USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 782 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 66 HIS : no HE2:sc= -19.3! C(o=-39!,f=-37!) USER MOD Set 1.2: A 88 MET CE :methyl -153:sc= -0.0512 (180deg=-0.579) USER MOD Set 1.3: A 90 MET CE :methyl -126:sc= -19.3! (180deg=-8.64!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 136:sc= -0.639 (180deg=-3.69!) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0.527 (180deg=0.49) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0941 K(o=-0.094,f=-5.2!) USER MOD Single : A 19 GLN : amide:sc= -0.0434 X(o=-0.043,f=-0.23) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 148:sc= -3.41! USER MOD Single : A 25 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.052) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 27:sc= -0.125 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.195 K(o=0.2,f=-1.5) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -6.82! C(o=-6.8!,f=-14!) USER MOD Single : A 49 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.3!) USER MOD Single : A 51 THR OG1 : rot 90:sc= -0.89! USER MOD Single : A 54 THR OG1 : rot 96:sc= -0.205 USER MOD Single : A 57 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-5.1!) USER MOD Single : A 60 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.28) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -109:sc= 1.27 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -110:sc= -0.384 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.46) USER MOD Single : A 78 MET CE :methyl -121:sc= -14.6! (180deg=-18.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 0.0604 (180deg=0.0588) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= 0.372 (180deg=-0.236!) USER MOD Single : A 92 SER OG : rot 80:sc= -3.12 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -6.18! C(o=-6.2!,f=-14!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.929 -4.674 4.370 1.00 0.00 N ATOM 2 CA GLN A 1 2.790 -5.409 3.465 1.00 0.00 C ATOM 3 C GLN A 1 3.528 -4.440 2.553 1.00 0.00 C ATOM 4 O GLN A 1 4.284 -3.593 3.023 1.00 0.00 O ATOM 5 CB GLN A 1 1.951 -6.388 2.649 1.00 0.00 C ATOM 6 CG GLN A 1 2.747 -7.669 2.416 1.00 0.00 C ATOM 7 CD GLN A 1 1.844 -8.891 2.497 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.151 -9.219 1.535 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.850 -9.566 3.649 1.00 0.00 N ATOM 0 H1 GLN A 1 1.427 -5.341 4.991 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.504 -4.028 4.948 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.237 -4.124 3.821 1.00 0.00 H new ATOM 0 HA GLN A 1 3.528 -5.972 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.023 -6.614 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.676 -5.940 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 1 3.227 -7.631 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.541 -7.749 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.442 -9.255 4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.263 -10.393 3.759 1.00 0.00 H new ATOM 20 N LEU A 2 3.306 -4.566 1.242 1.00 0.00 N ATOM 21 CA LEU A 2 3.947 -3.703 0.271 1.00 0.00 C ATOM 22 C LEU A 2 5.411 -3.508 0.640 1.00 0.00 C ATOM 23 O LEU A 2 5.776 -2.492 1.226 1.00 0.00 O ATOM 24 CB LEU A 2 3.220 -2.363 0.222 1.00 0.00 C ATOM 25 CG LEU A 2 4.042 -1.367 -0.591 1.00 0.00 C ATOM 26 CD1 LEU A 2 4.650 -2.075 -1.799 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.140 -0.231 -1.067 1.00 0.00 C ATOM 0 H LEU A 2 2.682 -5.264 0.836 1.00 0.00 H new ATOM 0 HA LEU A 2 3.899 -4.163 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.234 -2.488 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.065 -1.984 1.232 1.00 0.00 H new ATOM 0 HG LEU A 2 4.840 -0.961 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.237 -1.364 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.294 -2.886 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.853 -2.482 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.727 0.481 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.342 -0.636 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.706 0.275 -0.204 1.00 0.00 H new ATOM 39 N PRO A 3 6.250 -4.487 0.295 1.00 0.00 N ATOM 40 CA PRO A 3 7.673 -4.474 0.561 1.00 0.00 C ATOM 41 C PRO A 3 8.354 -3.470 -0.357 1.00 0.00 C ATOM 42 O PRO A 3 7.695 -2.617 -0.947 1.00 0.00 O ATOM 43 CB PRO A 3 8.140 -5.897 0.260 1.00 0.00 C ATOM 44 CG PRO A 3 7.166 -6.351 -0.827 1.00 0.00 C ATOM 45 CD PRO A 3 5.855 -5.697 -0.396 1.00 0.00 C ATOM 0 HA PRO A 3 7.912 -4.182 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.173 -5.919 -0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.087 -6.535 1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.479 -6.017 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.083 -7.437 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.224 -5.472 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.281 -6.355 0.257 1.00 0.00 H new ATOM 53 N ARG A 4 9.681 -3.572 -0.473 1.00 0.00 N ATOM 54 CA ARG A 4 10.445 -2.673 -1.314 1.00 0.00 C ATOM 55 C ARG A 4 11.293 -3.475 -2.291 1.00 0.00 C ATOM 56 O ARG A 4 11.873 -4.493 -1.921 1.00 0.00 O ATOM 57 CB ARG A 4 11.324 -1.783 -0.439 1.00 0.00 C ATOM 58 CG ARG A 4 12.513 -2.591 0.073 1.00 0.00 C ATOM 59 CD ARG A 4 13.329 -1.737 1.041 1.00 0.00 C ATOM 60 NE ARG A 4 12.461 -0.869 1.835 1.00 0.00 N ATOM 61 CZ ARG A 4 12.028 -1.199 3.059 1.00 0.00 C ATOM 62 NH1 ARG A 4 12.391 -2.368 3.605 1.00 0.00 N ATOM 63 NH2 ARG A 4 11.233 -0.361 3.738 1.00 0.00 N ATOM 0 H ARG A 4 10.242 -4.274 0.010 1.00 0.00 H new ATOM 0 HA ARG A 4 9.767 -2.041 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.674 -0.923 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.746 -1.394 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.164 -3.494 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.137 -2.910 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.907 -2.383 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.043 -1.131 0.483 1.00 0.00 H new ATOM 0 HE ARG A 4 12.173 0.026 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.997 -3.006 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 4 12.062 -2.620 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.957 0.529 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.904 -0.613 4.670 1.00 0.00 H new ATOM 77 N LEU A 5 11.365 -3.013 -3.541 1.00 0.00 N ATOM 78 CA LEU A 5 12.140 -3.688 -4.564 1.00 0.00 C ATOM 79 C LEU A 5 13.427 -2.918 -4.827 1.00 0.00 C ATOM 80 O LEU A 5 13.457 -1.695 -4.707 1.00 0.00 O ATOM 81 CB LEU A 5 11.309 -3.804 -5.837 1.00 0.00 C ATOM 82 CG LEU A 5 10.587 -5.148 -5.851 1.00 0.00 C ATOM 83 CD1 LEU A 5 9.532 -5.148 -6.954 1.00 0.00 C ATOM 84 CD2 LEU A 5 11.593 -6.265 -6.110 1.00 0.00 C ATOM 0 H LEU A 5 10.891 -2.169 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 5 12.402 -4.690 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.586 -2.990 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.951 -3.715 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 5 10.105 -5.310 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.016 -6.108 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.812 -4.351 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.014 -4.985 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 5 11.076 -7.225 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.076 -6.103 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.346 -6.266 -5.322 1.00 0.00 H new ATOM 96 N CYS A 6 14.490 -3.638 -5.190 1.00 0.00 N ATOM 97 CA CYS A 6 15.772 -3.024 -5.470 1.00 0.00 C ATOM 98 C CYS A 6 16.505 -3.824 -6.537 1.00 0.00 C ATOM 99 O CYS A 6 16.229 -5.005 -6.729 1.00 0.00 O ATOM 100 CB CYS A 6 16.593 -2.954 -4.185 1.00 0.00 C ATOM 101 SG CYS A 6 15.608 -2.653 -2.698 1.00 0.00 S ATOM 0 H CYS A 6 14.479 -4.653 -5.295 1.00 0.00 H new ATOM 0 HA CYS A 6 15.621 -2.011 -5.844 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.139 -3.890 -4.063 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.335 -2.162 -4.283 1.00 0.00 H new ATOM 106 N LYS A 7 17.442 -3.176 -7.233 1.00 0.00 N ATOM 107 CA LYS A 7 18.207 -3.829 -8.275 1.00 0.00 C ATOM 108 C LYS A 7 19.271 -4.723 -7.654 1.00 0.00 C ATOM 109 O LYS A 7 19.840 -4.389 -6.617 1.00 0.00 O ATOM 110 CB LYS A 7 18.846 -2.774 -9.173 1.00 0.00 C ATOM 111 CG LYS A 7 18.209 -2.833 -10.559 1.00 0.00 C ATOM 112 CD LYS A 7 17.585 -1.480 -10.890 1.00 0.00 C ATOM 113 CE LYS A 7 18.159 -0.962 -12.206 1.00 0.00 C ATOM 114 NZ LYS A 7 17.320 0.111 -12.761 1.00 0.00 N ATOM 0 H LYS A 7 17.683 -2.196 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 7 17.546 -4.451 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.711 -1.783 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.920 -2.946 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.960 -3.091 -11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.448 -3.613 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.502 -1.576 -10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.786 -0.769 -10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.171 -0.590 -12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.231 -1.780 -12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.926 0.885 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.759 -0.262 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.681 0.469 -12.023 1.00 0.00 H new ATOM 128 N PHE A 8 19.537 -5.865 -8.291 1.00 0.00 N ATOM 129 CA PHE A 8 20.530 -6.800 -7.799 1.00 0.00 C ATOM 130 C PHE A 8 21.410 -7.273 -8.947 1.00 0.00 C ATOM 131 O PHE A 8 21.095 -8.261 -9.609 1.00 0.00 O ATOM 132 CB PHE A 8 19.828 -7.981 -7.134 1.00 0.00 C ATOM 133 CG PHE A 8 20.616 -8.588 -5.997 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.642 -9.501 -6.266 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.321 -8.236 -4.674 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.374 -10.061 -5.212 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.052 -8.796 -3.621 1.00 0.00 C ATOM 138 CZ PHE A 8 22.079 -9.709 -3.889 1.00 0.00 C ATOM 0 H PHE A 8 19.073 -6.158 -9.151 1.00 0.00 H new ATOM 0 HA PHE A 8 21.164 -6.308 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.858 -7.653 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.637 -8.749 -7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.869 -9.773 -7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.529 -7.532 -4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 8 23.167 -10.765 -5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.824 -8.524 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.643 -10.142 -3.076 1.00 0.00 H new ATOM 148 N CYS A 9 22.516 -6.564 -9.184 1.00 0.00 N ATOM 149 CA CYS A 9 23.435 -6.912 -10.249 1.00 0.00 C ATOM 150 C CYS A 9 24.866 -6.856 -9.732 1.00 0.00 C ATOM 151 O CYS A 9 25.202 -5.996 -8.922 1.00 0.00 O ATOM 152 CB CYS A 9 23.245 -5.951 -11.419 1.00 0.00 C ATOM 153 SG CYS A 9 24.205 -4.424 -11.280 1.00 0.00 S ATOM 0 H CYS A 9 22.790 -5.743 -8.645 1.00 0.00 H new ATOM 0 HA CYS A 9 23.232 -7.926 -10.593 1.00 0.00 H new ATOM 0 HB2 CYS A 9 23.522 -6.460 -12.342 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.188 -5.697 -11.500 1.00 0.00 H new ATOM 158 N ASP A 10 25.708 -7.778 -10.204 1.00 0.00 N ATOM 159 CA ASP A 10 27.095 -7.829 -9.787 1.00 0.00 C ATOM 160 C ASP A 10 27.855 -6.651 -10.380 1.00 0.00 C ATOM 161 O ASP A 10 27.313 -5.908 -11.196 1.00 0.00 O ATOM 162 CB ASP A 10 27.711 -9.152 -10.237 1.00 0.00 C ATOM 163 CG ASP A 10 26.679 -10.270 -10.211 1.00 0.00 C ATOM 164 OD1 ASP A 10 26.099 -10.480 -9.124 1.00 0.00 O ATOM 165 OD2 ASP A 10 26.488 -10.891 -11.277 1.00 0.00 O ATOM 0 H ASP A 10 25.444 -8.498 -10.877 1.00 0.00 H new ATOM 0 HA ASP A 10 27.156 -7.765 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.113 -9.046 -11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.547 -9.408 -9.586 1.00 0.00 H new ATOM 170 N VAL A 11 29.113 -6.482 -9.967 1.00 0.00 N ATOM 171 CA VAL A 11 29.939 -5.396 -10.457 1.00 0.00 C ATOM 172 C VAL A 11 30.355 -5.675 -11.895 1.00 0.00 C ATOM 173 O VAL A 11 30.998 -6.686 -12.171 1.00 0.00 O ATOM 174 CB VAL A 11 31.163 -5.243 -9.559 1.00 0.00 C ATOM 175 CG1 VAL A 11 31.096 -6.267 -8.429 1.00 0.00 C ATOM 176 CG2 VAL A 11 32.429 -5.475 -10.379 1.00 0.00 