USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 717 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 27 LYS NZ :NH3+ 178:sc= 0.237 (180deg=-0.373) USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 40 TYR OH : rot 110:sc= 0.848 USER MOD Set 1.4: A 59 GLN : amide:sc= -3.96! C(o=-2.9!,f=-3.6!) USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0853) USER MOD Single : A 10 SER OG : rot 4:sc= 1.13 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -160:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.141 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc=-0.00586 (180deg=-0.297) USER MOD Single : A 30 TYR OH : rot -81:sc= 1.33 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -24:sc= 0.999 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -59:sc= 1.12! USER MOD Single : A 54 SER OG : rot 180:sc= -0.0397 USER MOD Single : A 55 SER OG : rot -160:sc= -0.0916 USER MOD Single : A 58 LYS NZ :NH3+ 136:sc= 1.09 (180deg=-2.2!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 63 SER OG : rot -52:sc= 0.894 USER MOD Single : A 70 ASN : amide:sc= -0.366 K(o=-0.37,f=-1.6!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.815 K(o=-0.81,f=-2.2) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 170:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 51:sc= 0.608 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.231 -1.825 -3.120 1.00 0.00 N ATOM 15 CA ASP A 2 -10.086 -3.251 -2.692 1.00 0.00 C ATOM 16 C ASP A 2 -8.617 -3.594 -2.477 1.00 0.00 C ATOM 17 O ASP A 2 -7.732 -3.016 -3.074 1.00 0.00 O ATOM 18 CB ASP A 2 -10.662 -4.173 -3.775 1.00 0.00 C ATOM 19 CG ASP A 2 -10.762 -5.605 -3.235 1.00 0.00 C ATOM 20 OD1 ASP A 2 -10.327 -5.830 -2.118 1.00 0.00 O ATOM 21 OD2 ASP A 2 -11.272 -6.451 -3.950 1.00 0.00 O ATOM 0 HA ASP A 2 -10.627 -3.391 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.647 -3.820 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.026 -4.151 -4.660 1.00 0.00 H new ATOM 26 N LEU A 3 -8.368 -4.543 -1.618 1.00 0.00 N ATOM 27 CA LEU A 3 -6.975 -4.959 -1.329 1.00 0.00 C ATOM 28 C LEU A 3 -6.383 -5.672 -2.536 1.00 0.00 C ATOM 29 O LEU A 3 -6.951 -6.607 -3.062 1.00 0.00 O ATOM 30 CB LEU A 3 -6.959 -5.902 -0.115 1.00 0.00 C ATOM 31 CG LEU A 3 -5.535 -6.434 0.111 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.557 -5.257 0.252 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.500 -7.283 1.382 1.00 0.00 C ATOM 0 H LEU A 3 -9.083 -5.052 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.378 -4.074 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.305 -5.373 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.646 -6.732 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.241 -7.046 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.549 -5.639 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.577 -4.656 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.850 -4.640 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.489 -7.659 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.798 -6.673 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.188 -8.122 1.278 1.00 0.00 H new ATOM 45 N VAL A 4 -5.226 -5.241 -2.955 1.00 0.00 N ATOM 46 CA VAL A 4 -4.546 -5.882 -4.119 1.00 0.00 C ATOM 47 C VAL A 4 -3.049 -6.012 -3.842 1.00 0.00 C ATOM 48 O VAL A 4 -2.505 -5.391 -2.952 1.00 0.00 O ATOM 49 CB VAL A 4 -4.754 -5.039 -5.380 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.249 -4.941 -5.690 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.175 -3.630 -5.181 1.00 0.00 C ATOM 0 H VAL A 4 -4.716 -4.463 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.976 -6.872 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.239 -5.517 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.396 -4.341 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.653 -5.940 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.764 -4.472 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.330 -3.042 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.676 -3.146 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.107 -3.701 -4.973 1.00 0.00 H new ATOM 61 N LYS A 5 -2.393 -6.836 -4.608 1.00 0.00 N ATOM 62 CA LYS A 5 -0.930 -7.056 -4.424 1.00 0.00 C ATOM 63 C LYS A 5 -0.149 -5.864 -4.967 1.00 0.00 C ATOM 64 O LYS A 5 -0.620 -5.118 -5.800 1.00 0.00 O ATOM 65 CB LYS A 5 -0.510 -8.335 -5.164 1.00 0.00 C ATOM 66 CG LYS A 5 -0.864 -9.568 -4.320 1.00 0.00 C ATOM 67 CD LYS A 5 -2.384 -9.753 -4.286 1.00 0.00 C ATOM 68 CE LYS A 5 -2.721 -11.124 -3.697 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.323 -11.164 -2.261 1.00 0.00 N ATOM 0 H LYS A 5 -2.813 -7.375 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.713 -7.163 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.012 -8.388 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.562 -8.315 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.390 -10.455 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.480 -9.449 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.843 -8.966 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.793 -9.668 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.789 -11.320 -3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.202 -11.906 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.688 -12.034 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.286 -11.148 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.717 -10.337 -1.768 1.00 0.00 H new ATOM 83 N ILE A 6 1.044 -5.688 -4.474 1.00 0.00 N ATOM 84 CA ILE A 6 1.893 -4.547 -4.911 1.00 0.00 C ATOM 85 C ILE A 6 2.200 -4.672 -6.400 1.00 0.00 C ATOM 86 O ILE A 6 2.124 -3.715 -7.137 1.00 0.00 O ATOM 87 CB ILE A 6 3.211 -4.562 -4.116 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.910 -4.622 -2.610 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.011 -3.294 -4.422 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.940 -3.498 -2.220 1.00 0.00 C ATOM 0 H ILE A 6 1.473 -6.296 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 6 1.363 -3.612 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 6 3.791 -5.438 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.478 -5.590 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.836 -4.527 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.944 -3.307 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.233 -3.252 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.428 -2.418 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.734 -3.550 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.388 -2.533 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.009 -3.612 -2.775 1.00 0.00 H new ATOM 102 N ARG A 7 2.547 -5.847 -6.842 1.00 0.00 N ATOM 103 CA ARG A 7 2.869 -6.050 -8.284 1.00 0.00 C ATOM 104 C ARG A 7 1.594 -5.898 -9.119 1.00 0.00 C ATOM 105 O ARG A 7 1.648 -5.659 -10.307 1.00 0.00 O ATOM 106 CB ARG A 7 3.449 -7.458 -8.483 1.00 0.00 C ATOM 107 CG ARG A 7 4.836 -7.529 -7.840 1.00 0.00 C ATOM 108 CD ARG A 7 5.423 -8.935 -8.017 1.00 0.00 C ATOM 109 NE ARG A 7 4.650 -9.905 -7.186 1.00 0.00 N ATOM 110 CZ ARG A 7 4.862 -11.194 -7.299 1.00 0.00 C ATOM 111 NH1 ARG A 7 5.746 -11.653 -8.150 1.00 0.00 N ATOM 112 NH2 ARG A 7 4.188 -12.026 -6.556 1.00 0.00 N ATOM 0 H ARG A 7 2.622 -6.683 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 7 3.600 -5.307 -8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.790 -8.202 -8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.516 -7.689 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.496 -6.790 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.768 -7.285 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.385 -9.227 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.472 -8.942 -7.722 1.00 0.00 H new ATOM 0 HE ARG A 7 3.952 -9.563 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.277 -11.006 -8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.903 -12.658 -8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.500 -11.673 -5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.349 -13.030 -6.640 1.00 0.00 H new ATOM 126 N ASP A 8 0.452 -6.050 -8.504 1.00 0.00 N ATOM 127 CA ASP A 8 -0.834 -5.926 -9.252 1.00 0.00 C ATOM 128 C ASP A 8 -1.206 -4.448 -9.369 1.00 0.00 C ATOM 129 O ASP A 8 -2.183 -4.093 -9.996 1.00 0.00 O ATOM 130 CB ASP A 8 -1.936 -6.680 -8.495 1.00 0.00 C ATOM 131 CG ASP A 8 -3.199 -6.735 -9.359 1.00 0.00 C ATOM 132 OD1 ASP A 8 -3.088 -6.495 -10.549 1.00 0.00 O ATOM 133 OD2 ASP A 8 -4.254 -7.014 -8.813 1.00 0.00 O ATOM 0 H ASP A 8 0.353 -6.256 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.725 -6.353 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.602 -7.689 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.150 -6.181 -7.550 1.00 0.00 H new ATOM 138 N VAL A 9 -0.430 -3.587 -8.762 1.00 0.00 N ATOM 139 CA VAL A 9 -0.727 -2.127 -8.824 1.00 0.00 C ATOM 140 C VAL A 9 -0.473 -1.605 -10.233 1.00 0.00 C ATOM 141 O VAL A 9 0.571 -1.814 -10.818 1.00 0.00 O ATOM 142 CB VAL A 9 0.162 -1.372 -7.829 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.075 0.133 -7.982 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.193 -1.801 -6.403 1.00 0.00 C ATOM 0 H VAL A 9 0.400 -3.835 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.774 -1.968 -8.565 1.00 0.00 H new ATOM 0 HB VAL A 9 1.209 -1.600 -8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.555 0.674 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.173 0.439 -8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.122 0.359 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.438 -1.265 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.239 -1.570 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.031 -2.873 -6.295 1.00 0.00 H new ATOM 154 N SER A 10 -1.443 -0.922 -10.768 1.00 0.00 N ATOM 155 CA SER A 10 -1.321 -0.354 -12.136 1.00 0.00 C ATOM 156 C SER A 10 -2.401 0.714 -12.342 1.00 0.00 C ATOM 157 O SER A 10 -3.371 0.789 -11.610 1.00 0.00 O ATOM 158 CB SER A 10 -1.496 -1.464 -13.170 1.00 0.00 C ATOM 159 OG SER A 10 -0.331 -2.275 -13.185 1.00 0.00 O ATOM 0 H SER A 10 -2.332 -0.730 -10.306 1.00 0.00 H new ATOM 0 HA SER A 10 -0.336 0.097 -12.255 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.371 -2.068 -12.929 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.667 -1.034 -14.157 1.00 0.00 H new ATOM 0 HG SER A 10 0.288 -1.971 -12.489 1.00 0.00 H new ATOM 165 N LEU A 11 -2.223 1.542 -13.333 1.00 0.00 N ATOM 166 CA LEU A 11 -3.212 2.627 -13.612 1.00 0.00 C ATOM 167 C LEU A 11 -4.546 2.010 -14.015 1.00 0.00 C ATOM 168 O LEU A 11 -5.513 2.703 -14.253 1.00 0.00 O ATOM 169 CB LEU A 11 -2.684 3.504 -14.759 1.00 0.00 C ATOM 170 CG LEU A 11 -1.416 4.251 -14.305 1.00 0.00 C ATOM 171 CD1 LEU A 11 -0.585 4.644 -15.530 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.809 5.521 -13.534 1.00 0.00 C ATOM 0 H LEU A 11 -1.427 1.515 -13.970 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.353 3.235 -12.718 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.461 2.886 -15.628 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.448 4.219 -15.064 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.830 3.598 -13.658 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.312 5.173 -15.207 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.299 3.747 -16.079 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.175 5.293 -16.