USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= -0.708 K(o=-1.1,f=-3.4!) USER MOD Set 1.2: A 86 THR OG1 : rot -89:sc= -0.395 USER MOD Set 2.1: A 11 SER OG : rot 153:sc= 1.21 USER MOD Set 2.2: A 21 ASN : amide:sc= -0.197! K(o=1!,f=0.47) USER MOD Set 3.1: A 8 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.697 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 13 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-3.9!) USER MOD Single : A 17 ASN : amide:sc= -4.32! C(o=-4.3!,f=-7.9!) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.347 (180deg=-1.27!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.02 X(o=-1,f=-1.5!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 153:sc= 0.378 USER MOD Single : A 31 HIS : no HD1:sc= 0.973 K(o=0.97,f=-4.8!) USER MOD Single : A 33 SER OG : rot -65:sc= 1.15 USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= -0.537 (180deg=-3.44!) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.2 F(o=-4.1!,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.744 (180deg=0.396) USER MOD Single : A 51 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.009) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 77:sc= 0.804 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -170:sc= 0.0892 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0166 K(o=-0.017,f=-0.72) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 0.233 (180deg=0.213) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -16.899 -4.796 -4.841 1.00 0.00 N ATOM 37 CA ARG A 3 -15.962 -4.321 -5.854 1.00 0.00 C ATOM 38 C ARG A 3 -14.530 -4.606 -5.412 1.00 0.00 C ATOM 39 O ARG A 3 -14.189 -4.405 -4.247 1.00 0.00 O ATOM 40 CB ARG A 3 -16.178 -2.815 -6.072 1.00 0.00 C ATOM 41 CG ARG A 3 -15.157 -2.127 -6.992 1.00 0.00 C ATOM 42 CD ARG A 3 -15.677 -0.780 -7.485 1.00 0.00 C ATOM 43 NE ARG A 3 -16.196 0.041 -6.386 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.093 1.368 -6.326 1.00 0.00 C ATOM 45 NH1 ARG A 3 -15.422 2.032 -7.261 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.640 2.028 -5.307 1.00 0.00 N ATOM 0 HA ARG A 3 -16.136 -4.843 -6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.174 -2.665 -6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.159 -2.319 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.219 -1.983 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.941 -2.770 -7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.874 -0.244 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.465 -0.942 -8.221 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.667 -0.435 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.983 1.526 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.346 3.048 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.136 1.518 -4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.563 3.044 -5.257 1.00 0.00 H new ATOM 60 N THR A 4 -13.702 -5.085 -6.335 1.00 0.00 N ATOM 61 CA THR A 4 -12.341 -5.481 -5.996 1.00 0.00 C ATOM 62 C THR A 4 -11.439 -4.253 -5.827 1.00 0.00 C ATOM 63 O THR A 4 -11.254 -3.478 -6.773 1.00 0.00 O ATOM 64 CB THR A 4 -11.731 -6.430 -7.064 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.486 -5.722 -8.287 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.654 -7.603 -7.358 1.00 0.00 C ATOM 0 H THR A 4 -13.948 -5.208 -7.317 1.00 0.00 H new ATOM 0 HA THR A 4 -12.396 -6.020 -5.050 1.00 0.00 H new ATOM 0 HB THR A 4 -10.793 -6.808 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.329 -4.775 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.196 -8.247 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.820 -8.173 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.608 -7.231 -7.732 1.00 0.00 H new ATOM 74 N PRO A 5 -10.884 -4.042 -4.616 1.00 0.00 N ATOM 75 CA PRO A 5 -9.926 -2.974 -4.369 1.00 0.00 C ATOM 76 C PRO A 5 -8.599 -3.304 -5.030 1.00 0.00 C ATOM 77 O PRO A 5 -8.051 -4.390 -4.834 1.00 0.00 O ATOM 78 CB PRO A 5 -9.773 -2.930 -2.839 1.00 0.00 C ATOM 79 CG PRO A 5 -10.780 -3.891 -2.290 1.00 0.00 C ATOM 80 CD PRO A 5 -11.134 -4.834 -3.410 1.00 0.00 C ATOM 0 HA PRO A 5 -10.253 -2.016 -4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.763 -3.212 -2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.948 -1.923 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.371 -4.436 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.665 -3.363 -1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.519 -5.734 -3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.174 -5.156 -3.350 1.00 0.00 H new ATOM 88 N LYS A 6 -8.087 -2.382 -5.818 1.00 0.00 N ATOM 89 CA LYS A 6 -6.909 -2.657 -6.613 1.00 0.00 C ATOM 90 C LYS A 6 -5.669 -2.113 -5.918 1.00 0.00 C ATOM 91 O LYS A 6 -5.733 -1.114 -5.203 1.00 0.00 O ATOM 92 CB LYS A 6 -7.066 -2.039 -8.003 1.00 0.00 C ATOM 93 CG LYS A 6 -6.010 -2.486 -9.004 1.00 0.00 C ATOM 94 CD LYS A 6 -6.172 -1.778 -10.341 1.00 0.00 C ATOM 95 CE LYS A 6 -7.542 -2.030 -10.953 1.00 0.00 C ATOM 96 NZ LYS A 6 -7.754 -3.459 -11.304 1.00 0.00 N ATOM 0 H LYS A 6 -8.465 -1.441 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.794 -3.735 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.052 -2.293 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.029 -0.953 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.017 -2.283 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.080 -3.564 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.027 -0.706 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.398 -2.119 -11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.314 -1.713 -10.251 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.655 -1.419 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.665 -3.565 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.987 -3.781 -11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.759 -4.033 -10.436 1.00 0.00 H new ATOM 110 N ILE A 7 -4.546 -2.778 -6.134 1.00 0.00 N ATOM 111 CA ILE A 7 -3.309 -2.415 -5.460 1.00 0.00 C ATOM 112 C ILE A 7 -2.493 -1.479 -6.330 1.00 0.00 C ATOM 113 O ILE A 7 -2.108 -1.821 -7.450 1.00 0.00 O ATOM 114 CB ILE A 7 -2.433 -3.648 -5.083 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.022 -4.450 -3.914 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.027 -3.199 -4.712 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.489 -4.778 -4.039 1.00 0.00 C ATOM 0 H ILE A 7 -4.465 -3.571 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.600 -1.922 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.408 -4.295 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.464 -5.381 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.868 -3.887 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.424 -4.069 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.574 -2.685 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.075 -2.521 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.811 -5.345 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.064 -3.854 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.654 -5.372 -4.938 1.00 0.00 H new ATOM 129 N GLN A 8 -2.255 -0.293 -5.811 1.00 0.00 N ATOM 130 CA GLN A 8 -1.363 0.657 -6.462 1.00 0.00 C ATOM 131 C GLN A 8 -0.347 1.130 -5.422 1.00 0.00 C ATOM 132 O GLN A 8 -0.713 1.717 -4.401 1.00 0.00 O ATOM 133 CB GLN A 8 -2.145 1.875 -7.046 1.00 0.00 C ATOM 134 CG GLN A 8 -3.649 1.680 -7.000 1.00 0.00 C ATOM 135 CD GLN A 8 -4.414 2.917 -7.428 1.00 0.00 C ATOM 136 OE1 GLN A 8 -3.800 3.729 -8.277 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -5.546 3.143 -7.005 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.665 0.041 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.864 0.170 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.882 2.773 -6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.835 2.040 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.923 0.847 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.945 1.408 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.986 2.494 -6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.046 3.979 -7.307 1.00 0.00 H new ATOM 146 N VAL A 9 0.920 0.855 -5.675 1.00 0.00 N ATOM 147 CA VAL A 9 1.974 1.200 -4.742 1.00 0.00 C ATOM 148 C VAL A 9 3.111 1.919 -5.455 1.00 0.00 C ATOM 149 O VAL A 9 3.662 1.440 -6.451 1.00 0.00 O ATOM 150 CB VAL A 9 2.487 -0.042 -3.951 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.622 -1.264 -4.846 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.810 0.256 -3.258 1.00 0.00 C ATOM 0 H VAL A 9 1.244 0.391 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 9 1.550 1.884 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 9 1.740 -0.266 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.982 -2.108 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.651 -1.509 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.330 -1.052 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.143 -0.628 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.558 0.527 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.677 1.082 -2.560 1.00 0.00 H new ATOM 162 N TYR A 10 3.440 3.083 -4.924 1.00 0.00 N ATOM 163 CA TYR A 10 4.425 3.977 -5.522 1.00 0.00 C ATOM 164 C TYR A 10 5.247 4.598 -4.405 1.00 0.00 C ATOM 165 O TYR A 10 4.877 4.507 -3.234 1.00 0.00 O ATOM 166 CB TYR A 10 3.764 5.131 -6.311 1.00 0.00 C ATOM 167 CG TYR A 10 2.584 4.761 -7.192 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.278 5.035 -6.789 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.772 4.196 -8.446 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.206 4.754 -7.604 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.696 3.901 -9.265 1.00 0.00 C ATOM 172 CZ TYR A 10 0.415 4.185 -8.838 1.00 0.00 C ATOM 173 OH TYR A 10 -0.664 3.918 -9.653 1.00 0.00 O ATOM 0 H TYR A 10 3.031 3.440 -4.061 1.00 0.00 H new ATOM 0 HA TYR A 10 5.034 3.390 -6.210 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.434 5.886 -5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.525 5.596 -6.938 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.104 5.476 -5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.774 3.983 -8.788 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.798 4.980 -7.275 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.858 3.451 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.350 3.518 -10.491 1.00 0.00 H new ATOM 183 N SER A 11 6.357 5.220 -4.752 1.00 0.00 N ATOM 184 CA SER A 11 7.100 6.009 -3.790 1.00 0.00 C ATOM 185 C SER A 11 6.619 7.455 -3.837 1.00 0.00 C ATOM 186 O SER A 11 6.260 7.966 -4.901 1.00 0.00 O ATOM 187 CB SER A 11 8.595 5.940 -4.082 1.00 0.00 C ATOM 188 OG SER A 11 9.338 6.617 -3.082 1.00 0.00 O ATOM 0 H SER A 11 6.762 5.195 -5.688 1.00 0.00 H new ATOM 0 HA SER A 11 6.929 5.605 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.912 4.898 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.800 6.384 -5.056 1.00 0.00 H new ATOM 0 HG SER A 11 10.237 6.231 -3.025 1.00 0.00 H new ATOM 194 N ARG A 12 6.571 8.095 -2.676 1.00 0.00 N ATOM 195 CA ARG A 12 6.128 9.490 -2.584 1.00 0.00 C ATOM 196 C ARG A 12 7.042 10.405 -3.409 1.00 0.00 C ATOM 197 O ARG A 12 6.574 11.248 -4.175 1.00 0.00 O ATOM 198 CB ARG A 12 6.130 9.914 -1.102 1.00 0.00 C ATOM 199 CG ARG A 12 5.334 11.173 -0.744 1.00 0.00 C ATOM 200 CD ARG A 12 6.003 12.437 -1.250 1.00 0.00 C ATOM 201 NE ARG A 12 7.323 12.646 -0.650 1.00 0.00 N ATOM 202 CZ ARG A 12 7.532 13.000 0.622 1.00 0.00 C ATOM 203 NH1 ARG A 12 6.517 13.104 1.473 1.00 0.00 N ATOM 204 NH2 ARG A 12 8.767 13.244 1.039 1.00 0.00 N ATOM 0 H ARG A 12 6.832 7.676 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 12 5.120 9.579 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.740 9.086 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.164 10.066 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.332 11.100 -1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.219 11.233 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.104 12.383 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.367 13.295 -1.031 1.00 0.00 H new ATOM 0 HE ARG A 12 8.141 12.512 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.566 12.913 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.689 13.375 2.441 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.550 13.161 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.934 13.515 2.008 1.00 0.00 H new ATOM 218 N HIS A 13 8.342 10.223 -3.242 1.00 0.00 N ATOM 219 CA HIS A 13 9.339 11.019 -3.956 1.00 0.00 C ATOM 220 C HIS A 13 10.279 10.101 -4.751 1.00 0.00 C ATOM 221 O HIS A 13 10.050 8.891 -4.777 1.00 0.00 O ATOM 222 CB HIS A 13 10.126 11.882 -2.964 1.00 0.00 C ATOM 223 CG HIS A 13 9.537 13.242 -2.753 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.922 14.022 -1.692 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.603 13.910 -3.479 1.00 0.00 C ATOM 226 CE1 HIS A 13 9.226 15.140 -1.794 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.416 15.116 -2.858 1.00 0.00 N ATOM 0 H HIS A 13 8.739 9.525 -2.613 1.00 0.00 H new ATOM 0 HA HIS A 13 8.833 11.679 -4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.177 11.365 -2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.150 11.990 -3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.106 13.559 -4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.301 15.969 -1.105 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.779 15.857 -3.152 1.00 0.00 H new ATOM 235 N PRO A 14 11.328 10.630 -5.441 1.00 0.00 N ATOM 236 CA PRO A 14 12.312 9.780 -6.124 1.00 0.00 C ATOM 237 C PRO A 14 12.879 8.706 -5.195 1.00 0.00 C ATOM 238 O PRO A 14 13.139 8.959 -4.019 1.00 0.00 O ATOM 239 CB PRO A 14 13.423 10.747 -6.564 1.00 0.00 C ATOM 240 CG PRO A 14 13.112 12.069 -5.911 1.00 0.00 C ATOM 241 CD PRO A 14 11.626 12.060 -5.647 1.00 0.00 C ATOM 0 HA PRO A 14 11.862 9.243 -6.959 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.402 10.381 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.447 10.845 -7.649 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.673 12.188 -4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.388 12.900 -6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.369 12.655 -4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.066 12.471 -6.487 1.00 0.00 H new ATOM 249 N ALA A 15 13.064 7.513 -5.733 1.00 0.00 N ATOM 250 CA ALA A 15 13.491 6.372 -4.947 1.00 0.00 C ATOM 251 C ALA A 15 14.991 6.147 -5.086 1.00 0.00 C ATOM 252 O ALA A 15 15.506 5.981 -6.194 1.00 0.00 O ATOM 253 CB ALA A 15 12.731 5.137 -5.381 1.00 0.00 C ATOM 0 H ALA A 15 12.923 7.310 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 15 13.276 6.573 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.056 4.283 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.663 5.297 -5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.926 4.941 -6.435 1.00 0.00 H new ATOM 259 N GLU A 16 15.684 6.129 -3.964 1.00 0.00 N ATOM 260 CA GLU A 16 17.128 6.011 -3.963 1.00 0.00 C ATOM 261 C GLU A 16 17.564 4.869 -3.050 1.00 0.00 C ATOM 262 O GLU A 16 17.131 4.777 -1.901 1.00 0.00 O ATOM 263 CB GLU A 16 17.722 7.342 -3.497 1.00 0.00 C ATOM 264 CG GLU A 16 19.093 7.691 -4.066 1.00 0.00 C ATOM 265 CD GLU A 16 20.235 6.879 -3.508 1.00 0.00 C ATOM 266 OE1 GLU A 16 20.653 5.908 -4.169 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.757 7.243 -2.440 1.00 0.00 O ATOM 0 H GLU A 16 15.266 6.195 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 16 17.487 5.785 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.027 8.140 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.794 7.325 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.066 7.559 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.291 8.746 -3.879 1.00 0.00 H new ATOM 274 N ASN A 17 18.407 4.000 -3.579 1.00 0.00 N ATOM 275 CA ASN A 17 18.896 2.840 -2.832 1.00 0.00 C ATOM 276 C ASN A 17 20.016 3.246 -1.882 1.00 0.00 C ATOM 277 O ASN A 17 21.029 3.815 -2.286 1.00 0.00 O ATOM 278 CB ASN A 17 19.337 1.719 -3.795 1.00 0.00 C ATOM 279 CG ASN A 17 20.340 0.733 -3.201 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.351 0.462 -2.002 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.185 0.172 -4.052 1.00 0.00 N ATOM 0 H ASN A 17 18.773 4.071 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 17 18.081 2.446 -2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.454 1.168 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.775 2.172 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.870 -0.506 -3.718 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.151 0.418 -5.041 1.00 0.00 H new ATOM 288 N GLY A 18 19.817 2.935 -0.613 1.00 0.00 N ATOM 289 CA GLY A 18 20.719 3.392 0.415 1.00 0.00 C ATOM 290 C GLY A 18 20.351 4.788 0.854 1.00 0.00 C ATOM 291 O GLY A 18 21.175 5.525 1.395 1.00 0.00 O ATOM 0 H GLY A 18 19.039 2.369 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.682 2.714 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.743 3.379 0.041 1.00 0.00 H new ATOM 295 N LYS A 19 19.100 5.146 0.609 1.00 0.00 N ATOM 296 CA LYS A 19 18.604 6.476 0.906 1.00 0.00 C ATOM 297 C LYS A 19 17.265 6.377 1.612 1.00 0.00 C ATOM 298 O LYS A 19 16.476 5.473 1.337 1.00 0.00 O ATOM 299 CB LYS A 19 18.425 7.263 -0.388 1.00 0.00 C ATOM 300 CG LYS A 19 18.430 8.779 -0.221 1.00 0.00 C ATOM 301 CD LYS A 19 19.847 9.336 -0.144 1.00 0.00 C ATOM 302 CE LYS A 19 19.886 10.699 0.552 1.00 0.00 C ATOM 303 NZ LYS A 19 19.176 10.683 1.860 1.00 0.00 N ATOM 0 H LYS A 19 18.404 4.523 0.200 1.00 0.00 H new ATOM 0 HA LYS A 19 19.323 6.985 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.221 6.985 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.484 6.966 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.904 9.238 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.885 9.047 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.484 8.635 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.256 9.430 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.923 10.996 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.433 11.449 -0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.560 11.430 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.161 10.849 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.310 9.758 2.317 1.00 0.00 H new ATOM 317 N SER A 20 17.019 7.294 2.527 1.00 0.00 N ATOM 318 CA SER A 20 15.738 7.375 3.186 1.00 0.00 C ATOM 319 C SER A 20 14.690 7.848 2.191 1.00 0.00 C ATOM 320 O SER A 20 14.870 8.857 1.503 1.00 0.00 O ATOM 321 CB SER A 20 15.815 8.322 4.375 1.00 0.00 C ATOM 322 OG SER A 20 14.567 8.432 5.040 1.00 0.00 O ATOM 0 H SER A 20 17.695 7.995 2.829 1.00 0.00 H new ATOM 0 HA SER A 20 15.458 6.389 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.570 7.966 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.134 9.307 4.035 1.00 0.00 H new ATOM 0 HG SER A 20 14.654 9.046 5.799 1.00 0.00 H new ATOM 328 N ASN A 21 13.611 7.111 2.122 1.00 0.00 N ATOM 329 CA ASN A 21 12.574 7.337 1.133 1.00 0.00 C ATOM 330 C ASN A 21 11.224 7.219 1.831 1.00 0.00 C ATOM 331 O ASN A 21 11.154 6.724 2.959 1.00 0.00 O ATOM 332 CB ASN A 21 12.713 6.278 0.019 1.00 0.00 C ATOM 333 CG ASN A 21 12.068 6.665 -1.306 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.606 5.794 -2.041 1.00 0.00 O ATOM 335 ND2 ASN A 21 12.042 7.952 -1.643 1.00 0.00 N ATOM 0 H ASN A 21 13.421 6.331 2.752 1.00 0.00 H new ATOM 0 HA ASN A 21 12.661 8.326 0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.772 6.084 -0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.269 5.345 0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.631 8.238 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.433 8.652 -1.013 1.00 0.00 H new ATOM 342 N PHE A 22 10.161 7.670 1.186 1.00 0.00 N ATOM 343 CA PHE A 22 8.830 7.581 1.774 1.00 0.00 C ATOM 344 C PHE A 22 7.920 6.750 0.876 1.00 0.00 C ATOM 345 O PHE A 22 7.748 7.062 -0.304 1.00 0.00 O ATOM 346 CB PHE A 22 8.224 8.974 1.980 1.00 0.00 C ATOM 347 CG PHE A 22 8.808 9.772 3.110 1.00 0.00 C ATOM 348 CD1 PHE A 22 10.102 10.258 3.048 1.00 0.00 C ATOM 349 CD2 PHE A 22 8.040 10.057 4.227 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.623 11.011 4.082 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.554 10.808 5.264 1.00 0.00 C ATOM 352 CZ PHE A 22 9.847 11.284 5.193 1.00 0.00 C ATOM 0 H PHE A 22 10.190 8.099 0.261 1.00 0.00 H new ATOM 0 HA PHE A 22 8.920 7.099 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.342 9.543 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.153 8.864 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.711 10.046 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.027 9.687 4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.634 11.386 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.945 11.023 6.130 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.253 11.869 6.005 1.00 0.00 H new ATOM 362 N LEU A 23 7.347 5.695 1.437 1.00 0.00 N ATOM 363 CA LEU A 23 6.476 4.803 0.682 1.00 0.00 C ATOM 364 C LEU A 23 5.063 5.345 0.673 1.00 0.00 C ATOM 365 O LEU A 23 4.683 6.115 1.548 1.00 0.00 O ATOM 366 CB LEU A 23 6.459 3.412 1.315 1.00 0.00 C ATOM 367 CG LEU A 23 6.786 2.224 0.390 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.700 0.919 1.170 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.860 