USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 947 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 118 TYR OH : rot 130:sc= 0.693 USER MOD Set 1.2: A 124 LYS NZ :NH3+ -153:sc= 0.696 (180deg=-0.0413) USER MOD Set 2.1: A 119 GLN : amide:sc= -0.648 X(o=-0.82,f=-1.3) USER MOD Set 2.2: A 123 GLN :FLIP amide:sc= -0.17 F(o=-2.2!,f=-0.82) USER MOD Set 3.1: A 111 SER OG : rot 180:sc= 0.197 USER MOD Set 3.2: A 115 LYS NZ :NH3+ -115:sc= 0.211 (180deg=0) USER MOD Set 4.1: A 98 GLN : amide:sc= 0.262 X(o=0.17,f=-0.002) USER MOD Set 4.2: A 100 ASN : amide:sc= -0.0896 X(o=0.17,f=-0.002) USER MOD Set 5.1: A 96 THR OG1 : rot -140:sc= 0.36 USER MOD Set 5.2: A 101 THR OG1 : rot -33:sc= 1.13 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 172:sc= -0.224 (180deg=-0.578) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 26 GLN : amide:sc= -0.459 K(o=-0.46,f=-0.98) USER MOD Single : A 27 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.85) USER MOD Single : A 37 SER OG : rot 180:sc= -0.142 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00642 X(o=-0.0064,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0536 K(o=0.054,f=-0.62) USER MOD Single : A 48 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.18) USER MOD Single : A 49 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.0043) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -28:sc= 1.27 USER MOD Single : A 69 SER OG : rot 56:sc= 0.819 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 1.1 K(o=1.1,f=-0.012) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 2.27 (180deg=1.5) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 72:sc= 0.846 USER MOD Single : A 94 LYS NZ :NH3+ -123:sc= 1.21 (180deg=-0.36) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 112 GLN : amide:sc= -0.761 X(o=-0.76,f=-1.1) USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= 0.836 (180deg=0.313) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= -0.0374 USER MOD Single : A 136 THR OG1 : rot 180:sc=-0.00558 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -12.770 -18.904 2.114 1.00 0.00 N ATOM 2 CA GLY A 19 -11.586 -19.629 2.589 1.00 0.00 C ATOM 3 C GLY A 19 -10.909 -18.880 3.726 1.00 0.00 C ATOM 4 O GLY A 19 -11.568 -18.098 4.410 1.00 0.00 O ATOM 0 HA2 GLY A 19 -11.875 -20.624 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.883 -19.763 1.767 1.00 0.00 H new ATOM 8 N HIS A 20 -9.609 -19.116 3.949 1.00 0.00 N ATOM 9 CA HIS A 20 -8.855 -18.561 5.078 1.00 0.00 C ATOM 10 C HIS A 20 -8.975 -17.036 5.159 1.00 0.00 C ATOM 11 O HIS A 20 -9.635 -16.522 6.063 1.00 0.00 O ATOM 12 CB HIS A 20 -7.379 -18.992 5.033 1.00 0.00 C ATOM 13 CG HIS A 20 -7.135 -20.377 5.565 1.00 0.00 C ATOM 14 ND1 HIS A 20 -7.398 -21.560 4.912 1.00 0.00 N ATOM 15 CD2 HIS A 20 -6.600 -20.683 6.788 1.00 0.00 C ATOM 16 CE1 HIS A 20 -7.020 -22.562 5.719 1.00 0.00 C ATOM 17 NE2 HIS A 20 -6.568 -22.078 6.889 1.00 0.00 N ATOM 0 H HIS A 20 -9.044 -19.707 3.340 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.301 -18.970 5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.027 -18.941 4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -6.785 -18.282 5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.265 -19.979 7.535 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.071 -23.610 5.465 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.261 -22.623 7.695 1.00 0.00 H new ATOM 25 N MET A 21 -8.326 -16.298 4.257 1.00 0.00 N ATOM 26 CA MET A 21 -8.289 -14.839 4.325 1.00 0.00 C ATOM 27 C MET A 21 -9.564 -14.220 3.739 1.00 0.00 C ATOM 28 O MET A 21 -10.418 -14.924 3.188 1.00 0.00 O ATOM 29 CB MET A 21 -7.044 -14.298 3.616 1.00 0.00 C ATOM 30 CG MET A 21 -5.753 -14.607 4.382 1.00 0.00 C ATOM 31 SD MET A 21 -4.234 -14.015 3.585 1.00 0.00 S ATOM 32 CE MET A 21 -4.690 -12.326 3.092 1.00 0.00 C ATOM 0 H MET A 21 -7.816 -16.692 3.466 1.00 0.00 H new ATOM 0 HA MET A 21 -8.237 -14.554 5.376 1.00 0.00 H new ATOM 0 HB2 MET A 21 -6.982 -14.729 2.617 1.00 0.00 H new ATOM 0 HB3 MET A 21 -7.140 -13.219 3.492 1.00 0.00 H new ATOM 0 HG2 MET A 21 -5.822 -14.164 5.375 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.678 -15.686 4.519 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.807 -11.804 2.722 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.444 -12.367 2.306 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.093 -11.792 3.953 1.00 0.00 H new ATOM 42 N LYS A 22 -9.694 -12.896 3.816 1.00 0.00 N ATOM 43 CA LYS A 22 -10.599 -12.090 2.999 1.00 0.00 C ATOM 44 C LYS A 22 -9.765 -11.068 2.240 1.00 0.00 C ATOM 45 O LYS A 22 -8.598 -10.856 2.580 1.00 0.00 O ATOM 46 CB LYS A 22 -11.644 -11.375 3.881 1.00 0.00 C ATOM 47 CG LYS A 22 -12.982 -12.101 4.095 1.00 0.00 C ATOM 48 CD LYS A 22 -13.951 -12.032 2.906 1.00 0.00 C ATOM 49 CE LYS A 22 -13.856 -13.279 2.025 1.00 0.00 C ATOM 50 NZ LYS A 22 -14.616 -13.115 0.770 1.00 0.00 N ATOM 0 H LYS A 22 -9.152 -12.335 4.473 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.139 -12.732 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.196 -11.192 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.853 -10.401 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.779 -13.148 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.473 -11.677 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.971 -11.923 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.732 -11.147 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.811 -13.484 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.237 -14.142 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.530 -13.979 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.618 -12.944 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.236 -12.307 0.237 1.00 0.00 H new ATOM 64 N PHE A 23 -10.398 -10.412 1.263 1.00 0.00 N ATOM 65 CA PHE A 23 -9.768 -9.490 0.327 1.00 0.00 C ATOM 66 C PHE A 23 -8.635 -10.216 -0.427 1.00 0.00 C ATOM 67 O PHE A 23 -8.549 -11.452 -0.424 1.00 0.00 O ATOM 68 CB PHE A 23 -9.376 -8.170 1.039 1.00 0.00 C ATOM 69 CG PHE A 23 -10.473 -7.121 1.127 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.792 -7.478 1.464 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.175 -5.769 0.858 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.803 -6.508 1.489 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.190 -4.796 0.905 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.510 -5.165 1.209 1.00 0.00 C ATOM 0 H PHE A 23 -11.400 -10.516 1.100 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.468 -9.172 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.043 -8.408 2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.524 -7.736 0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.026 -8.505 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.163 -5.479 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.816 -6.797 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.953 -3.761 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.293 -4.421 1.227 1.00 0.00 H new ATOM 84 N THR A 24 -7.816 -9.459 -1.142 1.00 0.00 N ATOM 85 CA THR A 24 -6.589 -9.851 -1.809 1.00 0.00 C ATOM 86 C THR A 24 -5.568 -8.758 -1.497 1.00 0.00 C ATOM 87 O THR A 24 -5.950 -7.595 -1.351 1.00 0.00 O ATOM 88 CB THR A 24 -6.862 -10.004 -3.319 1.00 0.00 C ATOM 89 OG1 THR A 24 -7.850 -9.107 -3.788 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.388 -11.408 -3.590 1.00 0.00 C ATOM 0 H THR A 24 -8.013 -8.468 -1.281 1.00 0.00 H new ATOM 0 HA THR A 24 -6.204 -10.812 -1.467 1.00 0.00 H new ATOM 0 HB THR A 24 -5.921 -9.800 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.985 -9.242 -4.749 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.583 -11.524 -4.656 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.646 -12.142 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.312 -11.564 -3.033 1.00 0.00 H new ATOM 98 N ASP A 25 -4.288 -9.111 -1.367 1.00 0.00 N ATOM 99 CA ASP A 25 -3.252 -8.187 -0.898 1.00 0.00 C ATOM 100 C ASP A 25 -3.219 -6.932 -1.773 1.00 0.00 C ATOM 101 O ASP A 25 -3.127 -5.832 -1.241 1.00 0.00 O ATOM 102 CB ASP A 25 -1.863 -8.830 -0.911 1.00 0.00 C ATOM 103 CG ASP A 25 -1.473 -9.679 0.297 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.568 -9.219 1.457 1.00 0.00 O ATOM 105 OD2 ASP A 25 -0.928 -10.783 0.059 1.00 0.00 O ATOM 0 H ASP A 25 -3.940 -10.045 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.505 -7.924 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.789 -9.455 -1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.124 -8.035 -1.017 1.00 0.00 H new ATOM 110 N GLN A 26 -3.376 -7.055 -3.096 1.00 0.00 N ATOM 111 CA GLN A 26 -3.272 -5.903 -3.997 1.00 0.00 C ATOM 112 C GLN A 26 -4.343 -4.854 -3.656 1.00 0.00 C ATOM 113 O GLN A 26 -4.050 -3.664 -3.539 1.00 0.00 O ATOM 114 CB GLN A 26 -3.365 -6.293 -5.481 1.00 0.00 C ATOM 115 CG GLN A 26 -2.940 -7.728 -5.858 1.00 0.00 C ATOM 116 CD GLN A 26 -4.129 -8.670 -6.079 1.00 0.00 C ATOM 117 OE1 GLN A 26 -4.210 -9.761 -5.509 1.00 0.00 O ATOM 118 NE2 GLN A 26 -5.091 -8.269 -6.896 1.00 0.00 N ATOM 0 H GLN A 26 -3.575 -7.939 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.281 -5.476 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.396 -6.149 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.751 -5.597 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.337 -7.695 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.306 -8.132 -5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.019 -7.366 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.904 -8.863 -7.057 1.00 0.00 H new ATOM 127 N GLN A 27 -5.580 -5.325 -3.448 1.00 0.00 N ATOM 128 CA GLN A 27 -6.725 -4.513 -3.056 1.00 0.00 C ATOM 129 C GLN A 27 -6.476 -3.838 -1.708 1.00 0.00 C ATOM 130 O GLN A 27 -6.951 -2.728 -1.474 1.00 0.00 O ATOM 131 CB GLN A 27 -7.987 -5.389 -2.971 1.00 0.00 C ATOM 132 CG GLN A 27 -8.450 -6.010 -4.304 1.00 0.00 C ATOM 133 CD GLN A 27 -9.305 -5.090 -5.174 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.078 -4.276 -4.674 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.266 -5.261 -6.481 1.00 0.00 N ATOM 0 H GLN A 27 -5.812 -6.313 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.870 -3.740 -3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.803 -6.194 -2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.801 -4.786 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.571 -6.312 -4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.018 -6.916 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.621 -5.939 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.880 -4.715 -7.085 1.00 0.00 H new ATOM 144 N ILE A 28 -5.771 -4.519 -0.807 1.00 0.00 N ATOM 145 CA ILE A 28 -5.440 -4.030 0.519 1.00 0.00 C ATOM 146 C ILE A 28 -4.345 -2.964 0.419 1.00 0.00 C ATOM 147 O ILE A 28 -4.430 -1.963 1.127 1.00 0.00 O ATOM 148 CB ILE A 28 -5.039 -5.233 1.400 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.256 -6.160 1.617 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.458 -4.786 2.743 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.907 -7.500 2.270 1.00 0.00 C ATOM 0 H ILE A 28 -5.406 -5.454 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.298 -3.548 0.988 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.258 -5.784 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.987 -5.644 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.732 -6.349 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.189 -5.662 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.570 -4.178 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.201 -4.199 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.813 -8.094 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.200 -8.039 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.459 -7.323 3.248 1.00 0.00 H new ATOM 163 N GLY A 29 -3.337 -3.163 -0.433 1.00 0.00 N ATOM 164 CA GLY A 29 -2.180 -2.292 -0.574 1.00 0.00 C ATOM 165 C GLY A 29 -2.585 -0.864 -0.896 1.00 0.00 C ATOM 166 O GLY A 29 -2.059 0.078 -0.307 1.00 0.00 O ATOM 0 H GLY A 29 -3.308 -3.964 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.600 -2.306 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.532 -2.673 -1.364 1.00 0.00 H new ATOM 170 N VAL A 30 -3.558 -0.696 -1.790 1.00 0.00 N ATOM 171 CA VAL A 30 -4.092 0.616 -2.119 1.00 0.00 C ATOM 172 C VAL A 30 -4.704 1.280 -0.879 1.00 0.00 C ATOM 173 O VAL A 30 -4.444 2.455 -0.636 1.00 0.00 O ATOM 174 CB VAL A 30 -5.087 0.474 -3.282 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.767 1.804 -3.600 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.346 