USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 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 88 SER OG : rot 180:sc= -0.0431 USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -0.0874 F(o=-1.8,f=-0.13) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -2.37! C(o=-2.9!,f=-5.6!) USER MOD Set 2.2: A 86 THR OG1 : rot 110:sc= -0.487 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -142:sc= 1.16 (180deg=0.466) USER MOD Set 3.2: A 78 TYR OH : rot 144:sc= 0.0376 USER MOD Set 4.1: A 10 TYR OH : rot -128:sc= 0.57 USER MOD Set 4.2: A 24 ASN : amide:sc= -2.04 K(o=-1.5,f=-3!) USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.217 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 11 SER OG : rot 180:sc= 0.106 USER MOD Single : A 13 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0.01) USER MOD Single : A 17 ASN : amide:sc= -3.8! C(o=-3.8!,f=-8!) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 1.28 (180deg=-0.364) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.02 F(o=-2.2,f=-1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 78:sc= 1.07 USER MOD Single : A 31 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=-0.0091) USER MOD Single : A 33 SER OG : rot 51:sc= 1.06 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.0816 (180deg=-0.526) USER MOD Single : A 51 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.0045) 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 58:sc= 1.24 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -26:sc= 0.637 USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= 1.24 (180deg=0.703) USER MOD Single : A 83 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0166 (180deg=-0.221) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= -0.725 (180deg=-1.23!) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.575 -4.606 -4.818 1.00 0.00 N ATOM 37 CA ARG A 3 -16.508 -4.463 -5.814 1.00 0.00 C ATOM 38 C ARG A 3 -15.120 -4.636 -5.187 1.00 0.00 C ATOM 39 O ARG A 3 -14.897 -4.333 -4.015 1.00 0.00 O ATOM 40 CB ARG A 3 -16.620 -3.072 -6.468 1.00 0.00 C ATOM 41 CG ARG A 3 -15.311 -2.488 -7.036 1.00 0.00 C ATOM 42 CD ARG A 3 -15.100 -2.808 -8.515 1.00 0.00 C ATOM 43 NE ARG A 3 -15.408 -4.194 -8.865 1.00 0.00 N ATOM 44 CZ ARG A 3 -15.561 -4.615 -10.121 1.00 0.00 C ATOM 45 NH1 ARG A 3 -15.407 -3.768 -11.135 1.00 0.00 N ATOM 46 NH2 ARG A 3 -15.866 -5.883 -10.369 1.00 0.00 N ATOM 0 HA ARG A 3 -16.627 -5.245 -6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.350 -3.129 -7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.016 -2.375 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.315 -1.406 -6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.469 -2.877 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.723 -2.144 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.064 -2.597 -8.779 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.511 -4.873 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.171 -2.792 -10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.525 -4.094 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.984 -6.539 -9.597 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.982 -6.201 -11.331 1.00 0.00 H new ATOM 60 N THR A 4 -14.199 -5.123 -6.010 1.00 0.00 N ATOM 61 CA THR A 4 -12.892 -5.568 -5.562 1.00 0.00 C ATOM 62 C THR A 4 -11.949 -4.380 -5.372 1.00 0.00 C ATOM 63 O THR A 4 -11.855 -3.516 -6.247 1.00 0.00 O ATOM 64 CB THR A 4 -12.278 -6.539 -6.603 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.082 -5.857 -7.849 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.183 -7.733 -6.851 1.00 0.00 C ATOM 0 H THR A 4 -14.343 -5.220 -7.015 1.00 0.00 H new ATOM 0 HA THR A 4 -13.018 -6.078 -4.607 1.00 0.00 H new ATOM 0 HB THR A 4 -11.327 -6.890 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.986 -4.896 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.722 -8.393 -7.586 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.332 -8.277 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.146 -7.388 -7.227 1.00 0.00 H new ATOM 74 N PRO A 5 -11.253 -4.296 -4.227 1.00 0.00 N ATOM 75 CA PRO A 5 -10.221 -3.290 -4.028 1.00 0.00 C ATOM 76 C PRO A 5 -8.980 -3.620 -4.851 1.00 0.00 C ATOM 77 O PRO A 5 -8.488 -4.751 -4.824 1.00 0.00 O ATOM 78 CB PRO A 5 -9.907 -3.347 -2.524 1.00 0.00 C ATOM 79 CG PRO A 5 -10.903 -4.290 -1.921 1.00 0.00 C ATOM 80 CD PRO A 5 -11.419 -5.151 -3.046 1.00 0.00 C ATOM 0 HA PRO A 5 -10.545 -2.299 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.889 -3.696 -2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.986 -2.358 -2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.438 -4.901 -1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.718 -3.742 -1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.852 -6.077 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.462 -5.429 -2.894 1.00 0.00 H new ATOM 88 N LYS A 6 -8.478 -2.636 -5.579 1.00 0.00 N ATOM 89 CA LYS A 6 -7.341 -2.851 -6.456 1.00 0.00 C ATOM 90 C LYS A 6 -6.100 -2.210 -5.852 1.00 0.00 C ATOM 91 O LYS A 6 -6.196 -1.237 -5.102 1.00 0.00 O ATOM 92 CB LYS A 6 -7.629 -2.278 -7.850 1.00 0.00 C ATOM 93 CG LYS A 6 -6.477 -2.432 -8.834 1.00 0.00 C ATOM 94 CD LYS A 6 -6.804 -1.816 -10.184 1.00 0.00 C ATOM 95 CE LYS A 6 -7.844 -2.629 -10.940 1.00 0.00 C ATOM 96 NZ LYS A 6 -8.191 -2.001 -12.241 1.00 0.00 N ATOM 0 H LYS A 6 -8.840 -1.682 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.165 -3.922 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.511 -2.771 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.872 -1.220 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.584 -1.959 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.247 -3.490 -8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.171 -0.800 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.895 -1.745 -10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.465 -3.636 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.743 -2.726 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.902 -2.582 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.576 -1.049 -12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.338 -1.931 -12.831 1.00 0.00 H new ATOM 110 N ILE A 7 -4.942 -2.762 -6.176 1.00 0.00 N ATOM 111 CA ILE A 7 -3.697 -2.344 -5.556 1.00 0.00 C ATOM 112 C ILE A 7 -2.982 -1.305 -6.398 1.00 0.00 C ATOM 113 O ILE A 7 -2.782 -1.493 -7.601 1.00 0.00 O ATOM 114 CB ILE A 7 -2.729 -3.528 -5.358 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.494 -4.804 -5.018 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.717 -3.208 -4.265 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.402 -4.659 -3.827 1.00 0.00 C ATOM 0 H ILE A 7 -4.839 -3.504 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.971 -1.924 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.194 -3.691 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.086 -5.104 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.781 -5.606 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.041 -4.053 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.144 -2.324 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.241 -3.017 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.914 -5.604 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.813 -4.389 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.138 -3.880 -4.024 1.00 0.00 H new ATOM 129 N GLN A 8 -2.604 -0.213 -5.760 1.00 0.00 N ATOM 130 CA GLN A 8 -1.721 0.767 -6.385 1.00 0.00 C ATOM 131 C GLN A 8 -0.671 1.192 -5.343 1.00 0.00 C ATOM 132 O GLN A 8 -1.007 1.752 -4.297 1.00 0.00 O ATOM 133 CB GLN A 8 -2.515 2.014 -6.900 1.00 0.00 C ATOM 134 CG GLN A 8 -4.023 1.815 -6.864 1.00 0.00 C ATOM 135 CD GLN A 8 -4.792 3.099 -7.126 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.140 3.833 -6.201 1.00 0.00 O ATOM 137 NE2 GLN A 8 -5.053 3.388 -8.392 1.00 0.00 N ATOM 0 H GLN A 8 -2.892 0.022 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.240 0.318 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.254 2.880 -6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.208 2.237 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.305 1.070 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.309 1.417 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.749 2.756 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.558 4.243 -8.626 1.00 0.00 H new ATOM 146 N VAL A 9 0.590 0.906 -5.636 1.00 0.00 N ATOM 147 CA VAL A 9 1.692 1.214 -4.728 1.00 0.00 C ATOM 148 C VAL A 9 2.849 1.859 -5.485 1.00 0.00 C ATOM 149 O VAL A 9 3.255 1.388 -6.546 1.00 0.00 O ATOM 150 CB VAL A 9 2.173 -0.047 -3.940 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.227 -1.281 -4.826 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.534 0.185 -3.293 1.00 0.00 C ATOM 0 H VAL A 9 0.880 0.456 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 9 1.319 1.927 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 9 1.438 -0.222 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.566 -2.135 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.234 -1.486 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.920 -1.108 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.838 -0.712 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.270 0.411 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.468 1.022 -2.598 1.00 0.00 H new ATOM 162 N TYR A 10 3.360 2.948 -4.931 1.00 0.00 N ATOM 163 CA TYR A 10 4.405 3.730 -5.574 1.00 0.00 C ATOM 164 C TYR A 10 5.179 4.531 -4.533 1.00 0.00 C ATOM 165 O TYR A 10 4.774 4.614 -3.372 1.00 0.00 O ATOM 166 CB TYR A 10 3.805 4.672 -6.635 1.00 0.00 C ATOM 167 CG TYR A 10 2.851 5.720 -6.094 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.321 6.928 -5.590 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.478 5.507 -6.100 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.455 7.887 -5.106 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.603 6.463 -5.617 1.00 0.00 C ATOM 172 CZ TYR A 10 1.098 7.651 -5.120 1.00 0.00 C ATOM 173 OH TYR A 10 0.231 8.609 -4.642 1.00 0.00 O ATOM 0 H TYR A 10 3.063 3.314 -4.026 1.00 0.00 H new ATOM 0 HA TYR A 10 5.091 3.045 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.620 5.177 -7.154 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.279 4.071 -7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.384 7.119 -5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.087 4.578 -6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.839 8.819 -4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.461 6.281 -5.629 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.374 8.205 -3.986 1.00 0.00 H new ATOM 183 N SER A 11 6.297 5.099 -4.950 1.00 0.00 N ATOM 184 CA SER A 11 7.109 