USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 92 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 107 HIS : no HE2:sc= 1.11 K(o=2.7,f=-3!) USER MOD Set 1.3: A 111 SER OG : rot 49:sc= 1.55 USER MOD Set 2.1: A 27 THR OG1 : rot -127:sc= 1.34 USER MOD Set 2.2: A 31 THR OG1 : rot 174:sc= 2.03 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -158:sc= 2.28 (180deg=0.608) USER MOD Set 3.2: A 37 GLN : amide:sc= 1.03 K(o=3.3,f=-9.8!) USER MOD Set 4.1: A 10 THR OG1 : rot -140:sc= 1.28 USER MOD Set 4.2: A 68 ASN : amide:sc= 2.63 K(o=3.9,f=1.5) USER MOD Set 5.1: A 2 SER OG : rot 170:sc= 2.21 USER MOD Set 5.2: A 7 LYS NZ :NH3+ 167:sc= 3.27 (180deg=2.18) USER MOD Single : A 1 ILE N :NH3+ -178:sc= 2.05 (180deg=1.98) USER MOD Single : A 5 GLN : amide:sc= 0.943 K(o=0.94,f=-5.8!) USER MOD Single : A 9 THR OG1 : rot 58:sc= 0.256 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0.852 (180deg=0.852) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 29 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 38 TYR OH : rot 29:sc= 1.25 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 2.79 (180deg=1.74) USER MOD Single : A 50 SER OG : rot -133:sc= 0.949 USER MOD Single : A 51 SER OG : rot -156:sc= 1.14 USER MOD Single : A 54 SER OG : rot 180:sc= -0.122 USER MOD Single : A 56 ASN : amide:sc= -1.88! C(o=-1.9!,f=-6.7!) USER MOD Single : A 59 THR OG1 : rot -7:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot -150:sc= 1.04 USER MOD Single : A 72 SER OG : rot -35:sc= 1.03 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.623 K(o=0.62,f=-2.7!) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 0.642 (180deg=-0.654!) USER MOD Single : A 91 SER OG : rot 5:sc= 1.22 USER MOD Single : A 100 GLN : amide:sc= 0.968 K(o=0.97,f=-0.89) USER MOD Single : A 101 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.258! X(o=-0.26!,f=-0.032) USER MOD Single : A 104 HIS : no HE2:sc= 0.382 K(o=0.38,f=-3.1!) USER MOD Single : A 105 HIS : no HE2:sc= 0.183 K(o=0.18,f=-3.4!) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 1.73 (180deg=1.32) USER MOD Single : A 109 SER OG : rot 52:sc= 1 USER MOD Single : A 112 SER OG : rot 95:sc= 1.03 USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= 1.28 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.419 9.887 13.024 1.00 0.00 N ATOM 2 CA ILE A 1 -1.046 9.689 13.093 1.00 0.00 C ATOM 3 C ILE A 1 -1.345 8.233 12.744 1.00 0.00 C ATOM 4 O ILE A 1 -0.592 7.624 11.990 1.00 0.00 O ATOM 5 CB ILE A 1 -1.861 10.686 12.230 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.232 12.102 12.252 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.311 10.714 12.760 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.078 13.211 11.613 1.00 0.00 C ATOM 0 H1 ILE A 1 0.650 10.865 13.292 1.00 0.00 H new ATOM 0 H2 ILE A 1 0.889 9.229 13.678 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.748 9.706 12.054 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.374 9.905 14.110 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.853 10.358 11.191 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.030 12.375 13.288 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.271 12.061 11.740 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.902 11.411 12.166 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.744 9.716 12.687 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.311 11.035 13.802 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.546 14.160 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.260 12.972 10.565 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.030 13.290 12.137 1.00 0.00 H new ATOM 22 N SER A 2 -2.383 7.655 13.352 1.00 0.00 N ATOM 23 CA SER A 2 -2.565 6.209 13.416 1.00 0.00 C ATOM 24 C SER A 2 -4.036 5.808 13.289 1.00 0.00 C ATOM 25 O SER A 2 -4.913 6.413 13.899 1.00 0.00 O ATOM 26 CB SER A 2 -1.999 5.751 14.759 1.00 0.00 C ATOM 27 OG SER A 2 -1.777 4.362 14.809 1.00 0.00 O ATOM 0 H SER A 2 -3.123 8.182 13.815 1.00 0.00 H new ATOM 0 HA SER A 2 -2.048 5.733 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.061 6.272 14.950 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.688 6.034 15.555 1.00 0.00 H new ATOM 0 HG SER A 2 -1.265 4.141 15.615 1.00 0.00 H new ATOM 33 N GLU A 3 -4.277 4.762 12.503 1.00 0.00 N ATOM 34 CA GLU A 3 -5.550 4.091 12.239 1.00 0.00 C ATOM 35 C GLU A 3 -5.412 2.576 12.504 1.00 0.00 C ATOM 36 O GLU A 3 -4.295 2.079 12.653 1.00 0.00 O ATOM 37 CB GLU A 3 -5.975 4.384 10.784 1.00 0.00 C ATOM 38 CG GLU A 3 -5.050 3.806 9.692 1.00 0.00 C ATOM 39 CD GLU A 3 -3.645 4.430 9.689 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.476 5.498 9.056 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.749 3.878 10.379 1.00 0.00 O ATOM 0 H GLU A 3 -3.516 4.321 11.986 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.324 4.468 12.907 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.979 3.989 10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.033 5.464 10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.961 2.729 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.511 3.961 8.716 1.00 0.00 H new ATOM 48 N PHE A 4 -6.520 1.822 12.547 1.00 0.00 N ATOM 49 CA PHE A 4 -6.463 0.367 12.752 1.00 0.00 C ATOM 50 C PHE A 4 -6.206 -0.388 11.442 1.00 0.00 C ATOM 51 O PHE A 4 -5.243 -1.149 11.341 1.00 0.00 O ATOM 52 CB PHE A 4 -7.749 -0.145 13.422 1.00 0.00 C ATOM 53 CG PHE A 4 -7.812 -1.663 13.515 1.00 0.00 C ATOM 54 CD1 PHE A 4 -6.805 -2.374 14.200 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.842 -2.376 12.869 1.00 0.00 C ATOM 56 CE1 PHE A 4 -6.820 -3.780 14.228 1.00 0.00 C ATOM 57 CE2 PHE A 4 -8.861 -3.783 12.905 1.00 0.00 C ATOM 58 CZ PHE A 4 -7.850 -4.486 13.582 1.00 0.00 C ATOM 0 H PHE A 4 -7.464 2.194 12.443 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.621 0.172 13.416 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.822 0.277 14.424 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.612 0.214 12.861 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.017 -1.835 14.706 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.620 -1.841 12.344 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.040 -4.318 14.746 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.655 -4.324 12.411 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.864 -5.566 13.606 1.00 0.00 H new ATOM 68 N GLN A 5 -7.076 -0.195 10.447 1.00 0.00 N ATOM 69 CA GLN A 5 -7.175 -1.012 9.236 1.00 0.00 C ATOM 70 C GLN A 5 -5.886 -1.073 8.407 1.00 0.00 C ATOM 71 O GLN A 5 -5.624 -2.090 7.769 1.00 0.00 O ATOM 72 CB GLN A 5 -8.363 -0.545 8.371 1.00 0.00 C ATOM 73 CG GLN A 5 -8.361 0.942 7.955 1.00 0.00 C ATOM 74 CD GLN A 5 -9.095 1.855 8.942 1.00 0.00 C ATOM 75 OE1 GLN A 5 -8.747 1.963 10.112 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.133 2.544 8.509 1.00 0.00 N ATOM 0 H GLN A 5 -7.757 0.564 10.464 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.346 -2.033 9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.389 -1.154 7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.285 -0.747 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.330 1.282 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.823 1.037 6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.431 2.461 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.638 3.160 9.146 1.00 0.00 H new ATOM 85 N LEU A 6 -5.059 -0.022 8.441 1.00 0.00 N ATOM 86 CA LEU A 6 -3.767 -0.013 7.763 1.00 0.00 C ATOM 87 C LEU A 6 -2.769 -0.947 8.463 1.00 0.00 C ATOM 88 O LEU A 6 -2.089 -1.715 7.786 1.00 0.00 O ATOM 89 CB LEU A 6 -3.298 1.445 7.652 1.00 0.00 C ATOM 90 CG LEU A 6 -2.063 1.719 6.772 1.00 0.00 C ATOM 91 CD1 LEU A 6 -2.079 0.987 5.426 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.018 3.226 6.497 1.00 0.00 C ATOM 0 H LEU A 6 -5.270 0.843 8.939 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.850 -0.412 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.127 2.039 7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.085 1.810 8.657 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.191 1.354 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.176 1.233 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.118 -0.089 5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.954 1.295 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.153 3.457 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.928 3.529 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.940 3.766 7.441 1.00 0.00 H new ATOM 104 N LYS A 7 -2.748 -0.988 9.808 1.00 0.00 N ATOM 105 CA LYS A 7 -2.003 -2.012 10.565 1.00 0.00 C ATOM 106 C LYS A 7 -2.618 -3.394 10.317 1.00 0.00 C ATOM 107 O LYS A 7 -1.880 -4.328 10.021 1.00 0.00 O ATOM 108 CB LYS A 7 -1.945 -1.726 12.080 1.00 0.00 C ATOM 109 CG LYS A 7 -1.854 -0.256 12.505 1.00 0.00 C ATOM 110 CD LYS A 7 -0.652 0.522 11.949 1.00 0.00 C ATOM 111 CE LYS A 7 -0.492 1.853 12.692 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.654 2.756 12.529 1.00 0.00 N ATOM 0 H LYS A 7 -3.243 -0.318 10.397 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.976 -1.986 10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.833 -2.158 12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.084 -2.252 12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.767 0.251 12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.820 -0.212 13.594 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.255 -0.073 12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.790 0.706 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.341 1.653 13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.405 2.357 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.590 3.532 13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.656 3.148 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.533 2.223 12.688 1.00 0.00 H new ATOM 126 N GLY A 8 -3.956 -3.479 10.375 1.00 0.00 N ATOM 127 CA GLY A 8 -4.860 -4.514 9.858 1.00 0.00 C ATOM 128 C GLY A 8 -4.402 -5.966 10.008 1.00 0.00 C ATOM 129 O GLY A 8 -3.595 -6.445 9.206 1.00 0.00 O ATOM 0 H GLY A 8 -4.488 -2.741 10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.822 -4.407 10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.030 -4.319 8.799 1.00 0.00 H new ATOM 133 N THR A 9 -4.956 -6.672 11.002 1.00 0.00 N ATOM 134 CA THR A 9 -4.757 -8.099 11.308 1.00 0.00 C ATOM 135 C THR A 9 -5.365 -9.026 10.239 1.00 0.00 C ATOM 136 O THR A 9 -6.266 -9.814 10.522 1.00 0.00 O ATOM 137 CB THR A 9 -5.349 -8.427 12.695 1.00 0.00 C ATOM 138 OG1 THR A 9 -6.725 -8.131 12.700 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.685 -7.643 13.830 1.00 0.00 C ATOM 0 H THR A 9 -5.600 -6.233 11.660 1.00 0.00 H new ATOM 0 HA THR A 9 -3.682 -8.281 11.312 1.00 0.00 H new ATOM 0 HB THR A 9 -5.167 -9.487 12.869 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.173 -8.646 11.997 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.145 -7.918 14.779 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.621 -7.878 13.861 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.816 -6.574 13.659 1.00 0.00 H new ATOM 147 N THR A 10 -4.869 -8.933 9.004 1.00 0.00 N ATOM 148 CA THR A 10 -5.225 -9.779 7.855 1.00 0.00 C ATOM 149 C THR A 10 -4.713 -11.221 7.967 1.00 0.00 C ATOM 150 O THR A 10 -5.228 -12.093 7.272 1.00 0.00 O ATOM 151 CB THR A 10 -4.691 -9.136 6.555 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.426 -8.530 6.779 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.649 -8.052 6.057 1.00 0.00 C ATOM 0 H THR A 10 -4.171 -8.230 8.762 1.00 0.00 H new ATOM 0 HA THR A 10 -6.313 -9.840 7.839 1.00 0.00 H new ATOM 0 HB THR A 10 -4.602 -9.929 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.379 -7.681 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.255 -7.611 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.625 -8.493 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.750 -7.278 6.818 1.00 0.00 H new ATOM 161 N TYR A 11 -3.731 -11.491 8.839 1.00 0.00 N ATOM 162 CA TYR A 11 -3.152 -12.817 9.085 1.00 0.00 C ATOM 163 C TYR A 11 -2.431 -12.848 10.456 1.00 0.00 C ATOM 164 O TYR A 11 -2.404 -11.837 11.161 1.00 0.00 O ATOM 165 CB TYR A 11 -2.216 -13.154 7.908 1.00 0.00 C ATOM 166 CG TYR A 11 -1.914 -14.626 7.721 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.783 -15.435 6.965 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.740 -15.177 8.263 1.00 0.00 C ATOM 169 CE1 TYR A 11 -2.450 -16.781 6.713 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.401 -16.518 8.019 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.245 -17.317 7.218 1.00 0.00 C ATOM 172 OH TYR A 11 -0.880 -18.591 6.914 1.00 0.00 O ATOM 0 H TYR A 11 -3.303 -10.764 9.413 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.929 -13.579 9.138 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.662 -12.772 6.990 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.275 -12.622 8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.704 -15.025 6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.093 -14.564 8.873 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.116 -17.403 6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.501 -16.936 8.442 