C ATOM 0 H VAL A 11 29.576 -7.090 -9.292 1.00 0.00 H new ATOM 0 HA VAL A 11 29.373 -4.465 -10.437 1.00 0.00 H new ATOM 0 HB VAL A 11 31.181 -4.237 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.970 -6.158 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 11 30.192 -6.103 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 11 31.078 -7.272 -8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 11 33.303 -5.366 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.411 -6.480 -10.799 1.00 0.00 H new ATOM 0 HG23 VAL A 11 32.478 -4.745 -11.187 1.00 0.00 H new ATOM 186 N LYS A 12 29.989 -4.775 -12.810 1.00 0.00 N ATOM 187 CA LYS A 12 30.327 -4.930 -14.210 1.00 0.00 C ATOM 188 C LYS A 12 30.774 -3.594 -14.787 1.00 0.00 C ATOM 189 O LYS A 12 30.403 -2.539 -14.275 1.00 0.00 O ATOM 190 CB LYS A 12 29.116 -5.468 -14.968 1.00 0.00 C ATOM 191 CG LYS A 12 27.867 -5.312 -14.106 1.00 0.00 C ATOM 192 CD LYS A 12 26.632 -5.276 -15.002 1.00 0.00 C ATOM 193 CE LYS A 12 26.134 -3.839 -15.126 1.00 0.00 C ATOM 194 NZ LYS A 12 24.788 -3.695 -14.549 1.00 0.00 N ATOM 0 H LYS A 12 29.457 -3.931 -12.597 1.00 0.00 H new ATOM 0 HA LYS A 12 31.149 -5.639 -14.312 1.00 0.00 H new ATOM 0 HB2 LYS A 12 28.992 -4.929 -15.907 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.268 -6.517 -15.220 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.793 -6.139 -13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.930 -4.396 -13.518 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.873 -5.675 -15.987 1.00 0.00 H new ATOM 0 HD3 LYS A 12 25.849 -5.909 -14.585 1.00 0.00 H new ATOM 0 HE2 LYS A 12 26.825 -3.166 -14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 12 26.117 -3.546 -16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.500 -2.696 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.114 -4.269 -15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 24.798 -4.017 -13.560 1.00 0.00 H new ATOM 208 N ALA A 13 31.573 -3.641 -15.855 1.00 0.00 N ATOM 209 CA ALA A 13 32.066 -2.438 -16.493 1.00 0.00 C ATOM 210 C ALA A 13 30.897 -1.541 -16.875 1.00 0.00 C ATOM 211 O ALA A 13 30.188 -1.816 -17.840 1.00 0.00 O ATOM 212 CB ALA A 13 32.882 -2.816 -17.726 1.00 0.00 C ATOM 0 H ALA A 13 31.888 -4.507 -16.291 1.00 0.00 H new ATOM 0 HA ALA A 13 32.707 -1.891 -15.802 1.00 0.00 H new ATOM 0 HB1 ALA A 13 33.254 -1.912 -18.208 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.724 -3.441 -17.428 1.00 0.00 H new ATOM 0 HB3 ALA A 13 32.252 -3.366 -18.425 1.00 0.00 H new ATOM 218 N THR A 14 30.698 -0.462 -16.113 1.00 0.00 N ATOM 219 CA THR A 14 29.618 0.466 -16.378 1.00 0.00 C ATOM 220 C THR A 14 30.154 1.691 -17.107 1.00 0.00 C ATOM 221 O THR A 14 31.316 2.054 -16.948 1.00 0.00 O ATOM 222 CB THR A 14 28.959 0.868 -15.061 1.00 0.00 C ATOM 223 OG1 THR A 14 27.771 1.579 -15.327 1.00 0.00 O ATOM 224 CG2 THR A 14 29.913 1.751 -14.263 1.00 0.00 C ATOM 0 H THR A 14 31.276 -0.218 -15.309 1.00 0.00 H new ATOM 0 HA THR A 14 28.872 -0.012 -17.013 1.00 0.00 H new ATOM 0 HB THR A 14 28.725 -0.027 -14.484 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.347 1.836 -14.482 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.442 2.038 -13.323 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.831 1.201 -14.056 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.148 2.646 -14.839 1.00 0.00 H new ATOM 232 N THR A 15 29.298 2.328 -17.910 1.00 0.00 N ATOM 233 CA THR A 15 29.689 3.506 -18.657 1.00 0.00 C ATOM 234 C THR A 15 29.099 4.751 -18.010 1.00 0.00 C ATOM 235 O THR A 15 29.102 5.826 -18.604 1.00 0.00 O ATOM 236 CB THR A 15 29.215 3.372 -20.101 1.00 0.00 C ATOM 237 OG1 THR A 15 27.813 3.225 -20.124 1.00 0.00 O ATOM 238 CG2 THR A 15 29.864 2.148 -20.739 1.00 0.00 C ATOM 0 H THR A 15 28.330 2.040 -18.054 1.00 0.00 H new ATOM 0 HA THR A 15 30.775 3.599 -18.651 1.00 0.00 H new ATOM 0 HB THR A 15 29.497 4.265 -20.659 1.00 0.00 H new ATOM 0 HG1 THR A 15 27.508 3.141 -21.052 1.00 0.00 H new ATOM 0 HG21 THR A 15 29.525 2.053 -21.771 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.948 2.261 -20.722 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.583 1.255 -20.181 1.00 0.00 H new ATOM 246 N CYS A 16 28.591 4.601 -16.784 1.00 0.00 N ATOM 247 CA CYS A 16 28.001 5.708 -16.059 1.00 0.00 C ATOM 248 C CYS A 16 29.099 6.602 -15.501 1.00 0.00 C ATOM 249 O CYS A 16 30.092 6.110 -14.970 1.00 0.00 O ATOM 250 CB CYS A 16 27.119 5.169 -14.937 1.00 0.00 C ATOM 251 SG CYS A 16 25.497 5.964 -14.829 1.00 0.00 S ATOM 0 H CYS A 16 28.581 3.715 -16.278 1.00 0.00 H new ATOM 0 HA CYS A 16 27.384 6.302 -16.733 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.978 4.098 -15.082 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.639 5.296 -13.987 1.00 0.00 H new ATOM 256 N SER A 17 28.919 7.919 -15.622 1.00 0.00 N ATOM 257 CA SER A 17 29.893 8.872 -15.129 1.00 0.00 C ATOM 258 C SER A 17 29.359 9.558 -13.880 1.00 0.00 C ATOM 259 O SER A 17 28.153 9.563 -13.638 1.00 0.00 O ATOM 260 CB SER A 17 30.200 9.894 -16.219 1.00 0.00 C ATOM 261 OG SER A 17 31.114 9.341 -17.139 1.00 0.00 O ATOM 0 H SER A 17 28.101 8.343 -16.060 1.00 0.00 H new ATOM 0 HA SER A 17 30.815 8.353 -14.867 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.282 10.182 -16.731 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.616 10.799 -15.777 1.00 0.00 H new ATOM 0 HG SER A 17 31.310 9.997 -17.840 1.00 0.00 H new ATOM 267 N ASN A 18 30.259 10.140 -13.086 1.00 0.00 N ATOM 268 CA ASN A 18 29.875 10.826 -11.870 1.00 0.00 C ATOM 269 C ASN A 18 29.036 12.050 -12.208 1.00 0.00 C ATOM 270 O ASN A 18 29.466 13.181 -11.994 1.00 0.00 O ATOM 271 CB ASN A 18 31.126 11.227 -11.095 1.00 0.00 C ATOM 272 CG ASN A 18 32.061 12.056 -11.964 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.468 11.615 -13.037 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.400 13.261 -11.500 1.00 0.00 N ATOM 0 H ASN A 18 31.262 10.145 -13.272 1.00 0.00 H new ATOM 0 HA ASN A 18 29.276 10.160 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.843 11.798 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.644 10.334 -10.746 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.023 13.860 -12.042 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.036 13.583 -10.603 1.00 0.00 H new ATOM 281 N GLN A 19 27.832 11.821 -12.738 1.00 0.00 N ATOM 282 CA GLN A 19 26.940 12.902 -13.103 1.00 0.00 C ATOM 283 C GLN A 19 25.864 13.067 -12.038 1.00 0.00 C ATOM 284 O GLN A 19 25.593 12.141 -11.276 1.00 0.00 O ATOM 285 CB GLN A 19 26.311 12.603 -14.462 1.00 0.00 C ATOM 286 CG GLN A 19 27.261 11.734 -15.282 1.00 0.00 C ATOM 287 CD GLN A 19 27.212 12.116 -16.753 1.00 0.00 C ATOM 288 OE1 GLN A 19 27.406 13.280 -17.102 1.00 0.00 O ATOM 289 NE2 GLN A 19 26.952 11.134 -17.619 1.00 0.00 N ATOM 0 H GLN A 19 27.460 10.889 -12.921 1.00 0.00 H new ATOM 0 HA GLN A 19 27.502 13.834 -13.172 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.357 12.092 -14.329 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.103 13.533 -14.991 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.278 11.846 -14.907 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.992 10.684 -15.166 1.00 0.00 H new ATOM 0 HE21 GLN A 19 26.798 10.184 -17.281 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.907 11.334 -18.618 1.00 0.00 H new ATOM 298 N ASP A 20 25.252 14.252 -11.985 1.00 0.00 N ATOM 299 CA ASP A 20 24.212 14.532 -11.016 1.00 0.00 C ATOM 300 C ASP A 20 23.266 13.344 -10.916 1.00 0.00 C ATOM 301 O ASP A 20 22.791 13.018 -9.832 1.00 0.00 O ATOM 302 CB ASP A 20 23.458 15.792 -11.431 1.00 0.00 C ATOM 303 CG ASP A 20 22.346 16.111 -10.441 1.00 0.00 C ATOM 304 OD1 ASP A 20 22.673 16.709 -9.393 1.00 0.00 O ATOM 305 OD2 ASP A 20 21.190 15.750 -10.751 1.00 0.00 O ATOM 0 H ASP A 20 25.466 15.030 -12.608 1.00 0.00 H new ATOM 0 HA ASP A 20 24.658 14.698 -10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 20 24.150 16.632 -11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 20 23.036 15.657 -12.427 1.00 0.00 H new ATOM 310 N GLN A 21 22.995 12.699 -12.052 1.00 0.00 N ATOM 311 CA GLN A 21 22.107 11.554 -12.087 1.00 0.00 C ATOM 312 C GLN A 21 22.690 10.475 -12.990 1.00 0.00 C ATOM 313 O GLN A 21 23.052 10.748 -14.132 1.00 0.00 O ATOM 314 CB GLN A 21 20.733 11.992 -12.586 1.00 0.00 C ATOM 315 CG GLN A 21 19.694 10.941 -12.205 1.00 0.00 C ATOM 316 CD GLN A 21 18.539 10.936 -13.195 1.00 0.00 C ATOM 317 OE1 GLN A 21 18.733 10.656 -14.376 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.334 11.249 -12.711 1.00 0.00 N ATOM 0 H GLN A 21 23.383 12.958 -12.959 1.00 0.00 H new ATOM 0 HA GLN A 21 22.001 11.141 -11.084 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.467 12.956 -12.152 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.752 12.124 -13.668 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.160 9.956 -12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.318 11.143 -11.202 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.224 11.474 -11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.524 11.263 -13.330 1.00 0.00 H new ATOM 327 N CYS A 22 22.778 9.247 -12.473 1.00 0.00 N ATOM 328 CA CYS A 22 23.315 8.135 -13.231 1.00 0.00 C ATOM 329 C CYS A 22 22.463 6.895 -12.999 1.00 0.00 C ATOM 330 O CYS A 22 21.659 6.856 -12.069 1.00 0.00 O ATOM 331 CB CYS A 22 24.760 7.885 -12.812 1.00 0.00 C ATOM 332 SG CYS A 22 25.942 7.932 -14.183 1.00 0.00 S ATOM 0 H CYS A 22 22.480 9.006 -11.528 1.00 0.00 H new ATOM 0 HA CYS A 22 23.296 8.371 -14.295 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.047 8.632 -12.072 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.823 6.912 -12.324 1.00 0.00 H new ATOM 337 N THR A 23 22.639 5.880 -13.847 1.00 0.00 N ATOM 338 CA THR A 23 21.887 4.648 -13.727 1.00 0.00 C ATOM 339 C THR A 23 22.820 3.505 -13.353 1.00 0.00 C ATOM 340 O THR A 23 24.026 3.582 -13.579 1.00 0.00 O ATOM 341 CB THR A 23 21.176 4.356 -15.046 1.00 0.00 C ATOM 342 OG1 THR A 23 20.375 5.460 -15.401 1.00 0.00 O ATOM 343 CG2 THR A 23 20.296 3.119 -14.886 1.00 0.00 C ATOM 0 H THR A 23 23.300 5.896 -14.624 1.00 0.00 H new ATOM 0 HA THR A 23 21.139 4.751 -12.940 1.00 0.00 H new ATOM 0 HB THR A 23 21.915 4.177 -15.827 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.919 5.274 -16.249 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.788 2.910 -15.827 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.915 2.265 -14.610 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.556 3.297 -14.106 1.00 0.00 H new ATOM 351 N SER A 24 22.257 2.440 -12.777 1.00 0.00 N ATOM 352 CA SER A 24 23.037 1.287 -12.377 1.00 0.00 C ATOM 353 C SER A 24 23.283 0.386 -13.579 1.00 0.00 C ATOM 354 O SER A 24 24.232 -0.395 -13.590 1.00 0.00 O ATOM 355 CB SER A 24 22.298 0.530 -11.277 1.00 0.00 C ATOM 356 OG SER A 24 21.031 0.131 -11.751 1.00 0.00 O ATOM 0 H SER A 24 21.259 2.361 -12.580 1.00 0.00 H new ATOM 0 HA SER A 24 24.002 1.614 -11.990 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.875 -0.343 -10.971 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.186 1.163 -10.397 1.00 0.00 H new ATOM 0 HG SER A 24 20.777 -0.717 -11.330 1.00 0.00 H new ATOM 362 N ASN A 25 22.423 0.497 -14.594 1.00 0.00 N ATOM 363 CA ASN A 25 22.552 -0.305 -15.794 1.00 0.00 C ATOM 364 C ASN A 25 22.161 -1.746 -15.499 1.00 0.00 C ATOM 365 O ASN A 25 22.133 -2.583 -16.400 1.00 0.00 O ATOM 366 CB ASN A 25 23.989 -0.228 -16.304 1.00 0.00 C ATOM 367 CG ASN A 25 24.070 -0.650 -17.763 1.00 0.00 C ATOM 368 OD1 ASN A 25 24.364 -1.807 -18.061 1.00 0.00 O ATOM 369 ND2 ASN A 25 23.808 0.290 -18.674 1.00 0.00 N ATOM 0 H ASN A 25 21.630 1.139 -14.600 1.00 0.00 H new ATOM 0 HA ASN A 25 21.885 0.079 -16.565 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.364 0.789 -16.194 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.629 -0.871 -15.699 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.847 0.062 -19.667 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.569 1.236 -18.377 1.00 0.00 H new ATOM 376 N CYS A 26 21.859 -2.035 -14.232 1.00 0.00 N ATOM 377 CA CYS A 26 21.471 -3.370 -13.822 1.00 0.00 C ATOM 378 C CYS A 26 20.128 -3.728 -14.442 1.00 0.00 C ATOM 379 O CYS A 26 19.401 -2.852 -14.905 1.00 0.00 O ATOM 380 CB CYS A 26 21.397 -3.433 -12.300 1.00 0.00 C ATOM 381 SG CYS A 26 22.966 -3.066 -11.472 1.00 0.00 S ATOM 0 H CYS A 26 21.878 -1.353 -13.474 1.00 0.00 H new ATOM 0 HA CYS A 26 22.213 -4.091 -14.166 1.00 0.00 H new ATOM 0 HB2 CYS A 26 20.641 -2.728 -11.953 1.00 0.00 H new ATOM 0 HB3 CYS A 26 21.065 -4.428 -12.003 1.00 0.00 H new ATOM 386 N ASN A 27 19.800 -5.022 -14.451 1.00 0.00 N ATOM 387 CA ASN A 27 18.548 -5.488 -15.013 1.00 0.00 C ATOM 388 C ASN A 27 17.997 -6.633 -14.177 1.00 0.00 C ATOM 389 O ASN A 27 17.526 -7.632 -14.717 1.00 0.00 O ATOM 390 CB ASN A 27 18.774 -5.933 -16.456 1.00 0.00 C ATOM 391 CG ASN A 27 17.749 -5.299 -17.386 1.00 0.00 C ATOM 392 OD1 ASN A 27 16.639 -5.807 -17.527 1.00 0.00 O ATOM 393 ND2 ASN A 27 18.123 -4.186 -18.021 1.00 0.00 N ATOM 0 H ASN A 27 20.392 -5.761 -14.072 1.00 0.00 H new ATOM 0 HA ASN A 27 17.819 -4.677 -15.004 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.779 -5.656 -16.773 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.707 -7.019 -16.521 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.476 -3.719 -18.656 1.00 0.00 H new ATOM 0 HD22 ASN A 27 19.056 -3.802 -17.871 1.00 0.00 H new ATOM 400 N ILE A 28 18.057 -6.486 -12.850 1.00 0.00 N ATOM 401 CA ILE A 28 17.565 -7.503 -11.943 1.00 0.00 C ATOM 402 C ILE A 28 16.684 -6.862 -10.880 1.00 0.00 C ATOM 403 O ILE A 28 16.915 -5.721 -10.486 1.00 0.00 O ATOM 404 CB ILE A 28 18.745 -8.229 -11.304 1.00 0.00 C ATOM 405 CG1 ILE A 28 19.501 -9.013 -12.373 1.00 0.00 C ATOM 406 CG2 ILE A 28 18.234 -9.190 -10.235 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.629 -9.806 -11.720 1.00 0.00 C ATOM 0 H ILE A 28 18.445 -5.664 -12.387 1.00 0.00 H new ATOM 0 HA ILE A 28 16.966 -8.229 -12.494 1.00 0.00 H new ATOM 0 HB ILE A 28 19.414 -7.500 -10.847 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.821 -9.688 -12.893 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.907 -8.331 -13.120 1.00 0.00 H new ATOM 0 HG21 ILE A 28 19.077 -9.708 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.695 -8.630 -9.470 1.00 0.00 H new ATOM 0 HG23 ILE A 28 17.564 -9.919 -10.691 1.00 0.00 H new ATOM 0 HD11 ILE A 28 21.169 -10.366 -12.483 1.00 0.00 H new ATOM 0 HD12 ILE A 28 21.314 -9.121 -11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 28 20.211 -10.499 -10.989 1.00 0.00 H new ATOM 419 N THR A 29 15.673 -7.599 -10.415 1.00 0.00 N ATOM 420 CA THR A 29 14.768 -7.096 -9.402 1.00 0.00 C ATOM 421 C THR A 29 14.782 -8.018 -8.190 1.00 0.00 C ATOM 422 O THR A 29 14.197 -9.098 -8.221 1.00 0.00 O ATOM 423 CB THR A 29 13.361 -6.991 -9.984 1.00 0.00 C ATOM 424 OG1 THR A 29 13.414 -6.311 -11.219 1.00 0.00 O ATOM 425 CG2 THR A 29 12.466 -6.221 -9.017 1.00 0.00 C ATOM 0 H THR A 29 15.468 -8.547 -10.730 1.00 0.00 H new ATOM 0 HA THR A 29 15.091 -6.105 -9.083 1.00 0.00 H new ATOM 0 HB THR A 29 12.955 -7.991 -10.136 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.511 -6.244 -11.595 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.461 -6.146 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.426 -6.746 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.871 -5.221 -8.864 1.00 0.00 H new ATOM 433 N SER A 30 15.454 -7.585 -7.121 1.00 0.00 N ATOM 434 CA SER A 30 15.540 -8.371 -5.905 1.00 0.00 C ATOM 435 C SER A 30 14.467 -7.921 -4.924 1.00 0.00 C ATOM 436 O SER A 30 14.344 -6.733 -4.636 1.00 0.00 O ATOM 437 CB SER A 30 16.931 -8.212 -5.298 1.00 0.00 C ATOM 438 OG SER A 30 17.266 -6.844 -5.241 1.00 0.00 O ATOM 0 H SER A 30 15.945 -6.692 -7.081 1.00 0.00 H new ATOM 0 HA SER A 30 15.375 -9.424 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.955 -8.645 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.664 -8.752 -5.897 1.00 0.00 H new ATOM 0 HG SER A 30 16.447 -6.309 -5.175 1.00 0.00 H new ATOM 444 N ILE A 31 13.692 -8.877 -4.407 1.00 0.00 N ATOM 445 CA ILE A 31 12.637 -8.581 -3.460 1.00 0.00 C ATOM 446 C ILE A 31 13.211 -8.528 -2.051 1.00 0.00 C ATOM 447 O ILE A 31 14.010 -9.380 -1.671 1.00 0.00 O ATOM 448 CB ILE A 31 11.549 -9.646 -3.561 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.036 -9.717 -4.996 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.397 -9.287 -2.627 1.00 0.00 C ATOM 451 CD1 ILE A 31 9.764 -10.558 -5.042 1.00 0.00 C ATOM 0 H ILE A 31 13.784 -9.867 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 31 12.198 -7.610 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 31 11.962 -10.613 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.835 -8.714 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.796 -10.153 -5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.620 -10.048 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.762 -9.237 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.985 -8.319 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.398 -10.608 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.980 -11.565 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.004 -10.103 -4.407 1.00 0.00 H new ATOM 463 N CYS A 32 12.801 -7.521 -1.275 1.00 0.00 N ATOM 464 CA CYS A 32 13.275 -7.360 0.085 1.00 0.00 C ATOM 465 C CYS A 32 12.090 -7.272 1.036 1.00 0.00 C ATOM 466 O CYS A 32 11.965 -6.310 1.789 1.00 0.00 O ATOM 467 CB CYS A 32 14.137 -6.105 0.178 1.00 0.00 C ATOM 468 SG CYS A 32 15.352 -5.947 -1.156 1.00 0.00 S ATOM 0 H CYS A 32 12.138 -6.806 -1.576 1.00 0.00 H new ATOM 0 HA CYS A 32 13.880 -8.221 0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.488 -5.229 0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.660 -6.106 1.134 1.00 0.00 H new ATOM 473 N GLU A 33 11.217 -8.283 1.000 1.00 0.00 N ATOM 474 CA GLU A 33 10.049 -8.312 1.859 1.00 0.00 C ATOM 475 C GLU A 33 10.473 -8.530 3.304 1.00 0.00 C ATOM 476 O GLU A 33 9.647 -8.477 4.212 1.00 0.00 O ATOM 477 CB GLU A 33 9.109 -9.421 1.397 1.00 0.00 C ATOM 478 CG GLU A 33 9.633 -10.768 1.887 1.00 0.00 C ATOM 479 CD GLU A 33 9.036 -11.910 1.078 1.00 0.00 C ATOM 480 OE1 GLU A 33 9.106 -11.821 -0.167 1.00 0.00 O ATOM 481 OE2 GLU A 33 8.520 -12.851 1.719 1.00 0.00 O ATOM 0 H GLU A 33 11.305 -9.089 0.381 1.00 0.00 H new ATOM 0 HA GLU A 33 9.524 -7.359 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.105 -9.246 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.036 -9.421 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.720 -10.790 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.387 -10.897 2.941 1.00 0.00 H new ATOM 488 N LYS A 34 11.769 -8.774 3.515 1.00 0.00 N ATOM 489 CA LYS A 34 12.296 -8.997 4.847 1.00 0.00 C ATOM 490 C LYS A 34 12.425 -7.670 5.582 1.00 0.00 C ATOM 491 O LYS A 34 12.682 -7.645 6.784 1.00 0.00 O ATOM 492 CB LYS A 34 13.650 -9.693 4.747 1.00 0.00 C ATOM 493 CG LYS A 34 13.647 -10.939 5.629 1.00 0.00 C ATOM 494 CD LYS A 34 14.983 -11.664 5.493 1.00 0.00 C ATOM 495 CE LYS A 34 14.747 -13.071 4.955 1.00 0.00 C ATOM 496 NZ LYS A 34 14.462 -14.013 6.048 1.00 0.00 N ATOM 0 H LYS A 34 12.467 -8.820 2.773 1.00 0.00 H new ATOM 0 HA LYS A 34 11.614 -9.635 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.855 -9.967 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.444 -9.015 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.477 -10.661 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.831 -11.601 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.641 -11.112 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.482 -11.712 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.913 -13.060 4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.625 -13.405 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.305 -14.963 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.269 -14.038 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.610 -13.705 6.559 1.00 0.00 H new ATOM 510 N ASN A 35 12.245 -6.566 4.856 1.00 0.00 N ATOM 511 CA ASN A 35 12.341 -5.244 5.441 1.00 0.00 C ATOM 512 C ASN A 35 13.761 -4.996 5.933 1.00 0.00 C ATOM 513 O ASN A 35 14.212 -3.855 5.991 1.00 0.00 O ATOM 514 CB ASN A 35 11.342 -5.123 6.588 1.00 0.00 C ATOM 515 CG ASN A 35 10.249 -4.119 6.253 1.00 0.00 C ATOM 516 OD1 ASN A 35 10.531 -2.945 6.020 1.00 0.00 O ATOM 517 ND2 ASN A 35 8.998 -4.584 6.228 1.00 0.00 N ATOM 0 H ASN A 35 12.031 -6.570 3.859 1.00 0.00 H new ATOM 0 HA ASN A 35 12.104 -4.492 4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.897 -6.097 6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.860 -4.813 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.225 -3.956 6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.815 -5.567 6.429 1.00 0.00 H new ATOM 524 N ASN A 36 14.465 -6.073 6.289 1.00 0.00 N ATOM 525 CA ASN A 36 15.826 -5.969 6.774 1.00 0.00 C ATOM 526 C ASN A 36 16.783 -5.822 5.599 1.00 0.00 C ATOM 527 O ASN A 36 17.975 -6.101 5.725 1.00 0.00 O ATOM 528 CB ASN A 36 16.168 -7.207 7.598 1.00 0.00 C ATOM 529 CG ASN A 36 15.981 -6.938 9.085 1.00 0.00 C ATOM 530 OD1 ASN A 36 14.880 -6.612 9.525 1.00 0.00 O ATOM 531 ND2 ASN A 36 17.060 -7.075 9.858 1.00 0.00 N ATOM 0 H ASN A 36 14.105 -7.027 6.247 1.00 0.00 H new ATOM 0 HA ASN A 36 15.923 -5.088 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.534 -8.039 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.199 -7.504 7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.993 -6.907 10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.952 -7.348 9.445 1.00 0.00 H new ATOM 538 N GLU A 37 16.260 -5.383 4.453 1.00 0.00 N ATOM 539 CA GLU A 37 17.069 -5.200 3.266 1.00 0.00 C ATOM 540 C GLU A 37 16.642 -3.935 2.535 1.00 0.00 C ATOM 541 O GLU A 37 15.461 -3.744 2.255 1.00 0.00 O ATOM 542 CB GLU A 37 16.926 -6.421 2.362 1.00 0.00 C ATOM 543 CG GLU A 37 17.823 -7.543 2.875 1.00 0.00 C ATOM 544 CD GLU A 37 17.006 -8.606 3.595 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.319 -9.371 2.884 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.084 -8.634 4.842 1.00 0.00 O ATOM 0 H GLU A 37 15.275 -5.149 4.330 1.00 0.00 H new ATOM 0 HA GLU A 37 18.116 -5.093 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.888 -6.752 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 37 17.198 -6.163 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.360 -7.995 2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.572 -7.134 3.553 1.00 0.00 H new ATOM 553 N VAL A 38 17.610 -3.069 2.226 1.00 0.00 N ATOM 554 CA VAL A 38 17.333 -1.828 1.530 1.00 0.00 C ATOM 555 C VAL A 38 18.030 -1.831 0.177 1.00 0.00 C ATOM 556 O VAL A 38 18.864 -2.692 -0.093 1.00 0.00 O ATOM 557 CB VAL A 38 17.807 -0.653 2.380 1.00 0.00 C ATOM 558 CG1 VAL A 38 17.059 0.610 1.963 1.00 0.00 C ATOM 559 CG2 VAL A 38 17.529 -0.946 3.852 1.00 0.00 C ATOM 0 H VAL A 38 18.594 -3.213 2.452 1.00 0.00 H new ATOM 0 HA VAL A 38 16.260 -1.730 1.364 1.00 0.00 H new ATOM 0 HB VAL A 38 18.877 -0.507 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.397 1.450 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.256 0.819 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.989 0.464 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.867 -0.107 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.459 -1.092 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 38 18.062 -1.849 4.150 1.00 0.00 H new ATOM 569 N CYS A 39 17.686 -0.862 -0.675 1.00 0.00 N ATOM 570 CA CYS A 39 18.278 -0.756 -1.993 1.00 0.00 C ATOM 571 C CYS A 39 19.517 0.124 -1.932 1.00 0.00 C ATOM 572 O CYS A 39 19.448 1.267 -1.484 1.00 0.00 O ATOM 573 CB CYS A 39 17.252 -0.181 -2.966 1.00 0.00 C ATOM 574 SG CYS A 39 15.564 -0.771 -2.689 1.00 0.00 S ATOM 0 H CYS A 39 16.996 -0.140 -0.466 1.00 0.00 H new ATOM 0 HA CYS A 39 18.576 -1.744 -2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.263 0.906 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.551 -0.432 -3.984 1.00 0.00 H new ATOM 579 N ALA A 40 20.654 -0.409 -2.382 1.00 0.00 N ATOM 580 CA ALA A 40 21.902 0.329 -2.375 1.00 0.00 C ATOM 581 C ALA A 40 22.702 -0.001 -3.628 1.00 0.00 C ATOM 582 O ALA A 40 22.819 -1.165 -4.004 1.00 0.00 O ATOM 583 CB ALA A 40 22.692 -0.024 -1.119 1.00 0.00 C ATOM 0 H ALA A 40 20.728 -1.355 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 40 21.698 1.400 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.631 0.530 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.109 0.239 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 22.902 -1.094 -1.110 1.00 0.00 H new ATOM 589 N ALA A 41 23.256 1.029 -4.271 