5.946 -4.091 1.00 0.00 C ATOM 185 C SER A 11 6.575 7.381 -4.100 1.00 0.00 C ATOM 186 O SER A 11 6.312 7.940 -5.163 1.00 0.00 O ATOM 187 CB SER A 11 8.556 5.907 -4.608 1.00 0.00 C ATOM 188 OG SER A 11 8.572 5.623 -5.999 1.00 0.00 O ATOM 0 H SER A 11 6.668 4.987 -5.893 1.00 0.00 H new ATOM 0 HA SER A 11 7.071 5.583 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.043 6.864 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.123 5.148 -4.068 1.00 0.00 H new ATOM 0 HG SER A 11 9.498 5.602 -6.318 1.00 0.00 H new ATOM 194 N ARG A 12 6.413 7.965 -2.907 1.00 0.00 N ATOM 195 CA ARG A 12 5.885 9.329 -2.777 1.00 0.00 C ATOM 196 C ARG A 12 6.803 10.321 -3.492 1.00 0.00 C ATOM 197 O ARG A 12 6.349 11.157 -4.273 1.00 0.00 O ATOM 198 CB ARG A 12 5.782 9.713 -1.293 1.00 0.00 C ATOM 199 CG ARG A 12 4.607 10.633 -0.930 1.00 0.00 C ATOM 200 CD ARG A 12 4.369 11.739 -1.948 1.00 0.00 C ATOM 201 NE ARG A 12 3.005 11.706 -2.468 1.00 0.00 N ATOM 202 CZ ARG A 12 2.689 11.909 -3.746 1.00 0.00 C ATOM 203 NH1 ARG A 12 3.641 12.123 -4.646 1.00 0.00 N ATOM 204 NH2 ARG A 12 1.418 11.882 -4.124 1.00 0.00 N ATOM 0 H ARG A 12 6.639 7.516 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 12 4.895 9.362 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.702 8.800 -0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.710 10.203 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.701 10.034 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.794 11.081 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.559 12.707 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.076 11.635 -2.771 1.00 0.00 H new ATOM 0 HE ARG A 12 2.247 11.516 -1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.620 12.133 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.393 12.278 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.685 11.706 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.173 12.037 -5.102 1.00 0.00 H new ATOM 218 N HIS A 13 8.091 10.212 -3.210 1.00 0.00 N ATOM 219 CA HIS A 13 9.099 11.084 -3.804 1.00 0.00 C ATOM 220 C HIS A 13 10.253 10.231 -4.350 1.00 0.00 C ATOM 221 O HIS A 13 10.213 9.010 -4.176 1.00 0.00 O ATOM 222 CB HIS A 13 9.596 12.110 -2.772 1.00 0.00 C ATOM 223 CG HIS A 13 8.704 13.313 -2.629 1.00 0.00 C ATOM 224 ND1 HIS A 13 8.886 14.223 -1.617 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.656 13.714 -3.397 1.00 0.00 C ATOM 226 CE1 HIS A 13 7.958 15.149 -1.790 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.190 14.882 -2.855 1.00 0.00 N ATOM 0 H HIS A 13 8.470 9.519 -2.565 1.00 0.00 H new ATOM 0 HA HIS A 13 8.659 11.641 -4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.687 11.620 -1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.594 12.442 -3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.266 13.208 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.835 16.012 -1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.408 15.441 -3.196 1.00 0.00 H new ATOM 235 N PRO A 14 11.289 10.822 -5.017 1.00 0.00 N ATOM 236 CA PRO A 14 12.392 10.047 -5.613 1.00 0.00 C ATOM 237 C PRO A 14 12.946 8.978 -4.672 1.00 0.00 C ATOM 238 O PRO A 14 13.381 9.273 -3.556 1.00 0.00 O ATOM 239 CB PRO A 14 13.477 11.093 -5.927 1.00 0.00 C ATOM 240 CG PRO A 14 12.974 12.403 -5.373 1.00 0.00 C ATOM 241 CD PRO A 14 11.475 12.266 -5.257 1.00 0.00 C ATOM 0 HA PRO A 14 12.048 9.502 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.427 10.817 -5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.649 11.165 -7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.422 12.612 -4.401 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.239 13.231 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.078 12.865 -4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.969 12.592 -6.166 1.00 0.00 H new ATOM 249 N ALA A 15 12.919 7.739 -5.138 1.00 0.00 N ATOM 250 CA ALA A 15 13.384 6.611 -4.359 1.00 0.00 C ATOM 251 C ALA A 15 14.874 6.414 -4.570 1.00 0.00 C ATOM 252 O ALA A 15 15.338 6.323 -5.704 1.00 0.00 O ATOM 253 CB ALA A 15 12.626 5.356 -4.756 1.00 0.00 C ATOM 0 H ALA A 15 12.574 7.491 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 15 13.202 6.810 -3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.983 4.513 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.561 5.501 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.789 5.152 -5.814 1.00 0.00 H new ATOM 259 N GLU A 16 15.624 6.369 -3.491 1.00 0.00 N ATOM 260 CA GLU A 16 17.055 6.192 -3.576 1.00 0.00 C ATOM 261 C GLU A 16 17.516 5.072 -2.641 1.00 0.00 C ATOM 262 O GLU A 16 17.132 5.026 -1.475 1.00 0.00 O ATOM 263 CB GLU A 16 17.736 7.513 -3.231 1.00 0.00 C ATOM 264 CG GLU A 16 19.241 7.418 -3.143 1.00 0.00 C ATOM 265 CD GLU A 16 19.919 8.768 -3.116 1.00 0.00 C ATOM 266 OE1 GLU A 16 21.135 8.822 -3.398 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.249 9.779 -2.822 1.00 0.00 O ATOM 0 H GLU A 16 15.263 6.453 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 16 17.330 5.902 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.472 8.255 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.348 7.873 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.512 6.864 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.614 6.848 -3.994 1.00 0.00 H new ATOM 274 N ASN A 17 18.323 4.162 -3.172 1.00 0.00 N ATOM 275 CA ASN A 17 18.854 3.041 -2.399 1.00 0.00 C ATOM 276 C ASN A 17 19.980 3.498 -1.473 1.00 0.00 C ATOM 277 O ASN A 17 20.943 4.141 -1.898 1.00 0.00 O ATOM 278 CB ASN A 17 19.300 1.914 -3.351 1.00 0.00 C ATOM 279 CG ASN A 17 20.367 0.985 -2.788 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.438 0.726 -1.588 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.208 0.464 -3.667 1.00 0.00 N ATOM 0 H ASN A 17 18.628 4.178 -4.145 1.00 0.00 H new ATOM 0 HA ASN A 17 18.067 2.644 -1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.427 1.320 -3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.677 2.362 -4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.942 -0.172 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.122 0.699 -4.656 1.00 0.00 H new ATOM 288 N GLY A 18 19.826 3.159 -0.200 1.00 0.00 N ATOM 289 CA GLY A 18 20.735 3.621 0.828 1.00 0.00 C ATOM 290 C GLY A 18 20.331 4.995 1.307 1.00 0.00 C ATOM 291 O GLY A 18 21.127 5.738 1.881 1.00 0.00 O ATOM 0 H GLY A 18 19.073 2.562 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.734 2.922 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.752 3.649 0.437 1.00 0.00 H new ATOM 295 N LYS A 19 19.073 5.321 1.058 1.00 0.00 N ATOM 296 CA LYS A 19 18.538 6.638 1.338 1.00 0.00 C ATOM 297 C LYS A 19 17.138 6.499 1.905 1.00 0.00 C ATOM 298 O LYS A 19 16.414 5.560 1.574 1.00 0.00 O ATOM 299 CB LYS A 19 18.481 7.435 0.039 1.00 0.00 C ATOM 300 CG LYS A 19 18.523 8.947 0.201 1.00 0.00 C ATOM 301 CD LYS A 19 19.940 9.447 0.454 1.00 0.00 C ATOM 302 CE LYS A 19 20.003 10.969 0.536 1.00 0.00 C ATOM 303 NZ LYS A 19 19.744 11.603 -0.784 1.00 0.00 N ATOM 0 H LYS A 19 18.394 4.675 0.655 1.00 0.00 H new ATOM 0 HA LYS A 19 19.173 7.152 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.316 7.130 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.567 7.168 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.125 9.420 -0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.879 9.242 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.315 9.018 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.595 9.100 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.270 11.325 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.985 11.273 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.570 12.169 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.572 10.865 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.909 12.219 -0.715 1.00 0.00 H new ATOM 317 N SER A 20 16.773 7.416 2.775 1.00 0.00 N ATOM 318 CA SER A 20 15.438 7.452 3.315 1.00 0.00 C ATOM 319 C SER A 20 14.444 7.863 2.239 1.00 0.00 C ATOM 320 O SER A 20 14.704 8.780 1.459 1.00 0.00 O ATOM 321 CB SER A 20 15.405 8.441 4.466 1.00 0.00 C ATOM 322 OG SER A 20 15.715 9.747 4.012 1.00 0.00 O ATOM 0 H SER A 20 17.390 8.150 3.123 1.00 0.00 H new ATOM 0 HA SER A 20 15.160 6.461 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.418 8.436 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.118 8.138 5.233 1.00 0.00 H new ATOM 0 HG SER A 20 15.687 10.371 4.767 1.00 0.00 H new ATOM 328 N ASN A 21 13.314 7.190 2.216 1.00 0.00 N ATOM 329 CA ASN A 21 12.278 7.444 1.225 1.00 0.00 C ATOM 330 C ASN A 21 10.915 7.341 1.905 1.00 0.00 C ATOM 331 O ASN A 21 10.838 6.987 3.085 1.00 0.00 O ATOM 332 CB ASN A 21 12.378 6.407 0.087 1.00 0.00 C ATOM 333 CG ASN A 21 11.625 6.811 -1.177 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.551 8.105 -1.476 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.112 5.954 -1.892 1.00 0.00 N flip ATOM 0 H ASN A 21 13.083 6.451 2.880 1.00 0.00 H new ATOM 0 HA ASN A 21 12.405 8.440 0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.428 6.252 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.989 5.452 0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.184 4.969 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.614 6.228 -2.739 1.00 0.00 H new ATOM 342 N PHE A 22 9.849 7.637 1.171 1.00 0.00 N ATOM 343 CA PHE A 22 8.496 7.535 1.704 1.00 0.00 C ATOM 344 C PHE A 22 7.648 6.656 0.787 1.00 0.00 C ATOM 345 O PHE A 22 7.561 6.907 -0.420 1.00 0.00 O ATOM 346 CB PHE A 22 7.853 8.919 1.834 1.00 0.00 C ATOM 347 CG PHE A 22 8.400 9.777 2.941 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.613 10.080 4.039 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.688 10.288 2.883 1.00 0.00 C ATOM 350 CE1 PHE A 22 8.096 10.874 5.058 1.00 0.00 C ATOM 351 CE2 PHE A 22 10.179 11.084 3.902 1.00 0.00 C ATOM 352 CZ PHE A 22 9.381 11.375 4.992 1.00 0.00 C ATOM 0 H PHE A 22 9.896 7.951 0.202 1.00 0.00 H new ATOM 0 HA PHE A 22 8.549 7.087 2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.976 9.450 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.782 8.791 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.608 9.690 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.314 10.062 2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.469 11.104 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.183 11.477 3.846 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.762 11.993 5.791 1.00 0.00 H new ATOM 362 N LEU A 23 7.030 5.629 1.356 1.00 0.00 N ATOM 363 CA LEU A 23 6.219 4.695 0.581 1.00 0.00 C ATOM 364 C LEU A 23 4.779 5.141 0.605 1.00 0.00 C ATOM 365 O LEU A 23 4.327 5.733 1.580 1.00 0.00 O ATOM 366 CB LEU A 23 6.295 3.298 1.185 1.00 0.00 C ATOM 367 CG LEU A 23 6.642 2.136 0.234 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.532 