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.909 6.046 -13.215 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.398 6.171 -14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.399 5.248 -12.659 1.00 0.00 H new ATOM 184 N SER A 12 -4.595 0.711 -14.095 1.00 0.00 N ATOM 185 CA SER A 12 -5.856 0.018 -14.485 1.00 0.00 C ATOM 186 C SER A 12 -6.940 0.339 -13.467 1.00 0.00 C ATOM 187 O SER A 12 -8.108 0.408 -13.799 1.00 0.00 O ATOM 188 CB SER A 12 -5.621 -1.497 -14.497 1.00 0.00 C ATOM 189 OG SER A 12 -5.208 -1.925 -13.203 1.00 0.00 O ATOM 0 H SER A 12 -3.807 0.092 -13.905 1.00 0.00 H new ATOM 0 HA SER A 12 -6.164 0.353 -15.476 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.535 -2.015 -14.788 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.861 -1.752 -15.236 1.00 0.00 H new ATOM 0 HG SER A 12 -5.060 -2.894 -13.211 1.00 0.00 H new ATOM 195 N THR A 13 -6.564 0.521 -12.222 1.00 0.00 N ATOM 196 CA THR A 13 -7.571 0.821 -11.159 1.00 0.00 C ATOM 197 C THR A 13 -7.310 2.218 -10.558 1.00 0.00 C ATOM 198 O THR A 13 -6.176 2.642 -10.428 1.00 0.00 O ATOM 199 CB THR A 13 -7.477 -0.240 -10.059 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.162 -0.270 -9.530 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.828 -1.607 -10.650 1.00 0.00 C ATOM 0 H THR A 13 -5.598 0.474 -11.898 1.00 0.00 H new ATOM 0 HA THR A 13 -8.569 0.808 -11.597 1.00 0.00 H new ATOM 0 HB THR A 13 -8.175 0.003 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.012 -1.125 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.763 -2.367 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.842 -1.582 -11.049 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.129 -1.847 -11.451 1.00 0.00 H new ATOM 209 N PRO A 14 -8.356 2.923 -10.190 1.00 0.00 N ATOM 210 CA PRO A 14 -8.248 4.285 -9.592 1.00 0.00 C ATOM 211 C PRO A 14 -7.758 4.249 -8.143 1.00 0.00 C ATOM 212 O PRO A 14 -6.729 4.805 -7.811 1.00 0.00 O ATOM 213 CB PRO A 14 -9.690 4.819 -9.648 1.00 0.00 C ATOM 214 CG PRO A 14 -10.559 3.600 -9.627 1.00 0.00 C ATOM 215 CD PRO A 14 -9.763 2.496 -10.313 1.00 0.00 C ATOM 0 HA PRO A 14 -7.526 4.903 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.903 5.469 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.858 5.407 -10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.811 3.320 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.499 3.783 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.928 1.531 -9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.055 2.387 -11.358 1.00 0.00 H new ATOM 223 N TYR A 15 -8.509 3.613 -7.274 1.00 0.00 N ATOM 224 CA TYR A 15 -8.123 3.550 -5.827 1.00 0.00 C ATOM 225 C TYR A 15 -7.932 2.098 -5.391 1.00 0.00 C ATOM 226 O TYR A 15 -8.713 1.223 -5.713 1.00 0.00 O ATOM 227 CB TYR A 15 -9.223 4.193 -4.978 1.00 0.00 C ATOM 228 CG TYR A 15 -9.363 5.654 -5.342 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.498 6.603 -4.781 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.362 6.059 -6.234 1.00 0.00 C ATOM 231 CE1 TYR A 15 -8.634 7.958 -5.117 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.498 7.413 -6.568 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.635 8.362 -6.010 1.00 0.00 C ATOM 234 OH TYR A 15 -9.770 9.696 -6.337 1.00 0.00 O ATOM 0 H TYR A 15 -9.378 3.132 -7.507 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.185 4.088 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.169 3.676 -5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -8.983 4.094 -3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.728 6.292 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.029 5.327 -6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.967 8.690 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.270 7.724 -7.257 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.511 9.805 -6.969 1.00 0.00 H new ATOM 244 N VAL A 16 -6.886 1.853 -4.646 1.00 0.00 N ATOM 245 CA VAL A 16 -6.593 0.473 -4.148 1.00 0.00 C ATOM 246 C VAL A 16 -6.080 0.535 -2.710 1.00 0.00 C ATOM 247 O VAL A 16 -5.679 1.571 -2.220 1.00 0.00 O ATOM 248 CB VAL A 16 -5.528 -0.189 -5.027 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.082 -0.405 -6.433 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.280 0.701 -5.104 1.00 0.00 C ATOM 0 H VAL A 16 -6.211 2.561 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.512 -0.111 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.257 -1.150 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.321 -0.876 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.960 -1.049 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.361 0.556 -6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.529 0.221 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.548 1.667 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.876 0.848 -4.102 1.00 0.00 H new ATOM 260 N SER A 17 -6.090 -0.589 -2.038 1.00 0.00 N ATOM 261 CA SER A 17 -5.605 -0.649 -0.623 1.00 0.00 C ATOM 262 C SER A 17 -4.420 -1.606 -0.531 1.00 0.00 C ATOM 263 O SER A 17 -4.350 -2.609 -1.221 1.00 0.00 O ATOM 264 CB SER A 17 -6.736 -1.140 0.281 1.00 0.00 C ATOM 265 OG SER A 17 -7.812 -0.214 0.221 1.00 0.00 O ATOM 0 H SER A 17 -6.417 -1.479 -2.414 1.00 0.00 H new ATOM 0 HA SER A 17 -5.291 0.344 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.071 -2.127 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.382 -1.239 1.307 1.00 0.00 H new ATOM 0 HG SER A 17 -8.542 -0.523 0.797 1.00 0.00 H new ATOM 271 N VAL A 18 -3.482 -1.291 0.324 1.00 0.00 N ATOM 272 CA VAL A 18 -2.274 -2.156 0.487 1.00 0.00 C ATOM 273 C VAL A 18 -1.910 -2.300 1.964 1.00 0.00 C ATOM 274 O VAL A 18 -2.296 -1.512 2.804 1.00 0.00 O ATOM 275 CB VAL A 18 -1.094 -1.534 -0.268 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.403 -1.513 -1.766 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.853 -0.099 0.222 1.00 0.00 C ATOM 0 H VAL A 18 -3.501 -0.465 0.922 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.496 -3.143 0.082 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.200 -2.129 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.565 -1.071 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.564 -2.532 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.301 -0.921 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.013 0.334 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.746 0.500 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.629 -0.112 1.289 1.00 0.00 H new ATOM 287 N ILE A 19 -1.151 -3.319 2.266 1.00 0.00 N ATOM 288 CA ILE A 19 -0.714 -3.579 3.669 1.00 0.00 C ATOM 289 C ILE A 19 0.754 -3.998 3.675 1.00 0.00 C ATOM 290 O ILE A 19 1.172 -4.868 2.937 1.00 0.00 O ATOM 291 CB ILE A 19 -1.572 -4.696 4.273 1.00 0.00 C ATOM 292 CG1 ILE A 19 -1.182 -4.899 5.741 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.355 -6.003 3.501 1.00 0.00 C ATOM 294 CD1 ILE A 19 -2.219 -5.792 6.429 1.00 0.00 C ATOM 0 H ILE A 19 -0.808 -3.996 1.585 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.833 -2.672 4.262 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.623 -4.415 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.194 -5.355 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.122 -3.936 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.969 -6.790 3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.637 -5.860 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.305 -6.289 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.940 -5.935 7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.199 -5.318 6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.257 -6.759 5.927 1.00 0.00 H new ATOM 306 N GLY A 20 1.537 -3.373 4.509 1.00 0.00 N ATOM 307 CA GLY A 20 2.985 -3.715 4.584 1.00 0.00 C ATOM 308 C GLY A 20 3.703 -2.778 5.548 1.00 0.00 C ATOM 309 O GLY A 20 3.113 -2.202 6.444 1.00 0.00 O ATOM 0 H GLY A 20 1.235 -2.636 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.105 -4.747 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.434 -3.642 3.594 1.00 0.00 H new ATOM 313 N LYS A 21 4.992 -2.633 5.362 1.00 0.00 N ATOM 314 CA LYS A 21 5.806 -1.746 6.251 1.00 0.00 C ATOM 315 C LYS A 21 6.556 -0.718 5.410 1.00 0.00 C ATOM 316 O LYS A 21 7.084 -1.018 4.357 1.00 0.00 O ATOM 317 CB LYS A 21 6.806 -2.596 7.048 1.00 0.00 C ATOM 318 CG LYS A 21 7.916 -3.130 6.127 1.00 0.00 C ATOM 319 CD LYS A 21 8.822 -4.080 6.911 1.00 0.00 C ATOM 320 CE LYS A 21 10.019 -4.475 6.042 1.00 0.00 C ATOM 321 NZ LYS A 21 10.877 -5.440 6.785 1.00 0.00 N ATOM 0 H LYS A 21 5.521 -3.097 4.623 1.00 0.00 H new ATOM 0 HA LYS A 21 5.144 -1.224 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.245 -1.998 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.287 -3.429 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.477 -3.650 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.500 -2.301 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.166 -3.599 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.265 -4.969 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.673 -4.922 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.596 -3.590 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.690 -5.708 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.218 -4.998 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.323 -6.289 7.018 1.00 0.00 H new ATOM 335 N ILE A 22 6.600 0.492 5.890 1.00 0.00 N ATOM 336 CA ILE A 22 7.303 1.590 5.158 1.00 0.00 C ATOM 337 C ILE A 22 8.747 1.692 5.630 1.00 0.00 C ATOM 338 O ILE A 22 9.026 1.711 6.810 1.00 0.00 O ATOM 339 CB ILE A 22 6.586 2.917 5.428 1.00 0.00 C ATOM 340 CG1 ILE A 22 5.195 2.883 4.783 1.00 0.00 C ATOM 341 CG2 ILE A 22 7.397 4.072 4.845 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.267 1.945 5.568 1.00 0.00 C ATOM 0 H ILE A 22 6.173 0.775 6.772 1.00 0.00 H new ATOM 0 HA ILE A 22 7.292 1.373 4.090 1.00 0.00 H new ATOM 0 HB ILE A 22 6.485 3.062 6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.773 3.888 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.274 2.546 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.882 5.013 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.383 4.095 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.505 3.934 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.283 1.930 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.684 0.938 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.175 2.300 6.594 1.00 0.00 H new ATOM 354 N THR A 23 9.664 1.763 4.702 1.00 0.00 N ATOM 355 CA THR A 23 11.112 1.872 5.059 1.00 0.00 C ATOM 356 C THR A 23 11.727 3.090 4.369 1.00 0.00 C ATOM 357 O THR A 23 11.403 3.428 3.248 