0.002 -4.545 1.00 0.00 C ATOM 0 H VAL A 30 -3.993 -1.463 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.291 1.279 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.843 -0.252 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.464 1.668 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.310 2.154 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.013 2.541 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.055 -0.097 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.581 0.731 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.876 -0.963 -4.352 1.00 0.00 H new ATOM 186 N LEU A 31 -5.502 0.557 -0.085 1.00 0.00 N ATOM 187 CA LEU A 31 -6.131 1.113 1.115 1.00 0.00 C ATOM 188 C LEU A 31 -5.054 1.514 2.118 1.00 0.00 C ATOM 189 O LEU A 31 -5.112 2.591 2.705 1.00 0.00 O ATOM 190 CB LEU A 31 -7.073 0.101 1.787 1.00 0.00 C ATOM 191 CG LEU A 31 -8.180 -0.472 0.894 1.00 0.00 C ATOM 192 CD1 LEU A 31 -8.874 -1.643 1.597 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.230 0.578 0.556 1.00 0.00 C ATOM 0 H LEU A 31 -5.728 -0.423 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.716 1.980 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.475 -0.726 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.538 0.582 2.648 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.707 -0.808 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.658 -2.041 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.145 -2.425 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.314 -1.297 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.997 0.134 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.686 0.945 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.759 1.407 0.029 1.00 0.00 H new ATOM 205 N ALA A 32 -4.077 0.633 2.315 1.00 0.00 N ATOM 206 CA ALA A 32 -2.925 0.863 3.169 1.00 0.00 C ATOM 207 C ALA A 32 -2.209 2.151 2.757 1.00 0.00 C ATOM 208 O ALA A 32 -1.875 2.975 3.611 1.00 0.00 O ATOM 209 CB ALA A 32 -1.990 -0.350 3.107 1.00 0.00 C ATOM 0 H ALA A 32 -4.069 -0.285 1.871 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.252 0.987 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.126 -0.176 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.523 -1.238 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.656 -0.500 2.080 1.00 0.00 H new ATOM 215 N GLY A 33 -1.954 2.341 1.464 1.00 0.00 N ATOM 216 CA GLY A 33 -1.307 3.542 0.964 1.00 0.00 C ATOM 217 C GLY A 33 -2.222 4.759 1.009 1.00 0.00 C ATOM 218 O GLY A 33 -1.738 5.882 1.088 1.00 0.00 O ATOM 0 H GLY A 33 -2.192 1.665 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.413 3.742 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.981 3.375 -0.062 1.00 0.00 H new ATOM 222 N LEU A 34 -3.545 4.599 1.028 1.00 0.00 N ATOM 223 CA LEU A 34 -4.409 5.753 1.184 1.00 0.00 C ATOM 224 C LEU A 34 -4.320 6.358 2.591 1.00 0.00 C ATOM 225 O LEU A 34 -4.685 7.521 2.771 1.00 0.00 O ATOM 226 CB LEU A 34 -5.836 5.398 0.774 1.00 0.00 C ATOM 227 CG LEU A 34 -6.470 6.408 -0.197 1.00 0.00 C ATOM 228 CD1 LEU A 34 -5.755 6.510 -1.553 1.00 0.00 C ATOM 229 CD2 LEU A 34 -7.895 5.934 -0.469 1.00 0.00 C ATOM 0 H LEU A 34 -4.026 3.704 0.939 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.061 6.539 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.836 4.412 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.455 5.330 1.668 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.409 7.390 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.264 7.243 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.722 6.821 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.771 5.538 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.383 6.625 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.869 4.939 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.452 5.899 0.467 1.00 0.00 H new ATOM 241 N ALA A 35 -3.800 5.605 3.572 1.00 0.00 N ATOM 242 CA ALA A 35 -3.464 6.113 4.897 1.00 0.00 C ATOM 243 C ALA A 35 -2.020 6.605 5.002 1.00 0.00 C ATOM 244 O ALA A 35 -1.755 7.371 5.933 1.00 0.00 O ATOM 245 CB ALA A 35 -3.689 5.038 5.972 1.00 0.00 C ATOM 0 H ALA A 35 -3.601 4.611 3.458 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.128 6.962 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.431 5.443 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.736 4.734 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.060 4.174 5.759 1.00 0.00 H new ATOM 251 N ILE A 36 -1.099 6.186 4.130 1.00 0.00 N ATOM 252 CA ILE A 36 0.316 6.526 4.178 1.00 0.00 C ATOM 253 C ILE A 36 0.700 6.906 2.751 1.00 0.00 C ATOM 254 O ILE A 36 0.841 6.027 1.897 1.00 0.00 O ATOM 255 CB ILE A 36 1.237 5.399 4.695 1.00 0.00 C ATOM 256 CG1 ILE A 36 1.057 5.007 6.183 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.709 5.856 4.577 1.00 0.00 C ATOM 258 CD1 ILE A 36 -0.160 4.151 6.473 1.00 0.00 C ATOM 0 H ILE A 36 -1.332 5.579 3.344 1.00 0.00 H new ATOM 0 HA ILE A 36 0.456 7.335 4.895 1.00 0.00 H new ATOM 0 HB ILE A 36 0.970 4.538 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.947 4.472 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.993 5.918 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.366 5.065 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.941 6.070 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.860 6.756 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.202 3.928 7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.061 4.689 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.093 3.220 5.910 1.00 0.00 H new ATOM 270 N SER A 37 0.873 8.206 2.538 1.00 0.00 N ATOM 271 CA SER A 37 1.229 8.841 1.276 1.00 0.00 C ATOM 272 C SER A 37 0.218 8.513 0.153 1.00 0.00 C ATOM 273 O SER A 37 0.587 7.961 -0.888 1.00 0.00 O ATOM 274 CB SER A 37 2.733 8.659 0.970 1.00 0.00 C ATOM 275 OG SER A 37 3.290 7.420 1.348 1.00 0.00 O ATOM 0 H SER A 37 0.761 8.886 3.290 1.00 0.00 H new ATOM 0 HA SER A 37 1.123 9.923 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.886 8.793 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.286 9.453 1.473 1.00 0.00 H new ATOM 0 HG SER A 37 4.241 7.403 1.111 1.00 0.00 H new ATOM 281 N PRO A 38 -1.062 8.916 0.320 1.00 0.00 N ATOM 282 CA PRO A 38 -2.110 8.746 -0.688 1.00 0.00 C ATOM 283 C PRO A 38 -1.839 9.615 -1.910 1.00 0.00 C ATOM 284 O PRO A 38 -2.061 9.180 -3.030 1.00 0.00 O ATOM 285 CB PRO A 38 -3.401 9.256 -0.027 1.00 0.00 C ATOM 286 CG PRO A 38 -2.925 10.214 1.060 1.00 0.00 C ATOM 287 CD PRO A 38 -1.605 9.593 1.494 1.00 0.00 C ATOM 0 HA PRO A 38 -2.165 7.706 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.042 9.762 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.981 8.435 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.791 11.226 0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.635 10.276 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.916 10.357 1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.757 8.889 2.312 1.00 0.00 H new ATOM 295 N GLU A 39 -1.410 10.860 -1.706 1.00 0.00 N ATOM 296 CA GLU A 39 -1.264 11.837 -2.775 1.00 0.00 C ATOM 297 C GLU A 39 -0.185 11.354 -3.735 1.00 0.00 C ATOM 298 O GLU A 39 -0.473 11.163 -4.911 1.00 0.00 O ATOM 299 CB GLU A 39 -1.016 13.221 -2.158 1.00 0.00 C ATOM 300 CG GLU A 39 -2.379 13.759 -1.689 1.00 0.00 C ATOM 301 CD GLU A 39 -2.301 15.009 -0.819 1.00 0.00 C ATOM 302 OE1 GLU A 39 -1.729 14.930 0.292 1.00 0.00 O ATOM 303 OE2 GLU A 39 -2.967 16.018 -1.147 1.00 0.00 O ATOM 0 H GLU A 39 -1.153 11.218 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.171 11.940 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.321 13.151 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.567 13.894 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.989 13.979 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.892 12.975 -1.132 1.00 0.00 H new ATOM 310 N TRP A 40 0.994 11.001 -3.214 1.00 0.00 N ATOM 311 CA TRP A 40 2.033 10.295 -3.957 1.00 0.00 C ATOM 312 C TRP A 40 1.446 9.127 -4.756 1.00 0.00 C ATOM 313 O TRP A 40 1.734 8.990 -5.946 1.00 0.00 O ATOM 314 CB TRP A 40 3.103 9.808 -2.972 1.00 0.00 C ATOM 315 CG TRP A 40 4.116 8.850 -3.520 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.215 9.189 -4.226 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.127 7.390 -3.459 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.922 8.056 -4.563 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.294 6.917 -4.130 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.271 6.412 -2.910 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.601 5.557 -4.253 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.566 5.041 -3.032 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.725 4.612 -3.699 1.00 0.00 C ATOM 0 H TRP A 40 1.254 11.203 -2.248 1.00 0.00 H new ATOM 0 HA TRP A 40 2.487 10.976 -4.677 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.630 10.678 -2.580 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.602 9.333 -2.129 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.498 10.198 -4.488 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.805 8.064 -5.073 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.377 6.720 -2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.497 5.241 -4.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.893 4.311 -2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.941 3.557 -3.785 1.00 0.00 H new ATOM 334 N LEU A 41 0.613 8.287 -4.128 1.00 0.00 N ATOM 335 CA LEU A 41 0.083 7.098 -4.789 1.00 0.00 C ATOM 336 C LEU A 41 -0.739 7.564 -5.993 1.00 0.00 C ATOM 337 O LEU A 41 -0.489 7.155 -7.124 1.00 0.00 O ATOM 338 CB LEU A 41 -0.675 6.181 -3.792 1.00 0.00 C ATOM 339 CG LEU A 41 -2.209 6.000 -3.738 1.00 0.00 C ATOM 340 CD1 LEU A 41 -2.800 5.317 -4.980 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.504 5.074 -2.547 1.00 0.00 C ATOM 0 H LEU A 41 0.295 8.412 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 41 0.884 6.459 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.261 5.182 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.378 6.513 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.653 6.993 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.880 5.226 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.577 5.914 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.363 4.325 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.579 4.915 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.006 4.116 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.136 5.533 -1.629 1.00 0.00 H new ATOM 353 N LYS A 42 -1.683 8.475 -5.772 1.00 0.00 N ATOM 354 CA LYS A 42 -2.613 8.950 -6.786 1.00 0.00 C ATOM 355 C LYS A 42 -1.907 9.693 -7.918 1.00 0.00 C ATOM 356 O LYS A 42 -2.361 9.585 -9.060 1.00 0.00 O ATOM 357 CB LYS A 42 -3.667 9.832 -6.107 1.00 0.00 C ATOM 358 CG LYS A 42 -4.648 8.976 -5.287 1.00 0.00 C ATOM 359 CD LYS A 42 -5.604 9.813 -4.435 1.00 0.00 C ATOM 360 CE LYS A 42 -6.473 10.700 -5.325 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.544 11.364 -4.564 1.00 0.00 N ATOM 0 H LYS A 42 -1.824 8.912 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.096 8.091 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.177 10.556 -5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.214 10.399 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.228 8.349 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.083 8.307 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.236 9.157 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.036 10.430 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.849 11.454 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.913 10.097 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.110 11.956 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.155 10.646 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.124 11.960 -3.822 1.00 0.00 H new ATOM 375 N GLN A 43 -0.811 10.410 -7.661 1.00 0.00 N ATOM 376 CA GLN A 43 -0.059 11.075 -8.715 1.00 0.00 C ATOM 377 C GLN A 43 0.477 10.011 -9.664 1.00 0.00 C ATOM 378 O GLN A 43 0.247 10.067 -10.873 1.00 0.00 O ATOM 379 CB GLN A 43 1.088 11.905 -8.121 1.00 0.00 C ATOM 380 CG GLN A 43 0.583 13.138 -7.363 1.00 0.00 C ATOM 381 CD GLN A 43 1.622 14.236 -7.198 1.00 0.00 C ATOM 382 OE1 GLN A 43 1.283 15.415 -7.255 1.00 0.00 O ATOM 383 NE2 GLN A 43 2.873 13.927 -6.894 1.00 0.00 N ATOM 0 H GLN A 43 -0.427 10.542 -6.725 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.708 11.761 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.673 11.281 -7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.756 12.222 