0.806 0.972 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.753 2.109 -1.001 1.00 0.00 C ATOM 0 H LEU A 23 7.074 5.420 2.353 1.00 0.00 H new ATOM 0 HA LEU A 23 6.598 4.674 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.038 3.315 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.334 3.078 1.650 1.00 0.00 H new ATOM 0 HG LEU A 23 7.667 2.294 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.779 -0.009 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.224 0.799 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.514 0.677 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.039 1.272 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.712 1.995 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.870 3.041 -1.554 1.00 0.00 H new ATOM 381 N ASN A 24 4.063 4.824 -0.448 1.00 0.00 N ATOM 382 CA ASN A 24 2.639 5.130 -0.529 1.00 0.00 C ATOM 383 C ASN A 24 1.875 3.922 -1.049 1.00 0.00 C ATOM 384 O ASN A 24 2.173 3.406 -2.130 1.00 0.00 O ATOM 385 CB ASN A 24 2.364 6.343 -1.438 1.00 0.00 C ATOM 386 CG ASN A 24 2.577 7.682 -0.757 1.00 0.00 C ATOM 387 OD1 ASN A 24 3.417 7.836 0.119 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.803 8.673 -1.170 1.00 0.00 N ATOM 0 H ASN A 24 4.439 4.351 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 24 2.300 5.379 0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.012 6.284 -2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.337 6.289 -1.799 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.897 9.600 -0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.113 8.510 -1.903 1.00 0.00 H new ATOM 395 N CYS A 25 0.893 3.471 -0.283 1.00 0.00 N ATOM 396 CA CYS A 25 0.055 2.359 -0.688 1.00 0.00 C ATOM 397 C CYS A 25 -1.397 2.816 -0.640 1.00 0.00 C ATOM 398 O CYS A 25 -1.893 3.236 0.409 1.00 0.00 O ATOM 399 CB CYS A 25 0.291 1.158 0.230 1.00 0.00 C ATOM 400 SG CYS A 25 -0.088 -0.454 -0.530 1.00 0.00 S ATOM 0 H CYS A 25 0.658 3.863 0.629 1.00 0.00 H new ATOM 0 HA CYS A 25 0.301 2.045 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.333 1.159 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.318 1.276 1.126 1.00 0.00 H new ATOM 405 N TYR A 26 -2.063 2.763 -1.781 1.00 0.00 N ATOM 406 CA TYR A 26 -3.414 3.280 -1.911 1.00 0.00 C ATOM 407 C TYR A 26 -4.349 2.159 -2.327 1.00 0.00 C ATOM 408 O TYR A 26 -4.211 1.598 -3.415 1.00 0.00 O ATOM 409 CB TYR A 26 -3.472 4.403 -2.956 1.00 0.00 C ATOM 410 CG TYR A 26 -3.183 5.813 -2.449 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.211 6.617 -1.955 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.906 6.366 -2.523 1.00 0.00 C ATOM 413 CE1 TYR A 26 -3.972 7.918 -1.553 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.662 7.664 -2.113 1.00 0.00 C ATOM 415 CZ TYR A 26 -2.698 8.435 -1.632 1.00 0.00 C ATOM 416 OH TYR A 26 -2.458 9.734 -1.233 1.00 0.00 O ATOM 0 H TYR A 26 -1.684 2.362 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.722 3.684 -0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.759 4.171 -3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.464 4.399 -3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.211 6.216 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.092 5.770 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.782 8.527 -1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.664 8.072 -2.170 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.508 9.942 -1.352 1.00 0.00 H new ATOM 426 N VAL A 27 -5.279 1.817 -1.456 1.00 0.00 N ATOM 427 CA VAL A 27 -6.255 0.789 -1.767 1.00 0.00 C ATOM 428 C VAL A 27 -7.660 1.383 -1.694 1.00 0.00 C ATOM 429 O VAL A 27 -8.108 1.799 -0.626 1.00 0.00 O ATOM 430 CB VAL A 27 -6.151 -0.417 -0.807 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.822 -1.630 -1.419 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.703 -0.735 -0.460 1.00 0.00 C ATOM 0 H VAL A 27 -5.380 2.234 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.050 0.428 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.663 -0.152 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.743 -2.474 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.873 -1.410 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.333 -1.880 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.670 -1.589 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.154 -0.973 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.246 0.129 0.023 1.00 0.00 H new ATOM 442 N SER A 28 -8.342 1.452 -2.832 1.00 0.00 N ATOM 443 CA SER A 28 -9.663 2.064 -2.890 1.00 0.00 C ATOM 444 C SER A 28 -10.503 1.440 -4.010 1.00 0.00 C ATOM 445 O SER A 28 -10.056 0.511 -4.689 1.00 0.00 O ATOM 446 CB SER A 28 -9.532 3.579 -3.090 1.00 0.00 C ATOM 447 OG SER A 28 -10.778 4.238 -2.913 1.00 0.00 O ATOM 0 H SER A 28 -8.003 1.093 -3.724 1.00 0.00 H new ATOM 0 HA SER A 28 -10.174 1.879 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.804 3.979 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.150 3.783 -4.090 1.00 0.00 H new ATOM 0 HG SER A 28 -10.974 4.316 -1.956 1.00 0.00 H new ATOM 453 N GLY A 29 -11.726 1.939 -4.177 1.00 0.00 N ATOM 454 CA GLY A 29 -12.615 1.429 -5.204 1.00 0.00 C ATOM 455 C GLY A 29 -13.556 0.376 -4.664 1.00 0.00 C ATOM 456 O GLY A 29 -14.216 -0.319 -5.427 1.00 0.00 O ATOM 0 H GLY A 29 -12.118 2.694 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.194 2.252 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.025 1.006 -6.017 1.00 0.00 H new ATOM 460 N PHE A 30 -13.625 0.272 -3.347 1.00 0.00 N ATOM 461 CA PHE A 30 -14.321 -0.836 -2.705 1.00 0.00 C ATOM 462 C PHE A 30 -15.373 -0.358 -1.704 1.00 0.00 C ATOM 463 O PHE A 30 -15.574 0.843 -1.512 1.00 0.00 O ATOM 464 CB PHE A 30 -13.296 -1.701 -1.966 1.00 0.00 C ATOM 465 CG PHE A 30 -12.640 -0.967 -0.822 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.515 -0.189 -1.040 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.161 -1.035 0.461 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.924 0.504 -0.005 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.569 -0.345 1.500 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.450 0.425 1.267 1.00 0.00 C ATOM 0 H PHE A 30 -13.208 0.941 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.833 -1.403 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.788 -2.596 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.531 -2.032 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.096 -0.124 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.039 -1.634 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.049 1.109 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.983 -0.409 2.496 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.986 0.965 2.079 1.00 0.00 H new ATOM 480 N HIS A 31 -15.999 -1.335 -1.049 1.00 0.00 N ATOM 481 CA HIS A 31 -16.943 -1.101 0.052 1.00 0.00 C ATOM 482 C HIS A 31 -16.786 -2.249 1.054 1.00 0.00 C ATOM 483 O HIS A 31 -16.072 -3.206 0.758 1.00 0.00 O ATOM 484 CB HIS A 31 -18.417 -0.990 -0.428 1.00 0.00 C ATOM 485 CG HIS A 31 -18.697 0.212 -1.277 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.031 0.097 -2.605 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.703 1.521 -0.931 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.231 1.331 -3.034 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.043 2.226 -2.055 1.00 0.00 N ATOM 0 H HIS A 31 -15.866 -2.322 -1.267 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.710 -0.142 0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.672 -1.887 -0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.071 -0.965 0.444 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.482 1.930 0.044 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.511 1.586 -4.046 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.135 3.239 -2.132 1.00 0.00 H new ATOM 497 N PRO A 32 -17.405 -2.201 2.257 1.00 0.00 N ATOM 498 CA PRO A 32 -18.225 -1.075 2.738 1.00 0.00 C ATOM 499 C PRO A 32 -17.451 0.235 2.874 1.00 0.00 C ATOM 500 O PRO A 32 -17.743 1.198 2.170 1.00 0.00 O ATOM 501 CB PRO A 32 -18.718 -1.537 4.113 1.00 0.00 C ATOM 502 CG PRO A 32 -18.574 -3.018 4.100 1.00 0.00 C ATOM 503 CD PRO A 32 -17.384 -3.303 3.232 1.00 0.00 C ATOM 0 HA PRO A 32 -19.022 -0.851 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.128 -1.091 4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.754 -1.243 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.425 -3.406 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.471 -3.495 3.704 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.459 -3.313 3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.466 -4.274 2.744 1.00 0.00 H new ATOM 511 N SER A 33 -16.469 0.286 3.771 1.00 0.00 N ATOM 512 CA SER A 33 -15.710 1.505 3.999 1.00 0.00 C ATOM 513 C SER A 33 -14.359 1.154 4.620 1.00 0.00 C ATOM 514 O SER A 33 -13.631 2.021 5.101 1.00 0.00 O ATOM 515 CB SER A 33 -16.500 2.422 4.940 1.00 0.00 C ATOM 516 OG SER A 33 -16.846 1.741 6.139 1.00 0.00 O ATOM 0 H SER A 33 -16.183 -0.504 4.350 1.00 0.00 H new ATOM 0 HA SER A 33 -15.542 2.020 3.053 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.907 3.305 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.404 2.770 4.441 1.00 0.00 H new ATOM 0 HG SER A 33 -16.045 1.329 6.524 1.00 0.00 H new ATOM 522 N ASP A 34 -14.033 -0.138 4.593 1.00 0.00 N ATOM 523 CA ASP A 34 -12.891 -0.655 5.348 1.00 0.00 C ATOM 524 C ASP A 34 -12.147 -1.743 4.587 1.00 0.00 C ATOM 525 O ASP A 34 -12.760 -2.610 3.960 1.00 0.00 O ATOM 526 CB ASP A 34 -13.355 -1.235 6.690 1.00 0.00 C ATOM 527 CG ASP A 34 -13.992 -0.208 7.597 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.290 0.345 8.466 1.00 0.00 O ATOM 529 OD2 ASP A 34 -15.204 0.045 7.449 1.00 0.00 O ATOM 0 H ASP A 34 -14.541 -0.843 4.059 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.216 0.186 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.069 -2.037 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.501 -1.680 7.200 1.00 0.00 H new ATOM 534 N ILE A 35 -10.825 -1.685 4.656 1.00 0.00 N ATOM 535 CA ILE A 35 -9.969 -2.753 4.160 1.00 0.00 C ATOM 536 C ILE A 35 -8.693 -2.786 4.990 1.00 0.00 C ATOM 537 O ILE A 35 -8.311 -1.775 5.581 1.00 0.00 O ATOM 538 CB ILE A 35 -9.590 -2.584 2.665 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.069 -3.910 2.090 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.533 -1.499 2.500 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.200 -3.756 0.854 1.00 0.00 C ATOM 0 H ILE A 35 -10.316 -0.897 5.057 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.529 -3.684 4.248 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.486 -2.289 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.497 -4.427 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.920 -4.546 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.280 -1.395 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.922 -0.552 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.640 -1.773 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.875 -4.739 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.773 -3.270 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.328 -3.149 1.096 1.00 0.00 H new ATOM 553 N GLU A 36 -8.052 -3.941 5.059 1.00 0.00 N ATOM 554 CA GLU A 36 -6.795 -4.073 5.772 1.00 0.00 C ATOM 555 C GLU A 36 -5.673 -4.298 4.772 1.00 0.00 C ATOM 556 O GLU A 36 -5.686 -5.274 4.015 1.00 0.00 O ATOM 557 CB GLU A 36 -6.849 -5.258 6.731 1.00 0.00 C ATOM 558 CG GLU A 36 -5.794 -5.221 7.832 1.00 0.00 C ATOM 559 CD GLU A 36 -6.012 -4.080 8.797 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.406 -3.011 8.603 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.796 -4.247 9.754 1.00 0.00 O ATOM 0 H GLU A 36 -8.384 -4.803 4.627 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.616 -3.161 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.837 -5.294 7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.730 -6.179 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.809 -6.164 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.805 -5.129 7.382 1.00 0.00 H new ATOM 568 N VAL A 37 -4.716 -3.399 4.769 1.00 0.00 N ATOM 569 CA VAL A 37 -3.579 -3.500 3.871 1.00 0.00 C ATOM 570 C VAL A 37 -2.282 -3.332 4.652 1.00 0.00 C ATOM 571 O VAL A 37 -2.156 -2.451 5.501 1.00 0.00 O ATOM 572 CB VAL A 37 -3.676 -2.512 2.669 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.752 -1.479 2.917 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.340 -1.837 2.342 1.00 0.00 C ATOM 0 H VAL A 37 -4.699 -2.583 5.381 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.587 -4.497 3.430 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.946 -3.105 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.805 -0.798 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.713 -1.978 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.514 -0.916 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.471 -1.161 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.996 -1.272 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.601 -2.597 2.088 1.00 0.00 H new ATOM 584 N ASP A 38 -1.344 -4.213 4.370 1.00 0.00 N ATOM 585 CA ASP A 38 -0.097 -4.280 5.112 1.00 0.00 C ATOM 586 C ASP A 38 1.085 -4.238 4.155 1.00 0.00 C ATOM 587 O ASP A 38 1.005 -4.748 3.041 1.00 0.00 O ATOM 588 CB ASP A 38 -0.088 -5.541 6.000 1.00 0.00 C ATOM 589 CG ASP A 38 0.976 -6.565 5.648 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.143 -6.370 6.028 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.627 -7.605 5.047 1.00 0.00 O ATOM 0 H ASP A 38 -1.422 -4.902 3.622 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.009 -3.414 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.051 -5.236 7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.066 -6.019 5.937 1.00 0.00 H new ATOM 596 N LEU A 39 2.165 -3.603 4.578 1.00 0.00 N ATOM 597 CA LEU A 39 3.333 -3.439 3.723 1.00 0.00 C ATOM 598 C LEU A 39 4.373 -4.489 4.080 1.00 0.00 C ATOM 599 O LEU A 39 4.609 -4.765 5.255 1.00 0.00 O ATOM 600 CB LEU A 39 3.938 -2.038 3.863 1.00 0.00 C ATOM 601 CG LEU A 39 2.949 -0.863 3.814 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.695 0.458 3.924 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.117 -0.885 2.546 1.00 0.00 C ATOM 0 H LEU A 39 2.259 -3.192 5.507 1.00 0.00 H new ATOM 0 HA LEU A 39 3.019 -3.565 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.479 -1.991 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.672 -1.901 3.069 1.00 0.00 H new ATOM 0 HG LEU A 39 2.271 -0.966 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.983 1.282 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.240 0.491 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.398 0.549 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.429 -0.039 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.774 -0.818 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.549 -1.814 2.500 1.00 0.00 H new ATOM 615 N LEU A 40 4.991 -5.063 3.063 1.00 0.00 N ATOM 616 CA LEU A 40 5.870 -6.203 3.248 1.00 0.00 C ATOM 617 C LEU A 40 7.325 -5.900 2.924 1.00 0.00 C ATOM 618 O LEU A 40 7.683 -4.817 2.473 1.00 0.00 O ATOM 619 CB LEU A 40 5.446 -7.376 2.375 1.00 0.00 C ATOM 620 CG LEU A 40 3.951 -7.644 2.273 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.703 -8.761 1.276 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.384 -8.001 3.634 1.00 0.00 C ATOM 0 H LEU A 40 4.899 -4.756 2.095 1.00 0.00 H new ATOM 0 HA LEU A 40 5.786 -6.451 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.832 -7.209 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.928 -8.276 2.756 1.00 0.00 H new ATOM 0 HG LEU A 40 3.447 -6.743 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.632 -8.953 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.086 -8.468 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.212 -9.666 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.314 -8.190 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.880 -8.895 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.550 -7.175 4.325 1.00 0.00 H new ATOM 634 N LYS A 41 8.124 -6.929 3.149 1.00 0.00 N ATOM 635 CA LYS A 41 9.557 -6.930 2.887 1.00 0.00 C ATOM 636 C LYS A 41 9.997 -8.345 2.542 1.00 0.00 C ATOM 637 O LYS A 41 10.138 -9.178 3.437 1.00 0.00 O ATOM 638 CB LYS A 41 10.340 -6.418 4.085 1.00 0.00 C ATOM 639 CG LYS A 41 10.437 -4.904 4.162 1.00 0.00 C ATOM 640 CD LYS A 41 11.003 -4.487 5.519 1.00 0.00 C ATOM 641 CE LYS A 41 11.954 -3.306 5.420 1.00 0.00 C ATOM 642 NZ LYS A 41 13.213 -3.667 4.715 1.00 0.00 N ATOM 0 H LYS A 41 7.786 -7.813 3.530 1.00 0.00 H new ATOM 0 HA LYS A 41 9.759 -6.261 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.871 -6.788 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.347 -6.835 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.076 -4.531 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.452 -4.460 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.181 -4.231 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.526 -5.333 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.464 -2.488 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.189 -2.944 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.015 -3.186 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.354 -4.696 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.151 -3.371 3.720 1.00 0.00 H new ATOM 656 N ASN A 42 10.164 -8.621 1.247 1.00 0.00 N ATOM 657 CA ASN A 42 10.457 -9.979 0.748 1.00 0.00 C ATOM 658 C ASN A 42 9.297 -10.947 1.002 1.00 0.00 C ATOM 659 O ASN A 42 9.265 -12.056 0.467 1.00 0.00 O ATOM 660 CB ASN A 42 11.753 -10.531 1.354 1.00 0.00 C ATOM 661 CG ASN A 42 12.984 -10.058 0.605 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.437 -10.708 -0.335 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.535 -8.922 1.012 1.00 0.00 N ATOM 0 H ASN A 42 10.102 -7.917 0.512 1.00 0.00 H new ATOM 0 HA ASN A 42 10.590 -9.893 -0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.824 -10.223 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.721 -11.620 1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.364 -8.560 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.130 -8.411 1.796 1.00 0.00 H new ATOM 670 N GLY A 43 8.358 -10.520 1.827 1.00 0.00 N ATOM 671 CA GLY A 43 7.180 -11.310 2.108 1.00 0.00 C ATOM 672 C GLY A 43 6.709 -11.128 3.537 1.00 0.00 C ATOM 673 O GLY A 43 5.657 -11.637 3.920 1.00 0.00 O ATOM 0 H GLY A 43 8.392 -9.625 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.381 -11.027 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.397 -12.363 1.928 1.00 0.00 H new ATOM 677 N GLU A 44 7.480 -10.385 4.326 1.00 0.00 N ATOM 678 CA GLU A 44 7.211 -10.239 5.747 1.00 0.00 C ATOM 679 C GLU A 44 6.542 -8.905 6.058 1.00 0.00 C ATOM 680 O GLU A 44 6.875 -7.885 5.463 1.00 0.00 O ATOM 681 CB GLU A 44 8.521 -10.355 6.514 1.00 0.00 C ATOM 682 CG GLU A 44 9.246 -11.660 6.261 1.00 0.00 C ATOM 683 CD GLU A 44 10.486 -11.821 7.113 1.00 0.00 C ATOM 684 OE1 GLU A 44 10.498 -11.332 8.264 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.445 -12.463 6.647 1.00 0.00 O ATOM 0 H GLU A 44 8.300 -9.873 4.000 1.00 0.00 H new ATOM 0 HA GLU A 44 6.525 -11.029 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.172 -9.526 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.320 -10.259 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.567 -12.490 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.525 -11.717 5.209 1.00 0.00 H new ATOM 692 N ARG A 45 5.598 -8.938 6.991 1.00 0.00 N ATOM 693 CA ARG A 45 4.851 -7.761 7.413 1.00 0.00 C ATOM 694 C ARG A 45 5.737 -6.742 8.132 1.00 0.00 C ATOM 695 O ARG A 45 6.543 -7.098 8.995 1.00 0.00 O ATOM 696 CB ARG A 45 3.721 -8.209 8.336 1.00 0.00 C ATOM 697 CG ARG A 45 2.901 -7.094 8.913 1.00 0.00 C ATOM 698 CD ARG A 45 1.536 -7.650 9.322 1.00 0.00 C ATOM 699 NE ARG A 45 0.889 -8.332 8.203 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.158 -9.143 8.326 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.687 -9.383 9.521 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.689 -9.697 7.245 1.00 0.00 N ATOM 0 H ARG A 45 5.328 -9.791 7.480 1.00 0.00 H new ATOM 0 HA ARG A 45 4.453 -7.269 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.062 -8.877 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.148 -8.789 9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.407 -6.661 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.780 -6.296 8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.657 -8.344 10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.900 -6.838 9.674 1.00 0.00 H new ATOM 0 HE ARG A 45 1.265 -8.176 7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.290 -8.944 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.490 -10.006 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.295 -9.501 6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.492 -10.320 7.333 1.00 0.00 H new ATOM 716 N ILE A 46 5.567 -5.478 7.770 1.00 0.00 N ATOM 717 CA ILE A 46 6.272 -4.375 8.402 1.00 0.00 C ATOM 718 C ILE A 46 5.403 -3.757 9.483 1.00 0.00 C ATOM 719 O ILE A 46 4.197 -3.592 9.306 1.00 0.00 O ATOM 720 CB ILE A 46 6.624 -3.283 7.376 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.454 -3.869 6.243 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.371 -2.138 8.048 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.625 -2.922 5.079 1.00 0.00 C ATOM 0 H ILE A 46 4.932 -5.189 7.026 1.00 0.00 H new