O GLU A 45 1.062 5.189 6.678 1.00 0.00 O ATOM 624 CB GLU A 45 3.719 7.127 7.645 1.00 0.00 C ATOM 625 CG GLU A 45 3.816 7.106 6.129 1.00 0.00 C ATOM 626 CD GLU A 45 4.943 7.975 5.604 1.00 0.00 C ATOM 627 OE1 GLU A 45 4.825 9.215 5.692 1.00 0.00 O ATOM 628 OE2 GLU A 45 5.941 7.415 5.106 1.00 0.00 O ATOM 0 H GLU A 45 3.836 4.666 8.091 1.00 0.00 H new ATOM 0 HA GLU A 45 2.165 6.801 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.625 8.160 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.647 6.739 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.966 6.080 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.872 7.446 5.704 1.00 0.00 H new ATOM 635 N GLU A 46 0.871 7.426 6.835 1.00 0.00 N ATOM 636 CA GLU A 46 -0.212 7.511 5.863 1.00 0.00 C ATOM 637 C GLU A 46 0.301 8.027 4.521 1.00 0.00 C ATOM 638 O GLU A 46 1.048 9.005 4.464 1.00 0.00 O ATOM 639 CB GLU A 46 -1.323 8.426 6.382 1.00 0.00 C ATOM 640 CG GLU A 46 -2.547 8.469 5.483 1.00 0.00 C ATOM 641 CD GLU A 46 -3.664 9.319 6.057 1.00 0.00 C ATOM 642 OE1 GLU A 46 -4.455 8.790 6.866 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.747 10.512 5.698 1.00 0.00 O ATOM 0 H GLU A 46 1.158 8.323 7.227 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.615 6.509 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.624 8.091 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.928 9.436 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.262 8.861 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.912 7.454 5.325 1.00 0.00 H new ATOM 650 N LEU A 47 -0.106 7.364 3.445 1.00 0.00 N ATOM 651 CA LEU A 47 0.312 7.754 2.102 1.00 0.00 C ATOM 652 C LEU A 47 -0.467 8.975 1.623 1.00 0.00 C ATOM 653 O LEU A 47 -1.633 8.871 1.241 1.00 0.00 O ATOM 654 CB LEU A 47 0.113 6.593 1.127 1.00 0.00 C ATOM 655 CG LEU A 47 1.125 5.451 1.228 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.604 4.212 0.515 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.467 5.876 0.651 1.00 0.00 C ATOM 0 H LEU A 47 -0.725 6.554 3.475 1.00 0.00 H new ATOM 0 HA LEU A 47 1.370 8.012 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.885 6.182 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.142 6.988 0.112 1.00 0.00 H new ATOM 0 HG LEU A 47 1.266 5.207 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.337 3.410 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.333 3.896 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.434 4.442 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.175 5.051 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.343 6.147 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.846 6.735 1.205 1.00 0.00 H new ATOM 910 N ARG A 64 0.732 2.168 -7.621 1.00 0.00 N ATOM 911 CA ARG A 64 -0.574 2.229 -8.267 1.00 0.00 C ATOM 912 C ARG A 64 -1.685 1.881 -7.282 1.00 0.00 C ATOM 913 O ARG A 64 -1.805 0.736 -6.845 1.00 0.00 O ATOM 914 CB ARG A 64 -0.620 1.275 -9.462 1.00 0.00 C ATOM 915 CG ARG A 64 -1.705 1.614 -10.471 1.00 0.00 C ATOM 916 CD ARG A 64 -2.016 0.431 -11.373 1.00 0.00 C ATOM 917 NE ARG A 64 -1.129 0.377 -12.532 1.00 0.00 N ATOM 918 CZ ARG A 64 -1.376 -0.352 -13.614 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.478 -1.086 -13.686 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.520 -0.349 -14.628 1.00 0.00 N ATOM 0 HA ARG A 64 -0.730 3.249 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.348 1.288 -9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.778 0.259 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.610 1.920 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.387 2.462 -11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.924 -0.493 -10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.050 0.495 -11.711 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.272 0.930 -12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.139 -1.092 -12.909 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.665 -1.645 -14.518 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.329 0.214 -14.577 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.711 -0.910 -15.458 1.00 0.00 H new ATOM 934 N ILE A 65 -2.495 2.876 -6.935 1.00 0.00 N ATOM 935 CA ILE A 65 -3.597 2.674 -6.002 1.00 0.00 C ATOM 936 C ILE A 65 -4.887 2.335 -6.740 1.00 0.00 C ATOM 937 O ILE A 65 -5.495 3.197 -7.375 1.00 0.00 O ATOM 938 CB ILE A 65 -3.830 3.921 -5.129 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.637 4.149 -4.199 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.113 3.772 -4.326 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.590 5.540 -3.607 1.00 0.00 C ATOM 0 H ILE A 65 -2.409 3.830 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.319 1.838 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.930 4.789 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.673 3.420 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.716 3.967 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.264 4.661 