2.169 -0.820 1.00 0.00 C ATOM 0 H LEU A 23 7.470 5.434 2.416 1.00 0.00 H new ATOM 0 HA LEU A 23 6.858 4.737 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.171 3.406 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.471 3.246 1.745 1.00 0.00 H new ATOM 0 HG LEU A 23 7.802 2.365 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.932 0.084 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.414 0.940 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.692 0.798 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.127 1.316 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.828 2.064 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.962 3.087 -1.398 1.00 0.00 H new ATOM 381 N ASN A 24 4.304 4.932 -0.318 1.00 0.00 N ATOM 382 CA ASN A 24 2.884 5.227 -0.383 1.00 0.00 C ATOM 383 C ASN A 24 2.143 4.017 -0.927 1.00 0.00 C ATOM 384 O ASN A 24 2.457 3.522 -2.011 1.00 0.00 O ATOM 385 CB ASN A 24 2.594 6.453 -1.265 1.00 0.00 C ATOM 386 CG ASN A 24 2.760 7.774 -0.543 1.00 0.00 C ATOM 387 OD1 ASN A 24 2.582 7.867 0.670 1.00 0.00 O ATOM 388 ND2 ASN A 24 3.063 8.817 -1.297 1.00 0.00 N ATOM 0 H ASN A 24 4.651 4.382 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 24 2.541 5.457 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.259 6.434 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.575 6.383 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.157 9.741 -0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.203 8.698 -2.300 1.00 0.00 H new ATOM 395 N CYS A 25 1.166 3.538 -0.183 1.00 0.00 N ATOM 396 CA CYS A 25 0.362 2.418 -0.624 1.00 0.00 C ATOM 397 C CYS A 25 -1.083 2.876 -0.670 1.00 0.00 C ATOM 398 O CYS A 25 -1.642 3.305 0.343 1.00 0.00 O ATOM 399 CB CYS A 25 0.541 1.228 0.313 1.00 0.00 C ATOM 400 SG CYS A 25 0.090 -0.375 -0.421 1.00 0.00 S ATOM 0 H CYS A 25 0.910 3.909 0.732 1.00 0.00 H new ATOM 0 HA CYS A 25 0.674 2.088 -1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.581 1.187 0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.063 1.389 1.206 1.00 0.00 H new ATOM 405 N TYR A 26 -1.676 2.804 -1.846 1.00 0.00 N ATOM 406 CA TYR A 26 -2.979 3.385 -2.077 1.00 0.00 C ATOM 407 C TYR A 26 -3.936 2.308 -2.540 1.00 0.00 C ATOM 408 O TYR A 26 -3.901 1.886 -3.695 1.00 0.00 O ATOM 409 CB TYR A 26 -2.904 4.495 -3.136 1.00 0.00 C ATOM 410 CG TYR A 26 -2.349 5.836 -2.668 1.00 0.00 C ATOM 411 CD1 TYR A 26 -0.990 6.139 -2.772 1.00 0.00 C ATOM 412 CD2 TYR A 26 -3.198 6.828 -2.180 1.00 0.00 C ATOM 413 CE1 TYR A 26 -0.504 7.379 -2.404 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.712 8.066 -1.804 1.00 0.00 C ATOM 415 CZ TYR A 26 -1.366 8.336 -1.923 1.00 0.00 C ATOM 416 OH TYR A 26 -0.883 9.573 -1.558 1.00 0.00 O ATOM 0 H TYR A 26 -1.270 2.344 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.334 3.822 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.289 4.139 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.906 4.659 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.307 5.391 -3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.255 6.625 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.550 7.596 -2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.384 8.818 -1.419 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.622 10.132 -1.240 1.00 0.00 H new ATOM 426 N VAL A 27 -4.773 1.847 -1.635 1.00 0.00 N ATOM 427 CA VAL A 27 -5.777 0.868 -1.982 1.00 0.00 C ATOM 428 C VAL A 27 -7.136 1.548 -2.011 1.00 0.00 C ATOM 429 O VAL A 27 -7.706 1.859 -0.968 1.00 0.00 O ATOM 430 CB VAL A 27 -5.813 -0.314 -0.997 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.473 -1.509 -1.657 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.418 -0.676 -0.514 1.00 0.00 C ATOM 0 H VAL A 27 -4.777 2.134 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.524 0.462 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.395 -0.017 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.497 -2.344 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.491 -1.249 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.906 -1.794 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.479 -1.514 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.799 -0.955 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.974 0.182 -0.009 1.00 0.00 H new ATOM 442 N SER A 28 -7.633 1.806 -3.206 1.00 0.00 N ATOM 443 CA SER A 28 -8.874 2.538 -3.362 1.00 0.00 C ATOM 444 C SER A 28 -9.748 1.870 -4.419 1.00 0.00 C ATOM 445 O SER A 28 -9.327 0.911 -5.072 1.00 0.00 O ATOM 446 CB SER A 28 -8.572 3.994 -3.740 1.00 0.00 C ATOM 447 OG SER A 28 -9.744 4.795 -3.726 1.00 0.00 O ATOM 0 H SER A 28 -7.196 1.519 -4.082 1.00 0.00 H new ATOM 0 HA SER A 28 -9.419 2.531 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.841 4.406 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.121 4.026 -4.732 1.00 0.00 H new ATOM 0 HG SER A 28 -9.501 5.727 -3.542 1.00 0.00 H new ATOM 453 N GLY A 29 -10.964 2.377 -4.575 1.00 0.00 N ATOM 454 CA GLY A 29 -11.889 1.812 -5.529 1.00 0.00 C ATOM 455 C GLY A 29 -12.778 0.770 -4.895 1.00 0.00 C ATOM 456 O GLY A 29 -13.291 -0.109 -5.577 1.00 0.00 O ATOM 0 H GLY A 29 -11.325 3.175 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.504 2.606 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.334 1.364 -6.353 1.00 0.00 H new ATOM 460 N PHE A 30 -12.936 0.847 -3.583 1.00 0.00 N ATOM 461 CA PHE A 30 -13.768 -0.112 -2.869 1.00 0.00 C ATOM 462 C PHE A 30 -14.786 0.587 -1.969 1.00 0.00 C ATOM 463 O PHE A 30 -14.807 1.816 -1.865 1.00 0.00 O ATOM 464 CB PHE A 30 -12.885 -1.021 -2.006 1.00 0.00 C ATOM 465 CG PHE A 30 -12.262 -0.292 -0.847 1.00 0.00 C ATOM 466 CD1 PHE A 30 -12.875 -0.294 0.394 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.078 0.405 -1.002 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.321 0.384 1.457 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.518 1.085 0.060 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.142 1.075 1.290 1.00 0.00 C ATOM 0 H PHE A 30 -12.503 1.558 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.308 -0.699 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.483 -1.851 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.098 -1.451 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.800 -0.834 0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.587 0.417 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.810 0.374 2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.592 1.625 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.706 1.609 2.121 1.00 0.00 H new ATOM 480 N HIS A 31 -15.619 -0.223 -1.320 1.00 0.00 N ATOM 481 CA HIS A 31 -16.536 0.231 -0.287 1.00 0.00 C ATOM 482 C HIS A 31 -16.962 -0.997 0.525 1.00 0.00 C ATOM 483 O HIS A 31 -16.797 -2.113 0.040 1.00 0.00 O ATOM 484 CB HIS A 31 -17.750 0.950 -0.904 1.00 0.00 C ATOM 485 CG HIS A 31 -18.442 0.182 -1.998 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.149 0.396 -3.327 1.00 0.00 N ATOM 487 CD2 HIS A 31 -19.404 -0.768 -1.907 1.00 0.00 C ATOM 488 CE1 HIS A 31 -18.933 -0.423 -4.005 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.708 -1.147 -3.189 1.00 0.00 N ATOM 0 H HIS A 31 -15.674 -1.225 -1.502 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.048 0.956 0.365 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.471 1.161 -0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -17.423 1.910 -1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.846 -1.152 -1.000 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -18.947 -0.499 -5.082 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -20.395 -1.848 -3.468 1.00 0.00 H new ATOM 497 N PRO A 32 -17.471 -0.863 1.770 1.00 0.00 N ATOM 498 CA PRO A 32 -17.608 0.407 2.503 1.00 0.00 C ATOM 499 C PRO A 32 -16.260 0.990 2.941 1.00 0.00 C ATOM 500 O PRO A 32 -15.199 0.526 2.525 1.00 0.00 O ATOM 501 CB PRO A 32 -18.429 0.023 3.746 1.00 0.00 C ATOM 502 CG PRO A 32 -18.981 -1.328 3.458 1.00 0.00 C ATOM 503 CD PRO A 32 -17.982 -1.987 2.564 1.00 0.00 C ATOM 0 HA PRO A 32 -18.068 1.173 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.805 0.009 4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.228 0.743 3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.122 -1.898 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.955 -1.259 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -17.190 -2.475 3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.441 -2.751 1.936 1.00 0.00 H new ATOM 511 N SER A 33 -16.335 2.006 3.791 1.00 0.00 N ATOM 512 CA SER A 33 -15.159 2.761 4.252 1.00 0.00 C ATOM 513 C SER A 33 -14.211 1.953 5.162 1.00 0.00 C ATOM 514 O SER A 33 -13.944 2.373 6.290 1.00 0.00 O ATOM 515 CB SER A 33 -15.621 4.010 5.006 1.00 0.00 C ATOM 516 OG SER A 33 -16.641 4.688 4.290 1.00 0.00 O ATOM 0 H SER A 33 -17.215 2.337 4.187 1.00 0.00 H new ATOM 0 HA SER A 33 -14.593 3.018 3.357 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.990 3.728 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.775 4.679 5.162 1.00 0.00 H new ATOM 0 HG SER A 33 -16.279 5.023 3.443 1.00 0.00 H new ATOM 522 N ASP A 34 -13.692 0.818 4.679 1.00 0.00 N ATOM 523 CA ASP A 34 -12.678 0.066 5.432 1.00 0.00 C ATOM 524 C ASP A 34 -12.081 -1.091 4.638 1.00 0.00 C ATOM 525 O ASP A 34 -12.792 -1.908 4.054 1.00 0.00 O ATOM 526 CB ASP A 34 -13.234 -0.464 6.756 1.00 0.00 C ATOM 527 CG ASP A 34 -12.316 -1.475 7.419 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.636 -2.682 7.401 1.00 0.00 O ATOM 529 OD2 ASP A 34 -11.275 -1.067 7.972 1.00 0.00 O ATOM 0 H ASP A 34 -13.952 0.404 3.784 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.881 0.781 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.398 0.372 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.206 -0.925 6.578 1.00 0.00 H new ATOM 534 N ILE A 35 -10.761 -1.122 4.626 1.00 0.00 N ATOM 535 CA ILE A 35 -9.985 -2.244 4.087 1.00 0.00 C ATOM 536 C ILE A 35 -8.701 -2.369 4.892 1.00 0.00 C ATOM 537 O ILE A 35 -8.250 -1.390 5.494 1.00 0.00 O ATOM 538 CB ILE A 35 -9.596 -2.058 2.593 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.146 -3.398 1.983 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.472 -1.041 2.461 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.206 -3.256 0.793 1.00 0.00 C ATOM 0 H ILE A 35 -10.184 -0.365 4.992 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.612 -3.133 4.158 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.473 -1.697 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.651 -3.988 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.028 -3.957 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.211 -0.922 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.799 -0.083 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.600 -1.389 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.936 -4.245 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.703 -2.695 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.305 -2.726 1.102 1.00 0.00 H new ATOM 553 N GLU A 36 -8.121 -3.556 4.940 1.00 0.00 N ATOM 554 CA GLU A 36 -6.800 -3.701 5.512 1.00 0.00 C ATOM 555 C GLU A 36 -5.771 -3.833 4.430 1.00 0.00 C ATOM 556 O GLU A 36 -5.985 -4.486 3.405 1.00 0.00 O ATOM 557 CB GLU A 36 -6.677 -4.908 6.431 1.00 0.00 C ATOM 558 CG GLU A 36 -7.519 -4.813 7.666 1.00 0.00 C ATOM 559 CD GLU A 36 -7.339 -6.005 8.583 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.367 -6.016 9.368 1.00 0.00 O ATOM 561 OE2 GLU A 36 -8.166 -6.937 8.523 1.00 0.00 O ATOM 0 H GLU A 36 -8.539 -4.420 4.594 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.632 -2.801 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.958 -5.804 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.633 -5.027 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.264 -3.901 8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.568 -4.733 7.381 1.00 0.00 H new ATOM 568 N VAL A 37 -4.648 -3.222 4.691 1.00 0.00 N ATOM 569 CA VAL A 37 -3.510 -3.295 3.799 1.00 0.00 C ATOM 570 C VAL A 37 -2.226 -3.159 4.600 1.00 0.00 C ATOM 571 O VAL A 37 -2.086 -2.269 5.438 1.00 0.00 O ATOM 572 CB VAL A 37 -3.576 -2.268 2.626 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.632 -1.217 2.882 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.220 -1.614 2.338 1.00 0.00 C ATOM 0 H VAL A 37 -4.490 -2.658 5.526 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.530 -4.273 3.319 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.854 -2.832 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.656 -0.515 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.606 -1.696 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.397 -0.681 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.324 -0.909 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.875 -1.085 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.495 -2.382 2.069 1.00 0.00 H new ATOM 584 N ASP A 38 -1.322 -4.077 4.349 1.00 0.00 N ATOM 585 CA ASP A 38 -0.075 -4.153 5.084 1.00 0.00 C ATOM 586 C ASP A 38 1.102 -4.154 4.129 1.00 0.00 C ATOM 587 O ASP A 38 1.026 -4.705 3.033 1.00 0.00 O ATOM 588 CB ASP A 38 -0.048 -5.391 5.989 1.00 0.00 C ATOM 589 CG ASP A 38 1.349 -5.807 6.354 1.00 0.00 C ATOM 590 OD1 ASP A 38 1.781 -6.892 5.914 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.009 -5.051 7.089 1.00 0.00 O ATOM 0 H ASP A 38 -1.427 -4.793 3.630 1.00 0.00 H new ATOM 0 HA ASP A 38 0.002 -3.272 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.611 -5.184 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.549 -6.217 5.484 1.00 0.00 H new ATOM 596 N LEU A 39 2.178 -3.525 4.545 1.00 0.00 N ATOM 597 CA LEU A 39 3.356 -3.401 3.715 1.00 0.00 C ATOM 598 C LEU A 39 4.349 -4.496 4.080 1.00 0.00 C ATOM 599 O LEU A 39 4.540 -4.808 5.251 1.00 0.00 O ATOM 600 CB LEU A 39 4.001 -2.025 3.895 1.00 0.00 C ATOM 601 CG LEU A 39 3.041 -0.830 3.873 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.804 0.468 4.093 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.262 -0.765 2.570 1.00 0.00 C ATOM 0 H LEU A 39 2.262 -3.087 5.462 1.00 0.00 H new ATOM 0 HA LEU A 39 3.065 -3.507 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.538 -2.018 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.742 -1.886 3.108 1.00 0.00 H new ATOM 0 HG LEU A 39 2.326 -0.965 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.108 1.307 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.307 0.435 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.544 0.593 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.591 0.094 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.956 -0.665 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.679 -1.678 2.449 1.00 0.00 H new ATOM 615 N LEU A 40 4.980 -5.074 3.075 1.00 0.00 N ATOM 616 CA LEU A 40 5.901 -6.181 3.294 1.00 0.00 C ATOM 617 C LEU A 40 7.282 -5.832 2.842 1.00 0.00 C ATOM 618 O LEU A 40 7.513 -4.794 2.238 1.00 0.00 O ATOM 619 CB LEU A 40 5.486 -7.416 2.520 1.00 0.00 C ATOM 620 CG LEU A 40 4.002 -7.707 2.499 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.696 -8.771 1.465 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.518 -8.136 3.873 1.00 0.00 C ATOM 0 H LEU A 40 4.874 -4.798 2.099 1.00 0.00 H new ATOM 0 HA LEU A 40 5.881 -6.380 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.832 -7.311 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.001 -8.278 2.944 1.00 0.00 H new ATOM 0 HG LEU A 40 3.472 -6.794 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.625 -8.974 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.006 -8.421 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.236 -9.685 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.448 -8.340 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.048 -9.037 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.710 -7.339 4.591 1.00 0.00 H new ATOM 634 N LYS A 41 8.203 -6.701 3.181 1.00 0.00 N ATOM 635 CA LYS A 41 9.560 -6.629 2.700 1.00 0.00 C ATOM 636 C LYS A 41 10.022 -8.009 2.332 1.00 0.00 C ATOM 637 O LYS A 41 10.153 -8.877 3.194 1.00 0.00 O ATOM 638 CB LYS A 41 10.463 -6.088 3.783 1.00 0.00 C ATOM 639 CG LYS A 41 9.877 -4.853 4.456 1.00 0.00 C ATOM 640 CD LYS A 41 10.718 -4.395 5.643 1.00 0.00 C ATOM 641 CE LYS A 41 12.019 -3.710 5.228 1.00 0.00 C ATOM 642 NZ LYS A 41 13.004 -4.636 4.598 1.00 0.00 N ATOM 0 H LYS A 41 8.028 -7.488 3.806 1.00 0.00 H new ATOM 0 HA LYS A 41 9.598 -5.971 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.633 -6.862 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.434 -5.840 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.805 -4.044 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.863 -5.070 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.131 -3.708 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.952 -5.256 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.790 -2.906 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.474 -3.250 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.969 -4.313 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.869 -5.596 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.862 -4.646 3.568 1.00 0.00 H new ATOM 656 N ASN A 42 10.217 -8.200 1.047 1.00 0.00 N ATOM 657 CA ASN A 42 10.627 -9.479 0.470 1.00 0.00 C ATOM 658 C ASN A 42 9.501 -10.512 0.571 1.00 0.00 C ATOM 659 O ASN A 42 9.367 -11.392 -0.281 1.00 0.00 O ATOM 660 CB ASN A 42 11.901 -10.008 1.156 1.00 0.00 C ATOM 661 CG ASN A 42 13.141 -9.897 0.285 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.913 -8.819 0.440 1.00 0.00 O flip ATOM 663 ND2 ASN A 42 13.418 -10.787 -0.516 1.00 0.00 N flip ATOM 0 H ASN A 42 10.095 -7.463 0.353 1.00 0.00 H new ATOM 0 HA ASN A 42 10.847 -9.313 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.064 -9.455 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.751 -11.052 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.806 -11.598 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.260 -10.715 -1.087 1.00 0.00 H new ATOM 670 N GLY A 43 8.672 -10.360 1.593 1.00 0.00 N ATOM 671 CA GLY A 43 7.623 -11.308 1.879 1.00 0.00 C ATOM 672 C GLY A 43 7.162 -11.224 3.318 1.00 0.00 C ATOM 673 O GLY A 43 6.191 -11.875 3.700 1.00 0.00 O ATOM 0 H GLY A 43 8.713 -9.575 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.778 -11.125 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.979 -12.317 1.670 1.00 0.00 H new ATOM 677 N GLU A 44 7.850 -10.413 4.115 1.00 0.00 N ATOM 678 CA GLU A 44 7.597 -10.345 5.539 1.00 0.00 C ATOM 679 C GLU A 44 6.960 -9.015 5.922 1.00 0.00 C ATOM 680 O GLU A 44 7.278 -7.981 5.339 1.00 0.00 O ATOM 681 CB GLU A 44 8.927 -10.525 6.238 1.00 0.00 C ATOM 682 CG GLU A 44 9.663 -11.744 5.746 1.00 0.00 C ATOM 683 CD GLU A 44 9.009 -13.034 6.192 1.00 0.00 C ATOM 684 OE1 GLU A 44 9.114 -13.375 7.388 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.383 -13.713 5.354 1.00 0.00 O ATOM 0 H GLU A 44 8.591 -9.792 3.790 1.00 0.00 H new ATOM 0 HA GLU A 44 6.896 -11.125 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.543 -9.640 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.763 -10.609 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.710 -11.722 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.690 -11.716 6.110 1.00 0.00 H new ATOM 692 N ARG A 45 6.068 -9.060 6.900 1.00 0.00 N ATOM 693 CA ARG A 45 5.280 -7.895 7.302 1.00 0.00 C ATOM 694 C ARG A 45 6.135 -6.786 7.929 1.00 0.00 C ATOM 695 O ARG A 45 7.094 -7.062 8.656 1.00 0.00 O ATOM 696 CB ARG A 45 4.199 -8.325 8.304 1.00 0.00 C ATOM 697 CG ARG A 45 3.184 -7.228 8.593 1.00 0.00 C ATOM 698 CD ARG A 45 2.020 -7.678 9.469 1.00 0.00 C ATOM 699 NE ARG A 45 1.191 -6.534 9.844 1.00 0.00 N ATOM 700 CZ ARG A 45 0.618 -6.380 11.035 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.796 -7.290 11.985 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.127 -5.306 11.279 1.00 0.00 N ATOM 0 H ARG A 45 5.867 -9.902 7.439 1.00 0.00 H new ATOM 0 HA ARG A 45 4.829 -7.488 6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.679 -9.200 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.676 -8.626 9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.692 -6.396 9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.791 -6.852 7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.417 -8.412 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.400 -8.169 10.365 1.00 0.00 H new ATOM 0 HE ARG A 45 1.042 -5.805 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.374 -8.111 11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.355 -7.168 12.897 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.259 -4.601 10.554 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.567 -5.187 12.192 1.00 0.00 H new ATOM 716 N ILE A 46 5.760 -5.537 7.648 1.00 0.00 N ATOM 717 CA ILE A 46 6.341 -4.368 8.296 1.00 0.00 C ATOM 718 C ILE A 46 5.421 -3.939 9.425 1.00 0.00 C ATOM 719 O ILE A 46 4.201 -3.991 9.286 1.00 0.00 O ATOM 720 CB ILE A 46 6.481 -3.167 7.328 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.367 -3.497 6.137 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.047 -1.955 8.060 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.373 -2.394 5.097 1.00 0.00 C ATOM 0 H ILE A 46 5.041 -5.311 6.961 1.00 0.00 H new ATOM 0 HA ILE A 46 7.334 -4.646 8.650 1.00 0.00 H new ATOM 0 HB ILE A 46 5.482 -2.938 