ATOM 0 HA ILE A 46 7.191 -4.772 8.834 1.00 0.00 H new ATOM 0 HB ILE A 46 5.697 -2.889 6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.437 -4.145 6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.981 -4.785 5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.611 -1.376 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.745 -1.702 8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.292 -2.515 8.492 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.226 -3.401 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.647 -2.666 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.126 -2.015 5.418 1.00 0.00 H new ATOM 735 N GLU A 47 6.017 -3.412 10.600 1.00 0.00 N ATOM 736 CA GLU A 47 5.295 -2.834 11.729 1.00 0.00 C ATOM 737 C GLU A 47 5.258 -1.309 11.669 1.00 0.00 C ATOM 738 O GLU A 47 4.250 -0.701 12.022 1.00 0.00 O ATOM 739 CB GLU A 47 5.909 -3.268 13.073 1.00 0.00 C ATOM 740 CG GLU A 47 7.386 -3.636 13.036 1.00 0.00 C ATOM 741 CD GLU A 47 7.657 -4.976 12.389 1.00 0.00 C ATOM 742 OE1 GLU A 47 7.359 -6.015 13.008 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.180 -4.991 11.257 1.00 0.00 O ATOM 0 H GLU A 47 7.019 -3.521 10.754 1.00 0.00 H new ATOM 0 HA GLU A 47 4.275 -3.211 11.659 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.773 -2.460 13.792 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.349 -4.125 13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.932 -2.863 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.775 -3.647 14.054 1.00 0.00 H new ATOM 750 N LYS A 48 6.368 -0.693 11.256 1.00 0.00 N ATOM 751 CA LYS A 48 6.472 0.765 11.159 1.00 0.00 C ATOM 752 C LYS A 48 5.470 1.385 10.189 1.00 0.00 C ATOM 753 O LYS A 48 5.469 2.598 9.979 1.00 0.00 O ATOM 754 CB LYS A 48 7.875 1.136 10.733 1.00 0.00 C ATOM 755 CG LYS A 48 8.909 0.605 11.711 1.00 0.00 C ATOM 756 CD LYS A 48 10.303 1.214 11.509 1.00 0.00 C ATOM 757 CE LYS A 48 11.401 0.379 12.157 1.00 0.00 C ATOM 758 NZ LYS A 48 11.506 -0.969 11.540 1.00 0.00 N ATOM 0 H LYS A 48 7.216 -1.188 10.981 1.00 0.00 H new ATOM 0 HA LYS A 48 6.240 1.164 12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.073 0.736 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.961 2.220 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.575 0.808 12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.975 -0.478 11.608 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.504 1.309 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.321 2.220 11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.355 0.897 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.198 0.276 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.458 -1.353 11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.799 -1.602 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.335 -0.897 10.517 1.00 0.00 H new ATOM 772 N VAL A 49 4.652 0.558 9.571 1.00 0.00 N ATOM 773 CA VAL A 49 3.596 1.038 8.704 1.00 0.00 C ATOM 774 C VAL A 49 2.546 1.805 9.495 1.00 0.00 C ATOM 775 O VAL A 49 2.150 1.391 10.586 1.00 0.00 O ATOM 776 CB VAL A 49 2.921 -0.124 7.968 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.831 0.388 7.038 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.963 -0.924 7.210 1.00 0.00 C ATOM 0 H VAL A 49 4.699 -0.457 9.654 1.00 0.00 H new ATOM 0 HA VAL A 49 4.054 1.707 7.976 1.00 0.00 H new ATOM 0 HB VAL A 49 2.446 -0.780 8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.365 -0.454 6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.078 0.921 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.268 1.064 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.479 -1.749 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.461 -0.279 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.699 -1.319 7.910 1.00 0.00 H new ATOM 788 N GLU A 50 2.106 2.921 8.944 1.00 0.00 N ATOM 789 CA GLU A 50 1.087 3.728 9.575 1.00 0.00 C ATOM 790 C GLU A 50 0.017 4.111 8.568 1.00 0.00 C ATOM 791 O GLU A 50 0.301 4.338 7.389 1.00 0.00 O ATOM 792 CB GLU A 50 1.687 4.999 10.171 1.00 0.00 C ATOM 793 CG GLU A 50 2.812 4.752 11.153 1.00 0.00 C ATOM 794 CD GLU A 50 3.502 6.035 11.557 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.873 6.860 12.256 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.672 6.232 11.174 1.00 0.00 O ATOM 0 H GLU A 50 2.443 3.288 8.054 1.00 0.00 H new ATOM 0 HA GLU A 50 0.643 3.135 10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.058 5.627 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.898 5.559 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.417 4.258 12.040 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.540 4.074 10.708 1.00 0.00 H new ATOM 803 N HIS A 51 -1.206 4.158 9.040 1.00 0.00 N ATOM 804 CA HIS A 51 -2.314 4.668 8.248 1.00 0.00 C ATOM 805 C HIS A 51 -2.790 5.994 8.823 1.00 0.00 C ATOM 806 O HIS A 51 -2.999 6.121 10.030 1.00 0.00 O ATOM 807 CB HIS A 51 -3.472 3.662 8.179 1.00 0.00 C ATOM 808 CG HIS A 51 -4.011 3.226 9.514 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.239 3.649 9.959 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.462 2.404 10.446 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.410 3.083 11.142 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.361 2.320 11.478 1.00 0.00 N ATOM 0 H HIS A 51 -1.466 3.848 9.976 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.960 4.824 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.284 4.104 7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.136 2.780 7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.503 1.912 10.386 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.285 3.219 11.760 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.252 1.780 12.337 1.00 0.00 H new ATOM 820 N SER A 52 -2.914 6.988 7.962 1.00 0.00 N ATOM 821 CA SER A 52 -3.364 8.303 8.385 1.00 0.00 C ATOM 822 C SER A 52 -4.882 8.308 8.542 1.00 0.00 C ATOM 823 O SER A 52 -5.548 7.325 8.209 1.00 0.00 O ATOM 824 CB SER A 52 -2.923 9.362 7.368 1.00 0.00 C ATOM 825 OG SER A 52 -3.057 10.673 7.889 1.00 0.00 O ATOM 0 H SER A 52 -2.710 6.910 6.966 1.00 0.00 H new ATOM 0 HA SER A 52 -2.914 8.542 9.349 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.885 9.186 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.520 9.267 6.461 1.00 0.00 H new ATOM 0 HG SER A 52 -2.766 11.324 7.216 1.00 0.00 H new ATOM 973 N PHE A 62 -14.260 5.960 -1.099 1.00 0.00 N ATOM 974 CA PHE A 62 -13.531 6.448 0.058 1.00 0.00 C ATOM 975 C PHE A 62 -12.114 5.897 -0.001 1.00 0.00 C ATOM 976 O PHE A 62 -11.899 4.772 -0.454 1.00 0.00 O ATOM 977 CB PHE A 62 -14.217 6.015 1.366 1.00 0.00 C ATOM 978 CG PHE A 62 -15.677 6.395 1.487 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.650 5.723 0.754 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.082 7.397 2.363 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.991 6.044 0.888 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.425 7.724 2.495 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.376 7.043 1.758 1.00 0.00 C ATOM 0 HA PHE A 62 -13.513 7.538 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.131 4.933 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.674 6.452 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.356 4.940 0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.344 7.926 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.734 5.513 0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.726 8.509 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.421 7.293 1.863 1.00 0.00 H new ATOM 993 N TYR A 63 -11.153 6.687 0.437 1.00 0.00 N ATOM 994 CA TYR A 63 -9.757 6.314 0.301 1.00 0.00 C ATOM 995 C TYR A 63 -9.191 5.866 1.645 1.00 0.00 C ATOM 996 O TYR A 63 -9.591 6.366 2.696 1.00 0.00 O ATOM 997 CB TYR A 63 -8.955 7.510 -0.236 1.00 0.00 C ATOM 998 CG TYR A 63 -9.563 8.163 -1.463 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.317 7.661 -2.735 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.374 9.288 -1.348 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.863 8.260 -3.857 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.924 9.891 -2.464 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.664 9.376 -3.717 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.213 9.974 -4.831 1.00 0.00 O ATOM 0 H TYR A 63 -11.311 7.588 0.888 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.680 5.483 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.865 8.257 0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.945 7.178 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.690 6.789 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.577 9.697 -0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.663 7.856 -4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.554 10.761 -2.355 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.751 10.746 -4.556 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.266 4.917 1.604 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.541 4.502 2.794 1.00 0.00 C ATOM 1016 C LEU A 64 -6.073 4.322 2.438 1.00 0.00 C ATOM 1017 O LEU A 64 -5.737 3.685 1.437 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.181 3.227 3.388 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.392 2.484 4.473 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.351 1.885 5.481 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.548 1.387 3.850 1.00 0.00 C ATOM 0 H LEU A 64 -8.000 4.419 0.755 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.602 5.266 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.152 3.499 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.368 2.531 2.570 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.733 3.190 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.787 1.358 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.938 2.680 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.019 1.186 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.993 0.867 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.196 0.679 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.849 1.826 3.138 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.205 4.909 3.253 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.793 4.994 2.930 1.00 0.00 C ATOM 1035 C LEU A 65 -2.955 4.256 3.967 1.00 0.00 C ATOM 1036 O LEU A 65 -3.157 4.416 5.169 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.370 6.467 2.889 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.266 6.838 1.887 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -2.012 8.339 1.915 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.976 6.086 2.176 1.00 0.00 C ATOM 0 H LEU A 65 -5.459 5.334 4.145 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.629 4.530 