1.00 0.00 O ATOM 358 CB THR A 23 11.850 0.608 4.607 1.00 0.00 C ATOM 359 OG1 THR A 23 11.136 -0.540 5.046 1.00 0.00 O ATOM 360 CG2 THR A 23 13.252 0.596 5.218 1.00 0.00 C ATOM 0 H THR A 23 9.471 1.750 3.701 1.00 0.00 H new ATOM 0 HA THR A 23 11.205 1.983 6.139 1.00 0.00 H new ATOM 0 HB THR A 23 11.923 0.598 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.607 -1.349 4.756 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.780 -0.302 4.899 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.801 1.477 4.886 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.175 0.604 6.305 1.00 0.00 H new ATOM 368 N GLY A 24 12.628 3.736 5.050 1.00 0.00 N ATOM 369 CA GLY A 24 13.317 4.936 4.489 1.00 0.00 C ATOM 370 C GLY A 24 12.335 6.097 4.366 1.00 0.00 C ATOM 371 O GLY A 24 11.591 6.197 3.414 1.00 0.00 O ATOM 0 H GLY A 24 12.924 3.480 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.149 5.221 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.737 4.700 3.511 1.00 0.00 H new ATOM 375 N ILE A 25 12.335 6.973 5.342 1.00 0.00 N ATOM 376 CA ILE A 25 11.408 8.147 5.323 1.00 0.00 C ATOM 377 C ILE A 25 12.108 9.367 4.739 1.00 0.00 C ATOM 378 O ILE A 25 13.162 9.776 5.181 1.00 0.00 O ATOM 379 CB ILE A 25 10.937 8.462 6.751 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.376 7.188 7.403 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.844 9.530 6.696 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.323 6.550 6.490 1.00 0.00 C ATOM 0 H ILE A 25 12.944 6.923 6.159 1.00 0.00 H new ATOM 0 HA ILE A 25 10.548 7.901 4.701 1.00 0.00 H new ATOM 0 HB ILE A 25 11.778 8.827 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.183 6.480 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.933 7.429 8.369 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.506 9.757 7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.241 10.434 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.004 9.161 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.932 5.648 6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.509 7.256 6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.779 6.292 5.534 1.00 0.00 H new ATOM 394 N HIS A 26 11.501 9.948 3.738 1.00 0.00 N ATOM 395 CA HIS A 26 12.074 11.159 3.074 1.00 0.00 C ATOM 396 C HIS A 26 11.051 12.292 3.125 1.00 0.00 C ATOM 397 O HIS A 26 9.882 12.106 2.851 1.00 0.00 O ATOM 398 CB HIS A 26 12.403 10.836 1.614 1.00 0.00 C ATOM 399 CG HIS A 26 13.455 9.762 1.557 1.00 0.00 C ATOM 400 ND1 HIS A 26 14.766 9.988 1.946 1.00 0.00 N ATOM 401 CD2 HIS A 26 13.407 8.452 1.148 1.00 0.00 C ATOM 402 CE1 HIS A 26 15.447 8.840 1.764 1.00 0.00 C ATOM 403 NE2 HIS A 26 14.666 7.873 1.280 1.00 0.00 N ATOM 0 H HIS A 26 10.616 9.629 3.344 1.00 0.00 H new ATOM 0 HA HIS A 26 12.984 11.462 3.591 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.504 10.506 1.093 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.756 11.732 1.104 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.526 7.947 0.780 1.00 0.00 H new ATOM 0 HE1 HIS A 26 16.497 8.718 1.983 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.934 6.915 1.055 1.00 0.00 H new ATOM 411 N LYS A 27 11.496 13.468 3.479 1.00 0.00 N ATOM 412 CA LYS A 27 10.577 14.648 3.569 1.00 0.00 C ATOM 413 C LYS A 27 10.855 15.615 2.424 1.00 0.00 C ATOM 414 O LYS A 27 11.982 15.960 2.134 1.00 0.00 O ATOM 415 CB LYS A 27 10.797 15.361 4.905 1.00 0.00 C ATOM 416 CG LYS A 27 9.796 16.514 5.035 1.00 0.00 C ATOM 417 CD LYS A 27 9.956 17.181 6.405 1.00 0.00 C ATOM 418 CE LYS A 27 8.957 18.335 6.538 1.00 0.00 C ATOM 419 NZ LYS A 27 7.602 17.790 6.836 1.00 0.00 N ATOM 0 H LYS A 27 12.469 13.667 3.713 1.00 0.00 H new ATOM 0 HA LYS A 27 9.545 14.304 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.670 14.660 5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.817 15.741 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.961 17.244 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.779 16.141 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.790 16.451 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.974 17.553 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.271 19.012 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.932 18.916 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.931 18.575 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.289 17.188 6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.639 17.226 7.709 1.00 0.00 H new ATOM 433 N LYS A 28 9.812 16.053 1.775 1.00 0.00 N ATOM 434 CA LYS A 28 9.956 17.006 0.636 1.00 0.00 C ATOM 435 C LYS A 28 8.836 18.041 0.686 1.00 0.00 C ATOM 436 O LYS A 28 7.798 17.833 1.285 1.00 0.00 O ATOM 437 CB LYS A 28 9.884 16.247 -0.690 1.00 0.00 C ATOM 438 CG LYS A 28 11.123 15.361 -0.835 1.00 0.00 C ATOM 439 CD LYS A 28 11.045 14.571 -2.144 1.00 0.00 C ATOM 440 CE LYS A 28 12.243 13.624 -2.240 1.00 0.00 C ATOM 441 NZ LYS A 28 13.498 14.419 -2.354 1.00 0.00 N ATOM 0 H LYS A 28 8.851 15.787 1.988 1.00 0.00 H new ATOM 0 HA LYS A 28 10.920 17.508 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.981 15.637 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.826 16.950 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.024 15.975 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.193 14.676 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.115 14.004 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.039 15.254 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.285 12.983 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.135 12.970 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.265 13.809 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.351 15.206 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.755 14.798 -1.420 1.00 0.00 H new ATOM 455 N GLU A 29 9.053 19.164 0.058 1.00 0.00 N ATOM 456 CA GLU A 29 8.032 20.258 0.041 1.00 0.00 C ATOM 457 C GLU A 29 7.626 20.568 -1.392 1.00 0.00 C ATOM 458 O GLU A 29 8.421 20.506 -2.311 1.00 0.00 O ATOM 459 CB GLU A 29 8.617 21.516 0.685 1.00 0.00 C ATOM 460 CG GLU A 29 8.791 21.278 2.185 1.00 0.00 C ATOM 461 CD GLU A 29 9.461 22.492 2.833 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.732 23.447 2.123 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.688 22.446 4.031 1.00 0.00 O ATOM 0 H GLU A 29 9.909 19.376 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 29 7.155 19.934 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.577 21.760 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.958 22.367 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.821 21.097 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.395 20.386 2.353 1.00 0.00 H new ATOM 470 N TYR A 30 6.379 20.905 -1.582 1.00 0.00 N ATOM 471 CA TYR A 30 5.881 21.230 -2.950 1.00 0.00 C ATOM 472 C TYR A 30 4.893 22.392 -2.886 1.00 0.00 C ATOM 473 O TYR A 30 4.327 22.705 -1.856 1.00 0.00 O ATOM 474 CB TYR A 30 5.196 20.002 -3.553 1.00 0.00 C ATOM 475 CG TYR A 30 3.944 19.648 -2.774 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.045 19.099 -1.488 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.680 19.859 -3.344 1.00 0.00 C ATOM 478 CE1 TYR A 30 2.884 18.766 -0.774 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.523 19.524 -2.630 1.00 0.00 C ATOM 480 CZ TYR A 30 1.625 18.979 -1.346 1.00 0.00 C ATOM 481 OH TYR A 30 0.482 18.651 -0.646 1.00 0.00 O ATOM 0 H TYR A 30 5.679 20.970 -0.843 1.00 0.00 H new ATOM 0 HA TYR A 30 6.725 21.518 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.939 20.198 -4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.884 19.157 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.017 18.932 -1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.599 20.280 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.962 18.345 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.551 19.687 -3.071 1.00 0.00 H new ATOM 0 HH TYR A 30 0.314 17.689 -0.726 1.00 0.00 H new ATOM 491 N GLU A 31 4.704 23.042 -4.001 1.00 0.00 N ATOM 492 CA GLU A 31 3.776 24.206 -4.071 1.00 0.00 C ATOM 493 C GLU A 31 2.418 23.743 -4.587 1.00 0.00 C ATOM 494 O GLU A 31 2.319 23.038 -5.572 1.00 0.00 O ATOM 495 CB GLU A 31 4.366 25.259 -5.023 1.00 0.00 C ATOM 496 CG GLU A 31 3.675 26.607 -4.797 1.00 0.00 C ATOM 497 CD GLU A 31 2.212 26.521 -5.240 1.00 0.00 C ATOM 498 OE1 GLU A 31 1.942 25.815 -6.198 1.00 0.00 O ATOM 499 OE2 GLU A 31 1.388 27.167 -4.614 1.00 0.00 O ATOM 0 H GLU A 31 5.162 22.811 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 31 3.650 24.641 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.438 25.356 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.235 24.942 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.730 26.882 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.189 27.388 -5.358 1.00 0.00 H new ATOM 506 N SER A 32 1.374 24.145 -3.920 1.00 0.00 N ATOM 507 CA SER A 32 0.003 23.747 -4.345 1.00 0.00 C ATOM 508 C SER A 32 -1.030 24.714 -3.767 1.00 0.00 C ATOM 509 O SER A 32 -0.933 25.153 -2.640 1.00 0.00 O ATOM 510 CB SER A 32 -0.301 22.336 -3.850 1.00 0.00 C ATOM 511 OG SER A 32 -1.640 22.002 -4.194 1.00 0.00 O ATOM 0 H SER A 32 1.412 24.738 -3.091 1.00 0.00 H new ATOM 0 HA SER A 32 -0.047 23.774 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.391 21.623 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.164 22.278 -2.770 1.00 0.00 H new ATOM 0 HG SER A 32 -1.842 21.096 -3.881 1.00 0.00 H new ATOM 517 N ASP A 33 -2.022 25.030 -4.549 1.00 0.00 N ATOM 518 CA ASP A 33 -3.104 25.956 -4.107 1.00 0.00 C ATOM 519 C ASP A 33 -2.495 27.280 -3.647 1.00 0.00 C ATOM 520 O ASP A 33 -3.053 27.978 -2.827 1.00 0.00 O ATOM 521 CB ASP A 33 -3.896 25.320 -2.965 1.00 0.00 C ATOM 522 CG ASP A 33 -4.751 24.170 -3.506 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.905 24.084 -4.714 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.234 23.393 -2.701 1.00 0.00 O ATOM 0 H ASP A 33 -2.132 24.677 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.778 26.146 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.214 24.950 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.533 26.067 -2.491 1.00 0.00 H new ATOM 529 N GLY A 34 -1.366 27.632 -4.195 1.00 0.00 N ATOM 530 CA GLY A 34 -0.707 28.917 -3.828 1.00 0.00 C ATOM 531 C GLY A 34 -0.103 28.793 -2.436 1.00 0.00 C ATOM 532 O GLY A 34 0.253 29.773 -1.816 1.00 0.00 O ATOM 0 H GLY A 34 -0.866 27.078 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.069 29.161 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.432 29.730 -3.851 1.00 0.00 H new ATOM 536 N THR A 35 0.015 27.591 -1.942 1.00 0.00 N ATOM 537 CA THR A 35 0.599 27.379 -0.583 1.00 0.00 C ATOM 538 C THR A 35 1.580 26.215 -0.617 1.00 0.00 C ATOM 539 O THR A 35 1.502 25.334 -1.449 1.00 0.00 O ATOM 540 CB THR A 35 -0.520 27.075 0.417 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.154 25.850 0.067 1.00 0.00 O ATOM 542 CG2 THR A 35 -1.547 28.208 0.401 1.00 0.00 C ATOM 0 H THR A 35 -0.270 26.739 -2.424 1.00 0.00 H new ATOM 0 HA THR A 35 1.125 