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.956 3.652 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.039 2.896 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.719 5.630 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.523 6.275 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.495 5.719 -3.026 1.00 0.00 H new ATOM 953 N GLU A 66 -5.301 1.075 -6.651 1.00 0.00 N ATOM 954 CA GLU A 66 -6.521 0.623 -7.310 1.00 0.00 C ATOM 955 C GLU A 66 -7.632 0.382 -6.292 1.00 0.00 C ATOM 956 O GLU A 66 -7.472 -0.407 -5.360 1.00 0.00 O ATOM 957 CB GLU A 66 -6.254 -0.657 -8.104 1.00 0.00 C ATOM 958 CG GLU A 66 -5.109 -0.531 -9.094 1.00 0.00 C ATOM 959 CD GLU A 66 -5.271 -1.447 -10.292 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.417 -1.623 -10.755 1.00 0.00 O ATOM 961 OE2 GLU A 66 -4.250 -1.988 -10.766 1.00 0.00 O ATOM 0 H GLU A 66 -4.810 0.349 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.845 1.406 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.034 -1.467 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.160 -0.936 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.042 0.501 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.170 -0.761 -8.590 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.642 -2.883 -2.834 1.00 0.00 N ATOM 1015 CA LEU A 70 -15.211 -3.758 -1.749 1.00 0.00 C ATOM 1016 C LEU A 70 -13.959 -4.536 -2.141 1.00 0.00 C ATOM 1017 O LEU A 70 -13.791 -5.693 -1.758 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.332 -4.729 -1.375 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.296 -5.108 -2.500 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.793 -6.534 -2.321 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.466 -4.136 -2.551 1.00 0.00 C ATOM 0 HA LEU A 70 -14.974 -3.136 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.880 -5.642 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.909 -4.290 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.759 -5.049 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.478 -6.785 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.946 -7.219 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -18.313 -6.621 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.141 -4.422 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -19.002 -4.162 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.094 -3.127 -2.730 1.00 0.00 H new ATOM 1033 N GLN A 71 -13.083 -3.891 -2.905 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.846 -4.523 -3.347 1.00 0.00 C ATOM 1035 C GLN A 71 -10.751 -3.483 -3.563 1.00 0.00 C ATOM 1036 O GLN A 71 -10.765 -2.747 -4.550 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.082 -5.307 -4.639 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.017 -6.356 -4.917 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.396 -7.285 -6.054 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -10.677 -7.396 -7.047 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -12.532 -7.960 -5.913 1.00 0.00 N ATOM 0 H GLN A 71 -13.207 -2.932 -3.230 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.520 -5.211 -2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.055 -5.795 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.120 -4.609 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.077 -5.859 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.846 -6.943 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.097 -7.837 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.839 -8.601 -6.645 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.803 -3.428 -2.633 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.699 -2.478 -2.721 1.00 0.00 C ATOM 1052 C HIS A 72 -7.388 -3.195 -3.025 1.00 0.00 C ATOM 1053 O HIS A 72 -7.225 -4.373 -2.706 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.573 -1.688 -1.418 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.856 -1.060 -0.971 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -10.064 0.303 -0.963 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -11.003 -1.617 -0.516 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -11.283 0.558 -0.521 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.874 -0.591 -0.244 1.00 0.00 N ATOM 0 H HIS A 72 -9.777 -4.030 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.911 -1.787 -3.537 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.211 -2.353 -0.634 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.822 -0.908 -1.547 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -9.383 1.005 -1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.197 -2.672 -0.390 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.721 1.538 -0.406 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.456 -2.478 -3.643 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.159 -3.047 -3.992 1.00 0.00 C ATOM 1069 C ARG A 73 -4.118 -1.948 -4.188 1.00 0.00 C ATOM 1070 O ARG A 73 -4.446 -0.834 -4.597 