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.251 7.068 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.035 6.753 3.886 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.608 6.549 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.228 8.589 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.927 8.868 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.699 8.636 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.217 6.373 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.628 6.332 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.157 5.013 2.108 1.00 0.00 H new ATOM 1052 N TYR A 66 -2.017 3.460 3.488 1.00 0.00 N ATOM 1053 CA TYR A 66 -1.043 2.798 4.344 1.00 0.00 C ATOM 1054 C TYR A 66 0.364 3.105 3.851 1.00 0.00 C ATOM 1055 O TYR A 66 0.713 2.792 2.717 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.286 1.290 4.380 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.206 0.824 5.490 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.560 0.609 5.270 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.702 0.562 6.759 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.380 0.148 6.277 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.520 0.104 7.774 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.858 -0.101 7.528 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.673 -0.551 8.541 1.00 0.00 O ATOM 0 H TYR A 66 -1.907 3.253 2.495 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.153 3.176 5.360 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.707 0.981 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.327 0.783 4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.977 0.806 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.652 0.719 6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.430 -0.018 6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.112 -0.092 8.754 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.099 -1.391 8.270 1.00 0.00 H new ATOM 1073 N TYR A 67 1.162 3.746 4.693 1.00 0.00 N ATOM 1074 CA TYR A 67 2.505 4.158 4.291 1.00 0.00 C ATOM 1075 C TYR A 67 3.518 3.904 5.396 1.00 0.00 C ATOM 1076 O TYR A 67 3.153 3.639 6.539 1.00 0.00 O ATOM 1077 CB TYR A 67 2.528 5.645 3.891 1.00 0.00 C ATOM 1078 CG TYR A 67 2.181 6.610 5.004 1.00 0.00 C ATOM 1079 CD1 TYR A 67 0.862 6.948 5.276 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.180 7.204 5.767 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.547 7.845 6.278 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.873 8.099 6.773 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.556 8.416 7.023 1.00 0.00 C ATOM 1084 OH TYR A 67 1.248 9.301 8.028 1.00 0.00 O ATOM 0 H TYR A 67 0.909 3.992 5.650 1.00 0.00 H new ATOM 0 HA TYR A 67 2.782 3.556 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.521 5.890 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.829 5.796 3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.069 6.502 4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.214 6.961 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.484 8.097 6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.661 8.548 7.360 1.00 0.00 H new ATOM 0 HH TYR A 67 2.074 9.610 8.456 1.00 0.00 H new ATOM 1094 N THR A 68 4.791 3.975 5.039 1.00 0.00 N ATOM 1095 CA THR A 68 5.863 3.794 6.005 1.00 0.00 C ATOM 1096 C THR A 68 7.128 4.504 5.531 1.00 0.00 C ATOM 1097 O THR A 68 7.354 4.654 4.325 1.00 0.00 O ATOM 1098 CB THR A 68 6.158 2.289 6.239 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.066 2.122 7.335 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.737 1.628 4.992 1.00 0.00 C ATOM 0 H THR A 68 5.107 4.157 4.086 1.00 0.00 H new ATOM 0 HA THR A 68 5.540 4.230 6.950 1.00 0.00 H new ATOM 0 HB THR A 68 5.210 1.805 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.241 1.168 7.472 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.930 0.575 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.026 1.715 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.669 2.122 4.718 1.00 0.00 H new ATOM 1108 N GLU A 69 7.924 4.973 6.485 1.00 0.00 N ATOM 1109 CA GLU A 69 9.222 5.557 6.187 1.00 0.00 C ATOM 1110 C GLU A 69 10.261 4.441 6.167 1.00 0.00 C ATOM 1111 O GLU A 69 10.377 3.677 7.127 1.00 0.00 O ATOM 1112 CB GLU A 69 9.586 6.610 7.244 1.00 0.00 C ATOM 1113 CG GLU A 69 10.876 7.356 6.957 1.00 0.00 C ATOM 1114 CD GLU A 69 11.367 8.142 8.153 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.291 7.658 8.840 1.00 0.00 O ATOM 1116 OE2 GLU A 69 10.825 9.233 8.425 1.00 0.00 O ATOM 0 H GLU A 69 7.689 4.959 7.477 1.00 0.00 H new ATOM 0 HA GLU A 69 9.194 6.051 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.771 7.330 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.670 6.121 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.644 6.645 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.721 8.035 6.118 1.00 0.00 H new ATOM 1123 N PHE A 70 11.023 4.352 5.092 1.00 0.00 N ATOM 1124 CA PHE A 70 11.889 3.201 4.863 1.00 0.00 C ATOM 1125 C PHE A 70 13.190 3.643 4.207 1.00 0.00 C ATOM 1126 O PHE A 70 13.285 4.763 3.700 1.00 0.00 O ATOM 1127 CB PHE A 70 11.172 2.137 4.004 1.00 0.00 C ATOM 1128 CG PHE A 70 10.808 2.575 2.604 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.460 3.882 2.332 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.806 1.663 1.561 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.124 4.277 1.058 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.468 2.050 0.276 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.128 3.364 0.022 1.00 0.00 C ATOM 0 H PHE A 70 11.062 5.062 4.361 1.00 0.00 H new ATOM 0 HA PHE A 70 12.125 2.748 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.812 1.257 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.262 1.831 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.451 4.607 3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.072 0.634 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.856 5.306 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.470 1.326 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.867 3.675 -0.979 1.00 0.00 H new ATOM 1143 N THR A 71 14.190 2.779 4.233 1.00 0.00 N ATOM 1144 CA THR A 71 15.439 3.029 3.537 1.00 0.00 C ATOM 1145 C THR A 71 15.691 1.909 2.521 1.00 0.00 C ATOM 1146 O THR A 71 16.288 0.889 2.861 1.00 0.00 O ATOM 1147 CB THR A 71 16.618 3.098 4.530 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.291 3.986 5.612 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.888 3.583 3.840 1.00 0.00 C ATOM 0 H THR A 71 14.159 1.891 4.733 1.00 0.00 H new ATOM 0 HA THR A 71 15.363 3.987 3.023 1.00 0.00 H new ATOM 0 HB THR A 71 16.797 2.095 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.042 4.026 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.703 3.622 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.150 2.896 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.721 4.578 3.428 1.00 0.00 H new ATOM 1157 N PRO A 72 15.184 2.058 1.281 1.00 0.00 N ATOM 1158 CA PRO A 72 15.385 1.073 0.205 1.00 0.00 C ATOM 1159 C PRO A 72 16.847 0.695 0.016 1.00 0.00 C ATOM 1160 O PRO A 72 17.737 1.538 0.115 1.00 0.00 O ATOM 1161 CB PRO A 72 14.860 1.787 -1.057 1.00 0.00 C ATOM 1162 CG PRO A 72 14.634 3.210 -0.652 1.00 0.00 C ATOM 1163 CD PRO A 72 14.362 3.185 0.824 1.00 0.00 C ATOM 0 HA PRO A 72 14.873 0.137 0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.580 1.722 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.936 1.329 -1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.507 3.822 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.793 3.641 -1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.651 4.119 1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.305 3.029 1.039 1.00 0.00 H new ATOM 1171 N THR A 73 17.073 -0.579 -0.268 1.00 0.00 N ATOM 1172 CA THR A 73 18.413 -1.102 -0.460 1.00 0.00 C ATOM 1173 C THR A 73 18.430 -2.066 -1.638 1.00 0.00 C ATOM 1174 O THR A 73 17.379 -2.392 -2.185 1.00 0.00 O ATOM 1175 CB THR A 73 18.931 -1.837 0.797 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.104 -2.968 1.080 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.945 -0.921 2.005 1.00 0.00 C ATOM 0 H THR A 73 16.335 -1.275 -0.371 1.00 0.00 H new ATOM 0 HA THR A 73 19.068 -0.253 -0.655 1.00 0.00 H new ATOM 0 HB THR A 73 19.951 -2.162 0.592 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.204 -2.812 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.314 -1.468 2.872 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.597 -0.070 1.809 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.934 -0.566 2.204 1.00 0.00 H new ATOM 1185 N GLU A 74 19.612 -2.508 -2.029 1.00 0.00 N ATOM 1186 CA GLU A 74 19.740 -3.523 -3.065 1.00 0.00 C ATOM 1187 C GLU A 74 19.227 -4.853 -2.535 1.00 0.00 C ATOM 1188 O GLU A 74 18.400 -5.519 -3.161 1.00 0.00 O ATOM 1189 CB GLU A 74 21.214 -3.639 -3.483 1.00 0.00 C ATOM 1190 CG GLU A 74 21.477 -4.399 -4.774 1.00 0.00 C ATOM 1191 CD GLU A 74 21.710 -5.888 -4.580 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.746 -6.634 -4.346 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.876 -6.320 -4.686 1.00 0.00 O ATOM 0 H GLU A 74 20.499 -2.181 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 74 19.149 -3.243 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.623 -2.634 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.763 -4.127 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.629 -4.259 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.348 -3.967 -5.267 1.00 0.00 H new ATOM 1200 N LYS A 75 19.695 -5.200 -1.349 1.00 0.00 N ATOM 1201 CA LYS A 75 19.458 -6.499 -0.772 1.00 0.00 C ATOM 1202 C LYS A 75 18.021 -6.681 -0.293 1.00 0.00 C ATOM 1203 O LYS A 75 17.539 -7.811 -0.203 1.00 0.00 O ATOM 1204 CB LYS A 75 20.433 -6.713 0.384 1.00 0.00 C ATOM 1205 CG LYS A 75 21.890 -6.647 -0.059 1.00 0.00 C ATOM 1206 CD LYS A 75 22.139 -7.615 -1.192 1.00 0.00 C ATOM 1207 CE LYS A 75 23.532 -7.439 -1.772 1.00 0.00 C ATOM 1208 NZ LYS A 75 23.718 -8.215 -3.026 1.00 0.00 N ATOM 0 H LYS A 75 20.253 -4.581 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 75 19.620 -7.245 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.255 -5.957 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.240 -7.683 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.135 -5.634 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.543 -6.884 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.019 -8.637 -0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.395 -7.462 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.711 -6.382 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.273 -7.755 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.642 -8.692 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.963 -8.926 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.679 -7.571 -3.842 1.00 0.00 H new ATOM 1222 N ASP A 76 17.339 -5.592 0.023 1.00 0.00 N ATOM 1223 CA ASP A 76 15.983 -5.695 0.545 1.00 0.00 C ATOM 1224 C ASP A 76 14.930 -5.321 -0.511 1.00 0.00 C ATOM 1225 O ASP A 76 15.263 -4.906 -1.624 1.00 0.00 O ATOM 1226 CB ASP A 76 15.861 -4.839 1.827 1.00 0.00 C ATOM 1227 CG ASP A 76 15.005 -3.618 1.683 1.00 0.00 C ATOM 1228 OD1 ASP A 76 13.854 -3.677 2.163 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.483 -2.598 1.139 1.00 0.00 O ATOM 0 H ASP A 76 17.693 -4.640 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 76 15.783 -6.735 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.454 -5.460 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.859 -4.532 2.139 1.00 0.00 H new ATOM 1234 N GLU A 77 13.661 -5.481 -0.139 1.00 0.00 N ATOM 1235 CA GLU A 77 12.541 -5.331 -1.067 1.00 0.00 C ATOM 1236 C GLU A 77 11.253 -5.169 -0.278 1.00 0.00 C ATOM 1237 O GLU A 77 11.090 -5.790 0.769 1.00 0.00 O ATOM 1238 CB GLU A 77 12.456 -6.562 -1.978 1.00 0.00 C ATOM 1239 CG GLU A 77 11.479 -6.437 -3.147 1.00 0.00 C ATOM 1240 CD GLU A 77 11.933 -5.433 -4.175 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.828 -5.766 -4.980 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.361 -4.328 -4.220 1.00 0.00 O ATOM 0 H GLU A 77 13.380 -5.718 0.813 1.00 0.00 H new ATOM 0 HA GLU A 77 12.693 -4.447 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.449 -6.770 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.168 -7.422 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.360 -7.411 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.499 -6.146 -2.768 1.00 0.00 H new ATOM 1249 N TYR A 78 10.340 -4.347 -0.777 1.00 0.00 N ATOM 1250 CA TYR A 78 9.111 -4.053 -0.058 1.00 0.00 C ATOM 1251 C TYR A 78 7.903 -4.359 -0.929 1.00 0.00 C ATOM 1252 O TYR A 78 7.964 -4.259 -2.156 1.00 0.00 O ATOM 1253 CB TYR A 78 9.051 -2.587 0.416 1.00 0.00 C ATOM 1254 CG TYR A 78 10.314 -2.069 1.082 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.306 -1.705 2.422 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.509 -1.935 0.377 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.443 -1.225 3.036 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.649 -1.461 0.993 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.610 -1.111 2.322 1.00 0.00 C ATOM 1260 OH TYR A 78 13.742 -0.636 2.943 1.00 0.00 O ATOM 0 H TYR A 78 10.428 -3.873 -1.676 1.00 0.00 H new ATOM 0 HA TYR A 78 9.097 -4.690 0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.826 -1.954 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.222 -2.482 1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.394 -1.800 2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.543 -2.206 -0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.416 -0.939 4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.568 -1.365 0.434 1.00 0.00 H new ATOM 0 HH TYR A 78 14.529 -1.101 2.589 1.00 0.00 H new ATOM 1270 N ALA A 79 6.810 -4.737 -0.288 1.00 0.00 N ATOM 1271 CA ALA A 79 5.588 -5.113 -1.008 1.00 0.00 C ATOM 1272 C ALA A 79 4.344 -4.540 -0.346 1.00 0.00 C ATOM 1273 O ALA A 79 4.401 -4.061 0.776 1.00 0.00 O ATOM 1274 CB ALA A 79 5.483 -6.626 -1.115 1.00 0.00 C ATOM 0 H ALA A 79 6.736 -4.794 0.728 1.00 0.00 H new ATOM 0 HA ALA A 79 5.651 -4.689 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.572 -6.890 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.347 -7.013 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.455 -7.060 -0.116 1.00 0.00 H new ATOM 1280 N CYS A 80 3.235 -4.534 -1.067 1.00 0.00 N ATOM 1281 CA CYS A 80 1.952 -4.132 -0.508 1.00 0.00 C ATOM 1282 C CYS A 80 0.988 -5.317 -0.497 1.00 0.00 C ATOM 1283 O CYS A 80 0.841 -6.006 -1.508 1.00 0.00 O ATOM 1284 CB CYS A 80 1.342 -3.003 -1.339 1.00 0.00 C ATOM 1285 SG CYS A 80 1.737 -1.327 -0.755 1.00 0.00 S ATOM 0 H CYS A 80 3.197 -4.805 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 80 2.117 -3.785 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.684 -3.104 -2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.259 -3.123 -1.349 1.00 0.00 H new ATOM 1290 N ARG A 81 0.346 -5.550 0.637 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.643 -6.619 0.770 1.00 0.00 C ATOM 1292 C ARG A 81 -1.999 -6.026 1.104 1.00 0.00 C ATOM 1293 O ARG A 81 -2.085 -5.123 1.924 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.265 -7.562 1.910 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.007 -8.891 1.892 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.758 -9.685 3.169 1.00 0.00 C ATOM 1297 NE ARG A 81 0.662 -9.927 3.398 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.264 -11.096 3.170 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.566 -12.142 2.753 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.566 -11.225 3.375 1.00 0.00 N ATOM 0 H ARG A 81 0.492 -5.009 1.489 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.675 -7.163 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.807 -7.756 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.460 -7.063 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.076 -8.711 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.687 -9.476 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.174 -9.144 4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.283 -10.639 3.110 1.00 0.00 H new ATOM 0 HE ARG A 81 1.229 -9.157 3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.439 -12.057 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.034 -13.032 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.111 -10.430 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.024 -12.120 3.200 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.058 -6.528 0.492 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.397 -6.135 0.911 1.00 0.00 C ATOM 1316 C VAL A 82 -5.280 -7.350 1.086 1.00 0.00 C ATOM 1317 O VAL A 82 -5.182 -8.330 0.343 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.080 -5.135 -0.042 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.083 -4.133 -0.551 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.797 -5.830 -1.184 1.00 0.00 C ATOM 0 H VAL A 82 -3.023 -7.194 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.267 -5.623 1.864 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.843 -4.605 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.581 -3.434 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.655 -3.587 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.289 -4.651 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.263 -5.085 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.080 -6.413 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.564 -6.493 -0.783 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.107 -7.284 2.102 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.014 -8.366 2.430 1.00 0.00 C ATOM 1332 C ASN A 83 -8.456 -7.883 2.394 1.00 0.00 C ATOM 1333 O ASN A 83 -8.817 -6.961 3.128 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.709 -8.908 3.837 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.243 -9.257 4.056 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -4.850 -10.416 3.991 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.417 -8.251 4.300 1.00 0.00 N ATOM 0 H ASN A 83 -6.173 -6.480 2.727 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.876 -9.156 1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.010 -8.165 4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.315 -9.797 4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.423 -8.430 4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.775 -7.297 4.348 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.277 -8.492 1.545 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.690 -8.194 1.513 1.00 0.00 C ATOM 1346 C HIS A 84 -11.447 -9.465 1.171 1.00 0.00 C ATOM 1347 O HIS A 84 -10.854 -10.426 0.675 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.998 -7.113 0.479 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.238 -6.335 0.793 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.405 -6.556 0.112 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.439 -5.355 1.710 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.286 -5.714 0.621 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.745 -4.961 1.591 1.00 0.00 N ATOM 0 H HIS A 84 -8.979 -9.197 0.870 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.999 -7.822 2.490 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.153 -6.428 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.106 -7.577 -0.501 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.709 -4.961 2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.314 -5.641 0.297 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.215 -4.236 2.134 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.748 -9.465 1.413 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.562 -10.641 1.159 1.00 0.00 C ATOM 1363 C VAL A 85 -13.680 -10.913 -0.335 1.00 0.00 C ATOM 1364 O VAL A 85 -13.962 -12.038 -0.744 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.978 -10.500 1.762 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.896 -10.252 3.260 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.758 -9.387 1.074 1.00 0.00 C ATOM 0 H VAL A 85 -13.261 -8.666 1.784 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.059 -11.479 1.642 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.512 -11.435 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.902 -10.155 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.388 -11.089 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.339 -9.334 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.750 -9.310 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.230 -8.442 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.852 -9.612 0.012 1.00 0.00 H new ATOM 1377 N THR A 86 -13.469 -9.884 -1.151 1.00 0.00 N ATOM 1378 CA THR A 86 -13.628 -10.013 -2.585 1.00 0.00 C ATOM 1379 C THR A 86 -12.501 -10.835 -3.186 1.00 0.00 C ATOM 1380 O THR A 86 -12.730 -11.731 -4.000 1.00 0.00 O ATOM 1381 CB THR A 86 -13.652 -8.626 -3.258 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.382 -7.984 -3.097 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.726 -7.747 -2.649 1.00 0.00 C ATOM 0 H THR A 86 -13.188 -8.955 -0.838 1.00 0.00 H new ATOM 0 HA THR A 86 -14.576 -10.520 -2.764 1.00 0.00 H new ATOM 0 HB THR A 86 -13.868 -8.769 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.924 -7.944 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.722 -6.774 -3.141 