1.00 0.00 N ATOM 590 CA ALA A 41 24.040 0.846 -5.475 1.00 0.00 C ATOM 591 C ALA A 41 25.352 1.609 -5.357 1.00 0.00 C ATOM 592 O ALA A 41 25.357 2.790 -5.018 1.00 0.00 O ATOM 593 CB ALA A 41 23.240 1.331 -6.682 1.00 0.00 C ATOM 0 H ALA A 41 23.170 2.000 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 41 24.268 -0.212 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.830 1.194 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.316 0.758 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.003 2.388 -6.560 1.00 0.00 H new ATOM 599 N VAL A 42 26.466 0.928 -5.638 1.00 0.00 N ATOM 600 CA VAL A 42 27.777 1.543 -5.562 1.00 0.00 C ATOM 601 C VAL A 42 28.445 1.501 -6.929 1.00 0.00 C ATOM 602 O VAL A 42 28.547 0.440 -7.541 1.00 0.00 O ATOM 603 CB VAL A 42 28.622 0.810 -4.524 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.399 -0.694 -4.657 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.097 1.128 -4.753 1.00 0.00 C ATOM 0 H VAL A 42 26.477 -0.052 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 42 27.678 2.586 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 42 28.331 1.133 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.002 -1.218 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.346 -0.921 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.690 -1.018 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.701 0.605 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.388 0.805 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.257 2.202 -4.658 1.00 0.00 H new ATOM 615 N TRP A 43 28.902 2.660 -7.407 1.00 0.00 N ATOM 616 CA TRP A 43 29.559 2.746 -8.696 1.00 0.00 C ATOM 617 C TRP A 43 31.021 3.123 -8.509 1.00 0.00 C ATOM 618 O TRP A 43 31.329 4.190 -7.984 1.00 0.00 O ATOM 619 CB TRP A 43 28.842 3.777 -9.563 1.00 0.00 C ATOM 620 CG TRP A 43 29.589 4.200 -10.787 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.411 3.690 -12.025 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.635 5.211 -10.918 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.269 4.312 -12.909 1.00 0.00 N ATOM 624 CE2 TRP A 43 31.048 5.261 -12.277 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.276 6.091 -10.028 1.00 0.00 C ATOM 626 CZ2 TRP A 43 32.041 6.134 -12.729 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.274 6.971 -10.472 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.658 6.995 -11.818 1.00 0.00 C ATOM 0 H TRP A 43 28.825 3.549 -6.913 1.00 0.00 H new ATOM 0 HA TRP A 43 29.517 1.777 -9.194 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.878 3.368 -9.867 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.637 4.660 -8.957 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.705 2.914 -12.283 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.321 4.098 -13.905 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.995 6.089 -8.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.328 6.143 -13.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.751 7.637 -9.768 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.428 7.676 -12.151 1.00 0.00 H new ATOM 639 N ARG A 44 31.924 2.240 -8.942 1.00 0.00 N ATOM 640 CA ARG A 44 33.348 2.479 -8.820 1.00 0.00 C ATOM 641 C ARG A 44 33.944 2.750 -10.194 1.00 0.00 C ATOM 642 O ARG A 44 33.442 2.256 -11.200 1.00 0.00 O ATOM 643 CB ARG A 44 34.014 1.270 -8.171 1.00 0.00 C ATOM 644 CG ARG A 44 32.950 0.398 -7.510 1.00 0.00 C ATOM 645 CD ARG A 44 33.597 -0.877 -6.975 1.00 0.00 C ATOM 646 NE ARG A 44 34.204 -1.651 -8.057 1.00 0.00 N ATOM 647 CZ ARG A 44 35.456 -1.439 -8.487 1.00 0.00 C ATOM 648 NH1 ARG A 44 36.207 -0.485 -7.919 1.00 0.00 N ATOM 649 NH2 ARG A 44 35.957 -2.181 -9.485 1.00 0.00 N ATOM 0 H ARG A 44 31.684 1.351 -9.381 1.00 0.00 H new ATOM 0 HA ARG A 44 33.521 3.352 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.557 0.694 -8.921 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.743 1.597 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.471 0.944 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.170 0.149 -8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.356 -0.621 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.848 -1.483 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 44 33.652 -2.383 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 44 35.826 0.080 -7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 44 37.160 -0.324 -8.246 1.00 0.00 H new ATOM 0 HH21 ARG A 44 35.386 -2.907 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 44 36.910 -2.020 -9.812 1.00 0.00 H new ATOM 663 N ARG A 45 35.021 3.539 -10.234 1.00 0.00 N ATOM 664 CA ARG A 45 35.680 3.871 -11.481 1.00 0.00 C ATOM 665 C ARG A 45 37.188 3.882 -11.281 1.00 0.00 C ATOM 666 O ARG A 45 37.729 4.791 -10.655 1.00 0.00 O ATOM 667 CB ARG A 45 35.190 5.233 -11.966 1.00 0.00 C ATOM 668 CG ARG A 45 35.569 6.302 -10.946 1.00 0.00 C ATOM 669 CD ARG A 45 36.724 7.139 -11.491 1.00 0.00 C ATOM 670 NE ARG A 45 36.423 8.568 -11.408 1.00 0.00 N ATOM 671 CZ ARG A 45 35.725 9.219 -12.349 1.00 0.00 C ATOM 672 NH1 ARG A 45 35.271 8.558 -13.422 1.00 0.00 N ATOM 673 NH2 ARG A 45 35.483 10.531 -12.217 1.00 0.00 N ATOM 0 H ARG A 45 35.450 3.957 -9.408 1.00 0.00 H new ATOM 0 HA ARG A 45 35.439 3.122 -12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.632 5.467 -12.935 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.109 5.214 -12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.711 6.940 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.857 5.835 -10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 45 37.632 6.922 -10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 45 36.919 6.865 -12.528 1.00 0.00 H new ATOM 0 HE ARG A 45 36.759 9.091 -10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 45 35.457 7.560 -13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 45 34.740 9.053 -14.139 1.00 0.00 H new ATOM 0 HH21 ARG A 45 35.830 11.034 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 45 34.952 11.026 -12.933 1.00 0.00 H new ATOM 687 N ASN A 46 37.869 2.865 -11.816 1.00 0.00 N ATOM 688 CA ASN A 46 39.310 2.764 -11.694 1.00 0.00 C ATOM 689 C ASN A 46 39.961 2.964 -13.055 1.00 0.00 C ATOM 690 O ASN A 46 39.554 2.348 -14.037 1.00 0.00 O ATOM 691 CB ASN A 46 39.675 1.399 -11.114 1.00 0.00 C ATOM 692 CG ASN A 46 39.086 0.277 -11.956 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.610 -0.045 -13.019 1.00 0.00 O ATOM 694 ND2 ASN A 46 37.993 -0.321 -11.477 1.00 0.00 N ATOM 0 H ASN A 46 37.436 2.102 -12.337 1.00 0.00 H new ATOM 0 HA ASN A 46 39.677 3.540 -11.023 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.759 1.296 -11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.306 1.324 -10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.557 -1.081 -11.999 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.594 -0.018 -10.589 1.00 0.00 H new ATOM 701 N ASP A 47 40.977 3.828 -13.109 1.00 0.00 N ATOM 702 CA ASP A 47 41.679 4.106 -14.345 1.00 0.00 C ATOM 703 C ASP A 47 40.682 4.212 -15.491 1.00 0.00 C ATOM 704 O ASP A 47 40.055 5.253 -15.675 1.00 0.00 O ATOM 705 CB ASP A 47 42.694 2.998 -14.613 1.00 0.00 C ATOM 706 CG ASP A 47 44.117 3.520 -14.481 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.586 4.141 -15.459 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.709 3.291 -13.404 1.00 0.00 O ATOM 0 H ASP A 47 41.327 4.345 -12.302 1.00 0.00 H new ATOM 0 HA ASP A 47 42.210 5.054 -14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.537 2.178 -13.912 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.542 2.595 -15.614 1.00 0.00 H new ATOM 713 N GLU A 48 40.538 3.132 -16.261 1.00 0.00 N ATOM 714 CA GLU A 48 39.618 3.112 -17.381 1.00 0.00 C ATOM 715 C GLU A 48 38.608 1.988 -17.204 1.00 0.00 C ATOM 716 O GLU A 48 37.861 1.667 -18.127 1.00 0.00 O ATOM 717 CB GLU A 48 40.402 2.936 -18.678 1.00 0.00 C ATOM 718 CG GLU A 48 41.119 1.591 -18.661 1.00 0.00 C ATOM 719 CD GLU A 48 41.961 1.406 -19.916 1.00 0.00 C ATOM 720 OE1 GLU A 48 41.363 1.041 -20.950 1.00 0.00 O ATOM 721 OE2 GLU A 48 43.186 1.633 -19.816 1.00 0.00 O ATOM 0 H GLU A 48 41.052 2.262 -16.122 1.00 0.00 H new ATOM 0 HA GLU A 48 39.074 4.055 -17.425 1.00 0.00 H new ATOM 0 HB2 GLU A 48 39.728 2.990 -19.533 1.00 0.00 H new ATOM 0 HB3 GLU A 48 41.125 3.744 -18.791 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.756 1.525 -17.779 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.388 0.786 -18.587 1.00 0.00 H new ATOM 728 N ASN A 49 38.586 1.387 -16.012 1.00 0.00 N ATOM 729 CA ASN A 49 37.668 0.304 -15.721 1.00 0.00 C ATOM 730 C ASN A 49 36.669 0.742 -14.660 1.00 0.00 C ATOM 731 O ASN A 49 36.968 0.708 -13.468 1.00 0.00 O ATOM 732 CB ASN A 49 38.456 -0.915 -15.251 1.00 0.00 C ATOM 733 CG ASN A 49 38.307 -2.069 -16.230 1.00 0.00 C ATOM 734 OD1 ASN A 49 37.271 -2.206 -16.878 1.00 0.00 O ATOM 735 ND2 ASN A 49 39.346 -2.901 -16.340 1.00 0.00 N ATOM 0 H ASN A 49 39.199 1.639 -15.236 1.00 0.00 H new ATOM 0 HA ASN A 49 37.115 0.039 -16.622 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.509 -0.654 -15.148 1.00 0.00 H new ATOM 0 HB3 ASN A 49 38.106 -1.222 -14.265 1.00 0.00 H new ATOM 0 HD21 ASN A 49 39.301 -3.691 -16.983 1.00 0.00 H new ATOM 0 HD22 ASN A 49 40.185 -2.746 -15.781 1.00 0.00 H new ATOM 742 N VAL A 50 35.477 1.154 -15.096 1.00 0.00 N ATOM 743 CA VAL A 50 34.439 1.595 -14.186 1.00 0.00 C ATOM 744 C VAL A 50 33.433 0.473 -13.970 1.00 0.00 C ATOM 745 O VAL A 50 32.781 0.029 -14.912 1.00 0.00 O ATOM 746 CB VAL A 50 33.754 2.833 -14.759 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.731 3.358 -13.756 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.799 3.911 -15.032 1.00 0.00 C ATOM 0 H VAL A 50 35.214 1.188 -16.081 1.00 0.00 H new ATOM 0 HA VAL A 50 34.879 1.853 -13.223 1.00 0.00 H new ATOM 0 HB VAL A 50 33.249 2.572 -15.689 1.00 0.00 H new ATOM 0 HG11 VAL A 50 32.241 4.242 -14.165 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.985 2.588 -13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 50 33.235 3.620 -12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 50 34.311 4.796 -15.441 1.00 0.00 H new ATOM 0 HG22 VAL A 50 35.304 4.173 -14.102 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.530 3.536 -15.748 1.00 0.00 H new ATOM 758 N THR A 51 33.307 0.015 -12.722 1.00 0.00 N ATOM 759 CA THR A 51 32.381 -1.049 -12.392 1.00 0.00 C ATOM 760 C THR A 51 31.286 -0.519 -11.478 1.00 0.00 C ATOM 761 O THR A 51 31.533 0.348 -10.643 1.00 0.00 O ATOM 762 CB THR A 51 33.139 -2.191 -11.721 1.00 0.00 C ATOM 763 OG1 THR A 51 33.134 -2.001 -10.324 1.00 0.00 O ATOM 764 CG2 THR A 51 34.579 -2.213 -12.227 1.00 0.00 C ATOM 0 H THR A 51 33.840 0.371 -11.928 1.00 0.00 H new ATOM 0 HA THR A 51 31.914 -1.424 -13.303 1.00 0.00 H new ATOM 0 HB THR A 51 32.656 -3.138 -11.961 1.00 0.00 H new ATOM 0 HG1 THR A 51 32.347 -2.439 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.121 -3.029 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.583 -2.360 -13.307 1.00 0.00 H new ATOM 0 HG23 THR A 51 35.063 -1.266 -11.988 1.00 0.00 H new ATOM 772 N LEU A 52 30.069 -1.043 -11.639 1.00 0.00 N ATOM 773 CA LEU A 52 28.941 -0.625 -10.831 1.00 0.00 C ATOM 774 C LEU A 52 28.281 -1.840 -10.195 1.00 0.00 C ATOM 775 O LEU A 52 28.081 -2.858 -10.854 1.00 0.00 O ATOM 776 CB LEU A 52 27.945 0.136 -11.704 1.00 0.00 C ATOM 777 CG LEU A 52 27.016 0.957 -10.815 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.225 1.938 -11.676 1.00 0.00 C ATOM 779 CD2 LEU A 52 26.051 0.024 -10.089 1.00 0.00 C ATOM 0 H LEU A 52 29.847 -1.761 -12.328 1.00 0.00 H new ATOM 0 HA LEU A 52 29.285 0.034 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.476 0.790 -12.396 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.365 -0.563 -12.307 1.00 0.00 H new ATOM 0 HG LEU A 52 27.606 1.509 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.561 2.525 -11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.914 2.604 -12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.634 1.386 -12.407 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.387 0.610 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.460 -0.528 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.616 -0.677 -9.474 1.00 0.00 H new ATOM 791 N GLU A 53 27.943 -1.730 -8.908 1.00 0.00 N ATOM 792 CA GLU A 53 27.308 -2.819 -8.191 1.00 0.00 C ATOM 793 C GLU A 53 25.966 -2.362 -7.637 1.00 0.00 C ATOM 794 O GLU A 53 25.853 -1.264 -7.098 1.00 0.00 O ATOM 795 CB GLU A 53 28.225 -3.290 -7.067 1.00 0.00 C ATOM 796 CG GLU A 53 29.606 -3.606 -7.635 1.00 0.00 C ATOM 797 CD GLU A 53 30.631 -2.580 -7.175 1.00 0.00 C ATOM 798 OE1 GLU A 53 31.154 -2.763 -6.054 1.00 0.00 O ATOM 799 OE2 GLU A 53 30.872 -1.631 -7.952 1.00 0.00 O ATOM 0 H GLU A 53 28.102 -0.893 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 53 27.131 -3.652 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 53 28.303 -2.519 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 53 27.806 -4.175 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 53 29.915 -4.602 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 53 29.561 -3.618 -8.724 1.00 0.00 H new ATOM 806 N THR A 54 24.945 -3.211 -7.773 1.00 0.00 N ATOM 807 CA THR A 54 23.618 -2.891 -7.284 1.00 0.00 C ATOM 808 C THR A 54 23.005 -4.110 -6.611 1.00 0.00 C ATOM 809 O THR A 54 22.962 -5.192 -7.194 1.00 0.00 O ATOM 810 CB THR A 54 22.749 -2.422 -8.447 1.00 0.00 C ATOM 811 OG1 THR A 54 23.440 -1.437 -9.182 1.00 0.00 O ATOM 812 CG2 THR A 54 21.449 -1.833 -7.905 1.00 0.00 C ATOM 0 H THR A 54 25.020 -4.125 -8.220 1.00 0.00 H new ATOM 0 HA THR A 54 23.682 -2.090 -6.547 1.00 0.00 H new ATOM 0 HB THR A 54 22.522 -3.268 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.883 -1.853 -9.951 1.00 0.00 H new ATOM 0 HG21 THR A 54 20.828 -1.498 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.915 -2.593 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 54 21.676 -0.987 -7.256 1.00 0.00 H new ATOM 820 N ILE A 55 22.529 -3.933 -5.375 1.00 0.00 N ATOM 821 CA ILE A 55 21.921 -5.013 -4.626 1.00 0.00 C ATOM 822 C ILE A 55 21.169 -4.449 -3.429 1.00 0.00 C ATOM 823 O ILE A 55 21.264 -3.259 -3.139 1.00 0.00 O ATOM 824 CB ILE A 55 23.000 -5.993 -4.176 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.297 -5.233 -3.910 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.235 -7.030 -5.270 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.001 -4.007 -3.051 1.00 0.00 C ATOM 0 H ILE A 55 22.558 -3.043 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 55 21.211 -5.545 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 55 22.677 -6.494 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.013 -5.880 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.753 -4.929 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.006 -7.730 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.309 -7.573 -5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.558 -6.529 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.927 -3.464 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.300 -3.357 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.565 -4.323 -2.104 1.00 0.00 H new ATOM 839 N CYS A 56 20.421 -5.308 -2.732 1.00 0.00 N ATOM 840 CA CYS A 56 19.659 -4.893 -1.571 1.00 0.00 C ATOM 841 C CYS A 56 20.561 -4.868 -0.345 1.00 0.00 C ATOM 842 O CYS A 56 20.526 -5.784 0.473 1.00 0.00 O ATOM 843 CB CYS A 56 18.489 -5.850 -1.363 1.00 0.00 C ATOM 844 SG CYS A 56 16.951 -5.034 -0.869 1.00 0.00 S ATOM 0 H CYS A 56 20.332 -6.298 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 56 19.266 -3.889 -1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.315 -6.402 -2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.761 -6.581 -0.602 1.00 0.00 H new ATOM 849 N HIS A 57 21.370 -3.813 -0.219 1.00 0.00 N ATOM 850 CA HIS A 57 22.276 -3.679 0.904 1.00 0.00 C ATOM 851 C HIS A 57 21.672 -2.753 1.951 1.00 0.00 C ATOM 852 O HIS A 57 20.854 -1.894 1.627 1.00 0.00 O ATOM 853 CB HIS A 57 23.616 -3.138 0.413 1.00 0.00 C ATOM 854 CG HIS A 57 24.531 -2.746 1.541 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.380 -3.584 2.226 1.00 0.00 N ATOM 856 CD2 HIS A 57 24.669 -1.491 2.069 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.016 -2.843 3.150 1.00 0.00 C ATOM 858 NE2 HIS A 57 25.618 -1.561 3.094 1.00 0.00 N ATOM 0 H HIS A 57 21.410 -3.043 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 57 22.437 -4.655 1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.106 -3.894 -0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.442 -2.272 -0.226 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.140 -0.605 1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.749 -3.227 3.844 1.00 0.00 H new ATOM 0 HE2 HIS A 57 25.943 -0.793 3.681 1.00 0.00 H new ATOM 866 N ASP A 58 22.078 -2.931 3.210 1.00 0.00 N ATOM 867 CA ASP A 58 21.576 -2.115 4.297 1.00 0.00 C ATOM 868 C ASP A 58 22.528 -0.955 4.553 1.00 0.00 C ATOM 869 O ASP A 58 23.739 -1.152 4.636 1.00 0.00 O ATOM 870 CB ASP A 58 21.421 -2.974 5.549 1.00 0.00 C ATOM 871 CG ASP A 58 20.141 -3.797 5.489 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.995 -4.547 4.501 1.00 0.00 O ATOM 873 OD2 ASP A 58 19.333 -3.657 6.433 1.00 0.00 O ATOM 0 H ASP A 58 22.756 -3.638 3.494 1.00 0.00 H new ATOM 0 HA ASP A 58 20.601 -1.707 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.280 -3.637 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.407 -2.336 6.433 1.00 0.00 H new ATOM 878 N PRO A 59 21.979 0.255 4.678 1.00 0.00 N ATOM 879 CA PRO A 59 22.727 1.468 4.925 1.00 0.00 C ATOM 880 C PRO A 59 23.235 1.472 6.360 1.00 0.00 C ATOM 881 O PRO A 59 23.563 2.526 6.901 1.00 0.00 O ATOM 882 CB PRO A 59 21.726 2.600 4.695 1.00 0.00 C ATOM 883 CG PRO A 59 20.395 1.956 5.083 1.00 0.00 C ATOM 884 CD PRO A 59 20.559 0.521 4.587 1.00 0.00 C ATOM 0 HA PRO A 59 23.599 1.567 4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.950 3.470 5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.726 2.936 3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.224 1.996 6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.550 2.455 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.987 -0.176 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.202 0.414 3.563 1.00 0.00 H new ATOM 892 N GLN A 60 23.299 0.289 6.975 1.00 0.00 N ATOM 893 CA GLN A 60 23.764 0.164 8.342 1.00 0.00 C ATOM 894 C GLN A 60 25.211 -0.307 8.355 1.00 0.00 C ATOM 895 O GLN A 60 26.032 0.220 9.104 1.00 0.00 O ATOM 896 CB GLN A 60 22.869 -0.819 9.092 1.00 0.00 C ATOM 897 CG GLN A 60 22.900 -0.497 10.585 1.00 0.00 C ATOM 898 CD GLN A 60 21.541 -0.750 11.222 1.00 0.00 C ATOM 899 OE1 GLN A 60 20.525 -0.259 10.737 1.00 0.00 O ATOM 900 NE2 GLN A 60 21.526 -1.519 12.313 1.00 0.00 N ATOM 0 H GLN A 60 23.032 -0.594 6.539 1.00 0.00 H new ATOM 0 HA GLN A 60 23.715 1.134 8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.848 -0.757 8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.210 -1.840 8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.657 -1.108 11.077 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.187 0.544 10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.397 -1.904 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.643 -1.722 12.782 1.00 0.00 H new ATOM 909 N LYS A 61 25.523 -1.301 7.521 1.00 0.00 N ATOM 910 CA LYS A 61 26.868 -1.836 7.441 1.00 0.00 C ATOM 911 C LYS A 61 27.704 -0.994 6.486 1.00 0.00 C ATOM 912 O LYS A 61 27.165 -0.341 5.595 1.00 0.00 O ATOM 913 CB LYS A 61 26.810 -3.287 6.973 1.00 0.00 C ATOM 914 CG LYS A 61 26.042 -4.120 7.995 1.00 0.00 C ATOM 915 CD LYS A 61 25.060 -5.037 7.269 1.00 0.00 C ATOM 916 CE LYS A 61 24.777 -6.263 8.133 1.00 0.00 C ATOM 917 NZ LYS A 61 24.782 -7.491 7.322 1.00 0.00 N ATOM 0 H LYS A 61 24.855 -1.747 6.893 1.00 0.00 H new ATOM 0 HA LYS A 61 27.335 -1.803 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.324 -3.347 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.819 -3.682 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 61 26.735 -4.712 8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.506 -3.467 8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 61 24.133 -4.503 7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.474 -5.343 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.528 -6.339 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.810 -6.151 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.587 -8.311 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.049 -7.425 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.713 -7.607 6.873 1.00 0.00 H new ATOM 931 N ARG A 62 29.025 -1.013 6.675 1.00 0.00 N ATOM 932 CA ARG A 62 29.928 -0.253 5.835 1.00 0.00 C ATOM 933 C ARG A 62 30.366 -1.101 4.649 1.00 0.00 C ATOM 934 O ARG A 62 30.918 -2.185 4.828 1.00 0.00 O ATOM 935 CB ARG A 62 31.136 0.190 6.657 1.00 0.00 C ATOM 936 CG ARG A 62 30.872 1.573 7.243 1.00 0.00 C ATOM 937 CD ARG A 62 29.607 1.532 8.096 1.00 0.00 C ATOM 938 NE ARG A 62 29.864 2.040 9.444 1.00 0.00 N ATOM 939 CZ ARG A 62 28.891 2.489 10.248 1.00 0.00 C ATOM 940 NH1 ARG A 62 27.619 2.484 9.828 1.00 0.00 N ATOM 941 NH2 ARG A 62 29.191 2.944 11.472 1.00 0.00 N ATOM 0 H ARG A 62 29.486 -1.552 7.408 1.00 0.00 H new ATOM 0 HA ARG A 62 29.418 0.633 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 62 31.327 -0.525 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 62 32.027 0.213 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 62 31.721 1.891 7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 62 30.760 2.304 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 62 28.826 2.127 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 62 29.237 0.508 8.154 1.00 0.00 H new ATOM 0 HE ARG A 62 30.825 2.053 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 62 27.391 2.138 8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 62 26.878 2.826 10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 62 30.160 2.948 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 62 28.451 3.286 12.085 1.00 0.00 H new ATOM 955 N LEU A 63 30.116 -0.606 3.435 1.00 0.00 N ATOM 956 CA LEU A 63 30.484 -1.318 2.228 1.00 0.00 C ATOM 957 C LEU A 63 31.761 -0.727 1.647 1.00 0.00 C ATOM 958 O LEU A 63 31.883 0.489 1.518 1.00 0.00 O ATOM 959 CB LEU A 63 29.343 -1.232 1.219 1.00 0.00 C ATOM 960 CG LEU A 63 29.777 -1.872 -0.096 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.385 -3.348 -0.097 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.088 -1.163 -1.260 1.00 0.00 C ATOM 0 H LEU A 63 29.658 0.290 3.270 1.00 0.00 H new ATOM 0 HA LEU A 63 30.667 -2.367 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.460 -1.739 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.066 -0.191 1.055 1.00 0.00 H new ATOM 0 HG LEU A 63 30.858 -1.782 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.695 -3.806 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 63 29.876 -3.855 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.304 -3.437 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.398 -1.620 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.007 -1.253 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.366 -0.109 -1.260 1.00 0.00 H new ATOM 974 N TYR A 64 32.716 -1.592 1.298 1.00 0.00 N ATOM 975 CA TYR A 64 33.977 -1.152 0.738 1.00 0.00 C ATOM 976 C TYR A 64 34.580 -0.064 1.613 1.00 0.00 C ATOM 977 O TYR A 64 35.393 0.734 1.149 1.00 0.00 O ATOM 978 CB TYR A 64 33.749 -0.640 -0.682 1.00 0.00 C ATOM 979 CG TYR A 64 32.950 -1.588 -1.544 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.351 -2.924 -1.673 1.00 0.00 C ATOM 981 CD2 TYR A 64 31.809 -1.132 -2.214 1.00 0.00 C ATOM 982 CE1 TYR A 64 32.611 -3.802 -2.473 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.069 -2.012 -3.014 1.00 0.00 C ATOM 984 CZ TYR A 64 31.470 -3.346 -3.143 1.00 0.00 C ATOM 985 OH TYR A 64 30.749 -4.202 -3.923 1.00 0.00 O ATOM 0 H TYR A 64 32.631 -2.604 1.397 1.00 0.00 H new ATOM 0 HA TYR A 64 34.675 -1.988 0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.232 0.319 -0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.715 -0.459 -1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.231 -3.276 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.499 -0.102 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 64 32.921 -4.832 -2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.189 -1.661 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 64 30.869 -3.965 -4.866 1.00 0.00 H new ATOM 995 N GLY A 65 34.180 -0.031 2.887 1.00 0.00 N ATOM 996 CA GLY A 65 34.683 0.959 3.817 1.00 0.00 C ATOM 