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.273 -3.889 -5.264 1.00 0.00 C ATOM 1072 CG ARG A 73 -3.939 -4.413 -5.769 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.124 -5.399 -6.912 1.00 0.00 C ATOM 1074 NE ARG A 73 -4.532 -4.735 -8.147 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.944 -5.385 -9.229 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.004 -6.709 -9.229 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -5.298 -4.710 -10.316 1.00 0.00 N ATOM 0 H ARG A 73 -6.574 -1.501 -3.913 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.837 -3.686 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.936 -4.733 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.738 -3.289 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.322 -3.579 -6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.404 -4.898 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.191 -5.937 -7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.874 -6.140 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.499 -3.716 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.733 -7.232 -8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.321 -7.205 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.254 -3.691 -10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.614 -5.210 -11.147 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.864 -2.270 -3.893 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.774 -1.311 -4.036 1.00 0.00 C ATOM 1093 C LEU A 74 -0.499 -2.002 -4.508 1.00 0.00 C ATOM 1094 O LEU A 74 0.121 -2.759 -3.761 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.519 -0.596 -2.708 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.274 0.289 -2.650 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.464 1.534 -3.502 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.045 0.668 -1.211 1.00 0.00 C ATOM 0 H LEU A 74 -2.576 -3.188 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.066 -0.576 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.389 0.019 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.443 -1.348 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 74 0.568 -0.275 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.432 2.152 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.643 1.243 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.318 2.101 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.934 1.298 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.796 1.213 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.226 -0.235 -0.628 1.00 0.00 H new ATOM 1110 N ILE A 75 -0.112 -1.735 -5.751 1.00 0.00 N ATOM 1111 CA ILE A 75 1.091 -2.328 -6.320 1.00 0.00 C ATOM 1112 C ILE A 75 2.249 -1.336 -6.316 1.00 0.00 C ATOM 1113 O ILE A 75 2.173 -0.274 -6.936 1.00 0.00 O ATOM 1114 CB ILE A 75 0.851 -2.814 -7.762 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.421 -3.661 -7.833 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.050 -3.606 -8.261 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.656 -2.867 -8.200 1.00 0.00 C ATOM 0 H ILE A 75 -0.615 -1.112 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 75 1.347 -3.183 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 75 0.722 -1.944 -8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.279 -4.455 -8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.582 -4.142 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.865 -3.942 -9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.937 -2.973 -8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.208 -4.471 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.520 -3.531 -8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.824 -2.090 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.516 -2.407 -9.178 1.00 0.00 H new ATOM 1129 N LEU A 76 3.321 -1.689 -5.615 1.00 0.00 N ATOM 1130 CA LEU A 76 4.497 -0.830 -5.531 1.00 0.00 C ATOM 1131 C LEU A 76 5.625 -1.364 -6.408 1.00 0.00 C ATOM 1132 O LEU A 76 6.364 -2.265 -6.008 1.00 0.00 O ATOM 1133 CB LEU A 76 4.971 -0.722 -4.081 1.00 0.00 C ATOM 1134 CG LEU A 76 3.907 -0.330 -3.055 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.336 -0.745 -1.656 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.639 1.167 -3.110 1.00 0.00 C ATOM 0 H LEU A 76 3.400 -2.564 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 76 4.219 0.161 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.396 -1.682 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.777 0.010 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 76 2.983 -0.854 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.567 -0.458 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.477 -1.825 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.273 -0.249 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.879 1.428 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.559 1.710 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.287 1.437 -4.106 1.00 