6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.386 -3.672 6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.023 -4.424 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.139 -1.120 7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.378 -1.677 8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.029 -2.200 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.020 -2.679 4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.359 -2.236 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.743 -1.472 5.546 1.00 0.00 H new ATOM 735 N GLU A 47 5.981 -3.518 10.539 1.00 0.00 N ATOM 736 CA GLU A 47 5.156 -3.111 11.669 1.00 0.00 C ATOM 737 C GLU A 47 5.117 -1.591 11.848 1.00 0.00 C ATOM 738 O GLU A 47 4.123 -1.052 12.328 1.00 0.00 O ATOM 739 CB GLU A 47 5.591 -3.834 12.956 1.00 0.00 C ATOM 740 CG GLU A 47 7.072 -4.039 13.118 1.00 0.00 C ATOM 741 CD GLU A 47 7.782 -2.881 13.783 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.863 -2.485 13.298 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.278 -2.373 14.803 1.00 0.00 O ATOM 0 H GLU A 47 6.987 -3.447 10.691 1.00 0.00 H new ATOM 0 HA GLU A 47 4.133 -3.414 11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.225 -3.266 13.812 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.102 -4.808 12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.242 -4.942 13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.515 -4.209 12.137 1.00 0.00 H new ATOM 750 N LYS A 48 6.191 -0.898 11.478 1.00 0.00 N ATOM 751 CA LYS A 48 6.227 0.561 11.521 1.00 0.00 C ATOM 752 C LYS A 48 5.431 1.221 10.393 1.00 0.00 C ATOM 753 O LYS A 48 5.671 2.377 10.041 1.00 0.00 O ATOM 754 CB LYS A 48 7.679 0.994 11.483 1.00 0.00 C ATOM 755 CG LYS A 48 8.462 0.377 12.617 1.00 0.00 C ATOM 756 CD LYS A 48 8.530 1.302 13.810 1.00 0.00 C ATOM 757 CE LYS A 48 8.581 0.530 15.119 1.00 0.00 C ATOM 758 NZ LYS A 48 9.599 -0.550 15.099 1.00 0.00 N ATOM 0 H LYS A 48 7.053 -1.327 11.143 1.00 0.00 H new ATOM 0 HA LYS A 48 5.746 0.890 12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.123 0.704 10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.739 2.081 11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.998 -0.564 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.471 0.143 12.279 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.412 1.937 13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.661 1.961 13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.801 1.218 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.601 0.098 15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.527 -1.111 15.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.436 -1.166 14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.549 -0.131 15.035 1.00 0.00 H new ATOM 772 N VAL A 49 4.515 0.476 9.809 1.00 0.00 N ATOM 773 CA VAL A 49 3.554 1.030 8.871 1.00 0.00 C ATOM 774 C VAL A 49 2.491 1.842 9.600 1.00 0.00 C ATOM 775 O VAL A 49 1.962 1.413 10.627 1.00 0.00 O ATOM 776 CB VAL A 49 2.863 -0.080 8.070 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.859 0.505 7.089 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.898 -0.919 7.351 1.00 0.00 C ATOM 0 H VAL A 49 4.414 -0.526 9.969 1.00 0.00 H new ATOM 0 HA VAL A 49 4.105 1.678 8.190 1.00 0.00 H new ATOM 0 HB VAL A 49 2.315 -0.721 8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.382 -0.302 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.101 1.067 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.373 1.170 6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.399 -1.705 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.469 -0.288 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.572 -1.369 8.080 1.00 0.00 H new ATOM 788 N GLU A 50 2.179 3.010 9.061 1.00 0.00 N ATOM 789 CA GLU A 50 1.165 3.865 9.642 1.00 0.00 C ATOM 790 C GLU A 50 0.185 4.343 8.582 1.00 0.00 C ATOM 791 O GLU A 50 0.555 4.575 7.429 1.00 0.00 O ATOM 792 CB GLU A 50 1.799 5.076 10.324 1.00 0.00 C ATOM 793 CG GLU A 50 2.768 4.724 11.437 1.00 0.00 C ATOM 794 CD GLU A 50 3.284 5.950 12.149 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.347 6.473 11.752 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.620 6.410 13.100 1.00 0.00 O ATOM 0 H GLU A 50 2.617 3.385 8.220 1.00 0.00 H new ATOM 0 HA GLU A 50 0.628 3.276 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.323 5.668 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.008 5.705 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.273 4.070 12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.608 4.165 11.023 1.00 0.00 H new ATOM 803 N HIS A 51 -1.061 4.470 8.986 1.00 0.00 N ATOM 804 CA HIS A 51 -2.088 5.068 8.146 1.00 0.00 C ATOM 805 C HIS A 51 -2.494 6.418 8.721 1.00 0.00 C ATOM 806 O HIS A 51 -2.797 6.534 9.910 1.00 0.00 O ATOM 807 CB HIS A 51 -3.311 4.148 7.996 1.00 0.00 C ATOM 808 CG HIS A 51 -3.994 3.775 9.279 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.259 4.226 9.566 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.564 2.988 10.296 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.570 3.709 10.738 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.575 2.950 11.220 1.00 0.00 N ATOM 0 H HIS A 51 -1.394 4.165 9.901 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.673 5.211 7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.036 4.638 7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.998 3.234 7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.609 2.488 10.364 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.508 3.876 11.246 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.572 2.442 12.105 1.00 0.00 H new ATOM 820 N SER A 52 -2.447 7.444 7.889 1.00 0.00 N ATOM 821 CA SER A 52 -2.780 8.792 8.326 1.00 0.00 C ATOM 822 C SER A 52 -4.268 9.071 8.124 1.00 0.00 C ATOM 823 O SER A 52 -5.057 8.137 7.971 1.00 0.00 O ATOM 824 CB SER A 52 -1.931 9.822 7.574 1.00 0.00 C ATOM 825 OG SER A 52 -1.940 11.079 8.238 1.00 0.00 O ATOM 0 H SER A 52 -2.182 7.371 6.907 1.00 0.00 H new ATOM 0 HA SER A 52 -2.559 8.874 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.906 9.460 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.312 9.941 6.560 1.00 0.00 H new ATOM 0 HG SER A 52 -1.389 11.717 7.738 1.00 0.00 H new ATOM 973 N PHE A 62 -13.837 5.724 -0.848 1.00 0.00 N ATOM 974 CA PHE A 62 -13.194 6.229 0.349 1.00 0.00 C ATOM 975 C PHE A 62 -11.740 5.776 0.364 1.00 0.00 C ATOM 976 O PHE A 62 -11.446 4.601 0.586 1.00 0.00 O ATOM 977 CB PHE A 62 -13.933 5.733 1.598 1.00 0.00 C ATOM 978 CG PHE A 62 -15.442 5.791 1.492 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.155 6.902 1.929 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.149 4.714 0.968 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.540 6.936 1.841 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.529 4.746 0.877 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.223 5.856 1.314 1.00 0.00 C ATOM 0 HA PHE A 62 -13.227 7.319 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.634 4.704 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.617 6.330 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.625 7.748 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.613 3.840 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.083 7.805 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.063 3.903 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.300 5.881 1.244 1.00 0.00 H new ATOM 993 N TYR A 63 -10.845 6.718 0.102 1.00 0.00 N ATOM 994 CA TYR A 63 -9.424 6.425 -0.022 1.00 0.00 C ATOM 995 C TYR A 63 -8.839 6.066 1.339 1.00 0.00 C ATOM 996 O TYR A 63 -9.276 6.583 2.363 1.00 0.00 O ATOM 997 CB TYR A 63 -8.685 7.650 -0.585 1.00 0.00 C ATOM 998 CG TYR A 63 -9.397 8.338 -1.734 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.377 9.290 -1.490 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.085 8.045 -3.055 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -11.026 9.931 -2.522 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -9.733 8.684 -4.098 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.704 9.627 -3.823 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.352 10.274 -4.850 1.00 0.00 O ATOM 0 H TYR A 63 -11.081 7.701 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.301 5.580 -0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.537 8.371 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.695 7.340 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.636 9.533 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.326 7.308 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.785 10.670 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.481 8.447 -5.121 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.011 9.948 -5.709 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.857 5.180 1.346 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.142 4.849 2.567 1.00 0.00 C ATOM 1016 C LEU A 64 -5.669 4.617 2.259 1.00 0.00 C ATOM 1017 O LEU A 64 -5.316 3.909 1.312 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.825 3.654 3.255 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.033 2.912 4.330 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.986 2.419 5.404 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.294 1.742 3.709 1.00 0.00 C ATOM 0 H LEU A 64 -7.537 4.677 0.519 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.179 5.679 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.752 4.010 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.101 2.935 2.484 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.304 3.587 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.424 1.889 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.501 3.269 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.718 1.745 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.731 1.217 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.011 1.059 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.608 2.109 2.945 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.817 5.248 3.057 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.392 5.290 2.782 1.00 0.00 C ATOM 1035 C LEU A 65 -2.609 4.542 3.857 1.00 0.00 C ATOM 1036 O LEU A 65 -2.836 4.738 5.047 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.939 6.756 2.737 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.763 7.089 1.806 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.487 8.586 1.822 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.506 6.326 2.188 1.00 0.00 C ATOM 0 H LEU A 65 -5.094 5.741 3.906 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.200 4.807 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.792 