997 C GLY A 65 33.946 2.278 3.635 1.00 0.00 C ATOM 998 O GLY A 65 34.452 3.335 4.006 1.00 0.00 O ATOM 0 H GLY A 65 33.508 -0.684 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 65 34.558 0.603 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 65 35.751 1.107 3.659 1.00 0.00 H new ATOM 1002 N HIS A 66 32.743 2.213 3.059 1.00 0.00 N ATOM 1003 CA HIS A 66 31.943 3.401 2.829 1.00 0.00 C ATOM 1004 C HIS A 66 30.651 3.320 3.629 1.00 0.00 C ATOM 1005 O HIS A 66 29.945 2.315 3.577 1.00 0.00 O ATOM 1006 CB HIS A 66 31.648 3.533 1.338 1.00 0.00 C ATOM 1007 CG HIS A 66 32.854 3.259 0.481 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.151 3.619 0.767 1.00 0.00 N ATOM 1009 CD2 HIS A 66 32.858 2.606 -0.722 1.00 0.00 C ATOM 1010 CE1 HIS A 66 34.919 3.188 -0.250 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.178 2.566 -1.182 1.00 0.00 N ATOM 0 H HIS A 66 32.308 1.345 2.746 1.00 0.00 H new ATOM 0 HA HIS A 66 32.494 4.282 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 66 30.850 2.842 1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.282 4.539 1.132 1.00 0.00 H new ATOM 0 HD1 HIS A 66 34.471 4.120 1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 66 31.996 2.195 -1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 66 35.989 3.324 -0.309 1.00 0.00 H new ATOM 1019 N MET A 67 30.342 4.385 4.373 1.00 0.00 N ATOM 1020 CA MET A 67 29.138 4.428 5.179 1.00 0.00 C ATOM 1021 C MET A 67 28.061 5.228 4.461 1.00 0.00 C ATOM 1022 O MET A 67 28.118 6.455 4.416 1.00 0.00 O ATOM 1023 CB MET A 67 29.459 5.053 6.535 1.00 0.00 C ATOM 1024 CG MET A 67 30.825 4.564 7.010 1.00 0.00 C ATOM 1025 SD MET A 67 31.889 5.876 7.661 1.00 0.00 S ATOM 1026 CE MET A 67 33.450 5.396 6.881 1.00 0.00 C ATOM 0 H MET A 67 30.916 5.226 4.428 1.00 0.00 H new ATOM 0 HA MET A 67 28.766 3.416 5.336 1.00 0.00 H new ATOM 0 HB2 MET A 67 29.457 6.140 6.456 1.00 0.00 H new ATOM 0 HB3 MET A 67 28.692 4.785 7.262 1.00 0.00 H new ATOM 0 HG2 MET A 67 30.681 3.809 7.783 1.00 0.00 H new ATOM 0 HG3 MET A 67 31.334 4.076 6.179 1.00 0.00 H new ATOM 0 HE1 MET A 67 34.232 6.098 7.170 1.00 0.00 H new ATOM 0 HE2 MET A 67 33.725 4.392 7.205 1.00 0.00 H new ATOM 0 HE3 MET A 67 33.334 5.408 5.797 1.00 0.00 H new ATOM 1036 N LEU A 68 27.074 4.526 3.897 1.00 0.00 N ATOM 1037 CA LEU A 68 25.989 5.170 3.184 1.00 0.00 C ATOM 1038 C LEU A 68 25.122 5.953 4.161 1.00 0.00 C ATOM 1039 O LEU A 68 24.731 5.432 5.203 1.00 0.00 O ATOM 1040 CB LEU A 68 25.162 4.113 2.456 1.00 0.00 C ATOM 1041 CG LEU A 68 26.080 2.992 1.978 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.738 1.703 2.721 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.887 2.781 0.479 1.00 0.00 C ATOM 0 H LEU A 68 27.012 3.508 3.926 1.00 0.00 H new ATOM 0 HA LEU A 68 26.394 5.866 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.397 3.713 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.645 4.561 1.608 1.00 0.00 H new ATOM 0 HG LEU A 68 27.117 3.262 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.393 0.902 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.875 1.853 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.701 1.433 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.543 1.980 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.850 2.511 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.130 3.701 -0.052 1.00 0.00 H new ATOM 1055 N ASP A 69 24.823 7.208 3.820 1.00 0.00 N ATOM 1056 CA ASP A 69 24.006 8.056 4.665 1.00 0.00 C ATOM 1057 C ASP A 69 22.991 8.806 3.815 1.00 0.00 C ATOM 1058 O ASP A 69 23.084 10.021 3.661 1.00 0.00 O ATOM 1059 CB ASP A 69 24.903 9.031 5.423 1.00 0.00 C ATOM 1060 CG ASP A 69 25.552 8.354 6.622 1.00 0.00 C ATOM 1061 OD1 ASP A 69 24.852 8.226 7.649 1.00 0.00 O ATOM 1062 OD2 ASP A 69 26.736 7.976 6.488 1.00 0.00 O ATOM 0 H ASP A 69 25.140 7.654 2.959 1.00 0.00 H new ATOM 0 HA ASP A 69 23.464 7.445 5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 69 25.675 9.415 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.316 9.886 5.757 1.00 0.00 H new ATOM 1067 N ASP A 70 22.018 8.077 3.263 1.00 0.00 N ATOM 1068 CA ASP A 70 20.993 8.676 2.432 1.00 0.00 C ATOM 1069 C ASP A 70 20.022 7.603 1.958 1.00 0.00 C ATOM 1070 O ASP A 70 19.670 7.559 0.783 1.00 0.00 O ATOM 1071 CB ASP A 70 21.646 9.375 1.244 1.00 0.00 C ATOM 1072 CG ASP A 70 21.070 10.771 1.050 1.00 0.00 C ATOM 1073 OD1 ASP A 70 21.065 11.526 2.046 1.00 0.00 O ATOM 1074 OD2 ASP A 70 20.645 11.056 -0.090 1.00 0.00 O ATOM 0 H ASP A 70 21.926 7.068 3.382 1.00 0.00 H new ATOM 0 HA ASP A 70 20.436 9.414 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.722 9.440 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.492 8.785 0.340 1.00 0.00 H new ATOM 1079 N SER A 71 19.591 6.738 2.880 1.00 0.00 N ATOM 1080 CA SER A 71 18.664 5.673 2.551 1.00 0.00 C ATOM 1081 C SER A 71 17.243 6.101 2.894 1.00 0.00 C ATOM 1082 O SER A 71 16.290 5.664 2.253 1.00 0.00 O ATOM 1083 CB SER A 71 19.049 4.411 3.318 1.00 0.00 C ATOM 1084 OG SER A 71 18.863 4.625 4.698 1.00 0.00 O ATOM 0 H SER A 71 19.875 6.762 3.859 1.00 0.00 H new ATOM 0 HA SER A 71 18.710 5.462 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.441 3.570 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.089 4.153 3.116 1.00 0.00 H new ATOM 0 HG SER A 71 19.735 4.667 5.143 1.00 0.00 H new ATOM 1090 N SER A 72 17.106 6.958 3.908 1.00 0.00 N ATOM 1091 CA SER A 72 15.806 7.441 4.327 1.00 0.00 C ATOM 1092 C SER A 72 15.328 8.530 3.378 1.00 0.00 C ATOM 1093 O SER A 72 14.179 8.961 3.451 1.00 0.00 O ATOM 1094 CB SER A 72 15.898 7.969 5.756 1.00 0.00 C ATOM 1095 OG SER A 72 16.658 9.157 5.768 1.00 0.00 O ATOM 0 H SER A 72 17.887 7.328 4.450 1.00 0.00 H new ATOM 0 HA SER A 72 15.085 6.624 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.900 8.159 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.359 7.222 6.402 1.00 0.00 H new ATOM 0 HG SER A 72 16.717 9.499 6.685 1.00 0.00 H new ATOM 1101 N SER A 73 16.216 8.976 2.485 1.00 0.00 N ATOM 1102 CA SER A 73 15.880 10.010 1.527 1.00 0.00 C ATOM 1103 C SER A 73 15.186 9.391 0.321 1.00 0.00 C ATOM 1104 O SER A 73 15.411 8.226 0.001 1.00 0.00 O ATOM 1105 CB SER A 73 17.151 10.741 1.104 1.00 0.00 C ATOM 1106 OG SER A 73 16.811 11.999 0.563 1.00 0.00 O ATOM 0 H SER A 73 17.173 8.630 2.413 1.00 0.00 H new ATOM 0 HA SER A 73 15.198 10.727 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.813 10.868 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.695 10.151 0.366 1.00 0.00 H new ATOM 0 HG SER A 73 17.627 12.470 0.293 1.00 0.00 H new ATOM 1112 N GLU A 74 14.340 10.177 -0.349 1.00 0.00 N ATOM 1113 CA GLU A 74 13.621 9.703 -1.515 1.00 0.00 C ATOM 1114 C GLU A 74 14.590 9.483 -2.669 1.00 0.00 C ATOM 1115 O GLU A 74 14.458 8.522 -3.421 1.00 0.00 O ATOM 1116 CB GLU A 74 12.547 10.718 -1.896 1.00 0.00 C ATOM 1117 CG GLU A 74 11.171 10.072 -1.773 1.00 0.00 C ATOM 1118 CD GLU A 74 10.110 10.918 -2.461 1.00 0.00 C ATOM 1119 OE1 GLU A 74 9.802 11.999 -1.913 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.627 10.470 -3.523 1.00 0.00 O ATOM 0 H GLU A 74 14.142 11.145 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 74 13.140 8.752 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.610 11.591 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.707 11.067 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.191 9.076 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.916 9.947 -0.721 1.00 0.00 H new ATOM 1127 N GLN A 75 15.568 10.383 -2.805 1.00 0.00 N ATOM 1128 CA GLN A 75 16.552 10.284 -3.864 1.00 0.00 C ATOM 1129 C GLN A 75 17.871 9.776 -3.299 1.00 0.00 C ATOM 1130 O GLN A 75 18.317 10.234 -2.249 1.00 0.00 O ATOM 1131 CB GLN A 75 16.735 11.653 -4.515 1.00 0.00 C ATOM 1132 CG GLN A 75 17.042 12.691 -3.439 1.00 0.00 C ATOM 1133 CD GLN A 75 16.893 14.102 -3.989 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.901 14.414 -4.644 1.00 0.00 O ATOM 1135 NE2 GLN A 75 17.883 14.957 -3.720 1.00 0.00 N ATOM 0 H GLN A 75 15.692 11.187 -2.189 1.00 0.00 H new ATOM 0 HA GLN A 75 16.208 9.578 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.546 11.616 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.832 11.933 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.369 12.553 -2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.056 12.546 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 75 18.687 14.651 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.835 15.916 -4.063 1.00 0.00 H new ATOM 1144 N CYS A 76 18.494 8.825 -3.998 1.00 0.00 N ATOM 1145 CA CYS A 76 19.756 8.259 -3.565 1.00 0.00 C ATOM 1146 C CYS A 76 20.909 9.048 -4.172 1.00 0.00 C ATOM 1147 O CYS A 76 20.955 9.250 -5.383 1.00 0.00 O ATOM 1148 CB CYS A 76 19.824 6.793 -3.981 1.00 0.00 C ATOM 1149 SG CYS A 76 20.990 5.807 -3.009 1.00 0.00 S ATOM 0 H CYS A 76 18.136 8.435 -4.870 1.00 0.00 H new ATOM 0 HA CYS A 76 19.834 8.318 -2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.830 6.354 -3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.105 6.737 -5.033 1.00 0.00 H new ATOM 1154 N VAL A 77 21.841 9.492 -3.326 1.00 0.00 N ATOM 1155 CA VAL A 77 22.986 10.254 -3.780 1.00 0.00 C ATOM 1156 C VAL A 77 24.254 9.430 -3.608 1.00 0.00 C ATOM 1157 O VAL A 77 24.416 8.738 -2.605 1.00 0.00 O ATOM 1158 CB VAL A 77 23.075 11.557 -2.991 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.795 11.302 -1.669 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.852 12.590 -3.802 1.00 0.00 C ATOM 0 H VAL A 77 21.817 9.331 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 77 22.873 10.493 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 77 22.071 11.931 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.859 12.232 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.241 10.563 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.799 10.928 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.916 13.521 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.856 12.216 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.339 12.772 -4.747 1.00 0.00 H new ATOM 1170 N MET A 78 25.155 9.505 -4.591 1.00 0.00 N ATOM 1171 CA MET A 78 26.400 8.766 -4.541 1.00 0.00 C ATOM 1172 C MET A 78 27.439 9.553 -3.754 1.00 0.00 C ATOM 1173 O MET A 78 27.789 10.671 -4.126 1.00 0.00 O ATOM 1174 CB MET A 78 26.888 8.497 -5.961 1.00 0.00 C ATOM 1175 CG MET A 78 26.377 7.137 -6.426 1.00 0.00 C ATOM 1176 SD MET A 78 27.644 6.102 -7.202 1.00 0.00 S ATOM 1177 CE MET A 78 26.805 4.500 -7.110 1.00 0.00 C ATOM 0 H MET A 78 25.037 10.074 -5.429 1.00 0.00 H new ATOM 0 HA MET A 78 26.240 7.812 -4.038 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.534 9.279 -6.633 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.977 8.518 -5.993 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.961 6.605 -5.571 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.562 7.289 -7.134 1.00 0.00 H new ATOM 0 HE1 MET A 78 27.415 3.802 -6.537 1.00 0.00 H new ATOM 0 HE2 MET A 78 25.839 4.623 -6.621 1.00 0.00 H new ATOM 0 HE3 MET A 78 26.655 4.109 -8.117 1.00 0.00 H new ATOM 1187 N LYS A 79 27.934 8.963 -2.663 1.00 0.00 N ATOM 1188 CA LYS A 79 28.929 9.610 -1.832 1.00 0.00 C ATOM 1189 C LYS A 79 30.325 9.196 -2.277 1.00 0.00 C ATOM 1190 O LYS A 79 30.508 8.116 -2.834 1.00 0.00 O ATOM 1191 CB LYS A 79 28.694 9.233 -0.372 1.00 0.00 C ATOM 1192 CG LYS A 79 28.707 10.494 0.487 1.00 0.00 C ATOM 1193 CD LYS A 79 27.306 11.098 0.526 1.00 0.00 C ATOM 1194 CE LYS A 79 27.321 12.362 1.380 1.00 0.00 C ATOM 1195 NZ LYS A 79 26.013 12.582 2.019 1.00 0.00 N ATOM 0 H LYS A 79 27.655 8.036 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 79 28.844 10.692 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.739 8.719 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.467 8.542 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.040 10.255 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.415 11.216 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 79 26.971 11.333 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 79 26.599 10.377 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.094 12.280 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.576 13.221 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 26.049 13.448 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 