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.024 -18.797 7.343 1.00 0.00 H new ATOM 182 N GLY A 12 -1.826 -13.983 10.838 1.00 0.00 N ATOM 183 CA GLY A 12 -1.040 -14.138 12.072 1.00 0.00 C ATOM 184 C GLY A 12 0.411 -13.637 11.964 1.00 0.00 C ATOM 185 O GLY A 12 1.056 -13.774 10.920 1.00 0.00 O ATOM 0 H GLY A 12 -1.871 -14.839 10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.539 -13.599 12.877 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.029 -15.191 12.352 1.00 0.00 H new ATOM 189 N VAL A 13 0.936 -13.071 13.061 1.00 0.00 N ATOM 190 CA VAL A 13 2.255 -12.417 13.126 1.00 0.00 C ATOM 191 C VAL A 13 3.441 -13.395 13.164 1.00 0.00 C ATOM 192 O VAL A 13 3.884 -13.874 14.213 1.00 0.00 O ATOM 193 CB VAL A 13 2.300 -11.314 14.203 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.941 -11.761 15.626 1.00 0.00 C ATOM 195 CG2 VAL A 13 3.669 -10.625 14.206 1.00 0.00 C ATOM 0 H VAL A 13 0.442 -13.054 13.953 1.00 0.00 H new ATOM 0 HA VAL A 13 2.388 -11.905 12.173 1.00 0.00 H new ATOM 0 HB VAL A 13 1.513 -10.618 13.914 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.004 -10.908 16.302 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.926 -12.158 15.637 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.637 -12.534 15.951 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.684 -9.849 14.972 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.446 -11.360 14.418 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.852 -10.175 13.230 1.00 0.00 H new ATOM 205 N CYS A 14 3.978 -13.626 11.965 1.00 0.00 N ATOM 206 CA CYS A 14 5.234 -14.296 11.643 1.00 0.00 C ATOM 207 C CYS A 14 5.900 -13.541 10.470 1.00 0.00 C ATOM 208 O CYS A 14 5.277 -12.670 9.859 1.00 0.00 O ATOM 209 CB CYS A 14 4.943 -15.794 11.383 1.00 0.00 C ATOM 210 SG CYS A 14 5.575 -16.561 9.859 1.00 0.00 S ATOM 0 H CYS A 14 3.499 -13.320 11.118 1.00 0.00 H new ATOM 0 HA CYS A 14 5.951 -14.273 12.463 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.342 -16.358 12.226 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.861 -15.926 11.394 1.00 0.00 H new ATOM 215 N SER A 15 7.161 -13.854 10.154 1.00 0.00 N ATOM 216 CA SER A 15 7.873 -13.295 8.990 1.00 0.00 C ATOM 217 C SER A 15 9.171 -14.043 8.684 1.00 0.00 C ATOM 218 O SER A 15 9.442 -14.378 7.532 1.00 0.00 O ATOM 219 CB SER A 15 8.195 -11.814 9.219 1.00 0.00 C ATOM 220 OG SER A 15 8.951 -11.626 10.403 1.00 0.00 O ATOM 0 H SER A 15 7.724 -14.506 10.700 1.00 0.00 H new ATOM 0 HA SER A 15 7.206 -13.408 8.135 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.750 -11.425 8.366 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.268 -11.244 9.283 1.00 0.00 H new ATOM 0 HG SER A 15 9.142 -10.672 10.521 1.00 0.00 H new ATOM 226 N LYS A 16 9.956 -14.330 9.732 1.00 0.00 N ATOM 227 CA LYS A 16 11.223 -15.068 9.725 1.00 0.00 C ATOM 228 C LYS A 16 12.322 -14.394 8.898 1.00 0.00 C ATOM 229 O LYS A 16 13.251 -13.829 9.465 1.00 0.00 O ATOM 230 CB LYS A 16 10.970 -16.541 9.345 1.00 0.00 C ATOM 231 CG LYS A 16 12.203 -17.418 9.614 1.00 0.00 C ATOM 232 CD LYS A 16 12.006 -18.893 9.218 1.00 0.00 C ATOM 233 CE LYS A 16 12.451 -19.215 7.782 1.00 0.00 C ATOM 234 NZ LYS A 16 11.527 -18.685 6.756 1.00 0.00 N ATOM 0 H LYS A 16 9.702 -14.030 10.673 1.00 0.00 H new ATOM 0 HA LYS A 16 11.626 -15.053 10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.121 -16.923 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.702 -16.604 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.054 -17.013 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.453 -17.365 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.564 -19.523 9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.953 -19.152 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.446 -18.802 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.531 -20.296 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.880 -18.934 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.582 -19.098 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.468 -17.650 6.843 1.00 0.00 H new ATOM 248 N ALA A 17 12.252 -14.486 7.569 1.00 0.00 N ATOM 249 CA ALA A 17 13.382 -14.215 6.687 1.00 0.00 C ATOM 250 C ALA A 17 13.278 -12.836 6.020 1.00 0.00 C ATOM 251 O ALA A 17 12.983 -12.711 4.833 1.00 0.00 O ATOM 252 CB ALA A 17 13.555 -15.380 5.710 1.00 0.00 C ATOM 0 H ALA A 17 11.401 -14.753 7.073 1.00 0.00 H new ATOM 0 HA ALA A 17 14.298 -14.154 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.399 -15.179 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.741 -16.298 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.649 -15.494 5.115 1.00 0.00 H new ATOM 258 N PHE A 18 13.593 -11.799 6.800 1.00 0.00 N ATOM 259 CA PHE A 18 13.894 -10.456 6.307 1.00 0.00 C ATOM 260 C PHE A 18 15.308 -10.041 6.734 1.00 0.00 C ATOM 261 O PHE A 18 15.837 -10.515 7.740 1.00 0.00 O ATOM 262 CB PHE A 18 12.868 -9.443 6.842 1.00 0.00 C ATOM 263 CG PHE A 18 11.546 -9.382 6.099 1.00 0.00 C ATOM 264 CD1 PHE A 18 10.466 -10.190 6.498 1.00 0.00 C ATOM 265 CD2 PHE A 18 11.376 -8.470 5.040 1.00 0.00 C ATOM 266 CE1 PHE A 18 9.216 -10.063 5.864 1.00 0.00 C ATOM 267 CE2 PHE A 18 10.128 -8.337 4.407 1.00 0.00 C ATOM 268 CZ PHE A 18 9.043 -9.123 4.832 1.00 0.00 C ATOM 0 H PHE A 18 13.647 -11.873 7.816 1.00 0.00 H new ATOM 0 HA PHE A 18 13.839 -10.468 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.665 -9.678 7.887 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.320 -8.452 6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.596 -10.910 7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.211 -7.868 4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.390 -10.687 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.003 -7.633 3.597 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.076 -9.005 4.366 1.00 0.00 H new ATOM 278 N LYS A 19 15.885 -9.097 5.990 1.00 0.00 N ATOM 279 CA LYS A 19 17.109 -8.364 6.323 1.00 0.00 C ATOM 280 C LYS A 19 16.960 -6.911 5.844 1.00 0.00 C ATOM 281 O LYS A 19 16.428 -6.682 4.760 1.00 0.00 O ATOM 282 CB LYS A 19 18.300 -9.108 5.675 1.00 0.00 C ATOM 283 CG LYS A 19 19.507 -8.200 5.429 1.00 0.00 C ATOM 284 CD LYS A 19 20.732 -8.906 4.838 1.00 0.00 C ATOM 285 CE LYS A 19 21.834 -7.888 4.493 1.00 0.00 C ATOM 286 NZ LYS A 19 21.358 -6.837 3.556 1.00 0.00 N ATOM 0 H LYS A 19 15.493 -8.808 5.094 1.00 0.00 H new ATOM 0 HA LYS A 19 17.291 -8.323 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.599 -9.935 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.979 -9.542 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.208 -7.396 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.793 -7.736 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.115 -9.637 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.444 -9.455 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.192 -7.419 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.682 -8.410 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.172 -6.413 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.716 -7.261 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.852 -6.101 4.088 1.00 0.00 H new ATOM 300 N PHE A 20 17.471 -5.934 6.605 1.00 0.00 N ATOM 301 CA PHE A 20 17.599 -4.551 6.127 1.00 0.00 C ATOM 302 C PHE A 20 18.508 -4.467 4.888 1.00 0.00 C ATOM 303 O PHE A 20 19.580 -5.079 4.827 1.00 0.00 O ATOM 304 CB PHE A 20 18.163 -3.631 7.226 1.00 0.00 C ATOM 305 CG PHE A 20 17.158 -2.995 8.169 1.00 0.00 C ATOM 306 CD1 PHE A 20 16.163 -2.131 7.668 1.00 0.00 C ATOM 307 CD2 PHE A 20 17.297 -3.156 9.562 1.00 0.00 C ATOM 308 CE1 PHE A 20 15.309 -1.452 8.555 1.00 0.00 C ATOM 309 CE2 PHE A 20 16.448 -2.468 10.448 1.00 0.00 C ATOM 310 CZ PHE A 20 15.446 -1.623 9.944 1.00 0.00 C ATOM 0 H PHE A 20 17.804 -6.077 7.558 1.00 0.00 H new ATOM 0 HA PHE A 20 16.597 -4.217 5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.870 -4.208 7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.729 -2.833 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.057 -1.991 6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.061 -3.812 9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.544 -0.796 8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.567 -2.590 11.515 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.782 -1.106 10.621 1.00 0.00 H new ATOM 320 N LEU A 21 18.095 -3.646 3.922 1.00 0.00 N ATOM 321 CA LEU A 21 18.888 -3.251 2.759 1.00 0.00 C ATOM 322 C LEU A 21 19.192 -1.744 2.831 1.00 0.00 C ATOM 323 O LEU A 21 20.333 -1.337 2.639 1.00 0.00 O ATOM 324 CB LEU A 21 18.120 -3.667 1.488 1.00 0.00 C ATOM 325 CG LEU A 21 18.946 -3.889 0.207 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.790 -2.693 -0.231 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.849 -5.119 0.312 1.00 0.00 C ATOM 0 H LEU A 21 17.167 -3.223 3.929 1.00 0.00 H new ATOM 0 HA LEU A 21 19.854 -3.755 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.580 -4.589 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.372 -2.902 1.279 1.00 0.00 H new ATOM 0 HG LEU A 21 18.187 -4.042 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.335 -2.946 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.140 -1.839 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.499 -2.439 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.413 -5.237 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.541 -4.992 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.238 -6.006 0.480 1.00 0.00 H new ATOM 339 N GLY A 22 18.188 -0.940 3.195 1.00 0.00 N ATOM 340 CA GLY A 22 18.266 0.501 3.405 1.00 0.00 C ATOM 341 C GLY A 22 17.474 0.881 4.651 1.00 0.00 C ATOM 342 O GLY A 22 16.261 0.691 4.704 1.00 0.00 O ATOM 0 H GLY A 22 17.249 -1.302 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.306 0.806 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.870 1.027 2.536 1.00 0.00 H new ATOM 346 N THR A 23 18.147 1.388 5.681 1.00 0.00 N ATOM 347 CA THR A 23 17.487 1.909 6.883 1.00 0.00 C ATOM 348 C THR A 23 16.617 3.142 6.556 1.00 0.00 C ATOM 349 O THR A 23 16.819 3.766 5.510 1.00 0.00 O ATOM 350 CB THR A 23 18.553 2.225 7.943 1.00 0.00 C ATOM 351 OG1 THR A 23 19.591 3.013 7.413 1.00 0.00 O ATOM 352 CG2 THR A 23 19.185 0.941 8.489 1.00 0.00 C ATOM 0 H THR A 23 19.165 1.451 5.709 1.00 0.00 H new ATOM 0 HA THR A 23 16.811 1.152 7.281 1.00 0.00 H new ATOM 0 HB THR A 23 18.042 2.767 8.739 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.252 3.198 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.936 1.195 9.237 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.413 0.321 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.656 0.392 7.674 1.00 0.00 H new ATOM 360 N PRO A 24 15.629 3.508 7.404 1.00 0.00 N ATOM 361 CA PRO A 24 14.670 4.562 7.073 1.00 0.00 C ATOM 362 C PRO A 24 15.343 5.924 6.855 1.00 0.00 C ATOM 363 O PRO A 24 16.185 6.339 7.652 1.00 0.00 O ATOM 364 CB PRO A 24 13.649 4.603 8.217 1.00 0.00 C ATOM 365 CG PRO A 24 14.356 3.900 9.370 1.00 0.00 C ATOM 366 CD PRO A 24 15.259 2.889 8.669 1.00 0.00 C ATOM 0 HA PRO A 24 14.180 4.341 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.383 5.627 8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.725 4.093 7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.931 4.601 9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.647 3.410 10.037 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.141 2.668 9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.739 1.945 8.506 1.00 0.00 H new ATOM 374 N ALA A 25 14.911 6.649 5.818 1.00 0.00 N ATOM 375 CA ALA A 25 15.357 8.005 5.486 1.00 0.00 C ATOM 376 C ALA A 25 14.149 8.922 5.231 1.00 0.00 C ATOM 377 O ALA A 25 13.281 8.565 4.434 1.00 0.00 O ATOM 378 CB ALA A 25 16.277 7.925 4.261 1.00 0.00 C ATOM 0 H ALA A 25 14.215 6.294 5.163 1.00 0.00 H new ATOM 0 HA ALA A 25 15.911 8.436 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.620 8.926 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.137 7.296 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.729 7.497 3.422 1.00 0.00 H new ATOM 384 N ASP A 26 14.049 10.063 5.938 1.00 0.00 N ATOM 385 CA ASP A 26 12.888 10.958 5.826 1.00 0.00 C ATOM 386 C ASP A 26 12.804 11.598 4.431 1.00 0.00 C ATOM 387 O ASP A 26 13.792 12.097 3.890 1.00 0.00 O ATOM 388 CB ASP A 26 12.845 12.003 6.956 1.00 0.00 C ATOM 389 CG ASP A 26 11.488 12.730 7.041 1.00 0.00 C ATOM 390 OD1 ASP A 26 11.192 13.515 6.110 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.754 12.514 8.040 1.00 0.00 O ATOM 0 H ASP A 26 14.761 10.385 6.593 1.00 0.00 H new ATOM 0 HA ASP A 26 11.996 10.344 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.050 11.512 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.636 12.736 6.798 1.00 0.00 H new ATOM 396 N THR A 27 11.610 11.552 3.842 1.00 0.00 N ATOM 397 CA THR A 27 11.313 11.977 2.472 1.00 0.00 C ATOM 398 C THR A 27 11.176 13.490 2.308 1.00 0.00 C ATOM 399 O THR A 27 10.994 13.954 1.181 1.00 0.00 O ATOM 400 CB THR A 27 9.993 11.343 2.005 1.00 0.00 C ATOM 401 OG1 THR A 27 8.931 11.777 2.835 1.00 0.00 O ATOM 402 CG2 THR A 27 10.069 9.818 2.013 1.00 0.00 C ATOM 0 H THR A 27 10.784 11.202 4.328 1.00 0.00 H new ATOM 0 HA THR A 27 12.163 11.649 1.874 1.00 0.00 H new ATOM 0 HB THR A 27 9.811 11.664 