28.283 -0.276 1.00 0.00 H new ATOM 0 HB THR A 35 -0.095 26.989 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.019 25.673 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.342 27.989 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.061 29.144 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.971 28.300 -0.599 1.00 0.00 H new ATOM 550 N THR A 36 2.511 26.219 0.295 1.00 0.00 N ATOM 551 CA THR A 36 3.532 25.134 0.354 1.00 0.00 C ATOM 552 C THR A 36 3.130 24.104 1.398 1.00 0.00 C ATOM 553 O THR A 36 2.874 24.418 2.545 1.00 0.00 O ATOM 554 CB THR A 36 4.893 25.734 0.713 1.00 0.00 C ATOM 555 OG1 THR A 36 5.254 26.691 -0.272 1.00 0.00 O ATOM 556 CG2 THR A 36 5.941 24.620 0.753 1.00 0.00 C ATOM 0 H THR A 36 2.610 26.937 1.012 1.00 0.00 H new ATOM 0 HA THR A 36 3.598 24.646 -0.618 1.00 0.00 H new ATOM 0 HB THR A 36 4.839 26.217 1.689 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.125 27.080 -0.046 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.912 25.043 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.658 23.881 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.000 24.141 -0.224 1.00 0.00 H new ATOM 564 N LYS A 37 3.074 22.867 0.989 1.00 0.00 N ATOM 565 CA LYS A 37 2.694 21.758 1.915 1.00 0.00 C ATOM 566 C LYS A 37 3.779 20.685 1.890 1.00 0.00 C ATOM 567 O LYS A 37 4.370 20.394 0.867 1.00 0.00 O ATOM 568 CB LYS A 37 1.360 21.154 1.467 1.00 0.00 C ATOM 569 CG LYS A 37 0.243 22.179 1.675 1.00 0.00 C ATOM 570 CD LYS A 37 -1.097 21.579 1.244 1.00 0.00 C ATOM 571 CE LYS A 37 -2.214 22.603 1.469 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.518 22.024 1.035 1.00 0.00 N ATOM 0 H LYS A 37 3.279 22.571 0.035 1.00 0.00 H new ATOM 0 HA LYS A 37 2.591 22.146 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.413 20.865 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.149 20.249 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.199 22.475 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.451 23.080 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.058 21.293 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.301 20.672 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.260 22.880 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.004 23.514 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.275 22.720 1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.471 21.781 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.719 21.167 1.589 1.00 0.00 H new ATOM 586 N SER A 38 4.054 20.111 3.029 1.00 0.00 N ATOM 587 CA SER A 38 5.111 19.064 3.120 1.00 0.00 C ATOM 588 C SER A 38 4.541 17.702 2.749 1.00 0.00 C ATOM 589 O SER A 38 3.397 17.392 3.015 1.00 0.00 O ATOM 590 CB SER A 38 5.658 19.016 4.548 1.00 0.00 C ATOM 591 OG SER A 38 4.648 18.544 5.433 1.00 0.00 O ATOM 0 H SER A 38 3.586 20.325 3.910 1.00 0.00 H new ATOM 0 HA SER A 38 5.914 19.311 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.529 18.362 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.989 20.008 4.855 1.00 0.00 H new ATOM 0 HG SER A 38 5.002 18.513 6.346 1.00 0.00 H new ATOM 597 N VAL A 39 5.355 16.885 2.140 1.00 0.00 N ATOM 598 CA VAL A 39 4.913 15.520 1.730 1.00 0.00 C ATOM 599 C VAL A 39 5.968 14.491 2.133 1.00 0.00 C ATOM 600 O VAL A 39 7.154 14.694 1.973 1.00 0.00 O ATOM 601 CB VAL A 39 4.699 15.491 0.213 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.047 15.514 -0.521 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.936 14.219 -0.157 1.00 0.00 C ATOM 0 H VAL A 39 6.322 17.108 1.905 1.00 0.00 H new ATOM 0 HA VAL A 39 3.976 15.274 2.229 1.00 0.00 H new ATOM 0 HB VAL A 39 4.128 16.370 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.876 15.493 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.589 16.422 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.635 14.643 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.779 14.190 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.513 13.346 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.971 14.213 0.350 1.00 0.00 H new ATOM 613 N TYR A 40 5.522 13.384 2.659 1.00 0.00 N ATOM 614 CA TYR A 40 6.460 12.307 3.094 1.00 0.00 C ATOM 615 C TYR A 40 6.481 11.195 2.057 1.00 0.00 C ATOM 616 O TYR A 40 5.458 10.717 1.612 1.00 0.00 O ATOM 617 CB TYR A 40 5.996 11.748 4.440 1.00 0.00 C ATOM 618 CG TYR A 40 6.138 12.820 5.490 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.103 13.738 5.701 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.310 12.897 6.250 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.240 14.733 6.676 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.446 13.891 7.224 1.00 0.00 C ATOM 623 CZ TYR A 40 6.411 14.809 7.438 1.00 0.00 C ATOM 624 OH TYR A 40 6.546 15.789 8.400 1.00 0.00 O ATOM 0 H TYR A 40 4.535 13.176 2.808 1.00 0.00 H new ATOM 0 HA TYR A 40 7.464 12.718 3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.959 11.420 4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.590 10.875 4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.200 13.679 5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.109 12.189 6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.442 15.442 6.840 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.350 13.951 7.812 1.00 0.00 H new ATOM 0 HH TYR A 40 6.511 15.381 9.290 1.00 0.00 H new ATOM 634 N GLN A 41 7.661 10.791 1.672 1.00 0.00 N ATOM 635 CA GLN A 41 7.813 9.711 0.653 1.00 0.00 C ATOM 636 C GLN A 41 8.708 8.606 1.197 1.00 0.00 C ATOM 637 O GLN A 41 9.531 8.815 2.068 1.00 0.00 O ATOM 638 CB GLN A 41 8.450 10.293 -0.612 1.00 0.00 C ATOM 639 CG GLN A 41 7.471 11.265 -1.273 1.00 0.00 C ATOM 640 CD GLN A 41 8.119 11.893 -2.509 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.209 11.521 -2.893 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.488 12.839 -3.150 1.00 0.00 N ATOM 0 H GLN A 41 8.540 11.169 2.025 1.00 0.00 H new ATOM 0 HA GLN A 41 6.831 9.300 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.377 10.808 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.707 9.492 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.559 10.740 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.184 12.044 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.572 13.151 -2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.911 13.266 -3.974 1.00 0.00 H new ATOM 651 N GLY A 42 8.540 7.426 0.676 1.00 0.00 N ATOM 652 CA GLY A 42 9.362 6.275 1.141 1.00 0.00 C ATOM 653 C GLY A 42 9.011 5.025 0.343 1.00 0.00 C ATOM 654 O GLY A 42 8.356 5.081 -0.681 1.00 0.00 O ATOM 0 H GLY A 42 7.865 7.206 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.421 6.504 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.188 6.099 2.203 1.00 0.00 H new ATOM 658 N TYR A 43 9.457 3.891 0.814 1.00 0.00 N ATOM 659 CA TYR A 43 9.182 2.599 0.111 1.00 0.00 C ATOM 660 C TYR A 43 8.406 1.662 1.025 1.00 0.00 C ATOM 661 O TYR A 43 8.664 1.563 2.206 1.00 0.00 O ATOM 662 CB TYR A 43 10.507 1.936 -0.271 1.00 0.00 C ATOM 663 CG TYR A 43 11.257 2.823 -1.234 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.122 3.811 -0.749 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.088 2.655 -2.614 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.819 4.633 -1.644 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.785 3.477 -3.508 1.00 0.00 C ATOM 668 CZ TYR A 43 12.649 4.465 -3.024 1.00 0.00 C ATOM 669 OH TYR A 43 13.335 5.275 -3.907 1.00 0.00 O ATOM 0 H TYR A 43 10.008 3.802 1.668 1.00 0.00 H new ATOM 0 HA TYR A 43 8.593 2.801 -0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.108 1.761 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.321 0.963 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.252 3.940 0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.421 1.892 -2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.487 5.395 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.655 3.348 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 43 13.104 5.026 -4.826 1.00 0.00 H new ATOM 679 N ILE A 44 7.462 0.960 0.462 1.00 0.00 N ATOM 680 CA ILE A 44 6.641 -0.007 1.249 1.00 0.00 C ATOM 681 C ILE A 44 6.771 -1.383 0.618 1.00 0.00 C ATOM 682 O ILE A 44 6.675 -1.534 -0.580 1.00 0.00 O ATOM 683 CB ILE A 44 5.171 0.430 1.244 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.379 -0.466 2.203 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.582 0.313 -0.170 1.00 0.00 C ATOM 686 CD1 ILE A 44 2.990 0.130 2.442 1.00 0.00 C ATOM 0 H ILE A 44 7.220 1.016 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 44 6.993 -0.037 2.280 1.00 0.00 H new ATOM 0 HB ILE A 44 5.107 1.470 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.288 -1.469 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.911 -0.561 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.538 0.627 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.144 0.951 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.645 -0.722 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.432 -0.511 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.091 1.124 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.457 0.202 1.494 1.00 0.00 H new ATOM 698 N GLU A 45 7.005 -2.385 1.423 1.00 0.00 N ATOM 699 CA GLU A 45 7.165 -3.772 0.889 1.00 0.00 C ATOM 700 C GLU A 45 6.363 -4.762 1.723 1.00 0.00 C ATOM 701 O GLU A 45 6.057 -4.539 2.886 1.00 0.00 O ATOM 702 CB GLU A 45 8.650 -4.162 0.909 1.00 0.00 C ATOM 703 CG GLU A 45 9.176 -4.189 2.352 1.00 0.00 C ATOM 704 CD GLU A 45 10.681 -4.488 2.353 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.116 -5.259 1.513 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.371 -3.946 3.203 1.00 0.00 O ATOM 0 H GLU A 45 7.093 -2.303 2.436 1.00 0.00 H new ATOM 0 HA GLU A 45 6.793 -3.798 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.782 -5.141 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.227 -3.451 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.986 -3.231 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.645 -4.947 2.928 1.00 0.00 H new ATOM 713 N ASP A 46 6.030 -5.866 1.110 1.00 0.00 N ATOM 714 CA ASP A 46 5.253 -6.927 1.804 1.00 0.00 C ATOM 715 C ASP A 46 5.263 -8.204 0.964 1.00 0.00 C ATOM 716 O ASP A 46 4.455 -8.385 0.083 1.00 0.00 O ATOM 717 CB ASP A 46 3.814 -6.457 2.023 1.00 0.00 C ATOM 718 CG ASP A 46 3.278 -5.765 0.762 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.724 -6.111 -0.321 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.423 -4.905 0.902 1.00 0.00 O ATOM 0 H ASP A 46 6.269 -6.078 0.141 1.00 0.00 H new ATOM 0 HA ASP A 46 5.710 -7.133 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.181 -7.308 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.774 -5.769 2.868 1.00 0.00 H new ATOM 725 N ASP A 47 6.173 -9.089 1.266 1.00 0.00 N ATOM 726 CA ASP A 47 6.276 -10.391 0.531 1.00 0.00 C ATOM 727 C ASP A 47 6.345 -10.153 -0.973 1.00 0.00 C ATOM 728 O ASP A 47 7.397 -10.242 -1.571 1.00 0.00 O ATOM 729 CB ASP A 47 5.049 -11.254 0.853 1.00 0.00 C ATOM 730 CG ASP