25.281 12.683 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 25.783 11.771 2.628 1.00 0.00 H new ATOM 1209 N GLU A 80 31.312 10.061 -2.029 1.00 0.00 N ATOM 1210 CA GLU A 80 32.683 9.780 -2.404 1.00 0.00 C ATOM 1211 C GLU A 80 33.481 9.359 -1.179 1.00 0.00 C ATOM 1212 O GLU A 80 33.696 10.157 -0.269 1.00 0.00 O ATOM 1213 CB GLU A 80 33.296 11.019 -3.049 1.00 0.00 C ATOM 1214 CG GLU A 80 33.397 12.136 -2.013 1.00 0.00 C ATOM 1215 CD GLU A 80 34.812 12.242 -1.466 1.00 0.00 C ATOM 1216 OE1 GLU A 80 35.748 12.030 -2.266 1.00 0.00 O ATOM 1217 OE2 GLU A 80 34.932 12.535 -0.255 1.00 0.00 O ATOM 0 H GLU A 80 31.177 10.961 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 80 32.705 8.961 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.284 10.785 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.685 11.344 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 80 33.105 13.084 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 80 32.701 11.944 -1.197 1.00 0.00 H new ATOM 1224 N LYS A 81 33.922 8.098 -1.158 1.00 0.00 N ATOM 1225 CA LYS A 81 34.693 7.579 -0.047 1.00 0.00 C ATOM 1226 C LYS A 81 36.146 7.396 -0.465 1.00 0.00 C ATOM 1227 O LYS A 81 36.443 7.275 -1.651 1.00 0.00 O ATOM 1228 CB LYS A 81 34.093 6.253 0.412 1.00 0.00 C ATOM 1229 CG LYS A 81 32.987 6.521 1.429 1.00 0.00 C ATOM 1230 CD LYS A 81 31.786 7.144 0.722 1.00 0.00 C ATOM 1231 CE LYS A 81 30.528 6.910 1.554 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.446 7.866 2.669 1.00 0.00 N ATOM 0 H LYS A 81 33.753 7.424 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 81 34.661 8.285 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 81 33.692 5.708 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.866 5.626 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.694 5.591 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 81 33.350 7.190 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 81 31.948 8.213 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.666 6.706 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 81 29.646 7.008 0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.530 5.892 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.573 7.696 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.269 7.743 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 30.438 8.836 2.295 1.00 0.00 H new ATOM 1246 N LYS A 82 37.051 7.377 0.515 1.00 0.00 N ATOM 1247 CA LYS A 82 38.465 7.210 0.246 1.00 0.00 C ATOM 1248 C LYS A 82 38.689 5.954 -0.586 1.00 0.00 C ATOM 1249 O LYS A 82 38.635 4.843 -0.065 1.00 0.00 O ATOM 1250 CB LYS A 82 39.228 7.127 1.564 1.00 0.00 C ATOM 1251 CG LYS A 82 38.727 5.930 2.367 1.00 0.00 C ATOM 1252 CD LYS A 82 38.380 6.376 3.785 1.00 0.00 C ATOM 1253 CE LYS A 82 37.426 5.366 4.417 1.00 0.00 C ATOM 1254 NZ LYS A 82 36.199 5.226 3.617 1.00 0.00 N ATOM 0 H LYS A 82 36.820 7.476 1.504 1.00 0.00 H new ATOM 0 HA LYS A 82 38.833 8.066 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.296 7.028 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.090 8.045 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 82 37.850 5.497 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.491 5.153 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.287 6.459 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 82 37.920 7.364 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.920 4.398 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 82 37.171 5.685 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 35.450 4.804 4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 35.893 6.163 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 36.386 4.612 2.799 1.00 0.00 H new ATOM 1268 N ASP A 83 38.941 6.136 -1.884 1.00 0.00 N ATOM 1269 CA ASP A 83 39.170 5.020 -2.781 1.00 0.00 C ATOM 1270 C ASP A 83 40.521 5.179 -3.464 1.00 0.00 C ATOM 1271 O ASP A 83 40.703 6.078 -4.282 1.00 0.00 O ATOM 1272 CB ASP A 83 38.046 4.958 -3.811 1.00 0.00 C ATOM 1273 CG ASP A 83 36.688 4.862 -3.130 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.553 3.978 -2.257 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.812 5.675 -3.495 1.00 0.00 O ATOM 0 H ASP A 83 38.990 7.052 -2.331 1.00 0.00 H new ATOM 0 HA ASP A 83 39.178 4.088 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.078 5.845 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.192 4.097 -4.463 1.00 0.00 H new ATOM 1280 N ASP A 84 41.469 4.302 -3.126 1.00 0.00 N ATOM 1281 CA ASP A 84 42.796 4.350 -3.707 1.00 0.00 C ATOM 1282 C ASP A 84 42.855 3.448 -4.932 1.00 0.00 C ATOM 1283 O ASP A 84 42.484 2.279 -4.863 1.00 0.00 O ATOM 1284 CB ASP A 84 43.823 3.915 -2.666 1.00 0.00 C ATOM 1285 CG ASP A 84 45.193 4.499 -2.976 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.897 3.885 -3.808 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.513 5.547 -2.376 1.00 0.00 O ATOM 0 H ASP A 84 41.333 3.551 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 84 43.024 5.369 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.502 4.238 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 84 43.884 2.827 -2.643 1.00 0.00 H new ATOM 1292 N GLY A 85 43.322 3.996 -6.057 1.00 0.00 N ATOM 1293 CA GLY A 85 43.425 3.237 -7.287 1.00 0.00 C ATOM 1294 C GLY A 85 42.218 3.506 -8.175 1.00 0.00 C ATOM 1295 O GLY A 85 42.204 3.123 -9.343 1.00 0.00 O ATOM 0 H GLY A 85 43.633 4.965 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.340 3.507 -7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.489 2.173 -7.061 1.00 0.00 H new ATOM 1299 N GLY A 86 41.202 4.168 -7.616 1.00 0.00 N ATOM 1300 CA GLY A 86 39.999 4.483 -8.360 1.00 0.00 C ATOM 1301 C GLY A 86 38.956 5.102 -7.439 1.00 0.00 C ATOM 1302 O GLY A 86 39.119 5.098 -6.221 1.00 0.00 O ATOM 0 H GLY A 86 41.197 4.493 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.234 5.173 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.599 3.578 -8.818 1.00 0.00 H new ATOM 1306 N LEU A 87 37.883 5.635 -8.026 1.00 0.00 N ATOM 1307 CA LEU A 87 36.820 6.255 -7.260 1.00 0.00 C ATOM 1308 C LEU A 87 35.691 5.257 -7.043 1.00 0.00 C ATOM 1309 O LEU A 87 35.293 4.553 -7.968 1.00 0.00 O ATOM 1310 CB LEU A 87 36.315 7.490 -8.000 1.00 0.00 C ATOM 1311 CG LEU A 87 37.053 8.725 -7.492 1.00 0.00 C ATOM 1312 CD1 LEU A 87 36.935 8.799 -5.972 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.526 8.634 -7.884 1.00 0.00 C ATOM 0 H LEU A 87 37.734 5.646 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 87 37.200 6.561 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.473 7.374 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.242 7.606 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 87 36.613 9.619 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 87 37.462 9.681 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.884 8.863 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.375 7.905 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 87 39.054 9.516 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 87 38.966 7.740 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.611 8.581 -8.969 1.00 0.00 H new ATOM 1325 N MET A 88 35.174 5.199 -5.813 1.00 0.00 N ATOM 1326 CA MET A 88 34.098 4.289 -5.481 1.00 0.00 C ATOM 1327 C MET A 88 32.980 5.044 -4.774 1.00 0.00 C ATOM 1328 O MET A 88 33.181 5.585 -3.690 1.00 0.00 O ATOM 1329 CB MET A 88 34.634 3.167 -4.596 1.00 0.00 C ATOM 1330 CG MET A 88 35.986 2.703 -5.129 1.00 0.00 C ATOM 1331 SD MET A 88 36.082 0.922 -5.438 1.00 0.00 S ATOM 1332 CE MET A 88 35.627 0.317 -3.795 1.00 0.00 C ATOM 0 H MET A 88 35.491 5.777 -5.035 1.00 0.00 H new ATOM 0 HA MET A 88 33.694 3.853 -6.395 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.736 3.517 -3.569 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.931 2.334 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 88 36.202 3.235 -6.056 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.761 2.980 -4.415 1.00 0.00 H new ATOM 0 HE1 MET A 88 36.072 -0.665 -3.633 1.00 0.00 H new ATOM 0 HE2 MET A 88 35.993 1.010 -3.038 1.00 0.00 H new ATOM 0 HE3 MET A 88 34.542 0.240 -3.723 1.00 0.00 H new ATOM 1342 N PHE A 89 31.798 5.077 -5.394 1.00 0.00 N ATOM 1343 CA PHE A 89 30.656 5.763 -4.823 1.00 0.00 C ATOM 1344 C PHE A 89 29.557 4.760 -4.507 1.00 0.00 C ATOM 1345 O PHE A 89 29.204 3.934 -5.346 1.00 0.00 O ATOM 1346 CB PHE A 89 30.158 6.822 -5.803 1.00 0.00 C ATOM 1347 CG PHE A 89 31.036 8.048 -5.863 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.358 7.942 -6.315 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.531 9.292 -5.465 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.173 9.080 -6.367 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.346 10.429 -5.518 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.667 10.322 -5.970 1.00 0.00 C ATOM 0 H PHE A 89 31.615 4.633 -6.294 1.00 0.00 H new ATOM 0 HA PHE A 89 30.948 6.255 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 89 30.093 6.382 -6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.149 7.121 -5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.748 6.983 -6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.512 9.374 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.193 8.998 -6.714 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.956 11.388 -5.210 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.296 11.199 -6.012 1.00 0.00 H new ATOM 1362 N MET A 90 29.013 4.833 -3.289 1.00 0.00 N ATOM 1363 CA MET A 90 27.958 3.932 -2.869 1.00 0.00 C ATOM 1364 C MET A 90 26.807 4.725 -2.269 1.00 0.00 C ATOM 1365 O MET A 90 27.027 5.713 -1.571 1.00 0.00 O ATOM 1366 CB MET A 90 28.516 2.937 -1.855 1.00 0.00 C ATOM 1367 CG MET A 90 28.768 3.649 -0.529 1.00 0.00 C ATOM 1368 SD MET A 90 29.721 5.179 -0.686 1.00 0.00 S ATOM 1369 CE MET A 90 31.116 4.553 -1.655 1.00 0.00 C ATOM 0 H MET A 90 29.293 5.512 -2.581 1.00 0.00 H new ATOM 0 HA MET A 90 27.581 3.382 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.814 2.116 -1.711 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.443 2.502 -2.228 1.00 0.00 H new ATOM 0 HG2 MET A 90 27.810 3.876 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.296 2.971 0.141 1.00 0.00 H new ATOM 0 HE1 MET A 90 32.050 4.797 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 90 31.031 3.471 -1.758 1.00 0.00 H new ATOM 0 HE3 MET A 90 31.108 5.013 -2.643 1.00 0.00 H new ATOM 1379 N CYS A 91 25.576 4.290 -2.542 1.00 0.00 N ATOM 1380 CA CYS A 91 24.397 4.957 -2.030 1.00 0.00 C ATOM 1381 C CYS A 91 23.339 3.925 -1.665 1.00 0.00 C ATOM 1382 O CYS A 91 23.326 2.826 -2.214 1.00 0.00 O ATOM 1383 CB CYS A 91 23.865 5.928 -3.081 1.00 0.00 C ATOM 1384 SG CYS A 91 22.556 5.238 -4.124 1.00 0.00 S ATOM 0 H CYS A 91 25.378 3.473 -3.119 1.00 0.00 H new ATOM 0 HA CYS A 91 24.654 5.519 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.485 6.818 -2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.691 6.248 -3.716 1.00 0.00 H new ATOM 1389 N SER A 92 22.450 4.282 -0.734 1.00 0.00 N ATOM 1390 CA SER A 92 21.395 3.388 -0.303 1.00 0.00 C ATOM 1391 C SER A 92 20.058 4.115 -0.330 1.00 0.00 C ATOM 1392 O SER A 92 20.016 5.340 -0.410 1.00 0.00 O ATOM 1393 CB SER A 92 21.704 2.877 1.101 1.00 0.00 C ATOM 1394 OG SER A 92 22.546 3.796 1.760 1.00 0.00 O ATOM 0 H SER A 92 22.448 5.190 -0.268 1.00 0.00 H new ATOM 0 HA SER A 92 21.336 2.536 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.780 2.746 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.185 1.901 1.047 1.00 0.00 H new ATOM 0 HG SER A 92 22.011 4.543 2.102 1.00 0.00 H new ATOM 1400 N CYS A 93 18.962 3.354 -0.263 1.00 0.00 N ATOM 1401 CA CYS A 93 17.631 3.925 -0.279 1.00 0.00 C ATOM 1402 C CYS A 93 16.594 2.812 -0.251 1.00 0.00 C ATOM 1403 O CYS A 93 16.728 1.816 -0.957 1.00 0.00 O ATOM 1404 CB CYS A 93 17.464 4.790 -1.525 1.00 0.00 C ATOM 1405 SG CYS A 93 17.835 3.928 -3.073 1.00 0.00 S ATOM 0 H CYS A 93 18.981 2.336 -0.197 1.00 0.00 H new ATOM 0 HA CYS A 93 17.488 4.551 0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.439 5.160 -1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.115 5.661 -1.441 1.00 0.00 H new ATOM 1410 N THR A 94 15.554 2.984 0.569 1.00 0.00 N ATOM 1411 CA THR A 94 14.501 1.995 0.681 1.00 0.00 C ATOM 1412 C THR A 94 13.518 2.150 -0.470 1.00 0.00 