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.443 10.998 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.118 9.405 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.864 9.490 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.279 9.469 3.024 1.00 0.00 H new ATOM 410 N GLY A 28 11.146 14.262 3.403 1.00 0.00 N ATOM 411 CA GLY A 28 10.766 15.678 3.391 1.00 0.00 C ATOM 412 C GLY A 28 9.279 15.925 3.094 1.00 0.00 C ATOM 413 O GLY A 28 8.810 17.048 3.243 1.00 0.00 O ATOM 0 H GLY A 28 11.388 13.915 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.010 16.117 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.366 16.198 2.644 1.00 0.00 H new ATOM 417 N HIS A 29 8.526 14.880 2.724 1.00 0.00 N ATOM 418 CA HIS A 29 7.082 14.899 2.489 1.00 0.00 C ATOM 419 C HIS A 29 6.306 14.462 3.749 1.00 0.00 C ATOM 420 O HIS A 29 5.085 14.333 3.715 1.00 0.00 O ATOM 421 CB HIS A 29 6.764 14.012 1.270 1.00 0.00 C ATOM 422 CG HIS A 29 7.387 14.492 -0.024 1.00 0.00 C ATOM 423 ND1 HIS A 29 8.726 14.472 -0.359 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.710 15.037 -1.082 1.00 0.00 C ATOM 425 CE1 HIS A 29 8.843 14.989 -1.595 1.00 0.00 C ATOM 426 NE2 HIS A 29 7.642 15.345 -2.076 1.00 0.00 N ATOM 0 H HIS A 29 8.930 13.956 2.574 1.00 0.00 H new ATOM 0 HA HIS A 29 6.758 15.917 2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.109 12.998 1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.683 13.962 1.143 1.00 0.00 H new ATOM 0 HD1 HIS A 29 9.488 14.128 0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.644 15.200 -1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.776 15.102 -2.127 1.00 0.00 H new ATOM 434 N GLY A 30 7.018 14.237 4.863 1.00 0.00 N ATOM 435 CA GLY A 30 6.482 13.854 6.170 1.00 0.00 C ATOM 436 C GLY A 30 6.736 12.391 6.545 1.00 0.00 C ATOM 437 O GLY A 30 6.534 12.037 7.705 1.00 0.00 O ATOM 0 H GLY A 30 8.034 14.323 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.922 14.495 6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.408 14.039 6.179 1.00 0.00 H new ATOM 441 N THR A 31 7.196 11.566 5.598 1.00 0.00 N ATOM 442 CA THR A 31 7.344 10.104 5.691 1.00 0.00 C ATOM 443 C THR A 31 8.819 9.676 5.754 1.00 0.00 C ATOM 444 O THR A 31 9.708 10.505 5.595 1.00 0.00 O ATOM 445 CB THR A 31 6.644 9.439 4.489 1.00 0.00 C ATOM 446 OG1 THR A 31 7.177 9.915 3.272 1.00 0.00 O ATOM 447 CG2 THR A 31 5.136 9.709 4.495 1.00 0.00 C ATOM 0 H THR A 31 7.494 11.920 4.689 1.00 0.00 H new ATOM 0 HA THR A 31 6.875 9.776 6.619 1.00 0.00 H new ATOM 0 HB THR A 31 6.817 8.367 4.578 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.791 9.410 2.526 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.676 9.225 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.699 9.311 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.959 10.783 4.445 1.00 0.00 H new ATOM 455 N VAL A 32 9.098 8.380 5.948 1.00 0.00 N ATOM 456 CA VAL A 32 10.419 7.758 5.731 1.00 0.00 C ATOM 457 C VAL A 32 10.316 6.653 4.685 1.00 0.00 C ATOM 458 O VAL A 32 9.364 5.877 4.710 1.00 0.00 O ATOM 459 CB VAL A 32 11.058 7.169 7.013 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.724 8.239 7.885 1.00 0.00 C ATOM 461 CG2 VAL A 32 10.095 6.309 7.844 1.00 0.00 C ATOM 0 H VAL A 32 8.395 7.714 6.269 1.00 0.00 H new ATOM 0 HA VAL A 32 11.068 8.565 5.390 1.00 0.00 H new ATOM 0 HB VAL A 32 11.838 6.501 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.155 7.771 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.511 8.734 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.980 8.975 8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.613 5.931 8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.243 6.914 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.744 5.471 7.242 1.00 0.00 H new ATOM 471 N VAL A 33 11.330 6.548 3.820 1.00 0.00 N ATOM 472 CA VAL A 33 11.544 5.418 2.904 1.00 0.00 C ATOM 473 C VAL A 33 12.538 4.429 3.519 1.00 0.00 C ATOM 474 O VAL A 33 13.607 4.836 3.971 1.00 0.00 O ATOM 475 CB VAL A 33 12.025 5.885 1.512 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.851 6.448 0.712 1.00 0.00 C ATOM 477 CG2 VAL A 33 13.152 6.927 1.520 1.00 0.00 C ATOM 0 H VAL A 33 12.047 7.268 3.734 1.00 0.00 H new ATOM 0 HA VAL A 33 10.586 4.919 2.759 1.00 0.00 H new ATOM 0 HB VAL A 33 12.440 4.989 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.201 6.774 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.092 5.676 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.421 7.296 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.415 7.186 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.817 7.821 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.025 6.514 2.025 1.00 0.00 H new ATOM 487 N LEU A 34 12.173 3.143 3.559 1.00 0.00 N ATOM 488 CA LEU A 34 12.881 2.051 4.235 1.00 0.00 C ATOM 489 C LEU A 34 12.911 0.825 3.317 1.00 0.00 C ATOM 490 O LEU A 34 11.884 0.448 2.763 1.00 0.00 O ATOM 491 CB LEU A 34 12.114 1.773 5.543 1.00 0.00 C ATOM 492 CG LEU A 34 12.696 0.708 6.495 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.999 0.861 7.848 1.00 0.00 C ATOM 494 CD2 LEU A 34 12.482 -0.743 6.044 1.00 0.00 C ATOM 0 H LEU A 34 11.326 2.818 3.093 1.00 0.00 H new ATOM 0 HA LEU A 34 13.916 2.305 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.036 2.710 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.100 1.472 5.281 1.00 0.00 H new ATOM 0 HG LEU A 34 13.772 0.880 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.390 0.120 8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.183 1.861 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.926 0.712 7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.924 -1.420 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.414 -0.945 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.956 -0.896 5.074 1.00 0.00 H new ATOM 506 N GLU A 35 14.066 0.180 3.158 1.00 0.00 N ATOM 507 CA GLU A 35 14.249 -0.951 2.251 1.00 0.00 C ATOM 508 C GLU A 35 14.723 -2.213 2.973 1.00 0.00 C ATOM 509 O GLU A 35 15.696 -2.193 3.734 1.00 0.00 O ATOM 510 CB GLU A 35 15.221 -0.553 1.136 1.00 0.00 C ATOM 511 CG GLU A 35 15.067 -1.466 -0.079 1.00 0.00 C ATOM 512 CD GLU A 35 15.839 -0.946 -1.284 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.081 -0.858 -1.208 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.226 -0.751 -2.358 1.00 0.00 O ATOM 0 H GLU A 35 14.914 0.433 3.664 1.00 0.00 H new ATOM 0 HA GLU A 35 13.279 -1.198 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.040 0.481 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.245 -0.605 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.418 -2.467 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.011 -1.554 -0.335 1.00 0.00 H new ATOM 521 N LEU A 36 14.066 -3.336 2.678 1.00 0.00 N ATOM 522 CA LEU A 36 14.475 -4.662 3.134 1.00 0.00 C ATOM 523 C LEU A 36 14.712 -5.583 1.932 1.00 0.00 C ATOM 524 O LEU A 36 14.271 -5.315 0.813 1.00 0.00 O ATOM 525 CB LEU A 36 13.413 -5.252 4.084 1.00 0.00 C ATOM 526 CG LEU A 36 13.151 -4.431 5.368 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.657 -4.124 5.524 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.611 -5.168 6.627 1.00 0.00 C ATOM 0 H LEU A 36 13.221 -3.348 2.106 1.00 0.00 H new ATOM 0 HA LEU A 36 15.411 -4.575 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.475 -5.352 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.723 -6.257 4.371 1.00 0.00 H new ATOM 0 HG LEU A 36 13.723 -3.509 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.497 -3.546 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.312 -3.550 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.098 -5.058 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.407 -4.553 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.073 -6.112 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.681 -5.365 6.563 1.00 0.00 H new ATOM 540 N GLN A 37 15.358 -6.718 2.189 1.00 0.00 N ATOM 541 CA GLN A 37 15.334 -7.882 1.314 1.00 0.00 C ATOM 542 C GLN A 37 14.774 -9.083 2.079 1.00 0.00 C ATOM 543 O GLN A 37 14.955 -9.201 3.295 1.00 0.00 O ATOM 544 CB GLN A 37 16.724 -8.143 0.710 1.00 0.00 C ATOM 545 CG GLN A 37 17.735 -8.671 1.739 1.00 0.00 C ATOM 546 CD GLN A 37 19.130 -8.861 1.161 1.00 0.00 C ATOM 547 OE1 GLN A 37 20.085 -8.223 1.581 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.306 -9.761 0.212 1.00 0.00 N ATOM 0 H GLN A 37 15.923 -6.854 3.027 1.00 0.00 H new ATOM 0 HA GLN A 37 14.672 -7.696 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.632 -8.863 -0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.105 -7.219 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.787 -7.977 2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.379 -9.622 2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.510 -10.294 -0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.238 -9.924 -0.170 1.00 0.00 H new ATOM 557 N TYR A 38 14.102 -9.972 1.352 1.00 0.00 N ATOM 558 CA TYR A 38 13.419 -11.132 1.910 1.00 0.00 C ATOM 559 C TYR A 38 14.286 -12.387 1.716 1.00 0.00 C ATOM 560 O TYR A 38 14.373 -12.943 0.624 1.00 0.00 O ATOM 561 CB TYR A 38 12.036 -11.204 1.267 1.00 0.00 C ATOM 562 CG TYR A 38 11.073 -12.161 1.936 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.250 -13.553 1.832 1.00 0.00 C ATOM 564 CD2 TYR A 38 9.988 -11.646 2.668 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.372 -14.431 2.491 1.00 0.00 C ATOM 566 CE2 TYR A 38 9.109 -12.518 3.332 1.00 0.00 C ATOM 567 CZ TYR A 38 9.303 -13.910 3.252 1.00 0.00 C ATOM 568 OH TYR A 38 8.448 -14.735 3.906 1.00 0.00 O ATOM 0 H TYR A 38 14.016 -9.903 0.338 1.00 0.00 H new ATOM 0 HA TYR A 38 13.272 -11.054 2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.597 -10.207 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.151 -11.497 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.064 -13.949 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.830 -10.579 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.514 -15.499 2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.284 -12.120 3.904 1.00 0.00 H new ATOM 0 HH TYR A 38 8.914 -15.562 4.150 1.00 0.00 H new ATOM 578 N THR A 39 14.987 -12.796 2.776 1.00 0.00 N ATOM 579 CA THR A 39 16.124 -13.733 2.791 1.00 0.00 C ATOM 580 C THR A 39 15.760 -15.227 2.738 1.00 0.00 C ATOM 581 O THR A 39 16.624 -16.065 2.991 1.00 0.00 O ATOM 582 CB THR A 39 17.024 -13.430 4.014 1.00 0.00 C ATOM 583 OG1 THR A 39 16.264 -13.017 5.134 1.00 0.00 O ATOM 584 CG2 THR A 39 17.999 -12.301 3.694 1.00 0.00 C ATOM 0 H THR A 39 14.764 -12.461 3.713 1.00 0.00 H new ATOM 0 HA THR A 39 16.659 -13.558 1.857 1.00 0.00 H new ATOM 0 HB THR A 39 17.554 -14.354 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.864 -12.836 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.623 -12.102 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.630 -12.592 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.441 -11.401 3.434 1.00 0.00 H new ATOM 592 N GLY A 40 14.514 -15.591 2.409 1.00 0.00 N ATOM 593 CA GLY A 40 14.070 -16.989 2.336 1.00 0.00 C ATOM 594 C GLY A 40 13.009 -17.244 1.265 1.00 0.00 C ATOM 595 O GLY A 40 12.467 -16.311 0.674 1.00 0.00 O ATOM 0 H GLY A 40 13.780 -14.919 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.933 -17.625 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.672 -17.285 3.306 1.00 0.00 H new ATOM 599 N THR A 41 12.701 -18.525 1.033 1.00 0.00 N ATOM 600 CA THR A 41 11.765 -19.013 0.001 1.00 0.00 C ATOM 601 C THR A 41 10.349 -19.278 0.535 1.00 0.00 C ATOM 602 O THR A 41 9.525 -19.842 -0.178 1.00 0.00 O ATOM 603 CB THR A 41 12.316 -20.288 -0.660 1.00 0.00 C ATOM 604 OG1 THR A 41 12.549 -21.281 0.315 1.00 0.00 O ATOM 605 CG2 THR A 41 13.630 -20.030 -1.399 1.00 0.00 C ATOM 0 H THR A 41 13.110 -19.284 1.578 1.00 0.00 H new ATOM 0 HA THR A 41 11.681 -18.213 -0.735 1.00 0.00 H new ATOM 0 HB THR A 41 11.566 -20.619 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.898 -22.088 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.982 -20.958 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.469 -19.286 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.377 -19.662 -0.695 1.00 0.00 H new ATOM 613 N ASP A 42 10.074 -18.929 1.794 1.00 0.00 N ATOM 614 CA ASP A 42 8.865 -19.285 2.538 1.00 0.00 C ATOM 615 C ASP A 42 8.372 -18.135 3.438 1.00 0.00 C ATOM 616 O ASP A 42 9.072 -17.140 3.628 1.00 0.00 O ATOM 617 CB ASP A 42 9.184 -20.521 3.395 1.00 0.00 C ATOM 618 CG ASP A 42 10.088 -20.148 4.576 1.00 0.00 C ATOM 619 OD1 ASP A 42 11.262 -19.763 4.352 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.589 -20.132 5.725 1.00 0.00 O ATOM 0 H ASP A 42 10.718 -18.364 2.347 1.00 0.00 H new ATOM 0 HA ASP A 42 8.065 -19.493 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.258 -20.961 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.673 -21.278 2.782 1.00 0.00 H new ATOM 625 N GLY A 43 7.192 -18.302 4.045 1.00 0.00 N ATOM 626 CA GLY A 43 6.650 -17.426 5.090 1.00 0.00 C ATOM 627 C GLY A 43 5.460 -16.523 4.712 1.00 0.00 C ATOM 628 O GLY A 43 5.506 -15.352 5.085 1.00 0.00 O ATOM 0 H GLY A 43 6.568 -19.075 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.345 -18.051 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.458 -16.787 5.446 1.00 0.00 H new ATOM 632 N PRO A 44 4.379 -17.006 4.052 1.00 0.00 N ATOM 633 CA PRO A 44 3.095 -16.295 4.014 1.00 0.00 C ATOM 634 C PRO A 44 2.578 -15.987 5.435 1.00 0.00 C ATOM 635 O PRO A 44 1.993 -16.853 6.089 1.00 0.00 O ATOM 636 CB PRO A 44 2.112 -17.167 3.213 1.00 0.00 C ATOM 637 CG PRO A 44 2.978 -18.235 2.553 1.00 0.00 C ATOM 638 CD PRO A 44 4.244 -18.302 3.402 1.00 0.00 C ATOM 0 HA PRO A 44 3.208 -15.326 3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.361 -17.615 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.577 -16.577 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.467 -19.198 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.209 -17.972 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.173 -19.100 4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.115 -18.517 2.783 1.00 0.00 H new ATOM 646 N CYS A 45 2.850 -14.776 5.936 1.00 0.00 N ATOM 647 CA CYS A 45 2.611 -14.358 7.317 1.00 0.00 C ATOM 648 C CYS A 45 2.384 -12.838 7.445 1.00 0.00 C ATOM 649 O CYS A 45 2.647 -12.064 6.524 1.00 0.00 O ATOM 650 CB CYS A 45 3.796 -14.778 8.193 1.00 0.00 C ATOM 651 SG CYS A 45 3.980 -16.534 8.588 1.00 0.00 S ATOM 0 H CYS A 45 3.258 -14.034 5.367 1.00 0.00 H new ATOM 0 HA CYS A 45 1.698 -14.850 7.652 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.710 -14.450 7.698 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.728 -14.230 9.133 1.00 0.00 H new ATOM 656 N LYS A 46 1.916 -12.373 8.612 1.00 0.00 N ATOM 657 CA LYS A 46 1.677 -10.951 8.889 1.00 0.00 C ATOM 658 C LYS A 46 2.977 -10.254 9.326 1.00 0.00 C ATOM 659 O LYS A 46 3.305 -10.258 10.511 1.00 0.00 O ATOM 660 CB LYS A 46 0.523 -10.842 9.900 1.00 0.00 C ATOM 661 CG LYS A 46 -0.256 -9.528 9.833 1.00 0.00 C ATOM 662 CD LYS A 46 0.425 -8.389 10.597 1.00 0.00 C ATOM 663 CE LYS A 46 -0.466 -7.146 10.619 1.00 0.00 C ATOM 664 NZ LYS A 46 -0.792 -6.675 9.257 1.00 0.00 N ATOM 0 H LYS A 46 1.690 -12.982 9.399 1.00 0.00 H new ATOM 0 HA LYS A 46 1.369 -10.419 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.168 -11.668 9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.926 -10.960 10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.377 -9.237 8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.256 -9.684 10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.641 -8.706 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.380 -8.150 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.388 -7.370 11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.036 -6.349 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.928 -5.644 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.013 -6.914 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.665 -7.135 8.930 1.00 0.00 H new ATOM 678 N VAL A 47 3.715 -9.679 8.362 1.00 0.00 N ATOM 679 CA VAL A 47 5.016 -9.019 8.582 1.00 0.00 C ATOM 680 C VAL A 47 4.945 -7.952 9.694 1.00 0.00 C ATOM 681 O VAL A 47 4.195 -6.985 9.577 1.00 0.00 O ATOM 682 CB VAL A 47 5.669 -8.479 7.284 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.749 -7.639 6.395 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.938 -7.655 7.562 1.00 0.00 C ATOM 0 H VAL A 47 3.419 -9.659 7.386 1.00 0.00 H new ATOM 0 HA VAL A 47 5.686 -9.803 8.934 1.00 0.00 H new ATOM 0 HB VAL A 47 5.914 -9.392 6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.298 -7.308 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.894 -8.240 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.399 -6.770 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.356 -7.301 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.687 -6.801 8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.672 -8.278 8.072 1.00 0.00 H new ATOM 694 N PRO A 48 5.718 -8.098 10.784 1.00 0.00 N ATOM 695 CA PRO A 48 5.727 -7.154 11.890 1.00 0.00 C ATOM 696 C PRO A 48 6.623 -5.945 11.587 1.00 0.00 C ATOM 697 O PRO A 48 7.804 -5.926 11.931 1.00 0.00 O ATOM 698 CB PRO A 48 6.242 -7.967 13.071 1.00 0.00 C ATOM 699 CG PRO A 48 7.262 -8.891 12.409 1.00 0.00 C ATOM 700 CD PRO A 48 6.597 -9.219 11.081 1.00 0.00 C ATOM 0 HA PRO A 48 4.743 -6.729 12.087 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.700 -7.334 13.832 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.444 -8.526 13.559 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.225 -8.399 12.270 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.444 -9.786 13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.340 -9.351 10.295 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.034 -10.150 11.146 1.00 0.00 H new ATOM 708 N ILE A 49 6.055 -4.910 10.970 1.00 0.00 N ATOM 709 CA ILE A 49 6.694 -3.593 10.897 1.00 0.00 C ATOM 710 C ILE A 49 5.756 -2.522 11.460 1.00 0.00 C ATOM 711 O ILE A 49 4.535 -2.615 11.314 1.00 0.00 O ATOM 712 CB ILE A 49 7.250 -3.307 9.483 1.00 0.00 C ATOM 713 CG1 ILE A 49 8.036 -1.980 9.490 1.00 0.00 C ATOM 714 CG2 ILE A 49 6.154 -3.306 8.404 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.977 -1.791 8.297 1.00 0.00 C ATOM 0 H ILE A 49 5.146 -4.957 10.509 1.00 0.00 H new ATOM 0 HA ILE A 49 7.578 -3.575 11.535 1.00 0.00 H new ATOM 0 HB ILE A 49 7.927 -4.120 9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.327 -1.153 9.511 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.619 -1.923 10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.601 -3.100 7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.666 -4.280 8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.417 -2.537 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.488 -0.832 8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.714 -2.594 8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.401 -1.812 7.372 1.00 0.00 H new ATOM 727 N SER A 50 6.339 -1.532 12.141 1.00 0.00 N ATOM 728 CA SER A 50 5.628 -0.543 12.951 1.00 0.00 C ATOM 729 C SER A 50 6.333 0.822 12.945 1.00 0.00 C ATOM 730 O SER A 50 7.541 0.911 12.713 1.00 0.00 O ATOM 731 CB SER A 50 5.562 -1.113 14.366 1.00 0.00 C ATOM 732 OG SER A 50 4.982 -0.210 15.276 1.00 0.00 O ATOM 0 H SER A 50 7.350 -1.394 12.143 1.00 0.00 H new ATOM 0 HA SER A 50 4.633 -0.365 12.544 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.985 -2.038 14.357 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.568 -1.368 14.701 1.00 0.00 H new ATOM 0 HG SER A 50 5.537 -0.156 16.082 1.00 0.00 H new ATOM 738 N SER A 51 5.568 1.885 13.233 1.00 0.00 N ATOM 739 CA SER A 51 6.018 3.283 13.290 1.00 0.00 C ATOM 740 C SER A 51 5.495 3.965 14.557 1.00 0.00 C ATOM 741 O SER A 51 4.289 4.211 14.674 1.00 0.00 O ATOM 742 CB SER A 51 5.561 4.066 12.051 1.00 0.00 C ATOM 743 OG SER A 51 6.224 5.314 12.061 1.00 0.00 O ATOM 0 H SER A 51 4.574 1.789 13.442 1.00 0.00 H new ATOM 0 HA SER A 51 7.108 3.278 13.311 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.798 3.514 11.141 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.480 4.207 12.065 1.00 0.00 H new ATOM 0 HG SER A 51 5.704 5.965 11.545 1.00 0.00 H new ATOM 749 N VAL A 52 6.379 4.244 15.525 1.00 0.00 N ATOM 750 CA VAL A 52 6.011 4.829 16.829 1.00 0.00 C ATOM 751 C VAL A 52 6.905 6.017 17.203 1.00 0.00 C ATOM 752 O VAL A 52 7.901 6.279 16.537 1.00 0.00 O ATOM 753 CB VAL A 52 5.976 3.750 17.934 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.028 2.606 17.568 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.351 3.158 18.254 1.00 0.00 C ATOM 0 H VAL A 52 7.379 4.070 15.427 1.00 0.00 H new ATOM 0 HA VAL A 52 5.001 5.228 16.735 1.00 0.00 H new ATOM 0 HB VAL A 52 5.617 4.269 18.822 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.027 1.864 18.367 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.019 2.998 17.435 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.361 2.140 16.641 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.251 2.408 19.038 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.765 2.694 17.359 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.018 3.950 18.593 1.00 0.00 H new ATOM 765 N ALA A 53 6.553 6.749 18.266 1.00 0.00 N ATOM 766 CA ALA A 53 7.177 8.035 18.609 1.00 0.00 C ATOM 767 C ALA A 53 8.223 7.958 19.739 1.00 0.00 C ATOM 768 O ALA A 53 8.952 8.917 19.985 1.00 0.00 O ATOM 769 CB ALA A 53 6.064 9.028 18.953 1.00 0.00 C ATOM 0 H ALA A 53 5.822 6.465 18.918 1.00 0.00 H new ATOM 0 HA ALA A 53 7.745 8.366 17.740 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.503 9.992 19.211 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.405 9.148 18.093 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.490 8.652 19.800 1.00 0.00 H new ATOM 775 N SER A 54 8.304 6.847 20.478 1.00 0.00 N ATOM 776 CA SER A 54 9.203 6.693 21.637 1.00 0.00 C ATOM 777 C SER A 54 9.601 5.228 21.886 1.00 0.00 C ATOM 778 O SER A 54 9.827 4.825 23.023 1.00 0.00 O ATOM 779 CB SER A 54 8.537 7.329 22.865 1.00 0.00 C ATOM 780 OG SER A 54 8.403 8.722 22.651 1.00 0.00 O ATOM 0 H SER A 54 7.742 6.017 20.290 1.00 0.00 H new ATOM 0 HA SER A 54 10.139 7.210 21.427 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.559 6.879 23.037 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.136 7.142 23.756 1.00 0.00 H new ATOM 0 HG SER A 54 7.977 9.133 23.432 1.00 0.00 H new ATOM 786 N LEU A 55 9.620 4.412 20.821 1.00 0.00 N ATOM 787 CA LEU A 55 9.734 2.940 20.830 1.00 0.00 C ATOM 788 C LEU A 55 8.647 2.253 21.687 1.00 0.00 C ATOM 789 O LEU A 55 8.717 1.066 21.997 1.00 0.00 O ATOM 790 CB LEU A 55 11.197 2.510 21.095 1.00 0.00 C ATOM 791 CG LEU A 55 11.712 1.413 20.129 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.233 1.498 19.976 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.370 -0.013 20.568 1.00 0.00 C ATOM 0 H LEU A 55 9.552 4.781 19.873 1.00 0.00 H new ATOM 0 HA LEU A 55 9.506 2.560 19.834 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.843 3.384 21.014 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.279 2.146 22.119 1.00 0.00 H new ATOM 0 HG LEU A 55 11.202 1.609 19.186 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.574 0.719 19.294 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.504 2.475 19.576 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.705 1.360 20.949 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.764 -0.722 19.840 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.814 -0.210 21.544 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.288 -0.124 20.633 1.00 0.00 H new ATOM 805 N ASN A 56 7.573 2.990 21.989 1.00 0.00 N ATOM 806 CA ASN A 56 6.304 2.556 22.559 1.00 0.00 C ATOM 807 C ASN A 56 5.496 1.687 21.573 1.00 0.00 C ATOM 808 O ASN A 56 4.321 1.951 21.316 1.00 0.00 O ATOM 809 CB ASN A 56 5.548 3.826 22.996 1.00 0.00 C ATOM 810 CG ASN A 56 5.190 4.749 21.831 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.052 5.332 21.181 1.00 0.00 O ATOM 812 ND2 ASN A 56 3.916 4.896 21.535 1.00 0.00 N ATOM 0 H ASN A 56 7.576 3.996 21.824 1.00 0.00 H new ATOM 0 HA ASN A 56 6.470 1.911 23.422 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.634 3.536 23.514 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.159 4.376 23.711 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.639 5.498 20.760 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.206 4.408 22.081 1.00 0.00 H new ATOM 819 N ASP A 57 6.115 0.639 21.021 1.00 0.00 N ATOM 820 CA ASP A 57 5.552 -0.207 19.959 1.00 0.00 C ATOM 821 C ASP A 57 4.199 -0.842 20.341 1.00 0.00 C ATOM 822 O ASP A 57 3.330 -1.068 19.503 1.00 0.00 O ATOM 823 CB ASP A 57 6.607 -1.251 19.559 1.00 0.00 C ATOM 824 CG ASP A 57 6.413 -1.761 18.130 1.00 0.00 C ATOM 825 OD1 ASP A 57 5.963 -0.950 17.284 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.763 -2.931 17.877 1.00 0.00 O ATOM 0 H ASP A 57 7.049 0.346 21.308 1.00 0.00 H new ATOM 0 HA ASP A 57 5.319 0.418 19.097 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.601 -0.813 19.653 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.562 -2.092 20.251 1.00 0.00 H new ATOM 831 N LEU A 58 3.998 -1.000 21.652 1.00 0.00 N ATOM 832 CA LEU A 58 2.764 -1.299 22.375 1.00 0.00 C ATOM 833 C LEU A 58 1.576 -0.344 22.118 1.00 0.00 C ATOM 834 O LEU A 58 0.459 -0.652 22.534 1.00 0.00 O ATOM 835 CB LEU A 58 3.129 -1.388 23.873 1.00 0.00 C ATOM 836 CG LEU A 58 3.750 -0.105 24.485 1.00 0.00 C ATOM 837 CD1 LEU A 58 2.717 0.770 25.195 1.00 0.00 C ATOM 838 CD2 LEU A 58 4.861 -0.459 25.478 1.00 0.00 C ATOM 0 H LEU A 58 4.781 -0.912 22.300 1.00 0.00 H new ATOM 0 HA LEU A 58 2.378 -2.244 21.993 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.229 -1.639 24.434 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.830 -2.211 24.010 1.00 0.00 H new ATOM 0 HG LEU A 58 4.159 0.461 23.648 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.208 1.653 25.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.950 1.077 24.