7.366 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.668 7.059 3.748 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.045 6.782 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.652 8.809 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.373 9.123 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.239 8.899 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.302 6.590 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.219 6.585 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.698 5.255 2.126 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.686 3.701 3.423 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.781 3.005 4.330 1.00 0.00 C ATOM 1054 C TYR A 66 0.661 3.216 3.888 1.00 0.00 C ATOM 1055 O TYR A 66 1.053 2.803 2.801 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.109 1.513 4.386 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.087 1.112 5.471 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.428 0.897 5.190 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.652 0.893 6.774 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.304 0.481 6.169 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.527 0.485 7.763 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.852 0.278 7.454 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.730 -0.136 8.429 1.00 0.00 O ATOM 0 H TYR A 66 -1.541 3.480 2.438 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.909 3.417 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.516 1.209 3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.182 0.958 4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.792 1.058 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.611 1.045 7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.344 0.314 5.929 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.173 0.330 8.772 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.252 -0.234 9.279 1.00 0.00 H new ATOM 1073 N TYR A 67 1.442 3.881 4.725 1.00 0.00 N ATOM 1074 CA TYR A 67 2.817 4.211 4.367 1.00 0.00 C ATOM 1075 C TYR A 67 3.785 3.909 5.500 1.00 0.00 C ATOM 1076 O TYR A 67 3.378 3.639 6.630 1.00 0.00 O ATOM 1077 CB TYR A 67 2.933 5.690 3.955 1.00 0.00 C ATOM 1078 CG TYR A 67 2.621 6.690 5.049 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.321 7.118 5.282 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.637 7.225 5.829 1.00 0.00 C ATOM 1081 CE1 TYR A 67 1.042 8.050 6.264 1.00 0.00 C ATOM 1082 CE2 TYR A 67 3.367 8.151 6.815 1.00 0.00 C ATOM 1083 CZ TYR A 67 2.070 8.561 7.030 1.00 0.00 C ATOM 1084 OH TYR A 67 1.803 9.494 8.009 1.00 0.00 O ATOM 0 H TYR A 67 1.153 4.201 5.649 1.00 0.00 H new ATOM 0 HA TYR A 67 3.088 3.582 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.946 5.872 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.260 5.871 3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.515 6.716 4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.657 6.911 5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.026 8.376 6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.169 8.553 7.416 1.00 0.00 H new ATOM 0 HH TYR A 67 2.638 9.748 8.455 1.00 0.00 H new ATOM 1094 N THR A 68 5.071 3.946 5.180 1.00 0.00 N ATOM 1095 CA THR A 68 6.121 3.753 6.171 1.00 0.00 C ATOM 1096 C THR A 68 7.435 4.351 5.654 1.00 0.00 C ATOM 1097 O THR A 68 7.703 4.334 4.447 1.00 0.00 O ATOM 1098 CB THR A 68 6.322 2.250 6.510 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.207 2.109 7.629 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.883 1.478 5.321 1.00 0.00 C ATOM 0 H THR A 68 5.414 4.109 4.234 1.00 0.00 H new ATOM 0 HA THR A 68 5.817 4.262 7.086 1.00 0.00 H new ATOM 0 HB THR A 68 5.345 1.836 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.722 2.310 8.457 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.011 0.431 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.193 1.552 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.847 1.899 5.036 1.00 0.00 H new ATOM 1108 N GLU A 69 8.215 4.933 6.557 1.00 0.00 N ATOM 1109 CA GLU A 69 9.540 5.437 6.205 1.00 0.00 C ATOM 1110 C GLU A 69 10.518 4.268 6.093 1.00 0.00 C ATOM 1111 O GLU A 69 10.637 3.453 7.012 1.00 0.00 O ATOM 1112 CB GLU A 69 10.032 6.453 7.246 1.00 0.00 C ATOM 1113 CG GLU A 69 11.320 7.162 6.849 1.00 0.00 C ATOM 1114 CD GLU A 69 11.909 7.992 7.971 1.00 0.00 C ATOM 1115 OE1 GLU A 69 11.453 9.133 8.184 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.851 7.507 8.635 1.00 0.00 O ATOM 0 H GLU A 69 7.956 5.068 7.534 1.00 0.00 H new ATOM 0 HA GLU A 69 9.479 5.947 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.253 7.198 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.188 5.941 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.053 6.421 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.124 7.806 5.992 1.00 0.00 H new ATOM 1123 N PHE A 70 11.221 4.198 4.971 1.00 0.00 N ATOM 1124 CA PHE A 70 12.051 3.039 4.649 1.00 0.00 C ATOM 1125 C PHE A 70 13.326 3.479 3.929 1.00 0.00 C ATOM 1126 O PHE A 70 13.405 4.603 3.429 1.00 0.00 O ATOM 1127 CB PHE A 70 11.260 2.025 3.799 1.00 0.00 C ATOM 1128 CG PHE A 70 10.903 2.484 2.407 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.605 3.807 2.141 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.859 1.573 1.365 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.277 4.213 0.859 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.529 1.970 0.083 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.239 3.293 -0.171 1.00 0.00 C ATOM 0 H PHE A 70 11.235 4.933 4.264 1.00 0.00 H new ATOM 0 HA PHE A 70 12.338 2.548 5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.844 1.108 3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.340 1.774 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.628 4.532 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.086 0.535 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.050 5.251 0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.498 1.246 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.983 3.609 -1.171 1.00 0.00 H new ATOM 1143 N THR A 71 14.326 2.609 3.897 1.00 0.00 N ATOM 1144 CA THR A 71 15.548 2.869 3.148 1.00 0.00 C ATOM 1145 C THR A 71 15.776 1.769 2.099 1.00 0.00 C ATOM 1146 O THR A 71 16.401 0.750 2.389 1.00 0.00 O ATOM 1147 CB THR A 71 16.764 2.958 4.097 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.481 3.890 5.150 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.016 3.407 3.354 1.00 0.00 C ATOM 0 H THR A 71 14.315 1.713 4.384 1.00 0.00 H new ATOM 0 HA THR A 71 15.438 3.826 2.638 1.00 0.00 H new ATOM 0 HB THR A 71 16.946 1.965 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.251 3.946 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.853 3.459 4.050 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.246 2.693 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.846 4.391 2.916 1.00 0.00 H new ATOM 1157 N PRO A 72 15.216 1.940 0.880 1.00 0.00 N ATOM 1158 CA PRO A 72 15.347 0.971 -0.227 1.00 0.00 C ATOM 1159 C PRO A 72 16.772 0.515 -0.489 1.00 0.00 C ATOM 1160 O PRO A 72 17.726 1.275 -0.312 1.00 0.00 O ATOM 1161 CB PRO A 72 14.830 1.739 -1.456 1.00 0.00 C ATOM 1162 CG PRO A 72 14.610 3.150 -1.003 1.00 0.00 C ATOM 1163 CD PRO A 72 14.388 3.087 0.480 1.00 0.00 C ATOM 0 HA PRO A 72 14.799 0.059 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.552 1.700 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.904 1.301 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.472 3.773 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.749 3.590 -1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.701 4.006 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.337 2.934 0.726 1.00 0.00 H new ATOM 1171 N THR A 73 16.897 -0.739 -0.909 1.00 0.00 N ATOM 1172 CA THR A 73 18.173 -1.329 -1.239 1.00 0.00 C ATOM 1173 C THR A 73 18.043 -2.168 -2.505 1.00 0.00 C ATOM 1174 O THR A 73 16.932 -2.392 -2.997 1.00 0.00 O ATOM 1175 CB THR A 73 18.696 -2.225 -0.094 1.00 0.00 C ATOM 1176 OG1 THR A 73 17.766 -3.286 0.164 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.902 -1.428 1.183 1.00 0.00 C ATOM 0 H THR A 73 16.106 -1.372 -1.028 1.00 0.00 H new ATOM 0 HA THR A 73 18.883 -0.517 -1.396 1.00 0.00 H new ATOM 0 HB THR A 73 19.655 -2.636 -0.409 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.106 -3.850 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.270 -2.088 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.629 -0.636 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.955 -0.988 1.494 1.00 0.00 H new ATOM 1185 N GLU A 74 19.169 -2.605 -3.044 1.00 0.00 N ATOM 1186 CA GLU A 74 19.185 -3.502 -4.199 1.00 0.00 C ATOM 1187 C GLU A 74 18.612 -4.871 -3.814 1.00 0.00 C ATOM 1188 O GLU A 74 17.726 -5.410 -4.480 1.00 0.00 O ATOM 1189 CB GLU A 74 20.637 -3.664 -4.669 1.00 0.00 C ATOM 1190 CG GLU A 74 20.821 -4.036 -6.132 1.00 0.00 C ATOM 1191 CD GLU A 74 20.222 -5.376 -6.504 1.00 0.00 C ATOM 1192 OE1 GLU A 74 19.096 -5.400 -7.038 1.00 0.00 O ATOM 1193 OE2 GLU A 74 20.890 -6.405 -6.284 1.00 0.00 O ATOM 0 H GLU A 74 20.095 -2.353 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 74 18.574 -3.083 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.166 -2.730 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.114 -4.429 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.370 -3.262 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.886 -4.049 -6.362 1.00 0.00 H new ATOM 1200 N LYS A 75 19.093 -5.383 -2.693 1.00 0.00 N ATOM 1201 CA LYS A 75 18.895 -6.773 -2.318 1.00 0.00 C ATOM 1202 C LYS A 75 17.597 -7.013 -1.552 1.00 0.00 C ATOM 1203 O LYS A 75 17.106 -8.143 -1.506 1.00 0.00 O ATOM 1204 CB LYS A 75 20.099 -7.238 -1.509 1.00 0.00 C ATOM 1205 CG LYS A 75 21.362 -7.358 -2.352 1.00 0.00 C ATOM 1206 CD LYS A 75 22.582 -6.833 -1.626 1.00 0.00 C ATOM 1207 CE LYS A 75 23.819 -6.941 -2.501 1.00 0.00 C ATOM 1208 NZ LYS A 75 25.022 -6.379 -1.836 1.00 0.00 N ATOM 0 H LYS A 75 19.633 -4.845 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 75 18.805 -7.357 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.277 -6.537 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.876 -8.204 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.521 -8.403 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.230 -6.807 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.422 -5.793 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.733 -7.396 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.997 -7.987 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.646 -6.416 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.843 -6.473 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.863 -5.374 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.204 -6.896 -0.952 1.00 0.00 H new ATOM 1222 N ASP A 76 17.032 -5.973 -0.952 1.00 0.00 N ATOM 1223 CA ASP A 76 15.724 -6.132 -0.297 1.00 0.00 C ATOM 1224 C ASP A 76 14.623 -5.585 -1.205 1.00 0.00 C ATOM 1225 O ASP A 76 14.901 -5.019 -2.263 1.00 0.00 O ATOM 1226 CB ASP A 76 15.656 -5.452 1.081 1.00 0.00 C ATOM 1227 CG ASP A 76 14.594 -6.058 1.978 1.00 0.00 C ATOM 1228 OD1 ASP A 76 14.854 -7.104 2.599 1.00 0.00 O ATOM 1229 OD2 ASP A 76 13.488 -5.484 2.072 1.00 0.00 O ATOM 0 H ASP A 76 17.435 -5.038 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 76 15.578 -7.199 -0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.627 -5.531 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.451 -4.390 0.948 1.00 0.00 H new ATOM 1234 N GLU A 77 13.382 -5.748 -0.784 1.00 0.00 N ATOM 1235 CA GLU A 77 12.233 -5.381 -1.593 1.00 0.00 C ATOM 1236 C GLU A 77 11.063 -5.146 -0.667 1.00 0.00 C ATOM 1237 O GLU A 77 10.922 -5.858 0.306 1.00 0.00 O ATOM 1238 CB GLU A 77 11.903 -6.500 -2.625 1.00 0.00 C ATOM 1239 CG GLU A 77 12.370 -7.892 -2.214 1.00 0.00 C ATOM 1240 CD GLU A 77 12.866 -8.707 -3.388 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.044 -9.385 -4.039 1.00 0.00 O ATOM 1242 OE2 GLU A 77 14.080 -8.669 -3.670 1.00 0.00 O ATOM 0 H GLU A 77 13.142 -6.138 0.127 1.00 0.00 H new ATOM 0 HA GLU A 77 12.450 -4.474 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.825 -6.524 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.361 -6.243 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.167 -7.801 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.548 -8.420 -1.731 1.00 0.00 H new ATOM 1249 N TYR A 78 10.238 -4.150 -0.926 1.00 0.00 N ATOM 1250 CA TYR A 78 9.097 -3.927 -0.072 1.00 0.00 C ATOM 1251 C TYR A 78 7.848 -4.146 -0.893 1.00 0.00 C ATOM 1252 O TYR A 78 7.840 -3.873 -2.092 1.00 0.00 O ATOM 1253 CB TYR A 78 9.097 -2.528 0.581 1.00 0.00 C ATOM 1254 CG TYR A 78 10.435 -2.064 1.152 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.545 -1.699 2.489 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.579 -1.979 0.360 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.752 -1.272 3.020 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.786 -1.554 0.884 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.866 -1.203 2.215 1.00 0.00 C ATOM 1260 OH TYR A 78 14.066 -0.796 2.752 1.00 0.00 O ATOM 0 H TYR A 78 10.335 -3.498 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 78 9.139 -4.633 0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.768 -1.801 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.359 -2.522 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.674 -1.749 3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.521 -2.251 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.818 -0.994 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.661 -1.497 0.254 1.00 0.00 H new ATOM 0 HH TYR A 78 14.713 -0.648 2.031 1.00 0.00 H new ATOM 1270 N ALA A 79 6.813 -4.669 -0.274 1.00 0.00 N ATOM 1271 CA ALA A 79 5.616 -5.061 -1.004 1.00 0.00 C ATOM 1272 C ALA A 79 4.368 -4.500 -0.347 1.00 0.00 C ATOM 1273 O ALA A 79 4.407 -4.056 0.790 1.00 0.00 O ATOM 1274 CB ALA A 79 5.529 -6.576 -1.104 1.00 0.00 C ATOM 0 H ALA A 79 6.771 -4.835 0.732 1.00 0.00 H new ATOM 0 HA ALA A 79 5.682 -4.647 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.629 -6.853 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.405 -6.957 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.491 -7.005 -0.103 1.00 0.00 H new ATOM 1280 N CYS A 80 3.279 -4.480 -1.084 1.00 0.00 N ATOM 1281 CA CYS A 80 2.002 -4.038 -0.559 1.00 0.00 C ATOM 1282 C CYS A 80 1.007 -5.198 -0.553 1.00 0.00 C ATOM 1283 O CYS A 80 0.859 -5.902 -1.551 1.00 0.00 O ATOM 1284 CB CYS A 80 1.456 -2.891 -1.405 1.00 0.00 C ATOM 1285 SG CYS A 80 1.892 -1.237 -0.793 1.00 0.00 S ATOM 0 H CYS A 80 3.252 -4.769 -2.062 1.00 0.00 H new ATOM 0 HA CYS A 80 2.145 -3.688 0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.827 -2.998 -2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.370 -2.974 -1.451 1.00 0.00 H new ATOM 1290 N ARG A 81 0.350 -5.399 0.576 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.652 -6.451 0.729 1.00 0.00 C ATOM 1292 C ARG A 81 -2.003 -5.830 1.036 1.00 0.00 C ATOM 1293 O ARG A 81 -2.068 -4.855 1.774 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.290 -7.343 1.909 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.039 -8.655 1.965 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.211 -9.126 3.403 1.00 0.00 C ATOM 1297 NE ARG A 81 -0.006 -8.983 4.221 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.308 -9.809 5.218 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -0.428 -10.891 5.447 1.00 0.00 N ATOM 1300 NH2 ARG A 81 1.349 -9.542 5.994 1.00 0.00 N ATOM 0 H ARG A 81 0.493 -4.839 1.416 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.688 -7.027 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.779 -7.552 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.477 -6.794 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.017 -8.540 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.499 -9.410 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.021 -8.562 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.513 -10.173 3.398 1.00 0.00 H new ATOM 0 HE ARG A 81 0.627 -8.210 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.237 -11.092 4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.184 -11.521 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.908 -8.705 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.591 -10.173 6.758 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.078 -6.386 0.498 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.416 -5.961 0.907 1.00 0.00 C ATOM 1316 C VAL A 82 -5.315 -7.163 1.120 1.00 0.00 C ATOM 1317 O VAL A 82 -5.190 -8.189 0.444 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.096 -4.992 -0.082 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.098 -4.019 -0.633 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.818 -5.724 -1.198 1.00 0.00 C ATOM 0 H VAL A 82 -3.057 -7.120 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.274 -5.416 1.840 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.853 -4.438 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.595 -3.343 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.662 -3.443 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.310 -4.562 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.281 -5.000 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.105 -6.331 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.588 -6.368 -0.772 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.187 -7.031 2.089 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.150 -8.086 2.413 1.00 0.00 C ATOM 1332 C ASN A 83 -8.577 -7.571 2.306 1.00 0.00 C ATOM 1333 O ASN A 83 -9.038 -6.825 3.171 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.909 -8.646 3.842 1.00 0.00 C ATOM 1335 CG ASN A 83 -7.979 -9.640 4.307 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -8.397 -10.513 3.546 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -8.468 -9.486 5.550 1.00 0.00 N ATOM 0 H ASN A 83 -6.260 -6.202 2.678 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.005 -8.889 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.935 -9.135 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.869 -7.815 4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.207 -10.103 5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.100 -8.753 6.156 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.269 -7.934 1.230 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.685 -7.662 1.130 1.00 0.00 C ATOM 1346 C HIS A 84 -11.418 -8.957 0.817 1.00 0.00 C ATOM 1347 O HIS A 84 -10.802 -9.927 0.371 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.953 -6.621 0.046 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.226 -5.864 0.253 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.325 -6.079 -0.543 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.515 -4.900 1.163 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.253 -5.242 -0.105 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.806 -4.513 0.924 1.00 0.00 N ATOM 0 H HIS A 84 -8.869 -8.414 0.424 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.045 -7.261 2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.121 -5.917 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.987 -7.117 -0.924 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.856 -4.514 1.926 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.244 -5.158 -0.525 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.329 -3.802 1.435 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.724 -8.976 1.051 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.526 -10.166 0.821 1.00 0.00 C ATOM 1363 C VAL A 85 -13.633 -10.480 -0.666 1.00 0.00 C ATOM 1364 O VAL A 85 -13.944 -11.607 -1.048 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.948 -10.014 1.403 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.892 -9.741 2.899 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.715 -8.914 0.681 1.00 0.00 C ATOM 0 H VAL A 85 -13.250 -8.176 1.402 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.019 -10.986 1.329 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.479 -10.953 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.905 -9.637 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.393 -10.570 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.338 -8.820 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.714 -8.826 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.187 -7.967 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.794 -9.160 -0.378 1.00 0.00 H new ATOM 1377 N THR A 86 -13.385 -9.480 -1.503 1.00 0.00 N ATOM 1378 CA THR A 86 -13.505 -9.643 -2.937 1.00 0.00 C ATOM 1379 C THR A 86 -12.399 -10.523 -3.480 1.00 0.00 C ATOM 1380 O THR A 86 -12.642 -11.430 -4.281 1.00 0.00 O ATOM 1381 CB THR A 86 -13.434 -8.287 -3.640 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.259 -7.587 -3.220 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.649 -7.445 -3.334 1.00 0.00 C ATOM 0 H THR A 86 -13.099 -8.547 -1.207 1.00 0.00 H new ATOM 0 HA THR A 86 -14.470 -10.112 -3.130 1.00 0.00 H new ATOM 0 HB THR A 86 -13.400 -8.467 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.463 -7.055 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.567 -6.488 