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.280 13.546 -7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.238 12.828 -6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.159 12.949 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.550 14.667 -6.708 1.00 0.00 H new ATOM 392 N ASN A 44 1.154 9.012 -9.098 1.00 0.00 N ATOM 393 CA ASN A 44 1.798 7.966 -9.869 1.00 0.00 C ATOM 394 C ASN A 44 0.782 7.088 -10.597 1.00 0.00 C ATOM 395 O ASN A 44 1.056 6.711 -11.734 1.00 0.00 O ATOM 396 CB ASN A 44 2.707 7.133 -8.970 1.00 0.00 C ATOM 397 CG ASN A 44 3.933 7.913 -8.535 1.00 0.00 C ATOM 398 OD1 ASN A 44 4.783 8.241 -9.353 1.00 0.00 O ATOM 399 ND2 ASN A 44 4.055 8.236 -7.263 1.00 0.00 N ATOM 0 H ASN A 44 1.267 8.911 -8.089 1.00 0.00 H new ATOM 0 HA ASN A 44 2.409 8.442 -10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.151 6.809 -8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.018 6.233 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.867 8.767 -6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.338 7.955 -6.594 1.00 0.00 H new ATOM 406 N ILE A 45 -0.380 6.779 -10.001 1.00 0.00 N ATOM 407 CA ILE A 45 -1.458 6.072 -10.694 1.00 0.00 C ATOM 408 C ILE A 45 -1.897 6.883 -11.913 1.00 0.00 C ATOM 409 O ILE A 45 -1.954 6.335 -13.013 1.00 0.00 O ATOM 410 CB ILE A 45 -2.644 5.779 -9.747 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.300 4.775 -8.627 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.888 5.278 -10.506 1.00 0.00 C ATOM 413 CD1 ILE A 45 -1.967 3.347 -9.073 1.00 0.00 C ATOM 0 H ILE A 45 -0.594 7.012 -9.031 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.085 5.105 -11.033 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.868 6.740 -9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.450 5.165 -8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.143 4.730 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.694 5.086 -9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.207 6.036 -11.222 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.644 4.357 -11.036 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.743 2.736 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.820 2.923 -9.603 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.101 3.365 -9.735 1.00 0.00 H new ATOM 425 N ALA A 46 -2.197 8.176 -11.757 1.00 0.00 N ATOM 426 CA ALA A 46 -2.626 8.999 -12.884 1.00 0.00 C ATOM 427 C ALA A 46 -1.553 9.034 -13.982 1.00 0.00 C ATOM 428 O ALA A 46 -1.881 8.965 -15.169 1.00 0.00 O ATOM 429 CB ALA A 46 -2.989 10.397 -12.381 1.00 0.00 C ATOM 0 H ALA A 46 -2.150 8.670 -10.866 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.514 8.560 -13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.310 11.014 -13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.798 10.324 -11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.118 10.851 -11.909 1.00 0.00 H new ATOM 435 N ALA A 47 -0.276 9.081 -13.591 1.00 0.00 N ATOM 436 CA ALA A 47 0.863 9.050 -14.500 1.00 0.00 C ATOM 437 C ALA A 47 1.103 7.669 -15.117 1.00 0.00 C ATOM 438 O ALA A 47 1.927 7.541 -16.021 1.00 0.00 O ATOM 439 CB ALA A 47 2.114 9.548 -13.771 1.00 0.00 C ATOM 0 H ALA A 47 -0.004 9.143 -12.610 1.00 0.00 H new ATOM 0 HA ALA A 47 0.633 9.714 -15.333 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.965 9.524 -14.451 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.952 10.570 -13.427 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.316 8.905 -12.915 1.00 0.00 H new ATOM 445 N ASN A 48 0.398 6.631 -14.660 1.00 0.00 N ATOM 446 CA ASN A 48 0.682 5.223 -14.932 1.00 0.00 C ATOM 447 C ASN A 48 2.160 4.881 -14.708 1.00 0.00 C ATOM 448 O ASN A 48 2.754 4.104 -15.447 1.00 0.00 O ATOM 449 CB ASN A 48 0.107 4.809 -16.297 1.00 0.00 C ATOM 450 CG ASN A 48 0.121 3.306 -16.556 1.00 0.00 C ATOM 451 OD1 ASN A 48 0.389 2.878 -17.674 1.00 0.00 O ATOM 452 ND2 ASN A 48 -0.290 2.469 -15.614 1.00 0.00 N ATOM 0 H ASN A 48 -0.421 6.756 -14.065 1.00 0.00 H new ATOM 0 HA ASN A 48 0.162 4.604 -14.201 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.919 5.168 -16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.675 5.306 -17.083 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.382 1.474 -15.820 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.514 2.820 -14.683 1.00 0.00 H new ATOM 459 N GLN A 49 2.754 5.490 -13.678 1.00 0.00 N ATOM 460 CA GLN A 49 4.160 5.350 -13.307 1.00 0.00 C ATOM 461 C GLN A 49 4.352 4.438 -12.092 1.00 0.00 C ATOM 462 O GLN A 49 5.490 4.160 -11.707 1.00 0.00 O ATOM 463 CB GLN A 49 4.742 6.735 -12.988 1.00 0.00 C ATOM 464 CG GLN A 49 5.062 7.561 -14.243 1.00 0.00 C ATOM 465 CD GLN A 49 6.521 7.455 -14.685 1.00 0.00 C ATOM 466 OE1 GLN A 49 7.148 8.467 -14.995 1.00 0.00 O ATOM 467 NE2 GLN A 49 7.104 6.267 -14.713 1.00 0.00 N ATOM 0 H GLN A 49 2.246 6.119 -13.056 1.00 0.00 H new ATOM 0 HA GLN A 49 4.678 4.896 -14.152 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.034 7.286 -12.369 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.651 6.613 -12.400 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.418 7.232 -15.059 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.824 8.607 -14.051 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.576 5.434 -14.454 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.081 6.185 -14.993 1.00 0.00 H new ATOM 476 N LEU A 50 3.270 4.004 -11.447 1.00 0.00 N ATOM 477 CA LEU A 50 3.328 3.250 -10.206 1.00 0.00 C ATOM 478 C LEU A 50 3.413 1.762 -10.530 1.00 0.00 C ATOM 479 O LEU A 50 2.572 1.247 -11.272 1.00 0.00 O ATOM 480 CB LEU A 50 2.097 3.576 -9.350 1.00 0.00 C ATOM 481 CG LEU A 50 2.443 3.802 -7.866 1.00 0.00 C ATOM 482 CD1 LEU A 50 1.168 4.140 -7.111 1.00 0.00 C ATOM 483 CD2 LEU A 50 3.115 2.644 -7.139 1.00 0.00 C ATOM 0 H LEU A 50 2.320 4.171 -11.779 1.00 0.00 H new ATOM 0 HA LEU A 50 4.214 3.525 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.612 4.469 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.378 2.761 -9.430 1.00 0.00 H new ATOM 0 HG LEU A 50 3.176 4.608 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.401 4.302 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.727 5.045 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.461 3.316 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.307 2.927 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.462 1.772 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.058 2.404 -7.630 1.00 0.00 H new ATOM 495 N VAL A 51 4.384 1.068 -9.943 1.00 0.00 N ATOM 496 CA VAL A 51 4.553 -0.376 -10.045 1.00 0.00 C ATOM 497 C VAL A 51 4.323 -0.958 -8.647 1.00 0.00 C ATOM 498 O VAL A 51 4.461 -0.297 -7.613 1.00 0.00 O ATOM 499 CB VAL A 51 5.943 -0.747 -10.631 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.143 -2.265 -10.837 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.198 -0.107 -12.003 1.00 0.00 C ATOM 0 H VAL A 51 5.098 1.511 -9.364 1.00 0.00 H new ATOM 0 HA VAL A 51 3.831 -0.803 -10.741 1.00 0.00 H new ATOM 0 HB VAL A 51 6.636 -0.369 -9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.135 -2.449 -11.249 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.046 -2.778 -9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.388 -2.641 -11.528 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.184 -0.401 -12.364 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.438 -0.444 -12.708 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.153 0.978 -11.912 1.00 0.00 H new ATOM 511 N TYR A 52 3.958 -2.228 -8.628 1.00 0.00 N ATOM 512 CA TYR A 52 3.735 -3.058 -7.471 1.00 0.00 C ATOM 513 C TYR A 52 4.658 -4.269 -7.612 1.00 0.00 C ATOM 514 O TYR A 52 4.867 -4.745 -8.732 1.00 0.00 O ATOM 515 CB TYR A 52 2.253 -3.446 -7.485 1.00 0.00 C ATOM 516 CG TYR A 52 1.974 -4.677 -6.673 1.00 0.00 C ATOM 517 CD1 TYR A 52 2.059 -4.627 -5.276 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.831 -5.906 -7.336 1.00 0.00 C ATOM 519 CE1 TYR A 52 2.086 -5.822 -4.552 1.00 0.00 C ATOM 520 CE2 TYR A 52 1.872 -7.108 -6.622 1.00 0.00 C ATOM 521 CZ TYR A 52 2.027 -7.062 -5.224 1.00 0.00 C ATOM 522 OH TYR A 52 2.093 -8.206 -4.502 1.00 0.00 O ATOM 0 H TYR A 52 3.799 -2.741 -9.495 1.00 0.00 H new ATOM 0 HA TYR A 52 3.954 -2.566 -6.523 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.660 -2.617 -7.098 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.934 -3.613 -8.514 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.103 -3.677 -4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.688 -5.924 -8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.152 -5.797 -3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.786 -8.055 -7.135 1.00 0.00 H new ATOM 0 HH TYR A 52 2.039 -8.977 -5.105 1.00 0.00 H new ATOM 532 N GLY A 53 5.192 -4.794 -6.507 1.00 0.00 N ATOM 533 CA GLY A 53 6.101 -5.929 -6.566 1.00 0.00 C ATOM 534 C GLY A 53 6.185 -6.707 -5.259 1.00 0.00 C ATOM 535 O GLY A 53 5.609 -6.326 -4.240 1.00 0.00 O ATOM 0 H GLY A 53 5.008 -4.449 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.779 -6.602 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.096 -5.574 -6.833 1.00 0.00 H new ATOM 539 N ILE A 54 6.926 -7.811 -5.299 1.00 0.00 N ATOM 540 CA ILE A 54 7.223 -8.710 -4.195 1.00 0.00 C ATOM 541 C ILE A 54 8.725 -8.789 -4.068 1.00 0.00 C ATOM 542 O ILE A 54 9.508 -8.821 -5.014 1.00 0.00 O ATOM 543 CB ILE A 54 6.550 -10.075 -4.459 1.00 0.00 C ATOM 544 CG1 ILE A 54 5.015 -9.994 -4.327 1.00 0.00 C ATOM 545 CG2 ILE A 54 7.123 -11.184 -3.567 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.488 -10.012 -2.886 1.00 0.00 C ATOM 0 H ILE A 54 7.364 -8.120 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 54 6.824 -8.353 -3.245 1.00 0.00 H new ATOM 0 HB ILE A 54 6.779 -10.338 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.671 -9.081 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.574 -10.830 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.620 -12.125 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.191 -11.290 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.966 -10.926 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.400 -9.951 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.795 -10.937 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.894 -9.161 -2.339 1.00 0.00 H new ATOM 558 N VAL A 55 9.062 -8.707 -2.800 1.00 0.00 N ATOM 559 CA VAL A 55 10.336 -8.682 -2.167 1.00 0.00 C ATOM 560 C VAL A 55 11.021 -10.041 -2.326 1.00 0.00 C ATOM 561 O VAL A 55 12.065 -10.092 -2.980 1.00 0.00 O ATOM 562 CB VAL A 55 10.026 -8.252 -0.721 1.00 0.00 C ATOM 563 CG1 VAL A 55 9.927 -6.727 -0.580 1.00 0.00 C ATOM 564 CG2 VAL A 55 8.810 -8.835 -0.036 1.00 0.00 C ATOM 0 H VAL A 55 8.326 -8.648 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 55 11.056 -7.987 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 55 10.890 -8.678 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.707 -6.471 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.873 -6.272 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.130 -6.353 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.733 -8.432 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.915 -8.574 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.905 -9.920 0.013 1.00 0.00 H new ATOM 574 N LYS A 56 10.393 -11.122 -1.830 1.00 0.00 N ATOM 575 CA LYS A 56 10.923 -12.482 -1.693 1.00 0.00 C ATOM 576 C LYS A 56 12.219 -12.551 -0.865 1.00 0.00 C ATOM 577 O LYS A 56 12.909 -11.546 -0.677 1.00 0.00 O ATOM 578 CB LYS A 56 11.083 -13.117 -3.086 1.00 0.00 C ATOM 579 CG LYS A 56 9.759 -13.667 -3.637 1.00 0.00 C ATOM 580 CD LYS A 56 9.644 -15.173 -3.445 1.00 0.00 C ATOM 581 CE LYS A 56 8.451 -15.717 -4.224 1.00 0.00 C ATOM 582 NZ LYS A 56 8.352 -17.178 -4.056 1.00 0.00 N ATOM 0 H LYS A 56 9.433 -11.059 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 56 10.199 -13.064 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.480 -12.373 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.814 -13.924 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.925 -13.173 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.681 -13.430 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.559 -15.660 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.531 -15.404 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.534 -15.241 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.556 -15.472 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.535 -17.535 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.221 -17.628 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.230 -17.404 -3.048 1.00 0.00 H new ATOM 596 N PRO A 57 12.622 -13.756 -0.423 1.00 0.00 N ATOM 597 CA PRO A 57 14.009 -14.027 -0.108 1.00 0.00 C ATOM 598 C PRO A 57 14.785 -14.054 -1.428 1.00 0.00 C ATOM 599 O PRO A 57 15.000 -15.116 -2.012 1.00 0.00 O ATOM 600 CB PRO A 57 14.010 -15.369 0.629 1.00 0.00 C ATOM 601 CG PRO A 57 12.775 -16.090 0.098 1.00 0.00 C ATOM 602 CD PRO A 57 11.819 -14.963 -0.286 1.00 0.00 C ATOM 0 HA PRO A 57 14.486 -13.279 0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.919 -15.934 0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.956 -15.230 1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.018 -16.716 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.338 -16.742 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.306 -15.193 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.051 -14.832 0.476 1.00 0.00 H new ATOM 610 N SER A 58 15.128 -12.881 -1.949 1.00 0.00 N ATOM 611 CA SER A 58 16.141 -12.698 -2.970 1.00 0.00 C ATOM 612 C SER A 58 16.572 -11.241 -2.888 1.00 0.00 C ATOM 613 O SER A 58 17.656 -10.964 -2.370 1.00 0.00 O ATOM 614 CB SER A 58 15.641 -13.124 -4.361 1.00 0.00 C ATOM 615 OG SER A 58 16.714 -13.297 -5.267 1.00 0.00 O ATOM 0 H SER A 58 14.692 -12.006 -1.660 1.00 0.00 H new ATOM 0 HA SER A 58 17.003 -13.343 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.080 -14.055 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.954 -12.371 -4.748 1.00 0.00 H new ATOM 0 HG SER A 58 16.364 -13.569 -6.141 1.00 0.00 H new ATOM 621 N ASP A 59 15.715 -10.323 -3.338 1.00 0.00 N ATOM 622 CA ASP A 59 16.089 -8.942 -3.621 1.00 0.00 C ATOM 623 C ASP A 59 16.630 -8.221 -2.398 1.00 0.00 C ATOM 624 O ASP A 59 16.362 -8.621 -1.265 1.00 0.00 O ATOM 625 CB ASP A 59 14.888 -8.151 -4.162 1.00 0.00 C ATOM 626 CG ASP A 59 15.063 -7.882 -5.644 1.00 0.00 C ATOM 627 OD1 ASP A 59 15.765 -6.902 -5.959 1.00 0.00 O ATOM 628 OD2 ASP A 59 14.504 -8.665 -6.447 1.00 0.00 O ATOM 0 H ASP A 59 14.731 -10.523 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 59 16.879 -8.991 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.968 -8.711 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.791 -7.209 -3.623 1.00 0.00 H new ATOM 633 N THR A 60 17.352 -7.121 -2.605 1.00 0.00 N ATOM 634 CA THR A 60 17.780 -6.269 -1.509 1.00 0.00 C ATOM 635 C THR A 60 16.541 -5.625 -0.881 1.00 0.00 C ATOM 636 O THR A 60 15.887 -4.795 -1.522 1.00 0.00 O ATOM 637 CB THR A 60 18.757 -5.202 -2.016 1.00 0.00 C ATOM 638 OG1 THR A 60 19.743 -5.765 -2.864 1.00 0.00 O ATOM 639 CG2 THR A 60 19.421 -4.509 -0.828 1.00 0.00 C ATOM 0 H THR A 60 17.651 -6.802 -3.527 1.00 0.00 H new ATOM 0 HA THR A 60 18.301 -6.861 -0.756 1.00 0.00 H new ATOM 0 HB THR A 60 18.194 -4.472 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.350 -5.060 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.115 -3.751 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 60 18.658 -4.036 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 60 19.964 -5.245 -0.235 1.00 0.00 H new ATOM 647 N VAL A 61 16.221 -6.007 0.356 1.00 0.00 N ATOM 648 CA VAL A 61 15.100 -5.462 1.108 1.00 0.00 C ATOM 649 C VAL A 61 15.559 -5.288 2.563 1.00 0.00 C ATOM 650 O VAL A 61 16.569 -5.885 2.959 1.00 0.00 O ATOM 651 CB VAL A 61 13.883 -6.404 0.998 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.267 -6.309 -0.401 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.132 -7.873 1.356 1.00 0.00 C ATOM 0 H VAL A 61 16.745 -6.716 0.868 1.00 0.00 H new ATOM 0 HA VAL A 61 14.790 -4.496 0.709 1.00 0.00 H new ATOM 0 HB VAL A 61 13.194 -6.045 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.409 -6.978 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.944 -5.285 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.009 -6.596 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.206 -8.437 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.893 -8.285 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.474 -7.943 2.388 1.00 0.00 H new ATOM 663 N PRO A 62 14.875 -4.457 3.365 1.00 0.00 N ATOM 664 CA PRO A 62 15.134 -4.365 4.798 1.00 0.00 C ATOM 665 C PRO A 62 14.734 -5.664 5.508 1.00 0.00 C ATOM 666 O PRO A 62 14.039 -6.509 4.949 1.00 0.00 O ATOM 667 CB PRO A 62 14.329 -3.159 5.298 1.00 0.00 C ATOM 668 CG PRO A 62 13.298 -2.902 4.209 1.00 0.00 C ATOM 669 CD PRO A 62 13.844 -3.527 2.938 1.00 0.00 C ATOM 0 HA PRO A 62 16.194 -4.229 5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.850 -3.372 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.970 -2.290 5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.336 -3.341 4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.134 -1.833 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.057 -4.042 2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.254 -2.767 2.273 1.00 0.00 H new ATOM 677 N ALA A 63 15.141 -5.809 6.768 1.00 0.00 N ATOM 678 CA ALA A 63 14.698 -6.901 7.618 1.00 0.00 C ATOM 679 C ALA A 63 13.199 -6.759 7.892 1.00 0.00 C ATOM 680 O ALA A 63 12.735 -5.686 8.299 1.00 0.00 O ATOM 681 CB ALA A 63 15.494 -6.887 8.929 1.00 0.00 C ATOM 0 H ALA A 63 15.789 -5.168 7.225 1.00 0.00 H new ATOM 0 HA ALA A 63 14.872 -7.853 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.161 -7.707 9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.556 -7.005 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.332 -5.939 9.443 1.00 0.00 H new ATOM 687 N GLY A 64 12.448 -7.848 7.746 1.00 0.00 N ATOM 688 CA GLY A 64 11.054 -7.942 8.147 1.00 0.00 C ATOM 689 C GLY A 64 10.083 -7.775 7.027 1.00 0.00 C ATOM 690 O GLY A 64 9.062 -7.116 7.230 1.00 0.00 O ATOM 0 H GLY A 64 12.805 -8.710 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.887 -8.912 8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.853 -7.183 8.903 1.00 0.00 H new ATOM 694 N VAL A 65 10.429 -8.304 5.863 1.00 0.00 N ATOM 695 CA VAL A 65 9.758 -8.047 4.620 1.00 0.00 C ATOM 696 C VAL A 65 10.374 -8.959 3.563 1.00 0.00 C ATOM 697 O VAL A 65 10.834 -8.542 2.509 1.00 0.00 O ATOM 698 CB VAL A 65 9.720 -6.516 4.426 1.00 0.00 C ATOM 699 CG1 VAL A 65 11.025 -5.771 4.743 1.00 0.00 C ATOM 700 CG2 VAL A 65 9.341 -5.952 3.091 1.00 0.00 C ATOM 0 H VAL A 65 11.215 -8.946 5.766 1.00 0.00 H new ATOM 0 HA VAL A 65 8.703 -8.315 4.561 1.00 0.00 H new ATOM 0 HB VAL A 65 8.919 -6.348 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.885 -4.704 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.296 -5.940 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.821 -6.140 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.367 -4.863 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.045 -6.301 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.335 -6.281 2.829 1.00 0.00 H new ATOM 710 N ASP A 66 10.333 -10.254 3.871 1.00 0.00 N ATOM 711 CA ASP A 66 10.793 -11.348 3.020 1.00 0.00 C ATOM 712 C ASP A 66 9.703 -11.821 2.054 1.00 0.00 C ATOM 713 O ASP A 66 9.937 -12.680 1.218 1.00 0.00 O ATOM 714 CB ASP A 66 11.213 -12.487 3.951 1.00 0.00 C ATOM 715 CG ASP A 66 12.209 -13.456 3.332 1.00 0.00 C ATOM 716 OD1 ASP A 66 13.281 -12.990 2.881 1.00 0.00 O ATOM 717 OD2 ASP A 66 12.012 -14.680 3.503 1.00 0.00 O ATOM 0 H ASP A 66 9.961 -10.583 4.762 1.00 0.00 H new ATOM 0 HA ASP A 66 11.624 -11.012 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.649 -12.062 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.325 -13.040 4.255 1.00 0.00 H new ATOM 722 N ASP A 67 8.495 -11.263 2.174 1.00 0.00 N ATOM 723 CA ASP A 67 7.308 -11.518 1.329 1.00 0.00 C ATOM 724 C ASP A 67 6.244 -10.419 1.536 1.00 0.00 C ATOM 725 O ASP A 67 5.052 -10.602 1.307 1.00 0.00 O ATOM 726 CB ASP A 67 6.722 -12.926 1.560 1.00 0.00 C ATOM 727 CG ASP A 67 5.929 -13.452 0.353 1.00 0.00 C ATOM 728 OD1 ASP A 67 6.114 -12.980 -0.793 1.00 0.00 O ATOM 729 OD2 ASP A 67 5.193 -14.452 0.536 1.00 0.00 O ATOM 0 H ASP A 67 8.300 -10.579 2.905 1.00 0.00 H new ATOM 0 HA ASP A 67 7.632 -11.483 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.533 -13.619 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.071 -12.904 2.434 1.00 0.00 H new ATOM 734 N TYR A 68 6.676 -9.264 2.048 1.00 0.00 N ATOM 735 CA TYR A 68 5.882 -8.057 2.235 1.00 0.00 C ATOM 736 C TYR A 68 5.848 -7.273 0.933 1.00 0.00 C ATOM 737 O TYR A 68 6.795 -6.558 0.609 1.00 0.00 O ATOM 738 CB TYR A 68 6.418 -7.227 3.374 1.00 0.00 C ATOM 739 CG TYR A 68 5.889 -7.563 4.735 1.00 0.00 C ATOM 740 CD1 TYR A 68 5.883 -8.895 5.186 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.378 -6.535 5.540 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.365 -9.202 6.442 1.00 0.00 C ATOM 743 CE2 TYR A 68 4.823 -6.841 6.788 1.00 0.00 C ATOM 744 CZ TYR A 68 4.804 -8.185 7.246 1.00 0.00 C ATOM 745 OH TYR A 68 4.223 -8.513 8.428 1.00 0.00 O ATOM 0 H TYR A 68 7.640 -9.144 2.358 1.00 0.00 H new ATOM 0 HA TYR A 68 4.862 -8.333 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.503 -7.328 3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.199 -6.179 3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.280 -9.680 4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.412 -5.511 5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.392 -10.220 6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.409 -6.055 7.402 1.00 0.00 H new ATOM 0 HH TYR A 68 3.876 -9.428 8.379 1.00 0.00 H new ATOM 755 N SER A 69 4.751 -7.415 0.209 1.00 0.00 N ATOM 756 CA SER A 69 4.416 -6.717 -1.021 1.00 0.00 C ATOM 757 C SER A 69 4.728 -5.217 -0.930 1.00 0.00 C ATOM 758 O SER A 69 4.464 -4.610 0.107 1.00 0.00 O ATOM 759 CB SER A 69 2.915 -6.949 -1.269 1.00 0.00 C ATOM 760 OG SER A 69 2.225 -7.620 -0.211 1.00 0.00 O ATOM 0 H SER A 69 4.018 -8.068 0.485 1.00 0.00 H new ATOM 0 HA SER A 69 5.016 -7.101 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.437 -5.985 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.799 -7.529 -2.184 1.00 0.00 H new ATOM 0 HG SER A 69 2.347 -7.124 0.625 1.00 0.00 H new ATOM 766 N TYR A 70 5.258 -4.614 -2.000 1.00 0.00 N ATOM 767 CA TYR A 70 5.688 -3.214 -2.035 1.00 0.00 C ATOM 768 C TYR A 70 5.073 -2.438 -3.193 1.00 0.00 C ATOM 769 O TYR A 70 4.506 -3.018 -4.120 1.00 0.00 O ATOM 770 CB TYR A 70 7.222 -3.085 -2.063 1.00 0.00 C ATOM 771 CG TYR A 70 7.909 -3.577 -3.324 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.080 -2.725 -4.434 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.423 -4.883 -3.370 1.00 0.00 C ATOM 774 CE1 TYR A 70 8.747 -3.185 -5.583 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.130 -5.329 -4.497 1.00 0.00 C ATOM 776 CZ TYR A 70 9.285 -4.487 -5.618 1.00 0.00 C ATOM 777 OH TYR A 70 9.945 -4.919 -6.723 1.00 0.00 O ATOM 0 H TYR A 70 5.403 -5.098 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 70 5.321 -2.769 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.481 -2.036 -1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.628 -3.634 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.697 -1.716 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.273 -5.548 -2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.847 -2.538 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.557 -6.321 -4.506 1.00 0.00 H new ATOM 0 HH TYR A 70 10.253 -5.838 -6.581 1.00 0.00 H new ATOM 787 N LEU A 71 5.204 -1.112 -3.125 1.00 0.00 N ATOM 788 CA LEU A 71 4.692 -0.122 -4.066 1.00 0.00 C ATOM 789 C LEU A 71 5.792 0.928 -4.227 1.00 0.00 C ATOM 790 O LEU A 71 6.256 1.461 -3.214 1.00 0.00 O ATOM 791 CB LEU A 71 3.409 0.517 -3.492 1.00 0.00 C ATOM 792 CG LEU A 71 2.199 -0.440 -3.458 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.167 -0.043 -2.389 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.532 -0.542 -4.833 1.00 0.00 C ATOM 0 H LEU A 71 5.708 -0.673 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 71 4.439 -0.567 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.611 0.869 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.152 1.392 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 71 2.589 -1.421 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.336 -0.748 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.637 -0.060 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.796 0.961 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.683 -1.223 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.186 0.444 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.252 -0.919 -5.560 1.00 0.00 H new ATOM 806 N VAL A 72 6.231 1.198 -5.457 1.00 0.00 N ATOM 807 CA VAL A 72 7.275 2.167 -5.810 1.00 0.00 C ATOM 808 C VAL A 72 6.940 2.673 -7.217 1.00 0.00 C ATOM 809 O VAL A 72 6.419 1.911 -8.033 1.00 0.00 O ATOM 810 CB VAL A 72 8.675 1.502 -5.705 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.832 