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.256 0.204 26.004 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.282 0.456 25.895 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.449 -1.068 26.283 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.644 -1.017 24.964 1.00 0.00 H new ATOM 850 N THR A 59 1.747 0.808 21.455 1.00 0.00 N ATOM 851 CA THR A 59 0.634 1.621 20.923 1.00 0.00 C ATOM 852 C THR A 59 1.091 2.463 19.714 1.00 0.00 C ATOM 853 O THR A 59 1.654 3.544 19.904 1.00 0.00 O ATOM 854 CB THR A 59 -0.012 2.489 22.018 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.580 1.651 23.000 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.175 3.333 21.490 1.00 0.00 C ATOM 0 H THR A 59 2.666 1.209 21.269 1.00 0.00 H new ATOM 0 HA THR A 59 -0.137 0.936 20.571 1.00 0.00 H new ATOM 0 HB THR A 59 0.778 3.135 22.401 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.531 0.719 22.703 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.594 3.925 22.304 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.815 3.998 20.705 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.946 2.677 21.085 1.00 0.00 H new ATOM 864 N PRO A 60 0.877 1.981 18.470 1.00 0.00 N ATOM 865 CA PRO A 60 1.299 2.642 17.232 1.00 0.00 C ATOM 866 C PRO A 60 0.836 4.095 17.042 1.00 0.00 C ATOM 867 O PRO A 60 -0.364 4.352 16.924 1.00 0.00 O ATOM 868 CB PRO A 60 0.817 1.743 16.091 1.00 0.00 C ATOM 869 CG PRO A 60 0.826 0.359 16.727 1.00 0.00 C ATOM 870 CD PRO A 60 0.375 0.649 18.155 1.00 0.00 C ATOM 0 HA PRO A 60 2.383 2.753 17.261 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.178 2.024 15.747 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.479 1.796 15.227 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.147 -0.326 16.218 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.817 -0.094 16.699 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.711 0.612 18.237 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.772 -0.092 18.848 1.00 0.00 H new ATOM 878 N VAL A 61 1.794 5.030 16.951 1.00 0.00 N ATOM 879 CA VAL A 61 1.573 6.489 16.820 1.00 0.00 C ATOM 880 C VAL A 61 1.619 6.973 15.356 1.00 0.00 C ATOM 881 O VAL A 61 0.997 7.980 15.007 1.00 0.00 O ATOM 882 CB VAL A 61 2.608 7.283 17.661 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.133 8.720 17.934 1.00 0.00 C ATOM 884 CG2 VAL A 61 2.911 6.637 19.023 1.00 0.00 C ATOM 0 H VAL A 61 2.785 4.787 16.967 1.00 0.00 H new ATOM 0 HA VAL A 61 0.569 6.678 17.199 1.00 0.00 H new ATOM 0 HB VAL A 61 3.514 7.280 17.054 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.883 9.245 18.525 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.987 9.241 16.988 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.192 8.694 18.483 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.642 7.243 19.559 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.993 6.574 19.608 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.313 5.636 18.869 1.00 0.00 H new ATOM 894 N GLY A 62 2.337 6.255 14.488 1.00 0.00 N ATOM 895 CA GLY A 62 2.432 6.475 13.046 1.00 0.00 C ATOM 896 C GLY A 62 1.752 5.355 12.254 1.00 0.00 C ATOM 897 O GLY A 62 0.969 4.575 12.806 1.00 0.00 O ATOM 0 H GLY A 62 2.899 5.460 14.792 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.972 7.430 12.793 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.481 6.540 12.757 1.00 0.00 H new ATOM 901 N ARG A 63 2.061 5.263 10.952 1.00 0.00 N ATOM 902 CA ARG A 63 1.548 4.197 10.078 1.00 0.00 C ATOM 903 C ARG A 63 2.589 3.643 9.100 1.00 0.00 C ATOM 904 O ARG A 63 3.679 4.195 8.945 1.00 0.00 O ATOM 905 CB ARG A 63 0.270 4.673 9.357 1.00 0.00 C ATOM 906 CG ARG A 63 0.503 5.664 8.197 1.00 0.00 C ATOM 907 CD ARG A 63 0.060 7.088 8.529 1.00 0.00 C ATOM 908 NE ARG A 63 -1.398 7.194 8.660 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.141 8.285 8.581 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.654 9.492 8.406 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.435 8.128 8.678 1.00 0.00 N ATOM 0 H ARG A 63 2.673 5.925 10.475 1.00 0.00 H new ATOM 0 HA ARG A 63 1.297 3.353 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.256 3.801 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.388 5.142 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.562 5.670 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.038 5.317 7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.532 7.407 9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.404 7.766 7.748 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.898 6.322 8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.647 9.628 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.283 10.293 8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.827 7.195 8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.053 8.938 8.623 1.00 0.00 H new ATOM 925 N LEU A 64 2.195 2.570 8.411 1.00 0.00 N ATOM 926 CA LEU A 64 2.858 1.978 7.255 1.00 0.00 C ATOM 927 C LEU A 64 2.191 2.574 6.005 1.00 0.00 C ATOM 928 O LEU A 64 1.043 2.254 5.721 1.00 0.00 O ATOM 929 CB LEU A 64 2.727 0.434 7.279 1.00 0.00 C ATOM 930 CG LEU A 64 3.079 -0.329 8.576 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.360 0.166 9.241 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.951 -0.324 9.616 1.00 0.00 C ATOM 0 H LEU A 64 1.349 2.061 8.665 1.00 0.00 H new ATOM 0 HA LEU A 64 3.925 2.200 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.697 0.187 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.358 0.038 6.483 1.00 0.00 H new ATOM 0 HG LEU A 64 3.233 -1.352 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.547 -0.413 10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.197 0.046 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.252 1.219 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.268 -0.878 10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.719 0.704 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.064 -0.794 9.192 1.00 0.00 H new ATOM 944 N VAL A 65 2.853 3.504 5.309 1.00 0.00 N ATOM 945 CA VAL A 65 2.251 4.285 4.213 1.00 0.00 C ATOM 946 C VAL A 65 2.018 3.397 2.989 1.00 0.00 C ATOM 947 O VAL A 65 0.933 3.421 2.416 1.00 0.00 O ATOM 948 CB VAL A 65 3.151 5.478 3.836 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.622 6.302 2.654 1.00 0.00 C ATOM 950 CG2 VAL A 65 3.365 6.434 5.014 1.00 0.00 C ATOM 0 H VAL A 65 3.829 3.741 5.488 1.00 0.00 H new ATOM 0 HA VAL A 65 1.291 4.669 4.557 1.00 0.00 H new ATOM 0 HB VAL A 65 4.094 5.016 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.308 7.124 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.543 5.665 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.639 6.703 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.005 7.259 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.403 6.826 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.839 5.898 5.836 1.00 0.00 H new ATOM 960 N THR A 66 3.039 2.627 2.584 1.00 0.00 N ATOM 961 CA THR A 66 3.026 1.841 1.340 1.00 0.00 C ATOM 962 C THR A 66 1.899 0.806 1.278 1.00 0.00 C ATOM 963 O THR A 66 1.247 0.709 0.241 1.00 0.00 O ATOM 964 CB THR A 66 4.401 1.187 1.112 1.00 0.00 C ATOM 965 OG1 THR A 66 5.294 2.165 0.639 1.00 0.00 O ATOM 966 CG2 THR A 66 4.458 0.046 0.095 1.00 0.00 C ATOM 0 H THR A 66 3.905 2.531 3.115 1.00 0.00 H new ATOM 0 HA THR A 66 2.821 2.540 0.529 1.00 0.00 H new ATOM 0 HB THR A 66 4.652 0.761 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.965 1.744 0.062 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.479 -0.329 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.797 -0.759 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.139 0.412 -0.881 1.00 0.00 H new ATOM 974 N VAL A 67 1.694 -0.004 2.329 1.00 0.00 N ATOM 975 CA VAL A 67 0.736 -1.123 2.302 1.00 0.00 C ATOM 976 C VAL A 67 0.375 -1.607 3.715 1.00 0.00 C ATOM 977 O VAL A 67 1.123 -1.375 4.665 1.00 0.00 O ATOM 978 CB VAL A 67 1.321 -2.270 1.435 1.00 0.00 C ATOM 979 CG1 VAL A 67 2.494 -3.010 2.097 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.254 -3.274 0.983 1.00 0.00 C ATOM 0 H VAL A 67 2.185 0.097 3.218 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.196 -0.777 1.856 1.00 0.00 H new ATOM 0 HB VAL A 67 1.714 -1.765 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.850 -3.797 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.304 -2.307 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.162 -3.452 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.720 -4.054 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.216 -3.724 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.502 -2.759 0.389 1.00 0.00 H new ATOM 990 N ASN A 68 -0.739 -2.345 3.840 1.00 0.00 N ATOM 991 CA ASN A 68 -1.030 -3.194 4.998 1.00 0.00 C ATOM 992 C ASN A 68 0.097 -4.231 5.174 1.00 0.00 C ATOM 993 O ASN A 68 0.344 -4.998 4.241 1.00 0.00 O ATOM 994 CB ASN A 68 -2.406 -3.873 4.824 1.00 0.00 C ATOM 995 CG ASN A 68 -2.745 -4.864 5.940 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.942 -6.057 5.734 1.00 0.00 O ATOM 997 ND2 ASN A 68 -2.813 -4.402 7.170 1.00 0.00 N ATOM 0 H ASN A 68 -1.470 -2.367 3.129 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.074 -2.584 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.178 -3.105 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.426 -4.395 3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.028 -5.034 7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.651 -3.412 7.352 1.00 0.00 H new ATOM 1004 N PRO A 69 0.804 -4.268 6.321 1.00 0.00 N ATOM 1005 CA PRO A 69 1.996 -5.091 6.477 1.00 0.00 C ATOM 1006 C PRO A 69 1.620 -6.576 6.632 1.00 0.00 C ATOM 1007 O PRO A 69 1.456 -7.086 7.740 1.00 0.00 O ATOM 1008 CB PRO A 69 2.734 -4.477 7.671 1.00 0.00 C ATOM 1009 CG PRO A 69 1.607 -3.944 8.547 1.00 0.00 C ATOM 1010 CD PRO A 69 0.604 -3.446 7.510 1.00 0.00 C ATOM 0 HA PRO A 69 2.651 -5.092 5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.335 -5.219 8.197 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.411 -3.682 7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.183 -4.721 9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.946 -3.143 9.204 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.417 -3.539 7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.767 -2.392 7.286 1.00 0.00 H new ATOM 1018 N PHE A 70 1.439 -7.267 5.504 1.00 0.00 N ATOM 1019 CA PHE A 70 1.108 -8.691 5.409 1.00 0.00 C ATOM 1020 C PHE A 70 1.741 -9.305 4.149 1.00 0.00 C ATOM 1021 O PHE A 70 1.539 -8.823 3.036 1.00 0.00 O ATOM 1022 CB PHE A 70 -0.423 -8.849 5.485 1.00 0.00 C ATOM 1023 CG PHE A 70 -1.058 -9.962 4.669 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -0.836 -11.316 4.990 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -1.914 -9.631 3.601 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.471 -12.331 4.248 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.550 -10.643 2.864 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.333 -11.993 3.190 1.00 0.00 C ATOM 0 H PHE A 70 1.523 -6.827 4.587 1.00 0.00 H new ATOM 0 HA PHE A 70 1.530 -9.249 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.693 -9.003 6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.874 -7.906 5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.178 -11.576 5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.082 -8.595 3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.296 -13.368 4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.206 -10.384 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.828 -12.771 2.628 1.00 0.00 H new ATOM 1038 N VAL A 71 2.541 -10.362 4.337 1.00 0.00 N ATOM 1039 CA VAL A 71 3.194 -11.128 3.274 1.00 0.00 C ATOM 1040 C VAL A 71 2.224 -12.207 2.794 1.00 0.00 C ATOM 1041 O VAL A 71 2.067 -13.251 3.424 1.00 0.00 O ATOM 1042 CB VAL A 71 4.539 -11.712 3.759 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.135 -12.711 2.763 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.553 -10.574 3.938 1.00 0.00 C ATOM 0 H VAL A 71 2.758 -10.718 5.268 1.00 0.00 H new ATOM 0 HA VAL A 71 3.437 -10.478 2.433 1.00 0.00 H new ATOM 0 HB VAL A 71 4.341 -12.229 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.080 -13.092 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.441 -13.539 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.309 -12.214 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.503 -10.984 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.700 -10.064 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.177 -9.864 4.675 1.00 0.00 H new ATOM 1054 N SER A 72 1.545 -11.934 1.678 1.00 0.00 N ATOM 1055 CA SER A 72 0.494 -12.796 1.135 1.00 0.00 C ATOM 1056 C SER A 72 0.983 -14.072 0.426 1.00 0.00 C ATOM 1057 O SER A 72 0.134 -14.840 -0.030 1.00 0.00 O ATOM 1058 CB SER A 72 -0.364 -11.972 0.169 1.00 0.00 C ATOM 1059 OG SER A 72 -1.468 -12.740 -0.260 1.00 0.00 O ATOM 0 H SER A 72 1.712 -11.097 1.119 1.00 0.00 H new ATOM 0 HA SER A 72 -0.074 -13.152 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.710 -11.063 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.232 -11.663 -0.690 1.00 0.00 H new ATOM 0 HG SER A 72 -1.200 -13.679 -0.345 1.00 0.00 H new ATOM 1065 N VAL A 73 2.297 -14.287 0.259 1.00 0.00 N ATOM 1066 CA VAL A 73 2.832 -15.396 -0.551 1.00 0.00 C ATOM 1067 C VAL A 73 4.256 -15.795 -0.147 1.00 0.00 C ATOM 1068 O VAL A 73 5.021 -14.985 0.370 1.00 0.00 O ATOM 1069 CB VAL A 73 2.854 -15.070 -2.072 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.110 -16.158 -2.856 1.00 0.00 C ATOM 1071 CG2 VAL A 73 2.328 -13.692 -2.505 1.00 0.00 C ATOM 0 H VAL A 73 3.018 -13.700 0.679 1.00 0.00 H new ATOM 0 HA VAL A 73 2.149 -16.223 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 73 3.918 -15.041 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.132 -15.919 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.593 -17.121 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.075 -16.208 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.401 -13.599 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.286 -13.588 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.923 -12.911 -2.032 1.00 0.00 H new ATOM 1081 N ALA A 74 4.645 -17.025 -0.508 1.00 0.00 N ATOM 1082 CA ALA A 74 6.018 -17.525 -0.434 1.00 0.00 C ATOM 1083 C ALA A 74 6.964 -16.858 -1.455 1.00 0.00 C ATOM 1084 O ALA A 74 8.178 -16.894 -1.275 1.00 0.00 O ATOM 1085 CB ALA A 74 5.974 -19.041 -0.659 1.00 0.00 C ATOM 0 H ALA A 74 3.990 -17.718 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 74 6.423 -17.279 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.985 -19.446 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.359 -19.506 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.546 -19.251 -1.639 1.00 0.00 H new ATOM 1091 N THR A 75 6.416 -16.228 -2.506 1.00 0.00 N ATOM 1092 CA THR A 75 7.148 -15.544 -3.585 1.00 0.00 C ATOM 1093 C THR A 75 7.628 -14.133 -3.220 1.00 0.00 C ATOM 1094 O THR A 75 8.239 -13.458 -4.046 1.00 0.00 O ATOM 1095 CB THR A 75 6.303 -15.458 -4.866 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.109 -14.755 -4.620 1.00 0.00 O ATOM 1097 CG2 THR A 75 5.922 -16.835 -5.410 1.00 0.00 C ATOM 0 H THR A 75 5.405 -16.179 -2.633 1.00 0.00 H new ATOM 0 HA THR A 75 8.032 -16.159 -3.750 1.00 0.00 H new ATOM 0 HB THR A 75 6.921 -14.943 -5.602 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.582 -14.707 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.326 -16.717 -6.315 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.826 -17.397 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.342 -17.374 -4.661 1.00 0.00 H new ATOM 1105 N ALA A 76 7.401 -13.672 -1.984 1.00 0.00 N ATOM 1106 CA ALA A 76 7.799 -12.355 -1.481 1.00 0.00 C ATOM 1107 C ALA A 76 9.323 -12.120 -1.364 1.00 0.00 C ATOM 1108 O ALA A 76 9.732 -11.139 -0.750 1.00 0.00 O ATOM 1109 CB ALA A 76 7.091 -12.144 -0.142 1.00 0.00 C ATOM 0 H ALA A 76 6.916 -14.229 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 76 7.494 -11.614 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.364 -11.170 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.012 -12.186 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.392 -12.926 0.556 1.00 0.00 H new ATOM 1115 N ASN A 77 10.157 -12.971 -1.979 1.00 0.00 N ATOM 1116 CA ASN A 77 11.631 -13.075 -1.949 1.00 0.00 C ATOM 1117 C ASN A 77 12.383 -11.833 -2.498 1.00 0.00 C ATOM 1118 O ASN A 77 13.554 -11.914 -2.867 1.00 0.00 O ATOM 1119 CB ASN A 77 12.059 -14.357 -2.701 1.00 0.00 C ATOM 1120 CG ASN A 77 11.039 -15.482 -2.630 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.389 -15.797 -3.612 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.785 -16.039 -1.467 1.00 0.00 N ATOM 0 H ASN A 77 9.770 -13.694 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 77 11.919 -13.126 -0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.240 -14.110 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.004 -14.710 -2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.044 -16.735 -1.386 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.329 -15.775 -0.646 1.00 0.00 H new ATOM 1129 N ALA A 78 11.694 -10.698 -2.616 1.00 0.00 N ATOM 1130 CA ALA A 78 12.122 -9.464 -3.249 1.00 0.00 C ATOM 1131 C ALA A 78 13.126 -8.645 -2.413 1.00 0.00 C ATOM 1132 O ALA A 78 13.387 -8.902 -1.235 1.00 0.00 O ATOM 1133 CB ALA A 78 10.849 -8.647 -3.527 1.00 0.00 C ATOM 0 H ALA A 78 10.749 -10.618 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 78 12.663 -9.707 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.118 -7.705 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.190 -9.213 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.335 -8.443 -2.588 1.00 0.00 H new ATOM 1139 N LYS A 79 13.626 -7.588 -3.061 1.00 0.00 N ATOM 1140 CA LYS A 79 14.381 -6.459 -2.522 1.00 0.00 C ATOM 1141 C LYS A 79 13.467 -5.238 -2.675 1.00 0.00 C ATOM 1142 O LYS A 79 13.168 -4.843 -3.800 1.00 0.00 O ATOM 1143 CB LYS A 79 15.707 -6.385 -3.300 1.00 0.00 C ATOM 1144 CG LYS A 79 16.692 -5.301 -2.846 1.00 0.00 C ATOM 1145 CD LYS A 79 16.313 -3.890 -3.322 1.00 0.00 C ATOM 1146 CE LYS A 79 17.548 -2.984 -3.347 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.224 -1.654 -3.907 1.00 0.00 N ATOM 0 H LYS A 79 13.499 -7.495 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 79 14.653 -6.537 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.203 -7.353 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.479 -6.223 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.749 -5.306 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.687 -5.546 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.872 -3.942 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.557 -3.467 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.939 -2.870 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.333 -3.451 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.919 -0.957 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.253 -1.698 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.272 -1.370 -3.599 1.00 0.00 H new ATOM 1161 N VAL A 80 12.924 -4.740 -1.561 1.00 0.00 N ATOM 1162 CA VAL A 80 11.656 -3.995 -1.522 1.00 0.00 C ATOM 1163 C VAL A 80 11.700 -2.773 -0.594 1.00 0.00 C ATOM 1164 O VAL A 80 11.942 -2.881 0.611 1.00 0.00 O ATOM 1165 CB VAL A 80 10.484 -4.955 -1.208 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.707 -5.864 0.013 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.159 -4.201 -1.037 1.00 0.00 C ATOM 0 H VAL A 80 13.358 -4.843 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 80 11.487 -3.575 -2.514 1.00 0.00 H new ATOM 0 HB VAL A 80 10.436 -5.604 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.835 -6.501 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.587 -6.485 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.857 -5.250 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.362 -4.911 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.248 -3.490 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.924 -3.665 -1.956 1.00 0.00 H new ATOM 1177 N LEU A 81 11.464 -1.602 -1.201 1.00 0.00 N ATOM 1178 CA LEU A 81 11.365 -0.273 -0.595 1.00 0.00 C ATOM 1179 C LEU A 81 9.909 -0.001 -0.172 1.00 0.00 C ATOM 1180 O LEU A 81 8.982 -0.177 -0.961 1.00 0.00 O ATOM 1181 CB LEU A 81 11.882 0.732 -1.650 1.00 0.00 C ATOM 1182 CG LEU A 81 12.150 2.197 -1.247 1.00 0.00 C ATOM 1183 CD1 LEU A 81 10.921 2.957 -0.751 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.277 2.329 -0.224 1.00 0.00 C ATOM 0 H LEU A 81 11.327 -1.560 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 81 11.964 -0.183 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.812 0.331 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.160 0.746 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 81 12.457 2.664 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.204 3.977 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.166 2.980 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.515 2.458 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.423 3.381 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.016 1.777 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.198 1.924 -0.643 1.00 0.00 H new ATOM 1196 N ILE A 82 9.719 0.420 1.081 1.00 0.00 N ATOM 1197 CA ILE A 82 8.445 0.664 1.764 1.00 0.00 C ATOM 1198 C ILE A 82 8.503 2.053 2.424 1.00 0.00 C ATOM 1199 O ILE A 82 9.503 2.402 3.051 1.00 0.00 O ATOM 1200 CB ILE A 82 8.231 -0.470 2.804 1.00 0.00 C ATOM 1201 CG1 ILE A 82 7.936 -1.810 2.088 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.112 -0.171 3.818 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.023 -3.044 2.996 1.00 0.00 C ATOM 0 H ILE A 82 10.513 0.614 1.692 1.00 0.00 H new ATOM 0 HA ILE A 82 7.603 0.657 1.072 1.00 0.00 H new ATOM 0 HB ILE A 82 9.161 -0.540 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.938 -1.764 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.638 -1.930 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.018 -1.005 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.355 0.736 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.169 -0.032 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.802 -3.939 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.028 -3.120 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.301 -2.951 3.807 1.00 0.00 H new ATOM 1215 N GLU A 83 7.428 2.841 2.320 1.00 0.00 N ATOM 1216 CA GLU A 83 7.248 4.064 3.104 1.00 0.00 C ATOM 1217 C GLU A 83 6.506 3.808 4.422 1.00 0.00 C ATOM 1218 O GLU A 83 5.504 3.085 4.460 1.00 0.00 O ATOM 1219 CB GLU A 83 6.483 5.145 2.326 1.00 0.00 C ATOM 1220 CG GLU A 83 7.345 5.908 1.322 1.00 0.00 C ATOM 1221 CD GLU A 83 6.653 7.213 0.912 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.775 8.197 1.686 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.993 7.213 -0.147 1.00 0.00 O ATOM 0 H GLU A 83 6.654 2.646 1.685 1.00 0.00 H new ATOM 0 HA GLU A 83 8.257 4.415 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.652 4.679 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.053 5.853 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.319 6.127 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.523 5.290 0.442 1.00 0.00 H new ATOM 1230 N LEU A 84 6.943 4.505 5.477 1.00 0.00 N ATOM 1231 CA LEU A 84 6.296 4.635 6.788 1.00 0.00 C ATOM 1232 C LEU A 84 6.083 6.121 7.126 1.00 0.00 C ATOM 1233 O LEU A 84 6.772 6.987 6.594 1.00 0.00 O ATOM 1234 CB LEU A 84 7.169 3.963 7.870 1.00 0.00 C ATOM 1235 CG LEU A 84 6.815 2.503 8.184 1.00 0.00 C ATOM 1236 CD1 LEU A 84 7.038 1.546 7.011 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.682 2.016 9.338 1.00 0.00 C ATOM 0 H LEU A 84 7.817 5.029 5.435 1.00 0.00 H new ATOM 0 HA LEU A 84 5.325 4.141 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.211 4.007 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.091 4.544 8.789 1.00 0.00 H new ATOM 0 HG LEU A 84 5.752 2.496 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.766 0.534 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.420 1.854 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.088 1.568 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.435 0.979 9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.733 2.086 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.499 2.634 10.217 1.00 0.00 H new ATOM 1249 N GLU A 85 5.161 6.416 8.048 1.00 0.00 N ATOM 1250 CA GLU A 85 4.942 7.758 8.598 1.00 0.00 C ATOM 1251 C GLU A 85 5.536 7.820 10.015 1.00 0.00 C ATOM 1252 O GLU A 85 4.972 7.194 10.919 1.00 0.00 O ATOM 1253 CB GLU A 85 3.447 8.120 8.615 1.00 0.00 C ATOM 1254 CG GLU A 85 3.234 9.581 9.054 1.00 0.00 C ATOM 1255 CD GLU A 85 1.762 9.871 9.360 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.960 10.004 8.407 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.411 9.904 10.561 1.00 0.00 O ATOM 0 H GLU A 85 4.533 5.715 8.441 1.00 0.00 H new ATOM 0 HA GLU A 85 5.441 8.489 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.022 7.970 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.916 7.452 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.837 9.787 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.581 10.252 8.268 1.00 0.00 H new ATOM 1264 N PRO A 86 6.669 8.519 10.225 1.00 0.00 N ATOM 1265 CA PRO A 86 7.203 8.873 11.533 1.00 0.00 C ATOM 1266 C PRO A 86 6.667 10.250 11.988 1.00 0.00 C ATOM 1267 O PRO A 86 6.965 11.260 11.332 1.00 0.00 O ATOM 1268 CB PRO A 86 8.714 8.922 11.327 1.00 0.00 C ATOM 1269 CG PRO A 86 8.882 9.354 9.875 1.00 0.00 C ATOM 1270 CD PRO A 86 7.542 9.065 9.202 1.00 0.00 C ATOM 0 HA PRO A 86 6.913 8.162 12.306 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.186 9.629 12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.172 7.950 11.508 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.134 10.412 9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.689 8.803 9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.118 9.975 8.777 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.666 8.358 8.382 1.00 0.00 H new ATOM 1278 N PRO A 87 5.881 10.312 13.085 1.00 0.00 N ATOM 1279 CA PRO A 87 5.506 11.544 13.785 1.00 0.00 C ATOM 1280 C PRO A 87 6.653 12.530 14.089 1.00 0.00 C ATOM 1281 O PRO A 87 7.838 12.225 13.972 1.00 0.00 O ATOM 1282 CB PRO A 87 4.835 11.070 15.080 1.00 0.00 C ATOM 1283 CG PRO A 87 4.190 9.751 14.668 1.00 0.00 C ATOM 1284 CD PRO A 87 5.224 9.170 13.711 1.00 0.00 C ATOM 0 HA PRO A 87 4.858 12.132 13.135 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.559 10.932 15.883 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.096 11.787 15.437 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.016 9.099 15.524 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.226 9.904 14.182 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.944 8.550 14.245 