A 47 5.179 -12.629 0.182 1.00 0.00 C ATOM 731 OD1 ASP A 47 6.089 -12.799 -0.615 1.00 0.00 O ATOM 732 OD2 ASP A 47 4.358 -13.484 0.472 1.00 0.00 O ATOM 0 H ASP A 47 6.865 -8.966 2.005 1.00 0.00 H new ATOM 0 HA ASP A 47 7.185 -10.902 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.953 -11.375 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.144 -10.756 0.506 1.00 0.00 H new ATOM 737 N THR A 48 5.224 -9.870 -1.577 1.00 0.00 N ATOM 738 CA THR A 48 5.175 -9.641 -3.049 1.00 0.00 C ATOM 739 C THR A 48 6.408 -8.868 -3.510 1.00 0.00 C ATOM 740 O THR A 48 7.356 -9.439 -4.004 1.00 0.00 O ATOM 741 CB THR A 48 3.922 -8.830 -3.402 1.00 0.00 C ATOM 742 OG1 THR A 48 3.933 -7.594 -2.699 1.00 0.00 O ATOM 743 CG2 THR A 48 2.669 -9.623 -3.023 1.00 0.00 C ATOM 0 H THR A 48 4.324 -9.786 -1.104 1.00 0.00 H new ATOM 0 HA THR A 48 5.149 -10.609 -3.549 1.00 0.00 H new ATOM 0 HB THR A 48 3.915 -8.634 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.957 -7.766 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.781 -9.043 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.655 -10.565 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.677 -9.826 -1.952 1.00 0.00 H new ATOM 751 N ALA A 49 6.395 -7.578 -3.345 1.00 0.00 N ATOM 752 CA ALA A 49 7.558 -6.752 -3.772 1.00 0.00 C ATOM 753 C ALA A 49 7.561 -5.421 -3.020 1.00 0.00 C ATOM 754 O ALA A 49 7.218 -5.344 -1.852 1.00 0.00 O ATOM 755 CB ALA A 49 7.460 -6.478 -5.273 1.00 0.00 C ATOM 0 H ALA A 49 5.624 -7.055 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 49 8.478 -7.292 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.310 -5.873 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.465 -7.423 -5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.535 -5.942 -5.485 1.00 0.00 H new ATOM 761 N ARG A 50 7.961 -4.370 -3.694 1.00 0.00 N ATOM 762 CA ARG A 50 8.017 -3.024 -3.052 1.00 0.00 C ATOM 763 C ARG A 50 7.603 -1.942 -4.047 1.00 0.00 C ATOM 764 O ARG A 50 7.785 -2.068 -5.240 1.00 0.00 O ATOM 765 CB ARG A 50 9.445 -2.753 -2.562 1.00 0.00 C ATOM 766 CG ARG A 50 10.405 -2.623 -3.757 1.00 0.00 C ATOM 767 CD ARG A 50 11.859 -2.672 -3.265 1.00 0.00 C ATOM 768 NE ARG A 50 12.117 -1.534 -2.333 1.00 0.00 N ATOM 769 CZ ARG A 50 12.487 -0.362 -2.790 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.656 -0.169 -4.073 1.00 0.00 N ATOM 771 NH2 ARG A 50 12.698 0.618 -1.955 1.00 0.00 N ATOM 0 H ARG A 50 8.253 -4.390 -4.671 1.00 0.00 H new ATOM 0 HA ARG A 50 7.328 -3.005 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.466 -1.838 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.773 -3.563 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.225 -3.429 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.221 -1.686 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.050 -3.619 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.541 -2.621 -4.113 1.00 0.00 H new ATOM 0 HE ARG A 50 12.004 -1.670 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.500 -0.934 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.944 0.747 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.575 0.470 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.986 1.532 -2.304 1.00 0.00 H new ATOM 785 N ILE A 51 7.043 -0.873 -3.542 1.00 0.00 N ATOM 786 CA ILE A 51 6.597 0.249 -4.421 1.00 0.00 C ATOM 787 C ILE A 51 6.769 1.586 -3.695 1.00 0.00 C ATOM 788 O ILE A 51 6.807 1.655 -2.480 1.00 0.00 O ATOM 789 CB ILE A 51 5.128 0.051 -4.801 1.00 0.00 C ATOM 790 CG1 ILE A 51 4.720 1.123 -5.815 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.243 0.164 -3.553 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.372 0.752 -6.438 1.00 0.00 C ATOM 0 H ILE A 51 6.874 -0.728 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 51 7.206 0.257 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 51 5.000 -0.939 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.651 2.094 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.479 1.211 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.199 0.022 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.532 -0.600 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.368 1.151 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.082 1.516 -7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.457 -0.210 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.616 0.686 -5.656 1.00 0.00 H new ATOM 804 N ARG A 52 6.886 2.644 -4.450 1.00 0.00 N ATOM 805 CA ARG A 52 7.070 3.999 -3.855 1.00 0.00 C ATOM 806 C ARG A 52 5.742 4.515 -3.315 1.00 0.00 C ATOM 807 O ARG A 52 4.686 4.232 -3.841 1.00 0.00 O ATOM 808 CB ARG A 52 7.601 4.970 -4.922 1.00 0.00 C ATOM 809 CG ARG A 52 9.009 4.548 -5.352 1.00 0.00 C ATOM 810 CD ARG A 52 9.511 5.459 -6.483 1.00 0.00 C ATOM 811 NE ARG A 52 9.674 6.853 -5.972 1.00 0.00 N ATOM 812 CZ ARG A 52 10.009 7.826 -6.784 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.204 7.599 -8.060 1.00 0.00 N ATOM 814 NH2 ARG A 52 10.152 9.035 -6.317 1.00 0.00 N ATOM 0 H ARG A 52 6.862 2.627 -5.470 1.00 0.00 H new ATOM 0 HA ARG A 52 7.788 3.931 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.934 4.977 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.621 5.985 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.689 4.602 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.000 3.511 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.462 5.089 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.805 5.446 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 52 9.523 7.050 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.095 6.656 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.464 8.366 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.003 9.219 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.413 9.796 -6.944 1.00 0.00 H new ATOM 828 N ILE A 53 5.801 5.277 -2.257 1.00 0.00 N ATOM 829 CA ILE A 53 4.559 5.835 -1.645 1.00 0.00 C ATOM 830 C ILE A 53 4.751 7.311 -1.312 1.00 0.00 C ATOM 831 O ILE A 53 5.853 7.774 -1.068 1.00 0.00 O ATOM 832 CB ILE A 53 4.234 5.064 -0.360 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.411 5.157 0.630 1.00 0.00 C ATOM 834 CG2 ILE A 53 3.976 3.596 -0.702 1.00 0.00 C ATOM 835 CD1 ILE A 53 4.979 4.613 1.992 1.00 0.00 C ATOM 0 H ILE A 53 6.666 5.540 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 53 3.739 5.735 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 53 3.347 5.500 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.262 4.589 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.737 6.193 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.745 3.045 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.135 3.525 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.864 3.169 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.812 4.679 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.141 5.200 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.675 3.572 1.888 1.00 0.00 H new ATOM 847 N SER A 54 3.670 8.041 -1.267 1.00 0.00 N ATOM 848 CA SER A 54 3.737 9.491 -0.922 1.00 0.00 C ATOM 849 C SER A 54 2.521 9.873 -0.083 1.00 0.00 C ATOM 850 O SER A 54 1.397 9.525 -0.387 1.00 0.00 O ATOM 851 CB SER A 54 3.770 10.323 -2.204 1.00 0.00 C ATOM 852 OG SER A 54 3.901 11.699 -1.866 1.00 0.00 O ATOM 0 H SER A 54 2.731 7.690 -1.457 1.00 0.00 H new ATOM 0 HA SER A 54 4.643 9.687 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.603 10.010 -2.833 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.858 10.163 -2.779 1.00 0.00 H new ATOM 0 HG SER A 54 3.924 12.236 -2.685 1.00 0.00 H new ATOM 858 N SER A 55 2.754 10.587 0.984 1.00 0.00 N ATOM 859 CA SER A 55 1.644 11.014 1.890 1.00 0.00 C ATOM 860 C SER A 55 1.757 12.507 2.181 1.00 0.00 C ATOM 861 O SER A 55 2.820 13.032 2.447 1.00 0.00 O ATOM 862 CB SER A 55 1.732 10.224 3.198 1.00 0.00 C ATOM 863 OG SER A 55 2.511 10.952 4.144 1.00 0.00 O ATOM 0 H SER A 55 3.681 10.899 1.273 1.00 0.00 H new ATOM 0 HA SER A 55 0.686 10.820 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.733 10.046 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.182 9.248 3.016 1.00 0.00 H new ATOM 0 HG SER A 55 2.834 10.342 4.840 1.00 0.00 H new ATOM 869 N PHE A 56 0.647 13.186 2.113 1.00 0.00 N ATOM 870 CA PHE A 56 0.629 14.659 2.360 1.00 0.00 C ATOM 871 C PHE A 56 0.276 14.967 3.816 1.00 0.00 C ATOM 872 O PHE A 56 -0.778 14.611 4.307 1.00 0.00 O ATOM 873 CB PHE A 56 -0.409 15.305 1.435 1.00 0.00 C ATOM 874 CG PHE A 56 -0.045 15.021 -0.003 1.00 0.00 C ATOM 875 CD1 PHE A 56 0.967 15.761 -0.628 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.716 14.017 -0.712 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.306 15.496 -1.961 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.375 13.753 -2.044 1.00 0.00 C ATOM 879 CZ PHE A 56 0.635 14.493 -2.668 1.00 0.00 C ATOM 0 H PHE A 56 -0.262 12.779 1.894 1.00 0.00 H new ATOM 0 HA PHE A 56 1.621 15.062 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.402 14.913 1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.446 16.381 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.486 16.535 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.497 13.446 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.086 16.067 -2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.892 12.978 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.897 14.290 -3.696 1.00 0.00 H new ATOM 889 N GLY A 57 1.152 15.668 4.483 1.00 0.00 N ATOM 890 CA GLY A 57 0.912 16.076 5.900 1.00 0.00 C ATOM 891 C GLY A 57 1.009 14.875 6.841 1.00 0.00 C ATOM 892 O GLY A 57 1.351 15.015 7.998 1.00 0.00 O ATOM 0 H GLY A 57 2.043 15.982 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.641 16.832 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.074 16.533 5.988 1.00 0.00 H new ATOM 896 N LYS A 58 0.689 13.707 6.361 1.00 0.00 N ATOM 897 CA LYS A 58 0.731 12.493 7.228 1.00 0.00 C ATOM 898 C LYS A 58 2.171 12.065 7.482 1.00 0.00 C ATOM 899 O LYS A 58 3.004 12.061 6.599 1.00 0.00 O ATOM 900 CB LYS A 58 -0.034 11.359 6.543 1.00 0.00 C ATOM 901 CG LYS A 58 -1.526 11.702 6.497 1.00 0.00 C ATOM 902 CD LYS A 58 -2.294 10.577 5.793 1.00 0.00 C ATOM 903 CE LYS A 58 -3.788 10.914 5.760 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.531 9.824 5.063 1.00 0.00 N ATOM 0 H LYS A 58 0.398 13.538 5.398 1.00 0.00 H new ATOM 0 HA LYS A 58 0.267 12.725 8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.346 11.208 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.119 10.425 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.909 11.839 7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.676 12.644 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.918 10.447 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.136 9.633 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.167 11.035 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.946 11.862 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.395 9.597 5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.788 