0.278 -6.614 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.865 2.448 -5.959 1.00 0.00 C ATOM 0 H VAL A 72 5.851 0.724 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 72 7.307 3.016 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 72 8.709 1.194 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.832 -0.139 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.090 -0.473 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.686 0.575 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.798 1.893 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.791 2.864 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.848 3.258 -5.229 1.00 0.00 H new ATOM 822 N ALA A 73 7.174 3.953 -7.515 1.00 0.00 N ATOM 823 CA ALA A 73 7.078 4.409 -8.897 1.00 0.00 C ATOM 824 C ALA A 73 8.323 3.945 -9.648 1.00 0.00 C ATOM 825 O ALA A 73 9.374 3.773 -9.030 1.00 0.00 O ATOM 826 CB ALA A 73 6.918 5.927 -8.961 1.00 0.00 C ATOM 0 H ALA A 73 7.424 4.672 -6.837 1.00 0.00 H new ATOM 0 HA ALA A 73 6.194 3.980 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.849 6.242 -10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.011 6.220 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.780 6.404 -8.494 1.00 0.00 H new ATOM 832 N ALA A 74 8.243 3.815 -10.973 1.00 0.00 N ATOM 833 CA ALA A 74 9.343 3.268 -11.767 1.00 0.00 C ATOM 834 C ALA A 74 10.635 4.074 -11.617 1.00 0.00 C ATOM 835 O ALA A 74 11.729 3.531 -11.779 1.00 0.00 O ATOM 836 CB ALA A 74 8.939 3.168 -13.238 1.00 0.00 C ATOM 0 H ALA A 74 7.425 4.082 -11.520 1.00 0.00 H new ATOM 0 HA ALA A 74 9.549 2.269 -11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.768 2.759 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.072 2.514 -13.334 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.688 4.160 -13.615 1.00 0.00 H new ATOM 842 N ASP A 75 10.503 5.346 -11.255 1.00 0.00 N ATOM 843 CA ASP A 75 11.570 6.334 -11.160 1.00 0.00 C ATOM 844 C ASP A 75 11.827 6.727 -9.695 1.00 0.00 C ATOM 845 O ASP A 75 12.658 7.598 -9.443 1.00 0.00 O ATOM 846 CB ASP A 75 11.241 7.582 -12.005 1.00 0.00 C ATOM 847 CG ASP A 75 10.729 7.294 -13.418 1.00 0.00 C ATOM 848 OD1 ASP A 75 9.560 6.872 -13.559 1.00 0.00 O ATOM 849 OD2 ASP A 75 11.461 7.534 -14.406 1.00 0.00 O ATOM 0 H ASP A 75 9.594 5.737 -11.006 1.00 0.00 H new ATOM 0 HA ASP A 75 12.479 5.882 -11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.491 8.172 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.137 8.198 -12.079 1.00 0.00 H new ATOM 854 N ASP A 76 11.147 6.105 -8.722 1.00 0.00 N ATOM 855 CA ASP A 76 11.239 6.388 -7.275 1.00 0.00 C ATOM 856 C ASP A 76 12.117 5.352 -6.561 1.00 0.00 C ATOM 857 O ASP A 76 12.037 5.186 -5.345 1.00 0.00 O ATOM 858 CB ASP A 76 9.832 6.443 -6.630 1.00 0.00 C ATOM 859 CG ASP A 76 9.214 7.837 -6.571 1.00 0.00 C ATOM 860 OD1 ASP A 76 9.942 8.851 -6.640 1.00 0.00 O ATOM 861 OD2 ASP A 76 7.985 7.938 -6.382 1.00 0.00 O ATOM 0 H ASP A 76 10.486 5.356 -8.927 1.00 0.00 H new ATOM 0 HA ASP A 76 11.708 7.365 -7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.165 5.787 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.895 6.045 -5.617 1.00 0.00 H new ATOM 866 N GLN A 77 12.965 4.645 -7.310 1.00 0.00 N ATOM 867 CA GLN A 77 13.729 3.471 -6.888 1.00 0.00 C ATOM 868 C GLN A 77 14.392 3.629 -5.521 1.00 0.00 C ATOM 869 O GLN A 77 14.305 2.709 -4.706 1.00 0.00 O ATOM 870 CB GLN A 77 14.786 3.162 -7.949 1.00 0.00 C ATOM 871 CG GLN A 77 14.140 2.593 -9.216 1.00 0.00 C ATOM 872 CD GLN A 77 15.063 2.748 -10.415 1.00 0.00 C ATOM 873 OE1 GLN A 77 16.254 2.446 -10.342 1.00 0.00 O ATOM 874 NE2 GLN A 77 14.525 3.246 -11.510 1.00 0.00 N ATOM 0 H GLN A 77 13.147 4.891 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 77 13.023 2.647 -6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.337 4.070 -8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.508 2.448 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.905 1.539 -9.067 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.197 3.105 -9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.533 3.483 -11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.100 3.394 -12.339 1.00 0.00 H new ATOM 883 N ASP A 78 15.000 4.780 -5.241 1.00 0.00 N ATOM 884 CA ASP A 78 15.510 5.153 -3.919 1.00 0.00 C ATOM 885 C ASP A 78 14.930 6.494 -3.451 1.00 0.00 C ATOM 886 O ASP A 78 15.391 7.054 -2.455 1.00 0.00 O ATOM 887 CB ASP A 78 17.046 5.102 -3.876 1.00 0.00 C ATOM 888 CG ASP A 78 17.738 6.368 -4.386 1.00 0.00 C ATOM 889 OD1 ASP A 78 17.418 6.824 -5.509 1.00 0.00 O ATOM 890 OD2 ASP A 78 18.679 6.830 -3.697 1.00 0.00 O ATOM 0 H ASP A 78 15.157 5.500 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 78 15.165 4.411 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.362 4.919 -2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.385 4.253 -4.470 1.00 0.00 H new ATOM 895 N GLY A 79 13.880 6.978 -4.119 1.00 0.00 N ATOM 896 CA GLY A 79 13.097 8.147 -3.757 1.00 0.00 C ATOM 897 C GLY A 79 12.191 7.828 -2.576 1.00 0.00 C ATOM 898 O GLY A 79 12.437 8.315 -1.469 1.00 0.00 O ATOM 0 H GLY A 79 13.540 6.536 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.760 8.974 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.497 8.470 -4.608 1.00 0.00 H new ATOM 902 N THR A 80 11.181 6.980 -2.778 1.00 0.00 N ATOM 903 CA THR A 80 10.243 6.568 -1.736 1.00 0.00 C ATOM 904 C THR A 80 9.776 5.139 -2.029 1.00 0.00 C ATOM 905 O THR A 80 9.812 4.707 -3.182 1.00 0.00 O ATOM 906 CB THR A 80 9.042 7.535 -1.719 1.00 0.00 C ATOM 907 OG1 THR A 80 9.451 8.890 -1.791 1.00 0.00 O ATOM 908 CG2 THR A 80 8.241 7.450 -0.421 1.00 0.00 C ATOM 0 H THR A 80 10.990 6.554 -3.685 1.00 0.00 H new ATOM 0 HA THR A 80 10.726 6.594 -0.759 1.00 0.00 H new ATOM 0 HB THR A 80 8.447 7.236 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.662 9.471 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.407 8.151 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.858 6.437 -0.296 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.886 7.701 0.421 1.00 0.00 H new ATOM 916 N ILE A 81 9.311 4.407 -1.012 1.00 0.00 N ATOM 917 CA ILE A 81 8.686 3.101 -1.176 1.00 0.00 C ATOM 918 C ILE A 81 7.772 2.847 0.027 1.00 0.00 C ATOM 919 O ILE A 81 7.954 3.447 1.095 1.00 0.00 O ATOM 920 CB ILE A 81 9.790 2.016 -1.339 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.223 0.591 -1.517 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.797 2.021 -0.167 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.212 -0.359 -2.203 1.00 0.00 C ATOM 0 H ILE A 81 9.361 4.714 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 81 8.072 3.063 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 81 10.311 2.289 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.955 0.187 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.306 0.640 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.547 1.246 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.286 2.993 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.269 1.827 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.760 -1.346 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.461 0.027 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.120 -0.434 -1.604 1.00 0.00 H new ATOM 935 N ILE A 82 6.812 1.931 -0.112 1.00 0.00 N ATOM 936 CA ILE A 82 6.052 1.376 1.002 1.00 0.00 C ATOM 937 C ILE A 82 5.981 -0.140 0.801 1.00 0.00 C ATOM 938 O ILE A 82 6.093 -0.619 -0.326 1.00 0.00 O ATOM 939 CB ILE A 82 4.636 1.997 1.099 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.577 3.540 0.967 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.952 1.553 2.413 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.188 3.984 0.504 1.00 0.00 C ATOM 0 H ILE A 82 6.539 1.550 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 82 6.549 1.612 1.943 1.00 0.00 H new ATOM 0 HB ILE A 82 4.099 1.616 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.813 4.002 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.330 3.879 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.957 1.994 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.868 0.466 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.548 1.885 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.164 5.070 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.967 3.537 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.442 3.662 1.231 1.00 0.00 H new ATOM 954 N PHE A 83 5.763 -0.877 1.889 1.00 0.00 N ATOM 955 CA PHE A 83 5.653 -2.323 1.986 1.00 0.00 C ATOM 956 C PHE A 83 4.412 -2.640 2.842 1.00 0.00 C ATOM 957 O PHE A 83 4.016 -1.822 3.678 1.00 0.00 O ATOM 958 CB PHE A 83 6.927 -2.873 2.651 1.00 0.00 C ATOM 959 CG PHE A 83 8.246 -2.587 1.949 1.00 0.00 C ATOM 960 CD1 PHE A 83 8.925 -1.372 2.175 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.844 -3.564 1.135 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.191 -1.147 1.607 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.106 -3.333 0.558 1.00 0.00 C ATOM 964 CZ PHE A 83 10.783 -2.128 0.796 1.00 0.00 C ATOM 0 H PHE A 83 5.650 -0.435 2.801 1.00 0.00 H new ATOM 0 HA PHE A 83 5.548 -2.783 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.985 -2.467 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.821 -3.954 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.469 -0.609 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.332 -4.497 0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.709 -0.218 1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.556 -4.087 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.755 -1.956 0.358 1.00 0.00 H new ATOM 974 N PHE A 84 3.801 -3.818 2.706 1.00 0.00 N ATOM 975 CA PHE A 84 2.670 -4.275 3.519 1.00 0.00 C ATOM 976 C PHE A 84 2.493 -5.781 3.336 1.00 0.00 C ATOM 977 O PHE A 84 2.904 -6.351 2.322 1.00 0.00 O ATOM 978 CB PHE A 84 1.350 -3.571 3.115 1.00 0.00 C ATOM 979 CG PHE A 84 0.966 -3.790 1.662 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.543 -3.003 0.646 1.00 0.00 C ATOM 981 CD2 PHE A 84 0.094 -4.839 1.316 1.00 0.00 C ATOM 982 CE1 PHE A 84 1.281 -3.287 -0.705 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.171 -5.113 -0.035 1.00 0.00 C ATOM 984 CZ PHE A 84 0.423 -4.345 -1.049 1.00 0.00 C ATOM 0 H PHE A 84 4.087 -4.502 2.006 1.00 0.00 H new ATOM 0 HA PHE A 84 2.888 -4.030 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.544 -3.933 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.447 -2.501 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.189 -2.178 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.371 -5.433 2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.740 -2.691 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.838 -5.922 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.222 -4.566 -2.087 1.00 0.00 H new ATOM 994 N LYS A 85 1.799 -6.420 4.276 1.00 0.00 N ATOM 995 CA LYS A 85 1.360 -7.802 4.141 1.00 0.00 C ATOM 996 C LYS A 85 0.061 -7.938 4.912 1.00 0.00 C ATOM 997 O LYS A 85 0.020 -7.539 6.078 1.00 0.00 O ATOM 998 CB LYS A 85 2.442 -8.744 4.703 1.00 0.00 C ATOM 999 CG LYS A 85 2.948 -9.820 3.727 1.00 0.00 C ATOM 1000 CD LYS A 85 2.035 -11.032 3.607 1.00 0.00 C ATOM 1001 CE LYS A 85 0.930 -10.717 2.598 1.00 0.00 C ATOM 1002 NZ LYS A 85 -0.127 -11.732 2.518 1.00 0.00 N ATOM 0 H LYS A 85 1.525 -5.987 5.158 1.00 0.00 H new ATOM 0 HA LYS A 85 1.201 -8.070 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.291 -8.143 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.045 -9.239 5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.070 -9.372 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.934 -10.153 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.605 -11.903 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.602 -11.276 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.478 -9.760 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.379 -10.599 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.590 -11.679 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.289 -12.677 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.830 -11.561 3.265 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.998 -8.457 4.288 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.150 -8.920 5.035 1.00 0.00 C ATOM 1018 C ALA A 86 -1.819 -10.291 5.618 1.00 0.00 C ATOM 1019 O ALA A 86 -1.592 -11.247 4.876 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.380 -8.978 4.132 1.00 0.00 C ATOM 0 H ALA A 86 -1.074 -8.563 3.276 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.381 -8.230 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.237 -9.328 