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.749 8.535 12.963 1.00 0.00 H new ATOM 1292 N PHE A 88 6.273 13.748 14.489 1.00 0.00 N ATOM 1293 CA PHE A 88 7.199 14.846 14.770 1.00 0.00 C ATOM 1294 C PHE A 88 7.905 14.726 16.128 1.00 0.00 C ATOM 1295 O PHE A 88 7.465 14.016 17.034 1.00 0.00 O ATOM 1296 CB PHE A 88 6.438 16.175 14.659 1.00 0.00 C ATOM 1297 CG PHE A 88 5.989 16.470 13.242 1.00 0.00 C ATOM 1298 CD1 PHE A 88 6.951 16.785 12.263 1.00 0.00 C ATOM 1299 CD2 PHE A 88 4.627 16.404 12.886 1.00 0.00 C ATOM 1300 CE1 PHE A 88 6.556 17.035 10.939 1.00 0.00 C ATOM 1301 CE2 PHE A 88 4.232 16.651 11.559 1.00 0.00 C ATOM 1302 CZ PHE A 88 5.197 16.965 10.584 1.00 0.00 C ATOM 0 H PHE A 88 5.295 14.001 14.629 1.00 0.00 H new ATOM 0 HA PHE A 88 7.997 14.802 14.029 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.567 16.147 15.314 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.076 16.986 15.011 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.996 16.834 12.531 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.885 16.163 13.633 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.297 17.281 10.192 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.188 16.600 11.288 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.894 17.152 9.564 1.00 0.00 H new ATOM 1312 N GLY A 89 9.013 15.459 16.258 1.00 0.00 N ATOM 1313 CA GLY A 89 9.945 15.372 17.367 1.00 0.00 C ATOM 1314 C GLY A 89 10.857 14.167 17.176 1.00 0.00 C ATOM 1315 O GLY A 89 11.917 14.282 16.564 1.00 0.00 O ATOM 0 H GLY A 89 9.289 16.153 15.564 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.539 16.284 17.428 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.400 15.283 18.307 1.00 0.00 H new ATOM 1319 N ASP A 90 10.421 13.003 17.653 1.00 0.00 N ATOM 1320 CA ASP A 90 11.156 11.745 17.551 1.00 0.00 C ATOM 1321 C ASP A 90 10.295 10.661 16.900 1.00 0.00 C ATOM 1322 O ASP A 90 9.064 10.734 16.850 1.00 0.00 O ATOM 1323 CB ASP A 90 11.646 11.314 18.946 1.00 0.00 C ATOM 1324 CG ASP A 90 12.806 12.180 19.442 1.00 0.00 C ATOM 1325 OD1 ASP A 90 13.782 12.349 18.674 1.00 0.00 O ATOM 1326 OD2 ASP A 90 12.761 12.674 20.593 1.00 0.00 O ATOM 0 H ASP A 90 9.526 12.907 18.132 1.00 0.00 H new ATOM 0 HA ASP A 90 12.026 11.893 16.911 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.820 11.375 19.655 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.961 10.271 18.913 1.00 0.00 H new ATOM 1331 N SER A 91 10.947 9.620 16.387 1.00 0.00 N ATOM 1332 CA SER A 91 10.276 8.385 16.006 1.00 0.00 C ATOM 1333 C SER A 91 11.219 7.196 16.058 1.00 0.00 C ATOM 1334 O SER A 91 12.440 7.329 16.011 1.00 0.00 O ATOM 1335 CB SER A 91 9.645 8.518 14.618 1.00 0.00 C ATOM 1336 OG SER A 91 8.490 9.322 14.718 1.00 0.00 O ATOM 0 H SER A 91 11.954 9.611 16.225 1.00 0.00 H new ATOM 0 HA SER A 91 9.482 8.205 16.731 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.356 8.963 13.922 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.387 7.535 14.225 1.00 0.00 H new ATOM 0 HG SER A 91 8.412 9.670 15.631 1.00 0.00 H new ATOM 1342 N TYR A 92 10.618 6.016 16.150 1.00 0.00 N ATOM 1343 CA TYR A 92 11.293 4.737 16.232 1.00 0.00 C ATOM 1344 C TYR A 92 10.511 3.733 15.390 1.00 0.00 C ATOM 1345 O TYR A 92 9.287 3.609 15.490 1.00 0.00 O ATOM 1346 CB TYR A 92 11.456 4.322 17.697 1.00 0.00 C ATOM 1347 CG TYR A 92 12.318 5.289 18.495 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.722 5.156 18.488 1.00 0.00 C ATOM 1349 CD2 TYR A 92 11.727 6.381 19.161 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.521 6.100 19.160 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.520 7.331 19.831 1.00 0.00 C ATOM 1352 CZ TYR A 92 13.926 7.191 19.829 1.00 0.00 C ATOM 1353 OH TYR A 92 14.716 8.107 20.455 1.00 0.00 O ATOM 0 H TYR A 92 9.602 5.926 16.170 1.00 0.00 H new ATOM 0 HA TYR A 92 12.304 4.790 15.828 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.472 4.253 18.161 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.900 3.327 17.740 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.184 4.330 17.967 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.653 6.490 19.157 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.595 5.989 19.164 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.057 8.161 20.343 1.00 0.00 H new ATOM 0 HH TYR A 92 14.154 8.796 20.867 1.00 0.00 H new ATOM 1363 N ILE A 93 11.247 3.072 14.506 1.00 0.00 N ATOM 1364 CA ILE A 93 10.749 2.219 13.442 1.00 0.00 C ATOM 1365 C ILE A 93 11.162 0.795 13.783 1.00 0.00 C ATOM 1366 O ILE A 93 12.353 0.473 13.764 1.00 0.00 O ATOM 1367 CB ILE A 93 11.307 2.693 12.084 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.032 4.189 11.786 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.749 1.789 10.979 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.557 4.596 11.695 1.00 0.00 C ATOM 0 H ILE A 93 12.266 3.122 14.516 1.00 0.00 H new ATOM 0 HA ILE A 93 9.663 2.265 13.357 1.00 0.00 H new ATOM 0 HB ILE A 93 12.393 2.611 12.124 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.506 4.787 12.564 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.518 4.447 10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.136 2.114 10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.053 0.759 11.164 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.661 1.851 10.973 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.486 5.663 11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.073 4.035 10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.061 4.380 12.641 1.00 0.00 H new ATOM 1382 N VAL A 94 10.187 -0.035 14.161 1.00 0.00 N ATOM 1383 CA VAL A 94 10.439 -1.378 14.693 1.00 0.00 C ATOM 1384 C VAL A 94 10.065 -2.419 13.642 1.00 0.00 C ATOM 1385 O VAL A 94 9.029 -2.312 12.983 1.00 0.00 O ATOM 1386 CB VAL A 94 9.719 -1.606 16.038 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.131 -2.954 16.654 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.073 -0.505 17.051 1.00 0.00 C ATOM 0 H VAL A 94 9.197 0.205 14.107 1.00 0.00 H new ATOM 0 HA VAL A 94 11.502 -1.481 14.909 1.00 0.00 H new ATOM 0 HB VAL A 94 8.649 -1.592 15.830 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.612 -3.095 17.602 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.866 -3.762 15.972 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.207 -2.962 16.825 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.551 -0.692 17.989 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.149 -0.506 17.228 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.771 0.465 16.655 1.00 0.00 H new ATOM 1398 N VAL A 95 10.943 -3.413 13.482 1.00 0.00 N ATOM 1399 CA VAL A 95 10.876 -4.470 12.472 1.00 0.00 C ATOM 1400 C VAL A 95 11.048 -5.804 13.200 1.00 0.00 C ATOM 1401 O VAL A 95 12.171 -6.235 13.433 1.00 0.00 O ATOM 1402 CB VAL A 95 11.965 -4.256 11.389 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.864 -5.315 10.282 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.880 -2.869 10.732 1.00 0.00 C ATOM 0 H VAL A 95 11.761 -3.506 14.085 1.00 0.00 H new ATOM 0 HA VAL A 95 9.918 -4.457 11.952 1.00 0.00 H new ATOM 0 HB VAL A 95 12.918 -4.342 11.910 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.640 -5.138 9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.995 -6.307 10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.885 -5.252 9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.665 -2.773 9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.907 -2.751 10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 95 12.008 -2.098 11.492 1.00 0.00 H new ATOM 1414 N GLY A 96 9.959 -6.455 13.616 1.00 0.00 N ATOM 1415 CA GLY A 96 10.051 -7.744 14.302 1.00 0.00 C ATOM 1416 C GLY A 96 8.971 -8.049 15.328 1.00 0.00 C ATOM 1417 O GLY A 96 8.171 -7.198 15.709 1.00 0.00 O ATOM 0 H GLY A 96 9.007 -6.111 13.490 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.038 -8.532 13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.019 -7.796 14.801 1.00 0.00 H new ATOM 1421 N ARG A 97 8.989 -9.302 15.790 1.00 0.00 N ATOM 1422 CA ARG A 97 7.977 -9.918 16.648 1.00 0.00 C ATOM 1423 C ARG A 97 8.641 -10.651 17.816 1.00 0.00 C ATOM 1424 O ARG A 97 9.350 -11.633 17.615 1.00 0.00 O ATOM 1425 CB ARG A 97 7.050 -10.826 15.812 1.00 0.00 C ATOM 1426 CG ARG A 97 7.762 -11.903 14.958 1.00 0.00 C ATOM 1427 CD ARG A 97 7.181 -13.313 15.084 1.00 0.00 C ATOM 1428 NE ARG A 97 7.230 -13.815 16.463 1.00 0.00 N ATOM 1429 CZ ARG A 97 6.220 -14.145 17.252 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.968 -14.179 16.834 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.463 -14.452 18.503 1.00 0.00 N ATOM 0 H ARG A 97 9.748 -9.945 15.564 1.00 0.00 H new ATOM 0 HA ARG A 97 7.347 -9.143 17.086 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.354 -11.324 16.487 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.456 -10.197 15.149 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.721 -11.601 13.911 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.814 -11.933 15.241 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.148 -13.310 14.737 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.734 -13.991 14.433 1.00 0.00 H new ATOM 0 HE ARG A 97 8.162 -13.923 16.864 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.747 -13.945 15.866 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.222 -14.439 17.479 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.420 -14.434 18.856 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.695 -14.708 19.124 1.00 0.00 H new ATOM 1445 N GLY A 98 8.418 -10.144 19.033 1.00 0.00 N ATOM 1446 CA GLY A 98 8.933 -10.677 20.298 1.00 0.00 C ATOM 1447 C GLY A 98 10.409 -11.084 20.251 1.00 0.00 C ATOM 1448 O GLY A 98 11.299 -10.240 20.282 1.00 0.00 O ATOM 0 H GLY A 98 7.846 -9.311 19.169 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.799 -9.927 21.077 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.337 -11.544 20.584 1.00 0.00 H new ATOM 1452 N GLU A 99 10.655 -12.393 20.173 1.00 0.00 N ATOM 1453 CA GLU A 99 11.971 -13.033 20.143 1.00 0.00 C ATOM 1454 C GLU A 99 12.828 -12.742 18.896 1.00 0.00 C ATOM 1455 O GLU A 99 14.035 -12.969 18.947 1.00 0.00 O ATOM 1456 CB GLU A 99 11.781 -14.553 20.330 1.00 0.00 C ATOM 1457 CG GLU A 99 11.175 -15.316 19.132 1.00 0.00 C ATOM 1458 CD GLU A 99 9.782 -14.847 18.680 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.945 -14.438 19.521 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.512 -14.877 17.460 1.00 0.00 O ATOM 0 H GLU A 99 9.897 -13.074 20.126 1.00 0.00 H new ATOM 0 HA GLU A 99 12.542 -12.593 20.961 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.751 -14.994 20.562 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.142 -14.714 21.198 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.859 -15.231 18.287 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.116 -16.373 19.390 1.00 0.00 H new ATOM 1467 N GLN A 100 12.246 -12.246 17.795 1.00 0.00 N ATOM 1468 CA GLN A 100 12.965 -11.984 16.540 1.00 0.00 C ATOM 1469 C GLN A 100 12.680 -10.556 16.042 1.00 0.00 C ATOM 1470 O GLN A 100 11.624 -10.290 15.461 1.00 0.00 O ATOM 1471 CB GLN A 100 12.697 -13.114 15.513 1.00 0.00 C ATOM 1472 CG GLN A 100 11.255 -13.208 14.993 1.00 0.00 C ATOM 1473 CD GLN A 100 10.944 -14.529 14.298 1.00 0.00 C ATOM 1474 OE1 GLN A 100 11.208 -14.718 13.119 1.00 0.00 O ATOM 1475 NE2 GLN A 100 10.324 -15.467 14.982 1.00 0.00 N ATOM 0 H GLN A 100 11.254 -12.013 17.750 1.00 0.00 H new ATOM 0 HA GLN A 100 14.042 -12.010 16.708 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.363 -12.973 14.662 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.962 -14.067 15.970 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.567 -13.075 15.828 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.074 -12.389 14.297 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.100 -15.317 15.966 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.067 -16.344 14.528 1.00 0.00 H new ATOM 1484 N GLN A 101 13.598 -9.611 16.315 1.00 0.00 N ATOM 1485 CA GLN A 101 13.422 -8.212 15.908 1.00 0.00 C ATOM 1486 C GLN A 101 14.697 -7.416 15.585 1.00 0.00 C ATOM 1487 O GLN A 101 15.811 -7.784 15.952 1.00 0.00 O ATOM 1488 CB GLN A 101 12.568 -7.458 16.956 1.00 0.00 C ATOM 1489 CG GLN A 101 13.317 -7.083 18.252 1.00 0.00 C ATOM 1490 CD GLN A 101 12.474 -6.264 19.232 1.00 0.00 C ATOM 1491 OE1 GLN A 101 12.482 -6.490 20.430 1.00 0.00 O ATOM 1492 NE2 GLN A 101 11.749 -5.256 18.781 1.00 0.00 N ATOM 0 H GLN A 101 14.468 -9.794 16.816 1.00 0.00 H new ATOM 0 HA GLN A 101 12.909 -8.279 14.948 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.180 -6.547 16.500 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.708 -8.075 17.216 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.650 -7.996 18.747 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.212 -6.516 17.994 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.728 -5.049 17.782 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.210 -4.684 19.431 1.00 0.00 H new ATOM 1501 N ILE A 102 14.465 -6.265 14.947 1.00 0.00 N ATOM 1502 CA ILE A 102 15.362 -5.140 14.684 1.00 0.00 C ATOM 1503 C ILE A 102 14.589 -3.826 14.940 1.00 0.00 C ATOM 1504 O ILE A 102 13.354 -3.807 14.955 1.00 0.00 