0.00 H new ATOM 1148 N HIS A 77 5.753 -0.802 -7.606 1.00 0.00 N ATOM 1149 CA HIS A 77 6.794 -1.220 -8.539 1.00 0.00 C ATOM 1150 C HIS A 77 8.115 -0.525 -8.226 1.00 0.00 C ATOM 1151 O HIS A 77 8.155 0.686 -8.012 1.00 0.00 O ATOM 1152 CB HIS A 77 6.372 -0.915 -9.977 1.00 0.00 C ATOM 1153 CG HIS A 77 4.891 -0.986 -10.194 1.00 0.00 C ATOM 1154 ND1 HIS A 77 3.903 -0.132 -9.840 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.276 -2.033 -10.846 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 2.720 -0.673 -10.281 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 2.973 -1.820 -10.885 1.00 0.00 N flip ATOM 0 H HIS A 77 5.150 -0.057 -7.953 1.00 0.00 H new ATOM 0 HA HIS A 77 6.935 -2.295 -8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.723 0.081 -10.247 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.864 -1.619 -10.648 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.781 -2.893 -11.260 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.742 -0.232 -10.154 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.280 -2.436 -11.309 1.00 0.00 H new ATOM 1166 N ALA A 78 9.195 -1.301 -8.201 1.00 0.00 N ATOM 1167 CA ALA A 78 10.517 -0.760 -7.915 1.00 0.00 C ATOM 1168 C ALA A 78 10.672 -0.443 -6.431 1.00 0.00 C ATOM 1169 O ALA A 78 11.010 0.681 -6.058 1.00 0.00 O ATOM 1170 CB ALA A 78 10.770 0.486 -8.752 1.00 0.00 C ATOM 0 H ALA A 78 9.179 -2.306 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 78 11.256 -1.517 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.761 0.880 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.711 0.232 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.019 1.240 -8.518 1.00 0.00 H new ATOM 1176 N VAL A 79 10.423 -1.440 -5.589 1.00 0.00 N ATOM 1177 CA VAL A 79 10.535 -1.268 -4.145 1.00 0.00 C ATOM 1178 C VAL A 79 11.995 -1.192 -3.713 1.00 0.00 C ATOM 1179 O VAL A 79 12.876 -1.758 -4.361 1.00 0.00 O ATOM 1180 CB VAL A 79 9.845 -2.418 -3.388 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.339 -2.364 -3.592 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.405 -3.760 -3.833 1.00 0.00 C ATOM 0 H VAL A 79 10.142 -2.376 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 79 10.037 -0.331 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 79 10.047 -2.302 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.869 -3.184 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.955 -1.415 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.112 -2.454 -4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.906 -4.561 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.236 -3.888 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.475 -3.794 -3.628 1.00 0.00 H new ATOM 1192 N LYS A 80 12.245 -0.490 -2.613 1.00 0.00 N ATOM 1193 CA LYS A 80 13.598 -0.341 -2.091 1.00 0.00 C ATOM 1194 C LYS A 80 13.844 -1.305 -0.935 1.00 0.00 C ATOM 1195 O LYS A 80 12.924 -1.647 -0.192 1.00 0.00 O ATOM 1196 CB LYS A 80 13.832 1.099 -1.627 1.00 0.00 C ATOM 1197 CG LYS A 80 13.382 2.143 -2.635 1.00 0.00 C ATOM 1198 CD LYS A 80 14.099 1.980 -3.964 1.00 0.00 C ATOM 1199 CE LYS A 80 15.542 2.454 -3.881 1.00 0.00 C ATOM 1200 NZ LYS A 80 16.478 1.333 -3.589 1.00 0.00 N ATOM 0 H LYS A 80 11.527 -0.015 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 80 14.298 -0.576 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.302 1.260 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.893 1.238 -1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.306 2.062 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.573 3.140 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.076 0.933 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.573 2.545 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.824 2.927 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.631 3.213 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.351 1.457 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.708 1.328 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.030 0.431 -3.847 1.00 0.00 H new ATOM 1214 N HIS A 81 15.093 -1.738 -0.787 1.00 0.00 N ATOM 1215 CA HIS A 81 15.460 -2.661 0.280 1.00 0.00 C ATOM 1216 C HIS A 81 15.592 -1.928 1.612 1.00 0.00 C ATOM 1217 O HIS A 81 15.305 -2.487 2.670 1.00 0.00 O ATOM 1218 CB HIS A 81 16.773 -3.369 -0.058 1.00 0.00 C ATOM 1219 CG HIS A 81 17.372 -4.105 1.101 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.757 -5.178 1.710 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.539 -3.918 1.761 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.519 -5.618 2.695 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.606 -4.871 2.747 1.00 0.00 N ATOM 0 H HIS A 81 15.867 -1.464 -1.393 1.00 0.00 H new ATOM 0 HA HIS A 81 14.668 -3.404 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.598 -4.072 -0.873 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.490 -2.633 -0.420 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.855 -5.571 