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.589 -7.984 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.193 -9.664 3.306 1.00 0.00 H new ATOM 1026 N GLU A 87 -1.813 -10.389 6.941 1.00 0.00 N ATOM 1027 CA GLU A 87 -1.499 -11.598 7.704 1.00 0.00 C ATOM 1028 C GLU A 87 -2.808 -12.271 8.176 1.00 0.00 C ATOM 1029 O GLU A 87 -2.843 -12.999 9.172 1.00 0.00 O ATOM 1030 CB GLU A 87 -0.555 -11.233 8.867 1.00 0.00 C ATOM 1031 CG GLU A 87 0.721 -10.454 8.477 1.00 0.00 C ATOM 1032 CD GLU A 87 1.823 -11.248 7.771 1.00 0.00 C ATOM 1033 OE1 GLU A 87 1.513 -12.190 7.010 1.00 0.00 O ATOM 1034 OE2 GLU A 87 3.011 -10.891 7.964 1.00 0.00 O ATOM 0 H GLU A 87 -2.036 -9.595 7.541 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.979 -12.325 7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.113 -10.640 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.257 -12.153 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.430 -9.627 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.143 -10.017 9.382 1.00 0.00 H new ATOM 1041 N GLY A 88 -3.919 -11.979 7.486 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.255 -12.467 7.796 1.00 0.00 C ATOM 1043 C GLY A 88 -5.933 -11.553 8.812 1.00 0.00 C ATOM 1044 O GLY A 88 -5.407 -11.317 9.900 1.00 0.00 O ATOM 0 H GLY A 88 -3.903 -11.372 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.852 -12.515 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.196 -13.481 8.192 1.00 0.00 H new ATOM 1048 N GLN A 89 -7.084 -10.993 8.426 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.850 -9.947 9.118 1.00 0.00 C ATOM 1050 C GLN A 89 -7.069 -8.697 9.540 1.00 0.00 C ATOM 1051 O GLN A 89 -7.680 -7.775 10.074 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.669 -10.526 10.278 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.666 -11.581 9.782 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.986 -11.521 10.532 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -11.095 -11.939 11.678 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -12.024 -11.018 9.890 1.00 0.00 N ATOM 0 H GLN A 89 -7.539 -11.278 7.559 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.529 -9.573 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.999 -10.972 11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.206 -9.723 10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.848 -11.434 8.717 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.230 -12.573 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.916 -10.674 8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.934 -10.973 10.348 1.00 0.00 H new ATOM 1065 N THR A 90 -5.778 -8.608 9.252 1.00 0.00 N ATOM 1066 CA THR A 90 -4.828 -7.700 9.865 1.00 0.00 C ATOM 1067 C THR A 90 -3.741 -7.419 8.828 1.00 0.00 C ATOM 1068 O THR A 90 -3.412 -8.308 8.040 1.00 0.00 O ATOM 1069 CB THR A 90 -4.232 -8.346 11.141 1.00 0.00 C ATOM 1070 OG1 THR A 90 -5.148 -9.222 11.786 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.830 -7.265 12.146 1.00 0.00 C ATOM 0 H THR A 90 -5.345 -9.202 8.545 1.00 0.00 H new ATOM 0 HA THR A 90 -5.306 -6.768 10.166 1.00 0.00 H new ATOM 0 HB THR A 90 -3.365 -8.921 10.816 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.256 -10.035 11.250 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.413 -7.734 13.037 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.083 -6.610 11.697 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.707 -6.679 12.421 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.202 -6.203 8.810 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.220 -5.734 7.837 1.00 0.00 C ATOM 1081 C VAL A 91 -1.169 -4.925 8.580 1.00 0.00 C ATOM 1082 O VAL A 91 -1.482 -3.820 9.022 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.898 -4.855 6.763 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.895 -4.327 5.720 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -3.989 -5.604 6.003 1.00 0.00 C ATOM 0 H VAL A 91 -3.446 -5.491 9.498 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.761 -6.586 7.335 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.333 -4.024 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.421 -3.715 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.135 -3.725 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.418 -5.167 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.434 -4.943 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.555 -6.471 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.758 -5.935 6.702 1.00 0.00 H new ATOM 1095 N ILE A 92 0.052 -5.438 8.733 1.00 0.00 N ATOM 1096 CA ILE A 92 1.202 -4.624 9.078 1.00 0.00 C ATOM 1097 C ILE A 92 1.646 -3.907 7.806 1.00 0.00 C ATOM 1098 O ILE A 92 2.247 -4.498 6.908 1.00 0.00 O ATOM 1099 CB ILE A 92 2.318 -5.477 9.706 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.775 -6.270 10.912 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.457 -4.565 10.203 1.00 0.00 C ATOM 1102 CD1 ILE A 92 1.347 -7.690 10.568 1.00 0.00 C ATOM 0 H ILE A 92 0.264 -6.429 8.620 1.00 0.00 H new ATOM 0 HA ILE A 92 0.946 -3.885 9.837 1.00 0.00 H new ATOM 0 HB ILE A 92 2.687 -6.166 8.946 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.542 -6.308 11.685 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.924 -5.735 11.334 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.244 -5.175 10.647 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.864 -4.001 9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.069 -3.873 10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.976 -8.186 11.465 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.557 -7.660 9.817 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.201 -8.242 10.175 1.00 0.00 H new ATOM 1114 N ILE A 93 1.337 -2.620 7.729 1.00 0.00 N ATOM 1115 CA ILE A 93 1.926 -1.707 6.772 1.00 0.00 C ATOM 1116 C ILE A 93 3.323 -1.379 7.299 1.00 0.00 C ATOM 1117 O ILE A 93 3.499 -1.083 8.488 1.00 0.00 O ATOM 1118 CB ILE A 93 1.075 -0.428 6.649 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.426 -0.732 6.439 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.632 0.445 5.513 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.290 0.532 6.431 1.00 0.00 C ATOM 0 H ILE A 93 0.655 -2.177 8.345 1.00 0.00 H new ATOM 0 HA ILE A 93 1.974 -2.151 5.778 1.00 0.00 H new ATOM 0 HB ILE A 93 1.142 0.116 7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.556 -1.262 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.772 -1.398 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.033 1.351 5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.665 0.714 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.594 -0.110 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.334 0.258 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.185 1.050 7.384 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.967 1.189 5.623 1.00 0.00 H new ATOM 1133 N LYS A 94 4.312 -1.401 6.410 1.00 0.00 N ATOM 1134 CA LYS A 94 5.703 -1.097 6.686 1.00 0.00 C ATOM 1135 C LYS A 94 6.202 -0.025 5.716 1.00 0.00 C ATOM 1136 O LYS A 94 6.451 -0.316 4.555 1.00 0.00 O ATOM 1137 CB LYS A 94 6.505 -2.404 6.592 1.00 0.00 C ATOM 1138 CG LYS A 94 6.193 -3.367 7.739 1.00 0.00 C ATOM 1139 CD LYS A 94 7.249 -4.476 7.863 1.00 0.00 C ATOM 1140 CE LYS A 94 7.798 -4.487 9.291 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.642 -5.666 9.538 1.00 0.00 N ATOM 0 H LYS A 94 4.152 -1.644 5.432 1.00 0.00 H new ATOM 0 HA LYS A 94 5.828 -0.690 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.287 -2.893 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.570 -2.174 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.140 -2.811 8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.213 -3.816 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.808 -5.443 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.057 -4.307 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.378 -3.581 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.970 -4.477 10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.265 -6.199 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.645 -6.274 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.614 -5.360 9.747 1.00 0.00 H new ATOM 1155 N TYR A 95 6.335 1.234 6.132 1.00 0.00 N ATOM 1156 CA TYR A 95 6.698 2.338 5.230 1.00 0.00 C ATOM 1157 C TYR A 95 7.999 3.001 5.662 1.00 0.00 C ATOM 1158 O TYR A 95 8.452 2.800 6.789 1.00 0.00 O ATOM 1159 CB TYR A 95 5.559 3.360 5.152 1.00 0.00 C ATOM 1160 CG TYR A 95 5.128 3.945 6.478 1.00 0.00 C ATOM 1161 CD1 TYR A 95 4.202 3.240 7.266 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.569 5.220 6.873 1.00 0.00 C ATOM 1163 CE1 TYR A 95 3.717 3.807 8.456 1.00 0.00 C ATOM 1164 CE2 TYR A 95 5.066 5.801 8.051 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.123 5.104 8.842 1.00 0.00 C ATOM 1166 OH TYR A 95 3.584 5.674 9.956 1.00 0.00 O ATOM 0 H TYR A 95 6.196 1.522 7.101 1.00 0.00 H new ATOM 0 HA TYR A 95 6.858 1.924 4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.867 4.175 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.697 2.884 4.685 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.863 2.262 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.292 5.752 6.273 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.032 3.250 9.078 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.401 6.782 8.353 1.00 0.00 H new ATOM 0 HH TYR A 95 3.968 6.566 10.085 1.00 0.00 H new ATOM 1176 N THR A 96 8.586 3.805 4.778 1.00 0.00 N ATOM 1177 CA THR A 96 9.729 4.665 5.044 1.00 0.00 C ATOM 1178 C THR A 96 9.721 5.794 4.014 1.00 0.00 C ATOM 1179 O THR A 96 8.985 5.740 3.026 1.00 0.00 O ATOM 1180 CB THR A 96 11.038 3.850 5.023 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.096 4.660 5.492 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.387 3.280 3.638 1.00 0.00 C ATOM 0 H THR A 96 8.260 3.875 3.814 1.00 0.00 H new ATOM 0 HA THR A 96 9.663 5.101 6.041 1.00 0.00 H new ATOM 0 HB THR A 96 10.889 2.990 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.897 4.497 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.320 2.719 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.587 2.619 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.502 4.098 2.926 1.00 0.00 H new ATOM 1190 N SER A 97 10.578 6.785 4.240 1.00 0.00 N ATOM 1191 CA SER A 97 10.851 7.882 3.325 1.00 0.00 C ATOM 1192 C SER A 97 12.259 7.763 2.723 1.00 0.00 C ATOM 1193 O SER A 97 12.579 8.472 1.770 1.00 0.00 O ATOM 1194 CB SER A 97 10.645 9.207 4.071 1.00 0.00 C ATOM 1195 OG SER A 97 9.506 9.154 4.919 1.00 0.00 O ATOM 0 H SER A 97 11.122 6.846 5.101 1.00 0.00 H new ATOM 0 HA SER A 97 10.159 7.845 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.531 9.434 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.527 10.017 3.351 1.00 0.00 H new ATOM 0 HG SER A 97 9.402 10.012 5.382 1.00 0.00 H new ATOM 1201 N GLN A 98 13.070 6.830 3.240 1.00 0.00 N ATOM 1202 CA GLN A 98 14.396 6.487 2.737 1.00 0.00 C ATOM 1203 C GLN A 98 14.529 4.966 2.713 1.00 0.00 C ATOM 1204 O GLN A 98 14.600 4.330 3.769 1.00 0.00 O ATOM 1205 CB GLN A 98 15.527 7.093 3.588 1.00 0.00 C ATOM 1206 CG GLN A 98 16.052 8.460 3.116 1.00 0.00 C ATOM 1207 CD GLN A 98 17.577 8.523 3.263 1.00 0.00 C ATOM 1208 OE1 GLN A 98 18.119 8.282 4.341 1.00 0.00 O ATOM 1209 NE2 GLN A 98 18.304 8.747 2.182 1.00 0.00 N ATOM 0 H GLN A 98 12.804 6.274 4.053 1.00 0.00 H new ATOM 0 HA GLN A 98 14.495 6.905 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.172 7.194 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.360 6.390 3.607 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.773 8.625 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.590 9.256 3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.847 8.946 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.322 8.721 2.238 1.00 0.00 H new ATOM 1218 N ARG A 99 14.618 4.380 1.518 1.00 0.00 N ATOM 1219 CA ARG A 99 14.842 2.957 1.269 1.00 0.00 C ATOM 1220 C ARG A 99 15.999 2.395 2.086 1.00 0.00 C ATOM 1221 O ARG A 99 15.936 1.236 2.505 1.00 0.00 O ATOM 1222 CB ARG A 99 15.005 2.724 -0.241 1.00 0.00 C ATOM 1223 CG ARG A 99 15.115 1.231 -0.594 1.00 0.00 C ATOM 1224 CD ARG A 99 14.772 0.999 -2.065 1.00 0.00 C ATOM 1225 NE ARG A 99 14.929 -0.416 -2.463 1.00 0.00 N ATOM 1226 CZ ARG A 99 14.692 -0.919 -3.687 1.00 0.00 C ATOM 1227 NH1 ARG A 99 14.358 -0.112 -4.690 1.00 0.00 N ATOM 1228 NH2 ARG A 99 14.805 -2.230 -3.897 1.00 0.00 N ATOM 0 H ARG A 99 14.531 4.914 0.653 1.00 0.00 H new ATOM 0 HA ARG A 99 13.968 2.401 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.154 