O ATOM 1505 CB ILE A 102 15.925 -5.161 13.228 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.465 -6.330 12.318 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.461 -5.119 13.300 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.731 -6.105 10.823 1.00 0.00 C ATOM 0 H ILE A 102 13.540 -6.081 14.560 1.00 0.00 H new ATOM 0 HA ILE A 102 16.219 -5.217 15.353 1.00 0.00 H new ATOM 0 HB ILE A 102 15.503 -4.281 12.743 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.972 -7.242 12.633 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.397 -6.492 12.465 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.873 -5.133 12.291 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.777 -4.208 13.808 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.823 -5.986 13.852 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.380 -6.968 10.257 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.201 -5.213 10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.801 -5.974 10.659 1.00 0.00 H new ATOM 1520 N ASN A 103 15.302 -2.706 15.103 1.00 0.00 N ATOM 1521 CA ASN A 103 14.701 -1.372 15.203 1.00 0.00 C ATOM 1522 C ASN A 103 15.648 -0.272 14.699 1.00 0.00 C ATOM 1523 O ASN A 103 16.866 -0.441 14.766 1.00 0.00 O ATOM 1524 CB ASN A 103 14.264 -1.107 16.662 1.00 0.00 C ATOM 1525 CG ASN A 103 15.329 -1.296 17.742 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.034 -1.739 18.838 1.00 0.00 O ATOM 1527 ND2 ASN A 103 16.581 -0.950 17.511 1.00 0.00 N ATOM 0 H ASN A 103 16.320 -2.700 15.170 1.00 0.00 H new ATOM 0 HA ASN A 103 13.824 -1.346 14.557 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.892 -0.084 16.726 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.426 -1.765 16.891 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.283 -1.055 18.244 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.847 -0.577 16.600 1.00 0.00 H new ATOM 1534 N HIS A 104 15.099 0.879 14.297 1.00 0.00 N ATOM 1535 CA HIS A 104 15.864 2.071 13.913 1.00 0.00 C ATOM 1536 C HIS A 104 15.214 3.359 14.445 1.00 0.00 C ATOM 1537 O HIS A 104 13.997 3.433 14.598 1.00 0.00 O ATOM 1538 CB HIS A 104 15.979 2.105 12.384 1.00 0.00 C ATOM 1539 CG HIS A 104 17.092 2.989 11.872 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.049 4.355 11.677 1.00 0.00 N ATOM 1541 CD2 HIS A 104 18.325 2.554 11.470 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.224 4.721 11.135 1.00 0.00 C ATOM 1543 NE2 HIS A 104 19.035 3.661 11.000 1.00 0.00 N ATOM 0 H HIS A 104 14.090 1.011 14.228 1.00 0.00 H new ATOM 0 HA HIS A 104 16.858 2.017 14.358 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.138 1.090 12.019 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.033 2.450 11.966 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.269 4.973 11.903 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.685 1.537 11.509 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.480 5.730 10.848 1.00 0.00 H new ATOM 1551 N HIS A 105 16.023 4.391 14.698 1.00 0.00 N ATOM 1552 CA HIS A 105 15.590 5.708 15.183 1.00 0.00 C ATOM 1553 C HIS A 105 15.324 6.707 14.039 1.00 0.00 C ATOM 1554 O HIS A 105 15.888 6.562 12.948 1.00 0.00 O ATOM 1555 CB HIS A 105 16.698 6.247 16.109 1.00 0.00 C ATOM 1556 CG HIS A 105 18.087 6.279 15.498 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.396 6.502 14.172 1.00 0.00 N ATOM 1558 CD2 HIS A 105 19.266 6.049 16.157 1.00 0.00 C ATOM 1559 CE1 HIS A 105 19.730 6.403 14.037 1.00 0.00 C ATOM 1560 NE2 HIS A 105 20.300 6.126 15.218 1.00 0.00 N ATOM 0 H HIS A 105 17.033 4.333 14.567 1.00 0.00 H new ATOM 0 HA HIS A 105 14.644 5.595 15.713 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.431 7.257 16.420 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.728 5.634 17.010 1.00 0.00 H new ATOM 0 HD1 HIS A 105 17.730 6.706 13.426 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.377 5.845 17.212 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.266 6.529 13.108 1.00 0.00 H new ATOM 1568 N TRP A 106 14.564 7.770 14.327 1.00 0.00 N ATOM 1569 CA TRP A 106 14.549 9.033 13.585 1.00 0.00 C ATOM 1570 C TRP A 106 14.266 10.236 14.499 1.00 0.00 C ATOM 1571 O TRP A 106 13.617 10.113 15.538 1.00 0.00 O ATOM 1572 CB TRP A 106 13.548 8.980 12.415 1.00 0.00 C ATOM 1573 CG TRP A 106 14.235 9.025 11.087 1.00 0.00 C ATOM 1574 CD1 TRP A 106 14.667 7.941 10.408 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.711 10.186 10.334 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.401 8.346 9.314 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.491 9.717 9.235 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.609 11.585 10.495 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 16.167 10.584 8.361 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 15.265 12.465 9.612 1.00 0.00 C ATOM 1581 CH2 TRP A 106 16.043 11.971 8.550 1.00 0.00 C ATOM 0 H TRP A 106 13.917 7.772 15.116 1.00 0.00 H new ATOM 0 HA TRP A 106 15.548 9.171 13.171 1.00 0.00 H new ATOM 0 HB2 TRP A 106 12.956 8.068 12.486 1.00 0.00 H new ATOM 0 HB3 TRP A 106 12.855 9.817 12.493 1.00 0.00 H new ATOM 0 HD1 TRP A 106 14.468 6.915 10.680 1.00 0.00 H new ATOM 0 HE1 TRP A 106 15.827 7.706 8.643 1.00 0.00 H new ATOM 0 HE3 TRP A 106 14.020 11.986 11.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.772 10.191 7.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 15.169 13.532 9.752 1.00 0.00 H new ATOM 0 HH2 TRP A 106 16.544 12.656 7.881 1.00 0.00 H new ATOM 1592 N HIS A 107 14.739 11.413 14.074 1.00 0.00 N ATOM 1593 CA HIS A 107 14.743 12.663 14.839 1.00 0.00 C ATOM 1594 C HIS A 107 14.378 13.819 13.895 1.00 0.00 C ATOM 1595 O HIS A 107 15.108 14.060 12.928 1.00 0.00 O ATOM 1596 CB HIS A 107 16.143 12.856 15.449 1.00 0.00 C ATOM 1597 CG HIS A 107 16.592 11.728 16.351 1.00 0.00 C ATOM 1598 ND1 HIS A 107 15.907 11.219 17.433 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.752 11.010 16.231 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.638 10.218 17.950 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.771 10.053 17.248 1.00 0.00 N ATOM 0 H HIS A 107 15.147 11.524 13.146 1.00 0.00 H new ATOM 0 HA HIS A 107 14.012 12.636 15.647 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.866 12.969 14.641 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.153 13.786 16.018 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.005 11.545 17.780 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.517 11.158 15.483 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.355 9.629 18.809 1.00 0.00 H new ATOM 1609 N LYS A 108 13.230 14.482 14.104 1.00 0.00 N ATOM 1610 CA LYS A 108 12.624 15.394 13.118 1.00 0.00 C ATOM 1611 C LYS A 108 11.782 16.529 13.725 1.00 0.00 C ATOM 1612 O LYS A 108 10.656 16.321 14.174 1.00 0.00 O ATOM 1613 CB LYS A 108 11.832 14.598 12.062 1.00 0.00 C ATOM 1614 CG LYS A 108 10.835 13.560 12.619 1.00 0.00 C ATOM 1615 CD LYS A 108 10.126 12.794 11.496 1.00 0.00 C ATOM 1616 CE LYS A 108 9.136 13.667 10.713 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.569 12.913 9.574 1.00 0.00 N ATOM 0 H LYS A 108 12.692 14.401 14.967 1.00 0.00 H new ATOM 0 HA LYS A 108 13.457 15.903 12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.284 15.303 11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.541 14.083 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.364 12.856 13.262 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.094 14.064 13.240 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.871 12.393 10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.595 11.943 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.334 13.999 11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.640 14.562 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.036 13.561 8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.339 12.475 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.932 12.172 9.931 1.00 0.00 H new ATOM 1631 N SER A 109 12.328 17.745 13.647 1.00 0.00 N ATOM 1632 CA SER A 109 11.748 19.038 14.022 1.00 0.00 C ATOM 1633 C SER A 109 11.187 19.074 15.451 1.00 0.00 C ATOM 1634 O SER A 109 9.971 19.141 15.650 1.00 0.00 O ATOM 1635 CB SER A 109 10.752 19.539 12.961 1.00 0.00 C ATOM 1636 OG SER A 109 9.515 18.871 13.069 1.00 0.00 O ATOM 0 H SER A 109 13.275 17.860 13.286 1.00 0.00 H new ATOM 0 HA SER A 109 12.573 19.751 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.601 20.612 13.078 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.167 19.383 11.965 1.00 0.00 H new ATOM 0 HG SER A 109 9.195 18.923 13.994 1.00 0.00 H new ATOM 1642 N GLY A 110 12.093 19.049 16.431 1.00 0.00 N ATOM 1643 CA GLY A 110 11.803 19.158 17.862 1.00 0.00 C ATOM 1644 C GLY A 110 12.143 17.892 18.653 1.00 0.00 C ATOM 1645 O GLY A 110 11.531 17.643 19.688 1.00 0.00 O ATOM 0 H GLY A 110 13.090 18.948 16.241 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.364 19.996 18.275 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.745 19.386 17.994 1.00 0.00 H new ATOM 1649 N SER A 111 13.074 17.072 18.150 1.00 0.00 N ATOM 1650 CA SER A 111 13.562 15.853 18.791 1.00 0.00 C ATOM 1651 C SER A 111 14.128 16.108 20.188 1.00 0.00 C ATOM 1652 O SER A 111 14.709 17.161 20.456 1.00 0.00 O ATOM 1653 CB SER A 111 14.662 15.259 17.901 1.00 0.00 C ATOM 1654 OG SER A 111 15.294 14.154 18.509 1.00 0.00 O ATOM 0 H SER A 111 13.523 17.250 17.251 1.00 0.00 H new ATOM 0 HA SER A 111 12.722 15.168 18.908 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.231 14.951 16.948 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.405 16.026 17.682 1.00 0.00 H new ATOM 0 HG SER A 111 14.615 13.535 18.850 1.00 0.00 H new ATOM 1660 N SER A 112 14.112 15.061 21.018 1.00 0.00 N ATOM 1661 CA SER A 112 14.917 14.933 22.237 1.00 0.00 C ATOM 1662 C SER A 112 16.412 15.208 21.995 1.00 0.00 C ATOM 1663 O SER A 112 17.116 15.608 22.917 1.00 0.00 O ATOM 1664 CB SER A 112 14.767 13.516 22.815 1.00 0.00 C ATOM 1665 OG SER A 112 13.418 13.091 22.872 1.00 0.00 O ATOM 0 H SER A 112 13.516 14.249 20.854 1.00 0.00 H new ATOM 0 HA SER A 112 14.546 15.682 22.937 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.339 12.817 22.205 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.195 13.489 23.817 1.00 0.00 H new ATOM 0 HG SER A 112 13.205 12.571 22.069 1.00 0.00 H new ATOM 1671 N ILE A 113 16.892 15.014 20.756 1.00 0.00 N ATOM 1672 CA ILE A 113 18.267 15.267 20.306 1.00 0.00 C ATOM 1673 C ILE A 113 18.452 16.681 19.705 1.00 0.00 C ATOM 1674 O ILE A 113 19.573 17.068 19.383 1.00 0.00 O ATOM 1675 CB ILE A 113 18.698 14.108 19.361 1.00 0.00 C ATOM 1676 CG1 ILE A 113 20.051 13.479 19.760 1.00 0.00 C ATOM 1677 CG2 ILE A 113 18.650 14.447 17.861 1.00 0.00 C ATOM 1678 CD1 ILE A 113 21.276 14.400 19.689 1.00 0.00 C ATOM 0 H ILE A 113 16.301 14.659 20.005 1.00 0.00 H new ATOM 0 HA ILE A 113 18.939 15.271 21.164 1.00 0.00 H new ATOM 0 HB ILE A 113 17.928 13.351 19.509 1.00 0.00 H new ATOM 0 HG12 ILE A 113 19.965 13.101 20.779 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.232 12.619 19.115 1.00 0.00 H new ATOM 0 HG21 ILE A 113 18.967 13.580 17.282 1.00 0.00 H new ATOM 0 HG22 ILE A 113 17.632 14.718 17.582 1.00 0.00 H new ATOM 0 HG23 ILE A 113 19.317 15.284 17.656 1.00 0.00 H new ATOM 0 HD11 ILE A 113 22.165 13.847 19.992 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.402 14.759 18.668 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.132 15.249 20.357 1.00 0.00 H new ATOM 1690 N GLY A 114 17.378 17.475 19.567 1.00 0.00 N ATOM 1691 CA GLY A 114 17.438 18.893 19.191 1.00 0.00 C ATOM 1692 C GLY A 114 17.258 19.218 17.703 1.00 0.00 C ATOM 1693 O GLY A 114 17.400 20.384 17.341 1.00 0.00 O ATOM 0 H GLY A 114 16.426 17.141 19.717 1.00 0.00 H new ATOM 0 HA2 GLY A 114 16.670 19.427 19.751 1.00 0.00 H new ATOM 0 HA3 GLY A 114 18.401 19.290 19.512 1.00 0.00 H new ATOM 1697 N LYS A 115 16.942 18.233 16.844 1.00 0.00 N ATOM 1698 CA LYS A 115 16.671 18.434 15.405 1.00 0.00 C ATOM 1699 C LYS A 115 15.286 17.942 14.959 1.00 0.00 C ATOM 1700 O LYS A 115 14.419 17.745 15.836 1.00 0.00 O ATOM 1701 CB LYS A 115 17.828 17.878 14.551 1.00 0.00 C ATOM 1702 CG LYS A 115 17.843 16.339 14.417 1.00 0.00 C ATOM 1703 CD LYS A 115 18.428 15.842 13.082 1.00 0.00 C ATOM 1704 CE LYS A 115 17.738 16.386 11.816 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.261 16.275 11.868 1.00 0.00 N ATOM 0 H LYS A 115 16.866 17.258 17.133 1.00 0.00 H new ATOM 0 HA LYS A 115 16.629 19.510 15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.771 18.316 13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.773 18.201 14.988 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.423 15.917 15.238 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.825 15.964 14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.484 16.111 13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.376 14.753 13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.014 17.432 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.107 15.843 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.896 16.056 10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.993 15.516 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.857 17.175 12.195 1.00 0.00 H new