1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.279 -3.160 1.551 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.291 -6.448 3.347 1.00 0.00 H new ATOM 1232 N GLN A 82 16.028 -0.674 1.550 1.00 0.00 N ATOM 1233 CA GLN A 82 16.199 0.135 2.751 1.00 0.00 C ATOM 1234 C GLN A 82 14.942 0.100 3.614 1.00 0.00 C ATOM 1235 O GLN A 82 15.018 0.159 4.842 1.00 0.00 O ATOM 1236 CB GLN A 82 16.534 1.580 2.375 1.00 0.00 C ATOM 1237 CG GLN A 82 15.494 2.232 1.478 1.00 0.00 C ATOM 1238 CD GLN A 82 15.702 3.727 1.336 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.142 4.208 0.291 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.385 4.472 2.389 1.00 0.00 N ATOM 0 H GLN A 82 16.269 -0.196 0.682 1.00 0.00 H new ATOM 0 HA GLN A 82 17.025 -0.284 3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.637 2.169 3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.500 1.601 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.528 1.769 0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.500 2.044 1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.024 4.032 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.503 5.484 2.352 1.00 0.00 H new ATOM 1249 N ASP A 83 13.787 0.005 2.965 1.00 0.00 N ATOM 1250 CA ASP A 83 12.513 -0.038 3.673 1.00 0.00 C ATOM 1251 C ASP A 83 12.196 -1.457 4.135 1.00 0.00 C ATOM 1252 O ASP A 83 11.047 -1.780 4.438 1.00 0.00 O ATOM 1253 CB ASP A 83 11.389 0.483 2.777 1.00 0.00 C ATOM 1254 CG ASP A 83 11.467 1.982 2.563 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.440 2.726 3.565 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.554 2.411 1.393 1.00 0.00 O ATOM 0 H ASP A 83 13.707 -0.044 1.949 1.00 0.00 H new ATOM 0 HA ASP A 83 12.592 0.602 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.434 -0.022 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.427 0.232 3.223 1.00 0.00 H new ATOM 1261 N SER A 84 13.221 -2.301 4.184 1.00 0.00 N ATOM 1262 CA SER A 84 13.051 -3.687 4.603 1.00 0.00 C ATOM 1263 C SER A 84 12.185 -3.773 5.857 1.00 0.00 C ATOM 1264 O SER A 84 12.605 -3.375 6.943 1.00 0.00 O ATOM 1265 CB SER A 84 14.412 -4.334 4.865 1.00 0.00 C ATOM 1266 OG SER A 84 15.093 -3.681 5.922 1.00 0.00 O ATOM 0 H SER A 84 14.178 -2.049 3.939 1.00 0.00 H new ATOM 0 HA SER A 84 12.550 -4.225 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.276 -5.387 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.017 -4.294 3.959 1.00 0.00 H new ATOM 0 HG SER A 84 14.457 -3.462 6.635 1.00 0.00 H new ATOM 1272 N GLY A 85 10.973 -4.296 5.697 1.00 0.00 N ATOM 1273 CA GLY A 85 10.067 -4.425 6.823 1.00 0.00 C ATOM 1274 C GLY A 85 9.015 -3.333 6.848 1.00 0.00 C ATOM 1275 O GLY A 85 8.685 -2.805 7.910 1.00 0.00 O ATOM 0 H GLY A 85 10.603 -4.632 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.576 -5.397 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.639 -4.396 7.751 1.00 0.00 H new ATOM 1279 N ALA A 86 8.489 -2.993 5.677 1.00 0.00 N ATOM 1280 CA ALA A 86 7.469 -1.957 5.569 1.00 0.00 C ATOM 1281 C ALA A 86 6.159 -2.409 6.205 1.00 0.00 C ATOM 1282 O ALA A 86 5.995 -3.580 6.548 1.00 0.00 O ATOM 1283 CB ALA A 86 7.249 -1.583 4.111 1.00 0.00 C ATOM 0 H ALA A 86 8.752 -3.420 4.789 1.00 0.00 H new ATOM 0 HA ALA A 86 7.820 -1.078 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.485 -0.808 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.181 -1.210 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.923 -2.462 3.555 1.00 0.00 H new ATOM 1289 N LEU A 87 5.229 -1.473 6.360 1.00 0.00 N ATOM 1290 CA LEU A 87 3.932 -1.775 6.956 1.00 0.00 C ATOM 1291 C LEU A 87 2.795 -1.286 6.064 1.00 0.00 C ATOM 1292 O LEU A 87 2.396 -0.123 6.131 1.00 0.00 O ATOM 1293 CB LEU A 87 3.822 -1.132 8.340 1.00 0.00 C ATOM 1294 CG LEU A 87 2.941 -1.865 9.352 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.585 -2.189 8.745 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.628 -3.134 9.836 1.00 0.00 C ATOM 0 H LEU A 87 5.349 -0.499 6.081 1.00 0.00 H new ATOM 0 HA LEU A 87 3.850 -2.857 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.825 -1.043 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.437 -0.120 8.219 1.00 0.00 H new ATOM 0 HG LEU A 87 2.784 -1.210 10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.972 -2.711 9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.089 -1.265 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.721 -2.824 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.987 -3.643 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.816 -3.792 8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.574 -2.877 10.312 1.00 0.00 H new ATOM 1308 N VAL A 88 2.277 -2.181 5.229 1.00 0.00 N ATOM 1309 CA VAL A 88 1.184 -1.842 4.326 1.00 0.00 C ATOM 1310 C VAL A 88 -0.162 -2.249 4.915 1.00 0.00 C ATOM 1311 O VAL A 88 -0.489 -3.433 4.981 1.00 0.00 O ATOM 1312 CB VAL A 88 1.359 -2.520 2.954 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.356 -1.966 1.953 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.783 -2.341 2.449 1.00 0.00 C ATOM 0 H VAL A 88 2.597 -3.147 5.159 1.00 0.00 H new ATOM 0 HA VAL A 88 1.206 -0.760 4.194 1.00 0.00 H new ATOM 0 HB VAL A 88 1.170 -3.587 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.495 -2.457 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.656 -2.151 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.510 -0.893 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.889 -2.826 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.003 -1.278 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.479 -2.790 3.157 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.939 -1.258 5.341 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.242 -1.534 5.918 1.00 0.00 C ATOM 1326 C GLY A 89 -3.333 -0.662 5.329 1.00 0.00 C ATOM 1327 O GLY A 89 -3.073 0.456 4.886 1.00 0.00 O ATOM 0 H GLY A 89 -0.690 -0.270 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.493 -2.583 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.199 -1.378 6.996 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.559 -1.175 5.322 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.694 -0.437 4.780 1.00 0.00 C ATOM 1333 C PHE A 90 -6.623 0.029 5.897 1.00 0.00 C ATOM 1334 O PHE A 90 -7.360 -0.767 6.479 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.468 -1.307 3.788 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.883 -0.854 3.570 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -8.181 0.084 2.594 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.915 -1.365 4.340 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.483 0.504 2.392 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -10.218 -0.949 4.142 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.502 -0.014 3.166 1.00 0.00 C ATOM 0 H PHE A 90 -4.792 -2.099 5.686 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.310 0.441 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.944 -1.308 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.476 -2.336 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.388 0.491 1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.699 -2.097 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.702 1.237 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.013 -1.355 4.750 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.520 0.311 3.009 1.00 0.00 H new ATOM 1351 N SER A 91 -6.581 1.324 6.192 1.00 0.00 N ATOM 1352 CA SER A 91 -7.415 1.897 7.242 1.00 0.00 C ATOM 1353 C SER A 91 -8.724 2.429 6.666 1.00 0.00 C ATOM 1354 O SER A 91 -8.725 3.197 5.703 1.00 0.00 O ATOM 1355 CB SER A 91 -6.667 3.022 7.960 1.00 0.00 C ATOM 1356 OG SER A 91 -6.251 4.022 7.047 1.00 0.00 O ATOM 0 H SER A 91 -5.978 1.997 5.718 1.00 0.00 H new ATOM 0 HA SER A 91 -7.646 1.109 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.311 3.464 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.799 2.613 8.477 1.00 0.00 H new ATOM 0 HG SER A 91 -5.272 4.050 7.016 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.836 2.015 7.263 1.00 0.00 N ATOM 1363 CA CYS A 92 -11.153 2.449 6.810 1.00 0.00 C ATOM 1364 C CYS A 92 -12.136 2.509 7.975 1.00 0.00 C ATOM 1365 O CYS A 92 -11.963 1.850 9.000 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.681 1.503 5.731 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.721 0.166 6.364 1.00 0.00 S ATOM 0 H CYS A 92 -9.852 1.380 8.061 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.054 3.450 6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.253 2.081 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.835 1.069 5.198 1.00 0.00 H new ATOM 0 HG CYS A 92 -13.120 -0.579 5.376 1.00 0.00 H new ATOM 1373 N PRO A 93 -13.193 3.320 7.817 1.00 0.00 N ATOM 1374 CA PRO A 93 -14.223 3.487 8.845 1.00 0.00 C ATOM 1375 C PRO A 93 -15.083 2.239 9.013 1.00 0.00 C ATOM 1376 O PRO A 93 -16.200 2.169 8.503 1.00 0.00 O ATOM 1377 CB PRO A 93 -15.067 4.650 8.316 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.869 4.621 6.840 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.463 4.136 6.621 1.00 0.00 C ATOM 0 HA PRO A 93 -13.790 3.669 9.829 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.118 4.527 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.742 5.600 8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.590 3.957 6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.012 5.611 6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.378 3.549 5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.761 4.965 6.533 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.554 1.254 9.734 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.287 0.022 9.956 1.00 0.00 C ATOM 1389 C GLY A 94 -14.382 -1.194 9.985 1.00 0.00 C ATOM 1390 O GLY A 94 -14.785 -2.267 10.434 1.00 0.00 O ATOM 0 H GLY A 94 -13.631 1.288 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.829 0.090 10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.031 -0.101 9.169 