C ATOM 1413 O THR A 94 12.547 1.403 -0.569 1.00 0.00 O ATOM 1414 CB THR A 94 13.792 2.157 2.022 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.782 3.133 1.905 1.00 0.00 O ATOM 1416 CG2 THR A 94 14.801 2.594 3.081 1.00 0.00 C ATOM 0 H THR A 94 15.427 3.804 1.163 1.00 0.00 H new ATOM 0 HA THR A 94 14.932 0.995 0.630 1.00 0.00 H new ATOM 0 HB THR A 94 13.346 1.206 2.314 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.325 3.236 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.295 2.710 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.583 1.840 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.247 3.545 2.789 1.00 0.00 H new ATOM 1424 N GLY A 95 13.773 3.126 -1.345 1.00 0.00 N ATOM 1425 CA GLY A 95 12.910 3.373 -2.483 1.00 0.00 C ATOM 1426 C GLY A 95 13.028 2.238 -3.490 1.00 0.00 C ATOM 1427 O GLY A 95 13.895 1.376 -3.362 1.00 0.00 O ATOM 0 H GLY A 95 14.574 3.754 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.876 3.468 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.181 4.317 -2.955 1.00 0.00 H new ATOM 1431 N GLU A 96 12.151 2.241 -4.497 1.00 0.00 N ATOM 1432 CA GLU A 96 12.162 1.215 -5.519 1.00 0.00 C ATOM 1433 C GLU A 96 13.290 1.478 -6.507 1.00 0.00 C ATOM 1434 O GLU A 96 13.316 2.516 -7.165 1.00 0.00 O ATOM 1435 CB GLU A 96 10.813 1.194 -6.233 1.00 0.00 C ATOM 1436 CG GLU A 96 10.489 -0.231 -6.670 1.00 0.00 C ATOM 1437 CD GLU A 96 9.056 -0.597 -6.311 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.843 -0.973 -5.138 1.00 0.00 O ATOM 1439 OE2 GLU A 96 8.201 -0.496 -7.217 1.00 0.00 O ATOM 0 H GLU A 96 11.426 2.948 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 96 12.331 0.242 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.033 1.568 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.838 1.854 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.635 -0.328 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.177 -0.928 -6.191 1.00 0.00 H new ATOM 1446 N GLU A 97 14.226 0.531 -6.611 1.00 0.00 N ATOM 1447 CA GLU A 97 15.348 0.664 -7.517 1.00 0.00 C ATOM 1448 C GLU A 97 15.959 2.052 -7.387 1.00 0.00 C ATOM 1449 O GLU A 97 16.736 2.475 -8.240 1.00 0.00 O ATOM 1450 CB GLU A 97 14.878 0.412 -8.947 1.00 0.00 C ATOM 1451 CG GLU A 97 14.680 -1.086 -9.161 1.00 0.00 C ATOM 1452 CD GLU A 97 13.982 -1.358 -10.486 1.00 0.00 C ATOM 1453 OE1 GLU A 97 14.383 -0.714 -11.480 1.00 0.00 O ATOM 1454 OE2 GLU A 97 13.063 -2.205 -10.480 1.00 0.00 O ATOM 0 H GLU A 97 14.220 -0.336 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 97 16.112 -0.071 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.945 0.943 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.611 0.798 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.646 -1.591 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.090 -1.499 -8.343 1.00 0.00 H new ATOM 1461 N CYS A 98 15.604 2.762 -6.314 1.00 0.00 N ATOM 1462 CA CYS A 98 16.116 4.096 -6.074 1.00 0.00 C ATOM 1463 C CYS A 98 17.638 4.068 -6.063 1.00 0.00 C ATOM 1464 O CYS A 98 18.281 5.039 -6.454 1.00 0.00 O ATOM 1465 CB CYS A 98 15.574 4.617 -4.747 1.00 0.00 C ATOM 1466 SG CYS A 98 15.777 3.465 -3.365 1.00 0.00 S ATOM 0 H CYS A 98 14.960 2.425 -5.599 1.00 0.00 H new ATOM 0 HA CYS A 98 15.790 4.765 -6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.077 5.553 -4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.515 4.845 -4.864 1.00 0.00 H new ATOM 1471 N ASN A 99 18.213 2.951 -5.611 1.00 0.00 N ATOM 1472 CA ASN A 99 19.653 2.804 -5.553 1.00 0.00 C ATOM 1473 C ASN A 99 20.222 2.692 -6.960 1.00 0.00 C ATOM 1474 O ASN A 99 21.343 3.125 -7.217 1.00 0.00 O ATOM 1475 CB ASN A 99 20.004 1.568 -4.728 1.00 0.00 C ATOM 1476 CG ASN A 99 19.268 0.342 -5.248 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.186 0.462 -5.820 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.857 -0.839 -5.049 1.00 0.00 N ATOM 0 H ASN A 99 17.694 2.138 -5.281 1.00 0.00 H new ATOM 0 HA ASN A 99 20.091 3.681 -5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.079 1.394 -4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.744 1.737 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.409 -1.694 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.756 -0.886 -4.569 1.00 0.00 H new ATOM 1485 N ASP A 100 19.442 2.109 -7.873 1.00 0.00 N ATOM 1486 CA ASP A 100 19.869 1.942 -9.248 1.00 0.00 C ATOM 1487 C ASP A 100 20.323 3.281 -9.812 1.00 0.00 C ATOM 1488 O ASP A 100 21.237 3.333 -10.632 1.00 0.00 O ATOM 1489 CB ASP A 100 18.717 1.371 -10.071 1.00 0.00 C ATOM 1490 CG ASP A 100 18.133 2.428 -10.997 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.846 2.801 -11.953 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.986 2.844 -10.729 1.00 0.00 O ATOM 0 H ASP A 100 18.509 1.746 -7.676 1.00 0.00 H new ATOM 0 HA ASP A 100 20.708 1.248 -9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.070 0.523 -10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.940 0.996 -9.405 1.00 0.00 H new ATOM 1497 N VAL A 101 19.681 4.366 -9.371 1.00 0.00 N ATOM 1498 CA VAL A 101 20.021 5.696 -9.833 1.00 0.00 C ATOM 1499 C VAL A 101 21.071 6.307 -8.917 1.00 0.00 C ATOM 1500 O VAL A 101 20.753 6.758 -7.819 1.00 0.00 O ATOM 1501 CB VAL A 101 18.764 6.559 -9.866 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.846 7.536 -11.035 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.538 5.666 -10.035 1.00 0.00 C ATOM 0 H VAL A 101 18.921 4.339 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 101 20.434 5.641 -10.840 1.00 0.00 H new ATOM 0 HB VAL A 101 18.683 7.116 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.947 8.152 -11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.721 8.175 -10.915 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.928 6.980 -11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.639 6.282 -10.059 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.620 5.108 -10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.478 4.969 -9.199 1.00 0.00 H new ATOM 1513 N LEU A 102 22.327 6.321 -9.370 1.00 0.00 N ATOM 1514 CA LEU A 102 23.416 6.875 -8.591 1.00 0.00 C ATOM 1515 C LEU A 102 23.598 8.347 -8.932 1.00 0.00 C ATOM 1516 O LEU A 102 24.045 8.683 -10.026 1.00 0.00 O ATOM 1517 CB LEU A 102 24.695 6.092 -8.876 1.00 0.00 C ATOM 1518 CG LEU A 102 24.569 5.386 -10.224 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.960 5.061 -10.760 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.776 4.094 -10.049 1.00 0.00 C ATOM 0 H LEU A 102 22.607 5.951 -10.278 1.00 0.00 H new ATOM 0 HA LEU A 102 23.185 6.794 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.552 6.765 -8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.871 5.362 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 102 24.052 6.037 -10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.871 4.557 -11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.527 5.984 -10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.478 4.410 -10.056 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.686 3.589 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.293 3.442 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.782 4.326 -9.666 1.00 0.00 H new ATOM 1532 N ILE A 103 23.249 9.226 -7.989 1.00 0.00 N ATOM 1533 CA ILE A 103 23.376 10.656 -8.190 1.00 0.00 C ATOM 1534 C ILE A 103 24.754 11.119 -7.738 1.00 0.00 C ATOM 1535 O ILE A 103 25.112 10.964 -6.572 1.00 0.00 O ATOM 1536 CB ILE A 103 22.279 11.377 -7.412 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.022 11.470 -8.272 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.753 12.782 -7.050 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.793 11.207 -7.406 1.00 0.00 C ATOM 0 H ILE A 103 22.875 8.962 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 103 23.266 10.891 -9.249 1.00 0.00 H new ATOM 0 HB ILE A 103 22.055 10.822 -6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.953 12.457 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.070 10.745 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 103 21.970 13.298 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.651 12.716 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.977 13.337 -7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.895 11.273 -8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.862 10.210 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.744 11.949 -6.609 1.00 0.00 H new ATOM 1551 N PHE A 104 25.527 11.691 -8.663 1.00 0.00 N ATOM 1552 CA PHE A 104 26.858 12.173 -8.354 1.00 0.00 C ATOM 1553 C PHE A 104 26.858 13.693 -8.301 1.00 0.00 C ATOM 1554 O PHE A 104 26.633 14.353 -9.314 1.00 0.00 O ATOM 1555 CB PHE A 104 27.838 11.668 -9.409 1.00 0.00 C ATOM 1556 CG PHE A 104 27.820 10.168 -9.582 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.711 9.545 -10.164 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.913 9.402 -9.160 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.694 8.153 -10.326 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.897 8.011 -9.322 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.788 7.388 -9.904 1.00 0.00 C ATOM 0 H PHE A 104 25.245 11.828 -9.634 1.00 0.00 H new ATOM 0 HA PHE A 104 27.168 11.797 -7.379 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.605 12.138 -10.364 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.846 11.982 -9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.868 10.137 -10.489 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.768 9.884 -8.710 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.838 7.671 -10.776 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.740 7.420 -8.998 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.776 6.315 -10.028 1.00 0.00 H new ATOM 1571 N SER A 105 27.111 14.250 -7.114 1.00 0.00 N ATOM 1572 CA SER A 105 27.140 15.688 -6.935 1.00 0.00 C ATOM 1573 C SER A 105 28.361 16.083 -6.118 1.00 0.00 C ATOM 1574 O SER A 105 28.752 15.370 -5.197 1.00 0.00 O ATOM 1575 CB SER A 105 25.856 16.140 -6.244 1.00 0.00 C ATOM 1576 OG SER A 105 25.983 15.955 -4.853 1.00 0.00 O ATOM 0 H SER A 105 27.298 13.717 -6.265 1.00 0.00 H new ATOM 0 HA SER A 105 27.206 16.178 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.660 17.189 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.007 15.570 -6.622 1.00 0.00 H new ATOM 0 HG SER A 105 25.160 16.246 -4.408 1.00 0.00 H new ATOM 1582 N ALA A 106 28.963 17.226 -6.457 1.00 0.00 N ATOM 1583 CA ALA A 106 30.134 17.710 -5.754 1.00 0.00 C ATOM 1584 C ALA A 106 30.079 19.227 -5.647 1.00 0.00 C ATOM 1585 O ALA A 106 31.107 19.876 -5.456 1.00 0.00 O ATOM 1586 CB ALA A 106 31.391 17.265 -6.496 1.00 0.00 C ATOM 0 H ALA A 106 28.651 17.829 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 106 30.157 17.295 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.273 17.628 -5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.419 16.176 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.380 17.672 -7.507 1.00 0.00 H new ATOM 1592 N ILE A 107 28.877 19.793 -5.771 1.00 0.00 N ATOM 1593 CA ILE A 107 28.693 21.229 -5.687 1.00 0.00 C ATOM 1594 C ILE A 107 29.127 21.723 -4.315 1.00 0.00 C ATOM 1595 O ILE A 107 29.545 20.933 -3.472 1.00 0.00 O ATOM 1596 CB ILE A 107 27.227 21.568 -5.947 1.00 0.00 C ATOM 1597 CG1 ILE A 107 26.355 20.910 -4.882 1.00 0.00 C ATOM 1598 CG2 ILE A 107 26.823 21.054 -7.325 1.00 0.00 C ATOM 1599 CD1 ILE A 107 25.035 21.668 -4.766 1.00 0.00 C ATOM 1600 OXT ILE A 107 29.037 22.951 -4.101 1.00 0.00 O ATOM 0 H ILE A 107 28.017 19.269 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 107 29.306 21.725 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 107 27.092 22.649 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 107 26.167 19.869 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 107 26.872 20.910 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 107 25.777 21.296 -7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 107 27.445 21.525 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 107 26.958 19.973 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 107 24.411 21.198 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 107 25.233 22.702 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 107 24.517 21.645 -5.725 1.00 0.00 H new TER 1612 ILE A 107