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.700 -8.217 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.529 -7.616 -1.585 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.286 -10.518 -2.771 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.116 -11.203 -3.269 1.00 0.00 C ATOM 1393 C LEU A 87 -10.110 -12.632 -2.741 1.00 0.00 C ATOM 1394 O LEU A 87 -10.158 -12.859 -1.528 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.835 -10.466 -2.852 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.646 -9.082 -3.485 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.286 -8.494 -3.120 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.806 -9.164 -4.995 1.00 0.00 C ATOM 0 H LEU A 87 -11.089 -9.787 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.148 -11.221 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.834 -10.356 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.977 -11.087 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.415 -8.419 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.178 -7.513 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.211 -8.396 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.496 -9.153 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.669 -8.174 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.060 -9.846 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.804 -9.531 -5.236 1.00 0.00 H new ATOM 1410 N SER A 88 -10.090 -13.589 -3.666 1.00 0.00 N ATOM 1411 CA SER A 88 -10.095 -15.008 -3.327 1.00 0.00 C ATOM 1412 C SER A 88 -8.923 -15.334 -2.409 1.00 0.00 C ATOM 1413 O SER A 88 -8.998 -16.225 -1.560 1.00 0.00 O ATOM 1414 CB SER A 88 -10.039 -15.843 -4.610 1.00 0.00 C ATOM 1415 OG SER A 88 -8.931 -15.471 -5.420 1.00 0.00 O ATOM 0 H SER A 88 -10.070 -13.402 -4.669 1.00 0.00 H new ATOM 0 HA SER A 88 -11.015 -15.251 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.967 -16.900 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.964 -15.712 -5.172 1.00 0.00 H new ATOM 0 HG SER A 88 -8.919 -16.021 -6.231 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.848 -14.590 -2.595 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.682 -14.626 -1.739 1.00 0.00 C ATOM 1423 C GLN A 89 -6.167 -13.200 -1.667 1.00 0.00 C ATOM 1424 O GLN A 89 -6.218 -12.499 -2.681 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.585 -15.539 -2.320 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.040 -16.394 -3.496 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.953 -15.702 -4.839 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -6.008 -14.386 -4.840 1.00 0.00 O flip ATOM 1429 NE2 GLN A 89 -5.803 -16.353 -5.872 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.762 -13.928 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.943 -15.022 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.745 -14.921 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.218 -16.194 -1.530 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.435 -17.300 -3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.071 -16.705 -3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.765 -17.372 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.717 -15.874 -6.769 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.720 -12.721 -0.493 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.099 -11.394 -0.370 1.00 0.00 C ATOM 1440 C PRO A 90 -4.114 -11.101 -1.490 1.00 0.00 C ATOM 1441 O PRO A 90 -3.500 -12.011 -2.060 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.383 -11.493 0.964 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.295 -12.339 1.775 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.809 -13.400 0.824 1.00 0.00 C ATOM 0 HA PRO A 90 -5.827 -10.585 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.398 -11.948 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.235 -10.512 1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.769 -12.788 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.114 -11.750 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.200 -14.304 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.831 -13.696 1.060 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.945 -9.829 -1.787 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.207 -9.433 -2.957 1.00 0.00 C ATOM 1454 C LYS A 91 -1.902 -8.774 -2.574 1.00 0.00 C ATOM 1455 O LYS A 91 -1.880 -7.863 -1.746 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.021 -8.468 -3.802 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.380 -8.215 -5.143 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.351 -9.492 -5.955 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.717 -9.817 -6.544 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.104 -8.860 -7.612 1.00 0.00 N ATOM 0 H LYS A 91 -4.311 -9.056 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.997 -10.334 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.023 -8.871 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.132 -7.524 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.934 -7.446 -5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.366 -7.839 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.622 -9.395 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.021 -10.317 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.705 -10.828 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.466 -9.800 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.878 -9.264 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.419 -7.968 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.286 -8.677 -8.228 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.822 -9.241 -3.169 1.00 0.00 N ATOM 1475 CA ILE A 92 0.481 -8.636 -2.965 1.00 0.00 C ATOM 1476 C ILE A 92 0.989 -8.032 -4.263 1.00 0.00 C ATOM 1477 O ILE A 92 0.954 -8.666 -5.316 1.00 0.00 O ATOM 1478 CB ILE A 92 1.541 -9.643 -2.450 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.204 -10.151 -1.042 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.933 -9.016 -2.461 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.151 -11.234 -1.005 1.00 0.00 C ATOM 0 H ILE A 92 -0.821 -10.042 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 92 0.343 -7.868 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 92 1.531 -10.497 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.115 -10.530 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.865 -9.310 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.661 -9.740 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.192 -8.723 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.941 -8.137 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.026 -11.534 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.776 -10.855 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.494 -12.094 -1.580 1.00 0.00 H new ATOM 1493 N VAL A 93 1.439 -6.802 -4.176 1.00 0.00 N ATOM 1494 CA VAL A 93 2.109 -6.145 -5.280 1.00 0.00 C ATOM 1495 C VAL A 93 3.425 -5.585 -4.773 1.00 0.00 C ATOM 1496 O VAL A 93 3.461 -4.896 -3.751 1.00 0.00 O ATOM 1497 CB VAL A 93 1.253 -5.016 -5.898 1.00 0.00 C ATOM 1498 CG1 VAL A 93 2.019 -4.291 -6.996 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.052 -5.577 -6.445 1.00 0.00 C ATOM 0 H VAL A 93 1.352 -6.226 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 93 2.278 -6.877 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 93 1.023 -4.297 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.395 -3.501 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.926 -3.854 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.285 -4.998 -7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.643 -4.769 -6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.165 -6.319 -7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.614 -6.046 -5.637 1.00 0.00 H new ATOM 1509 N LYS A 94 4.501 -5.897 -5.470 1.00 0.00 N ATOM 1510 CA LYS A 94 5.810 -5.496 -5.028 1.00 0.00 C ATOM 1511 C LYS A 94 6.097 -4.082 -5.516 1.00 0.00 C ATOM 1512 O LYS A 94 5.734 -3.711 -6.636 1.00 0.00 O ATOM 1513 CB LYS A 94 6.854 -6.501 -5.510 1.00 0.00 C ATOM 1514 CG LYS A 94 7.810 -5.976 -6.551 1.00 0.00 C ATOM 1515 CD LYS A 94 9.056 -6.831 -6.549 1.00 0.00 C ATOM 1516 CE LYS A 94 10.279 -6.086 -7.052 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.303 -4.659 -6.625 1.00 0.00 N ATOM 0 H LYS A 94 4.488 -6.426 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 94 5.854 -5.486 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.429 -6.845 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.338 -7.371 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.342 -5.994 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.065 -4.938 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.244 -7.189 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.889 -7.710 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.177 -6.584 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.306 -6.135 -8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.219 -4.236 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.538 -4.141 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.169 -4.602 -5.595 1.00 0.00 H new ATOM 1531 N TRP A 95 6.722 -3.298 -4.656 1.00 0.00 N ATOM 1532 CA TRP A 95 6.967 -1.888 -4.926 1.00 0.00 C ATOM 1533 C TRP A 95 7.937 -1.720 -6.088 1.00 0.00 C ATOM 1534 O TRP A 95 9.052 -2.246 -6.067 1.00 0.00 O ATOM 1535 CB TRP A 95 7.507 -1.203 -3.660 1.00 0.00 C ATOM 1536 CG TRP A 95 7.899 0.223 -3.861 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.076 1.277 -4.130 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.225 0.752 -3.793 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.813 2.429 -4.234 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.132 2.132 -4.030 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.481 0.189 -3.553 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.245 2.961 -4.033 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.591 1.011 -3.557 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.464 2.389 -3.796 1.00 0.00 C ATOM 0 H TRP A 95 7.074 -3.617 -3.753 1.00 0.00 H new ATOM 0 HA TRP A 95 6.026 -1.415 -5.208 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.747 -1.254 -2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.372 -1.759 -3.299 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.004 1.214 -4.244 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.438 3.357 -4.431 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.582 -0.870 -3.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.151 4.021 -4.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.568 0.589 -3.374 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.348 3.010 -3.793 1.00 0.00 H new