3.157 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.896 3.245 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.126 0.877 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.441 0.652 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.745 1.314 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.414 1.622 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 99 15.245 -1.068 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.281 0.893 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.179 -0.498 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.071 -2.848 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.626 -2.615 -4.824 1.00 0.00 H new ATOM 1242 N ASN A 100 17.035 3.181 2.363 1.00 0.00 N ATOM 1243 CA ASN A 100 18.177 2.738 3.180 1.00 0.00 C ATOM 1244 C ASN A 100 17.963 2.741 4.696 1.00 0.00 C ATOM 1245 O ASN A 100 18.893 2.414 5.429 1.00 0.00 O ATOM 1246 CB ASN A 100 19.530 3.350 2.792 1.00 0.00 C ATOM 1247 CG ASN A 100 19.816 4.620 3.564 1.00 0.00 C ATOM 1248 OD1 ASN A 100 20.788 4.732 4.295 1.00 0.00 O ATOM 1249 ND2 ASN A 100 18.917 5.560 3.403 1.00 0.00 N ATOM 0 H ASN A 100 17.113 4.142 2.032 1.00 0.00 H new ATOM 0 HA ASN A 100 18.228 1.684 2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 100 20.323 2.626 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.538 3.565 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.009 6.444 3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.126 5.407 2.778 1.00 0.00 H new ATOM 1256 N THR A 101 16.766 3.060 5.179 1.00 0.00 N ATOM 1257 CA THR A 101 16.470 3.119 6.614 1.00 0.00 C ATOM 1258 C THR A 101 15.355 2.140 6.989 1.00 0.00 C ATOM 1259 O THR A 101 14.669 1.609 6.105 1.00 0.00 O ATOM 1260 CB THR A 101 16.192 4.570 7.043 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.082 5.138 6.367 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.415 5.461 6.808 1.00 0.00 C ATOM 0 H THR A 101 15.967 3.287 4.586 1.00 0.00 H new ATOM 0 HA THR A 101 17.345 2.793 7.176 1.00 0.00 H new ATOM 0 HB THR A 101 15.962 4.524 8.107 1.00 0.00 H new ATOM 0 HG1 THR A 101 15.027 4.769 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 101 17.188 6.480 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 101 18.257 5.083 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.671 5.455 5.749 1.00 0.00 H new ATOM 1270 N LYS A 102 15.183 1.874 8.291 1.00 0.00 N ATOM 1271 CA LYS A 102 14.238 0.866 8.763 1.00 0.00 C ATOM 1272 C LYS A 102 12.804 1.297 8.450 1.00 0.00 C ATOM 1273 O LYS A 102 12.519 2.481 8.248 1.00 0.00 O ATOM 1274 CB LYS A 102 14.463 0.588 10.265 1.00 0.00 C ATOM 1275 CG LYS A 102 13.922 -0.791 10.701 1.00 0.00 C ATOM 1276 CD LYS A 102 12.820 -0.729 11.766 1.00 0.00 C ATOM 1277 CE LYS A 102 12.089 -2.079 11.810 1.00 0.00 C ATOM 1278 NZ LYS A 102 11.016 -2.117 12.822 1.00 0.00 N ATOM 0 H LYS A 102 15.692 2.349 9.036 1.00 0.00 H new ATOM 0 HA LYS A 102 14.409 -0.073 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.529 0.642 10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.977 1.367 10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.535 -1.310 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.749 -1.388 11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.251 -0.503 12.741 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.118 0.072 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.664 -2.289 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.809 -2.870 12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.558 -3.050 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.421 -1.945 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.312 -1.382 12.609 1.00 0.00 H new ATOM 1292 N LEU A 103 11.894 0.326 8.399 1.00 0.00 N ATOM 1293 CA LEU A 103 10.489 0.558 8.103 1.00 0.00 C ATOM 1294 C LEU A 103 9.726 0.781 9.404 1.00 0.00 C ATOM 1295 O LEU A 103 9.979 0.090 10.390 1.00 0.00 O ATOM 1296 CB LEU A 103 9.902 -0.648 7.349 1.00 0.00 C ATOM 1297 CG LEU A 103 10.622 -0.990 6.029 1.00 0.00 C ATOM 1298 CD1 LEU A 103 9.888 -2.116 5.306 1.00 0.00 C ATOM 1299 CD2 LEU A 103 10.709 0.209 5.085 1.00 0.00 C ATOM 0 H LEU A 103 12.119 -0.655 8.565 1.00 0.00 H new ATOM 0 HA LEU A 103 10.396 1.443 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.935 -1.520 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.852 -0.450 7.134 1.00 0.00 H new ATOM 0 HG LEU A 103 11.634 -1.295 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.405 -2.349 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.866 -3.002 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.868 -1.802 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.225 -0.085 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.704 0.553 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.260 1.015 5.570 1.00 0.00 H new ATOM 1311 N LYS A 104 8.745 1.689 9.390 1.00 0.00 N ATOM 1312 CA LYS A 104 7.722 1.786 10.435 1.00 0.00 C ATOM 1313 C LYS A 104 6.921 0.476 10.493 1.00 0.00 C ATOM 1314 O LYS A 104 7.023 -0.362 9.594 1.00 0.00 O ATOM 1315 CB LYS A 104 6.774 2.974 10.157 1.00 0.00 C ATOM 1316 CG LYS A 104 7.312 4.377 10.483 1.00 0.00 C ATOM 1317 CD LYS A 104 8.284 4.965 9.450 1.00 0.00 C ATOM 1318 CE LYS A 104 8.271 6.501 9.535 1.00 0.00 C ATOM 1319 NZ LYS A 104 9.606 7.091 9.754 1.00 0.00 N ATOM 0 H LYS A 104 8.638 2.381 8.649 1.00 0.00 H new ATOM 0 HA LYS A 104 8.212 1.954 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.500 2.951 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.858 2.820 10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.466 5.056 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.814 4.340 11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.291 4.590 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.000 4.645 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.851 6.904 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.610 6.806 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.524 8.127 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.001 6.734 10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.235 6.829 8.968 1.00 0.00 H new ATOM 1333 N ALA A 105 6.040 0.341 11.487 1.00 0.00 N ATOM 1334 CA ALA A 105 5.066 -0.738 11.587 1.00 0.00 C ATOM 1335 C ALA A 105 3.735 -0.139 12.038 1.00 0.00 C ATOM 1336 O ALA A 105 3.621 0.355 13.165 1.00 0.00 O ATOM 1337 CB ALA A 105 5.554 -1.829 12.549 1.00 0.00 C ATOM 0 H ALA A 105 5.987 1.000 12.264 1.00 0.00 H new ATOM 0 HA ALA A 105 4.935 -1.217 10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.809 -2.623 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.496 -2.240 12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.704 -1.400 13.540 1.00 0.00 H new ATOM 1343 N LYS A 106 2.736 -0.160 11.157 1.00 0.00 N ATOM 1344 CA LYS A 106 1.378 0.333 11.383 1.00 0.00 C ATOM 1345 C LYS A 106 0.469 -0.854 11.108 1.00 0.00 C ATOM 1346 O LYS A 106 0.264 -1.199 9.948 1.00 0.00 O ATOM 1347 CB LYS A 106 1.128 1.520 10.436 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.192 2.284 10.601 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.068 3.382 11.654 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.220 4.382 11.565 1.00 0.00 C ATOM 1351 NZ LYS A 106 -1.095 5.409 12.616 1.00 0.00 N ATOM 0 H LYS A 106 2.858 -0.541 10.219 1.00 0.00 H new ATOM 0 HA LYS A 106 1.199 0.701 12.393 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.946 2.229 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.179 1.151 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.482 2.723 9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.983 1.591 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.051 2.934 12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.879 3.905 11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.223 4.856 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.171 3.860 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.886 6.080 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.115 4.953 13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.196 5.918 12.498 1.00 0.00 H new ATOM 1365 N ALA A 107 0.045 -1.564 12.152 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.849 -2.704 12.008 1.00 0.00 C ATOM 1367 C ALA A 107 -2.287 -2.188 12.069 1.00 0.00 C ATOM 1368 O ALA A 107 -2.616 -1.469 13.017 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.555 -3.747 13.092 1.00 0.00 C ATOM 0 H ALA A 107 0.312 -1.364 13.116 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.697 -3.202 11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.230 -4.595 12.974 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.476 -4.088 12.999 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.702 -3.301 14.076 1.00 0.00 H new ATOM 1375 N LEU A 108 -3.119 -2.510 11.077 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.552 -2.200 11.050 1.00 0.00 C ATOM 1377 C LEU A 108 -5.319 -3.508 10.873 1.00 0.00 C ATOM 1378 O LEU A 108 -4.773 -4.460 10.314 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.934 -1.265 9.882 1.00 0.00 C ATOM 1380 CG LEU A 108 -4.371 0.168 9.841 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -4.518 0.941 11.155 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -2.910 0.189 9.402 1.00 0.00 C ATOM 0 H LEU A 108 -2.806 -3.009 10.244 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.800 -1.694 11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.636 -1.759 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.021 -1.189 9.867 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.986 0.679 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.096 1.939 11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.574 1.021 11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.989 0.414 11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.550 1.218 9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.311 -0.394 10.102 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.824 -0.241 8.404 1.00 0.00 H new ATOM 1394 N THR A 109 -6.596 -3.566 11.253 1.00 0.00 N ATOM 1395 CA THR A 109 -7.483 -4.632 10.788 1.00 0.00 C ATOM 1396 C THR A 109 -7.871 -4.395 9.321 1.00 0.00 C ATOM 1397 O THR A 109 -7.885 -3.254 8.849 1.00 0.00 O ATOM 1398 CB THR A 109 -8.739 -4.756 11.681 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.032 -3.565 12.397 1.00 0.00 O ATOM 1400 CG2 THR A 109 -8.585 -5.891 12.692 1.00 0.00 C ATOM 0 H THR A 109 -7.037 -2.891 11.878 1.00 0.00 H new ATOM 0 HA THR A 109 -6.944 -5.577 10.858 1.00 0.00 H new ATOM 0 HB THR A 109 -9.562 -4.961 10.996 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.835 -3.700 12.942 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.483 -5.955 13.307 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.440 -6.833 12.163 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.722 -5.696 13.329 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.300 -5.460 8.625 1.00 0.00 N ATOM 1409 CA LEU A 110 -9.036 -5.375 7.365 1.00 0.00 C ATOM 1410 C LEU A 110 -10.161 -4.350 7.495 1.00 0.00 C ATOM 1411 O LEU A 110 -10.252 -3.411 6.706 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.659 -6.744 7.017 1.00 0.00 C ATOM 1413 CG LEU A 110 -8.761 -7.796 6.346 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -9.586 -9.055 6.039 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -8.168 -7.335 5.025 1.00 0.00 C ATOM 0 H LEU A 110 -8.139 -6.419 8.933 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.343 -5.077 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.050 -7.177 7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.512 -6.566 6.362 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.949 -7.983 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.949 -9.800 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.989 -9.461 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.406 -8.798 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.546 -8.128 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.972 -7.101 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.560 -6.446 5.190 1.00 0.00 H new ATOM 1427 N SER A 111 -11.013 -4.531 8.510 1.00 0.00 N ATOM 1428 CA SER A 111 -12.196 -3.707 8.671 1.00 0.00 C ATOM 1429 C SER A 111 -11.847 -2.229 8.864 1.00 0.00 C ATOM 1430 O SER A 111 -12.629 -1.404 8.401 1.00 0.00 O ATOM 1431 CB SER A 111 -13.066 -4.227 9.818 1.00 0.00 C ATOM 1432 OG SER A 111 -14.440 -4.011 9.527 1.00 0.00 O ATOM 0 H SER A 111 -10.897 -5.245 9.229 1.00 0.00 H new ATOM 0 HA SER A 111 -12.770 -3.777 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.882 -5.290 