10.136 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.929 8.978 5.002 1.00 0.00 H new ATOM 918 N GLN A 59 2.456 11.718 8.707 1.00 0.00 N ATOM 919 CA GLN A 59 3.834 11.297 9.084 1.00 0.00 C ATOM 920 C GLN A 59 3.964 9.778 9.023 1.00 0.00 C ATOM 921 O GLN A 59 3.035 9.045 9.297 1.00 0.00 O ATOM 922 CB GLN A 59 4.133 11.787 10.504 1.00 0.00 C ATOM 923 CG GLN A 59 5.582 11.448 10.873 1.00 0.00 C ATOM 924 CD GLN A 59 6.539 12.198 9.946 1.00 0.00 C ATOM 925 OE1 GLN A 59 6.317 13.348 9.625 1.00 0.00 O ATOM 926 NE2 GLN A 59 7.597 11.586 9.495 1.00 0.00 N ATOM 0 H GLN A 59 1.782 11.708 9.473 1.00 0.00 H new ATOM 0 HA GLN A 59 4.547 11.731 8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.973 12.863 10.569 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.448 11.320 11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.777 11.721 11.910 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.747 10.374 10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.782 10.620 9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.241 12.073 8.871 1.00 0.00 H new ATOM 935 N LEU A 60 5.133 9.314 8.667 1.00 0.00 N ATOM 936 CA LEU A 60 5.390 7.843 8.573 1.00 0.00 C ATOM 937 C LEU A 60 6.657 7.486 9.345 1.00 0.00 C ATOM 938 O LEU A 60 7.556 8.287 9.502 1.00 0.00 O ATOM 939 CB LEU A 60 5.575 7.450 7.104 1.00 0.00 C ATOM 940 CG LEU A 60 4.301 7.771 6.314 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.543 7.492 4.827 1.00 0.00 C ATOM 942 CD2 LEU A 60 3.138 6.898 6.819 1.00 0.00 C ATOM 0 H LEU A 60 5.934 9.900 8.433 1.00 0.00 H new ATOM 0 HA LEU A 60 4.542 7.307 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.422 7.988 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.802 6.387 7.029 1.00 0.00 H new ATOM 0 HG LEU A 60 4.045 8.821 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.639 7.719 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.361 8.116 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.801 6.442 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.236 7.131 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.388 5.846 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.965 7.098 7.876 1.00 0.00 H new ATOM 954 N GLN A 61 6.721 6.270 9.827 1.00 0.00 N ATOM 955 CA GLN A 61 7.914 5.799 10.604 1.00 0.00 C ATOM 956 C GLN A 61 8.514 4.555 9.943 1.00 0.00 C ATOM 957 O GLN A 61 7.820 3.660 9.492 1.00 0.00 O ATOM 958 CB GLN A 61 7.488 5.477 12.037 1.00 0.00 C ATOM 959 CG GLN A 61 7.183 6.779 12.777 1.00 0.00 C ATOM 960 CD GLN A 61 6.672 6.468 14.184 1.00 0.00 C ATOM 961 OE1 GLN A 61 6.617 5.324 14.585 1.00 0.00 O ATOM 962 NE2 GLN A 61 6.295 7.450 14.956 1.00 0.00 N ATOM 0 H GLN A 61 5.987 5.571 9.714 1.00 0.00 H new ATOM 0 HA GLN A 61 8.670 6.584 10.618 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.608 4.834 12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.279 4.930 12.550 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.081 7.394 12.834 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.437 7.354 12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.342 8.411 14.618 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.954 7.256 15.898 1.00 0.00 H new ATOM 971 N ASP A 62 9.814 4.518 9.871 1.00 0.00 N ATOM 972 CA ASP A 62 10.518 3.371 9.229 1.00 0.00 C ATOM 973 C ASP A 62 10.294 2.074 10.003 1.00 0.00 C ATOM 974 O ASP A 62 10.418 2.018 11.209 1.00 0.00 O ATOM 975 CB ASP A 62 12.023 3.673 9.163 1.00 0.00 C ATOM 976 CG ASP A 62 12.750 2.522 8.460 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.124 1.502 8.231 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.922 2.684 8.158 1.00 0.00 O ATOM 0 H ASP A 62 10.430 5.245 10.235 1.00 0.00 H new ATOM 0 HA ASP A 62 10.113 3.240 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.193 4.606 8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.421 3.807 10.169 1.00 0.00 H new ATOM 983 N SER A 63 9.999 1.027 9.278 1.00 0.00 N ATOM 984 CA SER A 63 9.787 -0.318 9.885 1.00 0.00 C ATOM 985 C SER A 63 8.394 -0.392 10.510 1.00 0.00 C ATOM 986 O SER A 63 8.057 -1.343 11.185 1.00 0.00 O ATOM 987 CB SER A 63 10.858 -0.572 10.945 1.00 0.00 C ATOM 988 OG SER A 63 10.387 -0.124 12.208 1.00 0.00 O ATOM 0 H SER A 63 9.894 1.051 8.264 1.00 0.00 H new ATOM 0 HA SER A 63 9.863 -1.083 9.112 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.097 -1.635 10.989 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.778 -0.050 10.681 1.00 0.00 H new ATOM 0 HG SER A 63 10.067 0.799 12.129 1.00 0.00 H new ATOM 994 N ASP A 64 7.587 0.611 10.279 1.00 0.00 N ATOM 995 CA ASP A 64 6.207 0.631 10.848 1.00 0.00 C ATOM 996 C ASP A 64 5.239 -0.145 9.953 1.00 0.00 C ATOM 997 O ASP A 64 5.096 0.141 8.779 1.00 0.00 O ATOM 998 CB ASP A 64 5.746 2.086 10.983 1.00 0.00 C ATOM 999 CG ASP A 64 5.368 2.670 9.614 1.00 0.00 C ATOM 1000 OD1 ASP A 64 6.013 2.322 8.642 1.00 0.00 O ATOM 1001 OD2 ASP A 64 4.437 3.459 9.567 1.00 0.00 O ATOM 0 H ASP A 64 7.828 1.425 9.714 1.00 0.00 H new ATOM 0 HA ASP A 64 6.217 0.153 11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.889 2.139 11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.540 2.683 11.431 1.00 0.00 H new ATOM 1006 N VAL A 65 4.571 -1.117 10.521 1.00 0.00 N ATOM 1007 CA VAL A 65 3.589 -1.930 9.746 1.00 0.00 C ATOM 1008 C VAL A 65 2.230 -1.237 9.779 1.00 0.00 C ATOM 1009 O VAL A 65 1.624 -1.065 10.825 1.00 0.00 O ATOM 1010 CB VAL A 65 3.472 -3.327 10.368 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.700 -4.243 9.416 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.873 -3.902 10.601 1.00 0.00 C ATOM 0 H VAL A 65 4.667 -1.384 11.501 1.00 0.00 H new ATOM 0 HA VAL A 65 3.926 -2.026 8.714 1.00 0.00 H new ATOM 0 HB VAL A 65 2.944 -3.259 11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.615 -5.237 9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.703 -3.835 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.230 -4.311 8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.790 -4.895 11.043 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.401 -3.971 9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.426 -3.249 11.276 1.00 0.00 H new ATOM 1022 N VAL A 66 1.748 -0.829 8.634 1.00 0.00 N ATOM 1023 CA VAL A 66 0.428 -0.134 8.577 1.00 0.00 C ATOM 1024 C VAL A 66 -0.350 -0.543 7.331 1.00 0.00 C ATOM 1025 O VAL A 66 0.186 -1.074 6.377 1.00 0.00 O ATOM 1026 CB VAL A 66 0.637 1.381 8.561 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.330 1.811 9.851 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.498 1.786 7.358 1.00 0.00 C ATOM 0 H VAL A 66 2.213 -0.948 7.734 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.143 -0.421 9.460 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.333 1.872 8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.480 2.891 9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.710 1.538 10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.296 1.312 9.929 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.639 2.867 7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.468 1.294 7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.000 1.486 6.436 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.628 -0.273 7.348 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.516 -0.604 6.192 1.00 0.00 C ATOM 1040 C ARG A 67 -3.129 0.683 5.656 1.00 0.00 C ATOM 1041 O ARG A 67 -3.676 1.482 6.390 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.626 -1.549 6.652 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.478 -1.951 5.447 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.519 -2.993 5.874 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.473 -2.373 6.842 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.371 -3.105 7.457 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.461 -4.392 7.230 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.187 -2.544 8.306 1.00 0.00 N ATOM 0 H ARG A 67 -2.105 0.173 8.131 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.936 -1.091 5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.195 -2.435 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.246 -1.061 7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.976 -1.074 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.843 -2.358 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.058 -3.363 5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.025 -3.850 6.331 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.426 -1.371 7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.827 -4.838 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.165 -4.948 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.124 -1.542 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.888 -3.107 8.788 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.023 0.891 4.371 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.576 2.131 3.746 1.00 0.00 C ATOM 1064 C ILE A 68 -4.841 1.790 2.971 1.00 0.00 C ATOM 1065 O ILE A 68 -4.872 0.881 2.164 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.542 2.732 2.789 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.234 2.978 3.550 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.076 4.064 2.255 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.128 3.373 2.567 1.00 0.00 C ATOM 0 H ILE A 68 -2.572 0.249 3.719 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.810 2.853 4.528 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.359 2.048 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.375 3.767 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.945 2.079 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.347 4.501 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.013 3.894 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.248 4.747 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.799 3.547 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.021 2.570 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.416 4.284 2.042 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.885 2.529 3.225 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.188 2.300 2.532 1.00 0.00 C ATOM 1083 C ASP A 69 -7.536 3.503 1.653 1.00 0.00 C ATOM 1084 O ASP A 69 -7.284 4.646 1.997 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.289 2.103 3.578 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.098 0.756 4.279 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.359 -0.062 3.757 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.693 0.568 5.327 1.00 0.00 O ATOM 0 H ASP A 69 -5.892 3.297 3.896 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.107 1.412 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.259 2.912 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.268 2.140 3.101 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.127 3.225 0.523 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.537 4.290 -0.438 1.00 0.00 C ATOM 1095 C ASN A 70 -7.310 5.054 -0.934 1.00 0.00 C ATOM 1096 O ASN A 70 -7.352 6.249 -1.139 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.523 5.243 0.238 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.188 6.122 -0.823 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.466 5.670 -1.915 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.456 7.366 -0.544 1.00 0.00 N ATOM 0 H ASN A 70 -8.349 2.277 0.218 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.025 3.828 -1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.278 4.676 0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.003 5.864 0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.900 7.961 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.222 7.745 0.374 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.222 4.360 -1.148 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.986 5.024 -1.652 1.00 0.00 C ATOM 1109 C ALA A 71 -5.169 5.388 -3.121 1.00 0.00 C ATOM 1110 O ALA A 71 -5.823 4.691 -3.867 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.791 4.078 -1.502 1.00 0.00 C ATOM 0 H ALA A 71 -6.138 3.355 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.801 5.929 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.890 4.568 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.659 3.822 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.972 3.170 -2.077 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.597 6.486 -3.536 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.737 6.927 -4.957 1.00 0.00 C ATOM 1119 C ARG A 72 -3.531 6.464 -5.775 1.00 0.00 C ATOM 1120 O ARG A 72 -2.392 6.628 -5.386 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.838 8.455 -5.004 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.088 8.903 -6.447 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.174 10.431 -6.513 1.00 0.00 C ATOM 1124 NE ARG A 72 -3.853 11.022 -6.145 1.00 0.00 N ATOM 1125 CZ ARG A 72 -3.702 12.322 -6.086 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -4.703 13.123 -6.358 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.545 12.824 -5.755 1.00 0.00 N ATOM 0 H ARG A 72 -4.035 7.102 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.638 6.486 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.648 8.797 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.919 8.903 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.284 8.547 -7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.013 8.462 -6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.458 10.747 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.947 10.792 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.064 10.410 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.610 12.736 -6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.575 14.134 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.762 12.205 -5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.423 13.836 -5.708 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.800 5.888 -6.915 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.710 5.393 -7.803 1.00 0.00 C ATOM 1143 C VAL A 73 -2.167 6.540 -8.651 1.00 0.00 C ATOM 1144 O VAL A 73 -2.908 7.289 -9.256 1.00 0.00 O ATOM 1145 CB VAL A 73 -3.257 4.291 -8.719 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -2.154 3.836 -9.677 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.715 3.102 -7.871 1.00 0.00 C ATOM 0 H VAL A 73 -4.743 5.737 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.904 4.991 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.102 4.677 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.539 3.053 -10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.825 4.682 -10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.311 3.449 -9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.104 2.319 -8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.870 2.714 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.498 3.425 -7.185 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.870 6.673 -8.691 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.237 7.765 -9.491 1.00 0.00 C ATOM 1159 C ALA A 74 1.063 7.265 -10.120 1.00 0.00 C ATOM 1160 O ALA A 74 1.698 6.350 -9.632 1.00 0.00 O ATOM 1161 CB ALA A 74 0.063 8.955 -8.581 1.00 0.00 C ATOM 0 H ALA A 74 -0.213 6.067 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.922 8.072 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.525 9.752 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.865 9.319 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.744 8.644 -7.788 1.00 0.00 H new ATOM 1167 N GLN A 75 1.452 7.868 -11.215 1.00 0.00 N ATOM 1168 CA GLN A 75 2.706 7.454 -11.924 1.00 0.00 C ATOM 1169 C GLN A 75 3.681 8.626 -11.983 1.00 0.00 C ATOM 1170 O GLN A 75 3.419 9.647 -12.586 1.00 0.00 O ATOM 1171 CB GLN A 75 2.358 7.009 -13.347 1.00 0.00 C ATOM 1172 CG GLN A 75 3.633 6.528 -14.045 1.00 0.00 C ATOM 1173 CD GLN A 75 3.288 5.970 -15.425 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.776 6.679 -16.269 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.552 4.722 -15.694 1.00 0.00 N ATOM 0 H GLN A 75 0.949 8.639 -11.655 1.00 0.00 H new ATOM 0 HA GLN A 75 3.171 6.630 -11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.618 6.209 -13.321 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.914 7.835 -13.902 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.339 7.353 -14.142 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.120 5.761 -13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.982 4.127 -14.985 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.329 4.340 -16.613 1.00 0.00 H new ATOM 1184 N PHE A 76 4.819 8.460 -11.361 1.00 0.00 N ATOM 1185 CA PHE A 76 5.868 9.529 -11.357 1.00 0.00 C ATOM 1186 C PHE A 76 7.155 9.002 -11.995 1.00 0.00 C ATOM 1187 O PHE A 76 7.643 7.940 -11.669 1.00 0.00 O ATOM 1188 CB PHE A 76 6.159 9.956 -9.913 1.00 0.00 C ATOM 1189 CG PHE A 76 5.018 10.795 -9.393 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.920 12.141 -9.763 1.00 0.00 C ATOM 1191 CD2 PHE A 76 4.061 10.230 -8.541 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.862 12.923 -9.284 1.00 0.00 C ATOM 1193 CE2 PHE A 76 3.004 11.013 -8.060 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.905 12.359 -8.432 1.00 0.00 C ATOM 0 H PHE A 76 5.072 7.616 -10.847 1.00 0.00 H new ATOM 0 HA PHE A 76 5.506 10.383 -11.929 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.293 9.077 -9.283 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.089 10.523 -9.871 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.660 12.576 -10.418 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.138 9.191 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.784 13.961 -9.572 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.266 10.579 -7.402 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.090 12.963 -8.061 1.00 0.00 H new ATOM 1204 N ASN A 77 7.701 9.767 -12.900 1.00 0.00 N ATOM 1205 CA ASN A 77 8.967 9.385 -13.595 1.00 0.00 C ATOM 1206 C ASN A 77 8.807 8.025 -14.277 1.00 0.00 C ATOM 1207 O ASN A 77 9.769 7.338 -14.542 1.00 0.00 O ATOM 1208 CB ASN A 77 10.116 9.341 -12.587 1.00 0.00 C ATOM 1209 CG ASN A 77 11.425 9.018 -13.311 1.00 0.00 C ATOM 1210 OD1 ASN A 77 11.583 9.329 -14.475 1.00 0.00 O ATOM 1211 ND2 ASN A 77 12.375 8.404 -12.664 1.00 0.00 N ATOM 0 H ASN A 77 7.314 10.663 -13.195 1.00 0.00 H new ATOM 0 HA ASN A 77 9.193 10.130 -14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.200 10.299 -12.074 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.915 8.588 -11.825 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.253 8.184 -13.135 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.241 8.144 -11.687 1.00 0.00 H new ATOM 1218 N GLY A 78 7.596 7.655 -14.589 1.00 0.00 N ATOM 1219 CA GLY A 78 7.349 6.356 -15.278 1.00 0.00 C ATOM 1220 C GLY A 78 7.313 5.241 -14.242 1.00 0.00 C ATOM 1221 O GLY A 78 7.310 4.076 -14.575 1.00 0.00 O ATOM 0 H GLY A 78 6.758 8.203 -14.394 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.406 6.393 -15.823 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.133 6.164 -16.010 1.00 0.00 H new ATOM 1225 N TYR A 79 7.281 5.600 -12.986 1.00 0.00 N ATOM 1226 CA TYR A 79 7.240 4.580 -11.892 1.00 0.00 C ATOM 1227 C TYR A 79 5.919 4.685 -11.139 1.00 0.00 C ATOM 1228 O TYR A 79 5.423 5.758 -10.859 1.00 0.00 O ATOM 1229 CB TYR A 79 8.404 4.820 -10.930 1.00 0.00 C ATOM 1230 CG TYR A 79 9.695 4.410 -11.598 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.158 3.095 -11.476 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.428 5.342 -12.342 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.351 2.712 -12.100 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.622 4.961 -12.964 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.085 3.644 -12.843 1.00 0.00 C ATOM 1236 OH TYR A 79 13.262 3.265 -13.456 1.00 0.00 O ATOM 0 H TYR A 79 7.281 6.568 -12.666 1.00 0.00 H new ATOM 0 HA TYR A 79 7.326 3.582 -12.323 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.446 5.872 -10.646 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.258 4.248 -10.014 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.595 2.376 -10.900 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.071 6.357 -12.436 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.706 1.696 -12.008 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.187 5.682 -13.537 1.00 0.00 H new ATOM 0 HH TYR A 79 13.645 4.032 -13.932 1.00 0.00 H new ATOM 1246 N LEU A 80 5.348 3.561 -10.825 1.00 0.00 N ATOM 1247 CA LEU A 80 4.048 3.539 -10.104 1.00 0.00 C ATOM 1248 C LEU A 80 4.246 3.849 -8.631 1.00 0.00 C ATOM 1249 O LEU A 80 5.190 3.416 -8.006 1.00 0.00 O ATOM 1250 CB LEU A 80 3.409 2.149 -10.259 1.00 0.00 C ATOM 1251 CG LEU A 80 2.743 2.034 -11.639 1.00 0.00 C ATOM 1252 CD1 LEU A 80 1.491 2.934 -11.698 1.00 0.00 C ATOM 1253 CD2 LEU A 80 3.738 2.466 -12.726 1.00 0.00 C ATOM 0 H LEU A 80 5.732 2.641 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 80 3.394 4.299 -10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.168 1.375 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.670 1.989 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 80 2.446 0.999 -11.806 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.026 2.846 -12.680 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.782 2.622 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.780 3.971 -11.525 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.266 2.384 -13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.039 3.499 -12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.616 1.821 -12.692 1.00 0.00 H new ATOM 1265 N SER A 81 3.328 4.589 -8.077 1.00 0.00 N ATOM 1266 CA SER A 81 3.407 4.945 -6.631 1.00 0.00 C ATOM 1267 C SER A 81 2.007 5.211 -6.081 1.00 0.00 C ATOM 1268 O SER A 81 1.074 5.483 -6.811 1.00 0.00 O ATOM 1269 CB SER A 81 4.267 6.193 -6.452 1.00 0.00 C ATOM 1270 OG SER A 81 3.474 7.351 -6.684 1.00 0.00 O ATOM 0 H SER A 81 2.518 4.967 -8.568 1.00 0.00 H new