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.154 -1.027 9.502 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.189 -2.120 9.473 1.00 0.00 C ATOM 1396 C VAL A 95 -10.777 -1.613 9.740 1.00 0.00 C ATOM 1397 O VAL A 95 -10.424 -0.499 9.354 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.212 -2.854 8.119 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.069 -3.853 8.034 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.552 -3.544 7.911 1.00 0.00 C ATOM 0 H VAL A 95 -12.805 -0.146 9.126 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.477 -2.817 10.260 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.080 -2.120 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.101 -4.362 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.119 -3.328 8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.166 -4.586 8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.551 -4.058 6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.716 -4.268 8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.350 -2.801 7.925 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.972 -2.439 10.402 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.597 -2.073 10.721 1.00 0.00 C ATOM 1412 C GLN A 96 -7.680 -3.290 10.650 1.00 0.00 C ATOM 1413 O GLN A 96 -7.709 -4.152 11.528 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.524 -1.444 12.113 1.00 0.00 C ATOM 1415 CG GLN A 96 -7.104 -1.259 12.623 1.00 0.00 C ATOM 1416 CD GLN A 96 -7.030 -1.208 14.136 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -6.603 -2.166 14.782 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -7.445 -0.085 14.712 1.00 0.00 N ATOM 0 H GLN A 96 -10.248 -3.365 10.727 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.261 -1.344 9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.023 -0.475 12.091 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.075 -2.070 12.815 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.482 -2.077 12.260 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.691 -0.338 12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.791 0.684 14.139 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.417 0.008 15.727 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.868 -3.352 9.601 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.942 -4.463 9.416 1.00 0.00 C ATOM 1429 C ASP A 97 -4.743 -4.037 8.574 1.00 0.00 C ATOM 1430 O ASP A 97 -4.795 -3.030 7.868 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.653 -5.643 8.752 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.067 -6.979 9.165 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -4.867 -7.020 9.508 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -6.809 -7.984 9.145 1.00 0.00 O ATOM 0 H ASP A 97 -6.832 -2.646 8.866 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.583 -4.771 10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.711 -5.618 9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.588 -5.540 7.669 1.00 0.00 H new ATOM 1439 N SER A 98 -3.665 -4.809 8.655 1.00 0.00 N ATOM 1440 CA SER A 98 -2.451 -4.509 7.905 1.00 0.00 C ATOM 1441 C SER A 98 -1.618 -5.769 7.692 1.00 0.00 C ATOM 1442 O SER A 98 -1.906 -6.821 8.263 1.00 0.00 O ATOM 1443 CB SER A 98 -1.621 -3.453 8.637 1.00 0.00 C ATOM 1444 OG SER A 98 -2.423 -2.347 9.016 1.00 0.00 O ATOM 0 H SER A 98 -3.607 -5.648 9.233 1.00 0.00 H new ATOM 0 HA SER A 98 -2.744 -4.119 6.930 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.163 -3.895 9.522 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.809 -3.114 7.994 1.00 0.00 H new ATOM 0 HG SER A 98 -1.870 -1.687 9.483 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.583 -5.655 6.866 1.00 0.00 N ATOM 1451 CA ALA A 99 0.294 -6.783 6.579 1.00 0.00 C ATOM 1452 C ALA A 99 1.761 -6.381 6.693 1.00 0.00 C ATOM 1453 O ALA A 99 2.077 -5.232 6.998 1.00 0.00 O ATOM 1454 CB ALA A 99 0.003 -7.338 5.193 1.00 0.00 C ATOM 0 H ALA A 99 -0.331 -4.792 6.384 1.00 0.00 H new ATOM 0 HA ALA A 99 0.099 -7.560 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.665 -8.180 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.033 -7.672 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.168 -6.560 4.448 1.00 0.00 H new ATOM 1460 N ALA A 100 2.652 -7.336 6.447 1.00 0.00 N ATOM 1461 CA ALA A 100 4.085 -7.081 6.521 1.00 0.00 C ATOM 1462 C ALA A 100 4.739 -7.223 5.151 1.00 0.00 C ATOM 1463 O ALA A 100 4.508 -8.202 4.440 1.00 0.00 O ATOM 1464 CB ALA A 100 4.738 -8.024 7.521 1.00 0.00 C ATOM 0 H ALA A 100 2.406 -8.293 6.195 1.00 0.00 H new ATOM 0 HA ALA A 100 4.230 -6.055 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.808 -7.822 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.298 -7.871 8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.576 -9.055 7.208 1.00 0.00 H new ATOM 1470 N LEU A 101 5.556 -6.241 4.786 1.00 0.00 N ATOM 1471 CA LEU A 101 6.244 -6.257 3.500 1.00 0.00 C ATOM 1472 C LEU A 101 7.746 -6.442 3.688 1.00 0.00 C ATOM 1473 O LEU