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.546 -7.964 -3.673 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.712 -7.275 -2.259 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.186 -10.241 -3.038 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.032 -10.998 -3.457 1.00 0.00 C ATOM 1393 C LEU A 87 -10.104 -12.376 -2.822 1.00 0.00 C ATOM 1394 O LEU A 87 -10.145 -12.499 -1.597 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.739 -10.284 -3.033 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.494 -8.930 -3.703 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.171 -8.329 -3.241 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.515 -9.081 -5.215 1.00 0.00 C ATOM 0 H LEU A 87 -10.980 -9.486 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.025 -11.089 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.760 -10.139 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.894 -10.937 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.294 -8.250 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.018 -7.367 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.193 -8.187 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.355 -9.003 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.340 -8.111 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.734 -9.777 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.486 -9.464 -5.529 1.00 0.00 H new ATOM 1410 N SER A 88 -10.151 -13.407 -3.660 1.00 0.00 N ATOM 1411 CA SER A 88 -10.234 -14.778 -3.183 1.00 0.00 C ATOM 1412 C SER A 88 -9.088 -15.066 -2.227 1.00 0.00 C ATOM 1413 O SER A 88 -9.233 -15.839 -1.281 1.00 0.00 O ATOM 1414 CB SER A 88 -10.215 -15.751 -4.361 1.00 0.00 C ATOM 1415 OG SER A 88 -9.141 -15.469 -5.241 1.00 0.00 O ATOM 0 H SER A 88 -10.133 -13.315 -4.676 1.00 0.00 H new ATOM 0 HA SER A 88 -11.174 -14.911 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.127 -16.772 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.159 -15.689 -4.903 1.00 0.00 H new ATOM 0 HG SER A 88 -9.151 -16.107 -5.985 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.959 -14.411 -2.471 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.804 -14.466 -1.606 1.00 0.00 C ATOM 1423 C GLN A 89 -6.258 -13.045 -1.521 1.00 0.00 C ATOM 1424 O GLN A 89 -6.274 -12.339 -2.530 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.727 -15.379 -2.208 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.260 -16.697 -2.748 1.00 0.00 C ATOM 1427 CD GLN A 89 -6.770 -17.621 -1.660 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -6.291 -17.592 -0.525 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -7.745 -18.452 -1.999 1.00 0.00 N ATOM 0 H GLN A 89 -7.826 -13.819 -3.291 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.076 -14.859 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.223 -14.846 -3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.976 -15.588 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.067 -16.495 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.470 -17.201 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.114 -18.444 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.126 -19.099 -1.309 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.816 -12.577 -0.341 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.160 -11.266 -0.215 1.00 0.00 C ATOM 1440 C PRO A 90 -4.124 -11.026 -1.312 1.00 0.00 C ATOM 1441 O PRO A 90 -3.491 -11.966 -1.805 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.486 -11.354 1.147 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.397 -12.226 1.942 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.951 -13.250 0.968 1.00 0.00 C ATOM 0 HA PRO A 90 -5.864 -10.440 -0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.487 -11.783 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.376 -10.370 1.603 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.860 -12.713 2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.200 -11.643 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.388 -14.183 1.001 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.990 -13.496 1.189 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.927 -9.769 -1.665 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.123 -9.434 -2.822 1.00 0.00 C ATOM 1454 C LYS A 91 -1.808 -8.818 -2.395 1.00 0.00 C ATOM 1455 O LYS A 91 -1.781 -7.922 -1.555 1.00 0.00 O ATOM 1456 CB LYS A 91 -3.857 -8.459 -3.738 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.101 -8.186 -5.022 1.00 0.00 C ATOM 1458 CD LYS A 91 -2.966 -9.449 -5.844 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.199 -9.721 -6.684 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.064 -10.984 -7.450 1.00 0.00 N ATOM 0 H LYS A 91 -4.312 -8.966 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.933 -10.358 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.841 -8.862 -3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.018 -7.520 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.622 -7.424 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.112 -7.790 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.096 -9.365 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.787 -10.295 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.076 -9.777 -6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.362 -8.892 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.923 -11.141 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.241 -10.920 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.933 -11.778 -6.791 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.723 -9.313 -2.963 1.00 0.00 N ATOM 1475 CA ILE A 92 0.590 -8.735 -2.734 1.00 0.00 C ATOM 1476 C ILE A 92 1.169 -8.220 -4.039 1.00 0.00 C ATOM 1477 O ILE A 92 1.137 -8.907 -5.058 1.00 0.00 O ATOM 1478 CB ILE A 92 1.606 -9.739 -2.133 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.200 -10.191 -0.723 1.00 0.00 C ATOM 1480 CG2 ILE A 92 3.006 -9.131 -2.109 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.144 -11.273 -0.693 1.00 0.00 C ATOM 0 H ILE A 92 -0.725 -10.118 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 92 0.438 -7.929 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 92 1.609 -10.621 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.086 -10.551 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.833 -9.327 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.707 -9.849 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.312 -8.883 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.000 -8.227 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.083 -11.532 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.760 -10.913 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.513 -12.156 -1.215 1.00 0.00 H new ATOM 1493 N VAL A 93 1.681 -7.009 -3.997 1.00 0.00 N ATOM 1494 CA VAL A 93 2.415 -6.443 -5.110 1.00 0.00 C ATOM 1495 C VAL A 93 3.716 -5.856 -4.594 1.00 0.00 C ATOM 1496 O VAL A 93 3.725 -5.121 -3.611 1.00 0.00 O ATOM 1497 CB VAL A 93 1.604 -5.355 -5.853 1.00 0.00 C ATOM 1498 CG1 VAL A 93 2.416 -4.743 -6.986 1.00 0.00 C ATOM 1499 CG2 VAL A 93 0.302 -5.931 -6.392 1.00 0.00 C ATOM 0 H VAL A 93 1.601 -6.389 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 93 2.613 -7.240 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 93 1.370 -4.567 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.821 -3.982 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.320 -4.288 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.690 -5.521 -7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.254 -5.150 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.523 -6.742 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.296 -6.314 -5.565 1.00 0.00 H new ATOM 1509 N LYS A 94 4.806 -6.186 -5.255 1.00 0.00 N ATOM 1510 CA LYS A 94 6.101 -5.694 -4.846 1.00 0.00 C ATOM 1511 C LYS A 94 6.369 -4.329 -5.461 1.00 0.00 C ATOM 1512 O LYS A 94 6.111 -4.104 -6.647 1.00 0.00 O ATOM 1513 CB LYS A 94 7.210 -6.668 -5.201 1.00 0.00 C ATOM 1514 CG LYS A 94 7.329 -7.839 -4.238 1.00 0.00 C ATOM 1515 CD LYS A 94 8.644 -8.574 -4.452 1.00 0.00 C ATOM 1516 CE LYS A 94 9.045 -9.422 -3.248 1.00 0.00 C ATOM 1517 NZ LYS A 94 8.141 -10.584 -3.038 1.00 0.00 N ATOM 0 H LYS A 94 4.819 -6.792 -6.076 1.00 0.00 H new ATOM 0 HA LYS A 94 6.089 -5.594 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.036 -7.052 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.158 -6.131 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.269 -7.480 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.494 -8.525 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.560 -9.214 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.431 -7.849 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.065 -9.781 -3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.043 -8.799 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.362 -11.036 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.153 -10.259 -3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.274 -11.271 -3.807 1.00 0.00 H new ATOM 1531 N TRP A 95 6.879 -3.426 -4.634 1.00 0.00 N ATOM 1532 CA TRP A 95 7.101 -2.042 -5.021 1.00 0.00 C ATOM 1533 C TRP A 95 8.192 -1.937 -6.075 1.00 0.00 C ATOM 1534 O TRP A 95 9.289 -2.476 -5.913 1.00 0.00 O ATOM 1535 CB TRP A 95 7.465 -1.196 -3.785 1.00 0.00 C ATOM 1536 CG TRP A 95 7.892 0.197 -4.114 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.099 1.226 -4.528 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.225 0.710 -4.053 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.860 2.349 -4.732 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.167 2.057 -4.445 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.462 0.158 -3.705 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.295 2.864 -4.498 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.586 0.959 -3.758 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.494 2.304 -4.152 1.00 0.00 C ATOM 0 H TRP A 95 7.151 -3.635 -3.673 1.00 0.00 H new ATOM 0 HA TRP A 95 6.177 -1.657 -5.453 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.604 -1.154 -3.118 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.267 -1.693 -3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.031 1.166 -4.674 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.510 3.254 -5.046 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.537 -0.875 -3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.228 3.898 -4.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.548 0.546 -3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.388 2.909 -4.182 1.00 0.00 H new