ATOM 0 HA SER A 81 3.855 4.113 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.683 6.220 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.109 6.170 -7.144 1.00 0.00 H new ATOM 0 HG SER A 81 3.974 8.149 -6.415 1.00 0.00 H new ATOM 1276 N LEU A 82 1.864 5.120 -4.783 1.00 0.00 N ATOM 1277 CA LEU A 82 0.532 5.344 -4.134 1.00 0.00 C ATOM 1278 C LEU A 82 0.533 6.664 -3.375 1.00 0.00 C ATOM 1279 O LEU A 82 1.378 6.922 -2.540 1.00 0.00 O ATOM 1280 CB LEU A 82 0.243 4.200 -3.158 1.00 0.00 C ATOM 1281 CG LEU A 82 0.347 2.858 -3.887 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.082 1.721 -2.894 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.687 2.802 -5.022 1.00 0.00 C ATOM 0 H LEU A 82 2.621 4.898 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.237 5.377 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.950 4.230 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.753 4.316 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 82 1.346 2.750 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.155 0.763 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.819 1.759 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.917 1.831 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.609 1.845 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.689 2.910 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.497 3.611 -5.727 1.00 0.00 H new ATOM 1295 N SER A 83 -0.426 7.496 -3.669 1.00 0.00 N ATOM 1296 CA SER A 83 -0.537 8.823 -2.991 1.00 0.00 C ATOM 1297 C SER A 83 -1.615 8.760 -1.913 1.00 0.00 C ATOM 1298 O SER A 83 -2.757 8.430 -2.167 1.00 0.00 O ATOM 1299 CB SER A 83 -0.900 9.891 -4.026 1.00 0.00 C ATOM 1300 OG SER A 83 0.251 10.203 -4.797 1.00 0.00 O ATOM 0 H SER A 83 -1.151 7.312 -4.362 1.00 0.00 H new ATOM 0 HA SER A 83 0.416 9.077 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.699 9.531 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.272 10.786 -3.528 1.00 0.00 H new ATOM 0 HG SER A 83 0.024 10.885 -5.463 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.240 9.078 -0.704 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.204 9.055 0.436 1.00 0.00 C ATOM 1308 C VAL A 84 -2.660 10.483 0.738 1.00 0.00 C ATOM 1309 O VAL A 84 -1.897 11.320 1.196 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.517 8.457 1.668 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.571 8.140 2.729 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.788 7.168 1.274 1.00 0.00 C ATOM 0 H VAL A 84 -0.292 9.357 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.070 8.446 0.177 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.798 9.172 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.086 7.714 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.091 9.056 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.288 7.424 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.300 6.744 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.506 6.451 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.039 7.391 0.514 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.907 10.760 0.464 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.466 12.125 0.699 1.00 0.00 C ATOM 1324 C GLY A 85 -5.159 12.202 2.058 1.00 0.00 C ATOM 1325 O GLY A 85 -5.197 11.254 2.815 1.00 0.00 O ATOM 0 H GLY A 85 -4.572 10.088 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.666 12.863 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.176 12.373 -0.090 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.707 13.348 2.353 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.411 13.562 3.649 1.00 0.00 C ATOM 1331 C ASP A 86 -7.689 12.727 3.680 1.00 0.00 C ATOM 1332 O ASP A 86 -8.261 12.488 4.723 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.779 15.047 3.781 1.00 0.00 C ATOM 1334 CG ASP A 86 -5.517 15.872 4.044 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -4.499 15.278 4.361 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -5.590 17.085 3.921 1.00 0.00 O ATOM 0 H ASP A 86 -5.696 14.162 1.738 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.760 13.264 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.267 15.393 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.490 15.184 4.595 1.00 0.00 H new ATOM 1341 N SER A 87 -8.145 12.300 2.536 1.00 0.00 N ATOM 1342 CA SER A 87 -9.397 11.491 2.464 1.00 0.00 C ATOM 1343 C SER A 87 -9.058 10.012 2.641 1.00 0.00 C ATOM 1344 O SER A 87 -9.931 9.176 2.754 1.00 0.00 O ATOM 1345 CB SER A 87 -10.051 11.709 1.095 1.00 0.00 C ATOM 1346 OG SER A 87 -9.224 11.162 0.073 1.00 0.00 O ATOM 0 H SER A 87 -7.699 12.478 1.636 1.00 0.00 H new ATOM 0 HA SER A 87 -10.083 11.798 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.033 11.237 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.204 12.774 0.920 1.00 0.00 H new ATOM 0 HG SER A 87 -9.647 11.302 -0.800 1.00 0.00 H new ATOM 1352 N SER A 88 -7.794 9.685 2.666 1.00 0.00 N ATOM 1353 CA SER A 88 -7.382 8.263 2.838 1.00 0.00 C ATOM 1354 C SER A 88 -7.375 7.910 4.319 1.00 0.00 C ATOM 1355 O SER A 88 -7.408 8.770 5.176 1.00 0.00 O ATOM 1356 CB SER A 88 -5.980 8.055 2.263 1.00 0.00 C ATOM 1357 OG SER A 88 -5.555 6.725 2.535 1.00 0.00 O ATOM 0 H SER A 88 -7.024 10.347 2.574 1.00 0.00 H new ATOM 0 HA SER A 88 -8.088 7.621 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.984 8.235 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.284 8.769 2.703 1.00 0.00 H new ATOM 0 HG SER A 88 -6.251 6.095 2.253 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.334 6.641 4.616 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.329 6.184 6.040 1.00 0.00 C ATOM 1365 C ARG A 89 -6.175 5.213 6.270 1.00 0.00 C ATOM 1366 O ARG A 89 -5.883 4.363 5.454 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.655 5.487 6.355 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.779 6.524 6.381 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.124 5.828 6.613 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.119 5.165 7.951 1.00 0.00 N ATOM 1371 CZ ARG A 89 -11.430 5.840 9.029 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -11.740 7.109 8.954 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -11.430 5.240 10.187 1.00 0.00 N ATOM 0 H ARG A 89 -7.303 5.890 3.927 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.205 7.047 6.694 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.865 4.725 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.592 4.978 7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.595 7.253 7.171 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.801 7.073 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.935 6.554 6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.303 5.090 5.831 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.871 4.178 8.026 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.741 7.581 8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.981 7.626 9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.189 4.251 10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.671 5.760 11.031 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.522 5.346 7.394 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.373 4.450 7.737 1.00 0.00 C ATOM 1389 C ILE A 90 -4.660 3.738 9.055 1.00 0.00 C ATOM 1390 O ILE A 90 -5.030 4.345 10.040 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.091 5.278 7.875 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.740 5.909 6.524 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.949 4.360 8.325 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.619 6.934 6.709 1.00 0.00 C ATOM 0 H ILE A 90 -5.738 6.048 8.102 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.243 3.714 6.943 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.240 6.068 8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.427 5.137 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.620 6.391 6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.033 4.942 8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.201 3.910 9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.800 3.574 7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.372 7.381 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.948 7.713 7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.737 6.439 7.116 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.489 2.440 9.070 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.746 1.637 10.309 1.00 0.00 C ATOM 1408 C GLU A 91 -3.444 1.004 10.799 1.00 0.00 C ATOM 1409 O GLU A 91 -2.752 0.318 10.073 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.760 0.534 10.002 1.00 0.00 C ATOM 1411 CG GLU A 91 -7.113 1.160 9.633 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.107 1.582 8.160 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -6.066 1.473 7.532 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -8.145 2.010 7.685 1.00 0.00 O ATOM 0 H GLU A 91 -4.178 1.894 8.267 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.141 2.294 11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.400 -0.086 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.875 -0.119 10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.916 0.445 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.309 2.024 10.267 1.00 0.00 H new ATOM 1421 N SER A 92 -3.117 1.251 12.038 1.00 0.00 N ATOM 1422 CA SER A 92 -1.865 0.697 12.628 1.00 0.00 C ATOM 1423 C SER A 92 -1.993 -0.806 12.840 1.00 0.00 C ATOM 1424 O SER A 92 -3.050 -1.317 13.158 1.00 0.00 O ATOM 1425 CB SER A 92 -1.595 1.378 13.971 1.00 0.00 C ATOM 1426 OG SER A 92 -2.588 0.989 14.914 1.00 0.00 O ATOM 0 H SER A 92 -3.672 1.821 12.676 1.00 0.00 H new ATOM 0 HA SER A 92 -1.039 0.885 11.942 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.605 1.104 14.336 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.601 2.461 13.848 1.00 0.00 H new ATOM 0 HG SER A 92 -2.412 1.425 15.774 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.905 -1.514 12.656 1.00 0.00 N ATOM 1433 CA VAL A 93 -0.912 -3.002 12.831 1.00 0.00 C ATOM 1434 C VAL A 93 0.067 -3.402 13.940 1.00 0.00 C ATOM 1435 O VAL A 93 1.213 -2.997 13.963 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.503 -3.664 11.507 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.258 -5.159 11.733 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -1.633 -3.483 10.491 1.00 0.00 C ATOM 0 H VAL A 93 -0.002 -1.121 12.389 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.912 -3.333 13.112 1.00 0.00 H new ATOM 0 HB VAL A 93 0.411 -3.202 11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.032 -5.626 10.792 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.539 -5.291 12.464 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.171 -5.625 12.104 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.352 -3.950 9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.542 -3.950 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.811 -2.420 10.331 1.00 0.00 H new