A 101 8.454 -5.513 4.078 1.00 0.00 O ATOM 1474 CB LEU A 101 5.970 -4.959 2.737 1.00 0.00 C ATOM 1475 CG LEU A 101 6.919 -4.649 1.579 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.687 -5.613 0.426 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.742 -3.210 1.116 1.00 0.00 C ATOM 0 H LEU A 101 5.758 -5.424 5.362 1.00 0.00 H new ATOM 0 HA LEU A 101 5.863 -7.099 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.953 -4.998 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.008 -4.130 3.444 1.00 0.00 H new ATOM 0 HG LEU A 101 7.943 -4.774 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.371 -5.377 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.864 -6.634 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.659 -5.520 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.425 -3.006 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.715 -3.059 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.959 -2.533 1.942 1.00 0.00 H new ATOM 1489 N THR A 102 8.228 -7.649 3.406 1.00 0.00 N ATOM 1490 CA THR A 102 9.647 -7.956 3.542 1.00 0.00 C ATOM 1491 C THR A 102 10.389 -7.720 2.232 1.00 0.00 C ATOM 1492 O THR A 102 9.911 -8.097 1.161 1.00 0.00 O ATOM 1493 CB THR A 102 9.865 -9.414 3.988 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.499 -9.566 5.364 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.316 -9.827 3.796 1.00 0.00 C ATOM 0 H THR A 102 7.657 -8.429 3.082 1.00 0.00 H new ATOM 0 HA THR A 102 10.044 -7.287 4.306 1.00 0.00 H new ATOM 0 HB THR A 102 9.236 -10.057 3.372 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.639 -10.496 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.446 -10.860 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.583 -9.739 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.960 -9.179 4.390 1.00 0.00 H new ATOM 1503 N ILE A 103 11.559 -7.097 2.324 1.00 0.00 N ATOM 1504 CA ILE A 103 12.368 -6.814 1.145 1.00 0.00 C ATOM 1505 C ILE A 103 13.822 -7.214 1.367 1.00 0.00 C ATOM 1506 O ILE A 103 14.470 -6.743 2.301 1.00 0.00 O ATOM 1507 CB ILE A 103 12.310 -5.322 0.768 1.00 0.00 C ATOM 1508 CG1 ILE A 103 10.856 -4.850 0.684 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.027 -5.081 -0.552 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.713 -3.347 0.596 1.00 0.00 C ATOM 0 H ILE A 103 11.968 -6.779 3.203 1.00 0.00 H new ATOM 0 HA ILE A 103 11.952 -7.404 0.328 1.00 0.00 H new ATOM 0 HB ILE A 103 12.815 -4.747 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.385 -5.303 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.315 -5.208 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.977 -4.022 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.070 -5.384 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.548 -5.665 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.657 -3.085 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.154 -2.887 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.225 -2.984 -0.295 1.00 0.00 H new ATOM 1522 N GLN A 104 14.329 -8.085 0.500 1.00 0.00 N ATOM 1523 CA GLN A 104 15.708 -8.548 0.601 1.00 0.00 C ATOM 1524 C GLN A 104 16.548 -8.011 -0.553 1.00 0.00 C ATOM 1525 O GLN A 104 16.013 -7.551 -1.560 1.00 0.00 O ATOM 1526 CB GLN A 104 15.755 -10.077 0.614 1.00 0.00 C ATOM 1527 CG GLN A 104 14.993 -10.699 1.773 1.00 0.00 C ATOM 1528 CD GLN A 104 15.737 -10.586 3.089 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.960 -10.451 3.114 1.00 0.00 O ATOM 1530 NE2 GLN A 104 15.000 -10.641 4.192 1.00 0.00 N ATOM 0 H GLN A 104 13.806 -8.484 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 104 16.124 -8.171 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.345 -10.453 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.795 -10.400 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.022 -10.213 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.804 -11.750 1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.989 -10.754 4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.445 -10.570 5.107 1.00 0.00 H new ATOM 1539 N GLU A 105 17.867 -8.074 -0.397 1.00 0.00 N ATOM 1540 CA GLU A 105 18.781 -7.593 -1.427 1.00 0.00 C ATOM 1541 C GLU A 105 19.065 -8.684 -2.455 1.00 0.00 C ATOM 1542 O GLU A 105 19.295 -9.840 -2.102 1.00 0.00 O ATOM 1543 CB GLU A 105 20.092 -7.118 -0.796 1.00 0.00 C ATOM 1544 CG GLU A 105 19.984 -5.764 -0.115 1.00 0.00 C ATOM 1545 CD GLU A 105 21.339 -5.156 0.191 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.004 -4.683 -0.754 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.733 -5.152 1.376 1.00 0.00 O ATOM 0 H GLU A 105 18.326 -8.453 0.431 1.00 0.00 H new ATOM 0 HA GLU A 105 18.306 -6.754 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.423 -7.857 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.860 -7.067 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.421 -5.084 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.420 -5.871 0.812 1.00 0.00 H new