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.799 -3.721 10.746 1.00 0.00 H new ATOM 0 HG SER A 111 -14.988 -4.348 10.266 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.700 -1.882 9.470 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.274 -0.491 9.556 1.00 0.00 C ATOM 1440 C GLN A 112 -10.042 0.063 8.166 1.00 0.00 C ATOM 1441 O GLN A 112 -10.704 1.021 7.792 1.00 0.00 O ATOM 1442 CB GLN A 112 -9.013 -0.302 10.426 1.00 0.00 C ATOM 1443 CG GLN A 112 -9.324 0.087 11.874 1.00 0.00 C ATOM 1444 CD GLN A 112 -10.315 1.246 11.948 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -11.510 1.020 12.129 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -9.862 2.463 11.719 1.00 0.00 N ATOM 0 H GLN A 112 -10.060 -2.547 9.903 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.076 0.061 10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.436 -1.227 10.422 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.384 0.467 9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.732 -0.775 12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.401 0.365 12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -8.864 2.617 11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.509 3.251 11.688 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.157 -0.548 7.378 1.00 0.00 N ATOM 1456 CA LEU A 113 -8.846 -0.064 6.033 1.00 0.00 C ATOM 1457 C LEU A 113 -10.109 0.050 5.175 1.00 0.00 C ATOM 1458 O LEU A 113 -10.207 0.942 4.333 1.00 0.00 O ATOM 1459 CB LEU A 113 -7.837 -1.021 5.385 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.439 -1.009 6.031 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.592 -2.092 5.357 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -5.741 0.350 5.906 1.00 0.00 C ATOM 0 H LEU A 113 -8.640 -1.384 7.650 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.415 0.935 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.236 -2.034 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.738 -0.765 4.330 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.553 -1.203 7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.596 -2.102 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.063 -3.064 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.514 -1.881 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.760 0.300 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.624 0.603 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.342 1.114 6.398 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.094 -0.823 5.401 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.391 -0.729 4.756 1.00 0.00 C ATOM 1476 C LYS A 114 -13.202 0.463 5.286 1.00 0.00 C ATOM 1477 O LYS A 114 -13.815 1.163 4.483 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.145 -2.046 4.965 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.320 -2.115 3.985 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.442 -3.017 4.495 1.00 0.00 C ATOM 1481 CE LYS A 114 -16.661 -2.921 3.570 1.00 0.00 C ATOM 1482 NZ LYS A 114 -17.227 -1.555 3.511 1.00 0.00 N ATOM 0 H LYS A 114 -11.007 -1.614 6.039 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.245 -0.558 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.475 -2.891 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.507 -2.113 5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.711 -1.111 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.967 -2.485 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.095 -4.049 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.721 -2.725 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.376 -3.235 2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.429 -3.613 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.190 -1.595 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.258 -1.151 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.631 -0.958 2.902 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.285 0.659 6.606 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.021 1.766 7.218 1.00 0.00 C ATOM 1498 C LYS A 115 -13.467 3.077 6.683 1.00 0.00 C ATOM 1499 O LYS A 115 -14.229 3.912 6.207 1.00 0.00 O ATOM 1500 CB LYS A 115 -13.914 1.737 8.761 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.276 1.916 9.453 1.00 0.00 C ATOM 1502 CD LYS A 115 -15.886 0.596 9.945 1.00 0.00 C ATOM 1503 CE LYS A 115 -15.884 -0.510 8.880 1.00 0.00 C ATOM 1504 NZ LYS A 115 -16.625 -1.701 9.336 1.00 0.00 N ATOM 0 H LYS A 115 -12.837 0.045 7.286 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.076 1.668 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.474 0.790 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.238 2.526 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.159 2.592 10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.969 2.392 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.332 0.251 10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.911 0.776 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.331 -0.132 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.857 -0.788 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.969 -2.503 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.066 -1.504 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.363 -1.937 8.642 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.145 3.214 6.752 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.410 4.372 6.300 1.00 0.00 C ATOM 1520 C GLU A 116 -11.714 4.609 4.822 1.00 0.00 C ATOM 1521 O GLU A 116 -12.293 5.637 4.480 1.00 0.00 O ATOM 1522 CB GLU A 116 -9.906 4.179 6.561 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.484 4.105 8.041 1.00 0.00 C ATOM 1524 CD GLU A 116 -10.063 5.213 8.921 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -10.088 6.386 8.485 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -10.479 4.900 10.065 1.00 0.00 O ATOM 0 H GLU A 116 -11.542 2.489 7.140 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.719 5.257 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.586 3.262 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.367 5.001 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.790 3.140 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.396 4.144 8.098 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.369 3.662 3.945 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.162 3.959 2.531 1.00 0.00 C ATOM 1535 C PHE A 117 -11.949 3.058 1.596 1.00 0.00 C ATOM 1536 O PHE A 117 -11.726 3.085 0.390 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.679 3.862 2.198 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.767 4.626 3.117 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.962 5.996 3.384 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.709 3.933 3.716 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -8.076 6.670 4.242 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.812 4.613 4.538 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.998 5.979 4.817 1.00 0.00 C ATOM 0 H PHE A 117 -11.228 2.683 4.193 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.531 4.972 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.387 2.812 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.527 4.221 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.788 6.525 2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.588 2.874 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.224 7.718 4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -5.969 4.088 4.963 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.312 6.495 5.473 1.00 0.00 H new ATOM 1553 N TYR A 118 -12.927 2.292 2.070 1.00 0.00 N ATOM 1554 CA TYR A 118 -13.787 1.532 1.171 1.00 0.00 C ATOM 1555 C TYR A 118 -15.212 1.502 1.717 1.00 0.00 C ATOM 1556 O TYR A 118 -15.788 0.439 1.993 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.146 0.160 0.894 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.448 -0.398 -0.481 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -12.926 0.236 -1.632 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.285 -1.523 -0.614 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.214 -0.286 -2.909 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.591 -2.031 -1.887 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.040 -1.428 -3.039 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.361 -1.919 -4.266 1.00 0.00 O ATOM 0 H TYR A 118 -13.142 2.182 3.061 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.876 2.010 0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.066 0.246 1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.492 -0.549 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.309 1.117 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.693 -1.997 0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -12.804 0.186 -3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.248 -2.883 -1.985 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.185 -2.883 -4.289 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.772 2.705 1.904 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.005 2.884 2.634 1.00 0.00 C ATOM 1576 C GLN A 119 -18.166 3.251 1.708 1.00 0.00 C ATOM 1577 O GLN A 119 -19.290 2.798 1.930 1.00 0.00 O ATOM 1578 CB GLN A 119 -16.746 3.864 3.791 1.00 0.00 C ATOM 1579 CG GLN A 119 -17.052 5.355 3.603 1.00 0.00 C ATOM 1580 CD GLN A 119 -16.028 6.212 2.870 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -16.415 7.118 2.144 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.735 5.976 2.996 1.00 0.00 N ATOM 0 H GLN A 119 -15.372 3.573 1.548 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.333 1.946 3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -17.324 3.518 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -15.694 3.779 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.998 5.436 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.206 5.791 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -14.411 5.221 3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -14.060 6.548 2.489 1.00 0.00 H new ATOM 1591 N THR A 120 -17.888 4.015 0.652 1.00 0.00 N ATOM 1592 CA THR A 120 -18.875 4.575 -0.268 1.00 0.00 C ATOM 1593 C THR A 120 -18.820 3.847 -1.613 1.00 0.00 C ATOM 1594 O THR A 120 -17.748 3.393 -2.026 1.00 0.00 O ATOM 1595 CB THR A 120 -18.639 6.093 -0.395 1.00 0.00 C ATOM 1596 OG1 THR A 120 -19.488 6.653 -1.371 1.00 0.00 O ATOM 1597 CG2 THR A 120 -17.202 6.471 -0.771 1.00 0.00 C ATOM 0 H THR A 120 -16.932 4.270 0.405 1.00 0.00 H new ATOM 0 HA THR A 120 -19.884 4.428 0.119 1.00 0.00 H new ATOM 0 HB THR A 120 -18.851 6.489 0.598 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.323 7.617 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 120 -17.117 7.555 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.517 6.102 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 120 -16.948 6.025 -1.732 1.00 0.00 H new ATOM 1605 N ARG A 121 -19.944 3.708 -2.331 1.00 0.00 N ATOM 1606 CA ARG A 121 -19.934 3.097 -3.669 1.00 0.00 C ATOM 1607 C ARG A 121 -19.053 3.902 -4.626 1.00 0.00 C ATOM 1608 O ARG A 121 -18.463 3.306 -5.525 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.346 2.974 -4.268 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.140 1.766 -3.736 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.406 1.541 -4.583 1.00 0.00 C ATOM 1612 NE ARG A 121 -24.094 0.278 -4.254 1.00 0.00 N ATOM 1613 CZ ARG A 121 -25.314 -0.085 -4.674 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -26.053 0.680 -5.465 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -25.832 -1.250 -4.325 1.00 0.00 N ATOM 0 H ARG A 121 -20.865 4.008 -2.011 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.528 2.093 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.903 3.886 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.266 2.896 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.515 0.873 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.416 1.934 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.092 2.374 -4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.136 1.539 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.596 -0.378 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.698 1.584 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.977 0.365 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -25.302 -1.886 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -26.762 -1.513 -4.652 1.00 0.00 H new ATOM 1629 N SER A 122 -18.903 5.217 -4.437 1.00 0.00 N ATOM 1630 CA SER A 122 -18.018 6.019 -5.279 1.00 0.00 C ATOM 1631 C SER A 122 -16.588 5.477 -5.254 1.00 0.00 C ATOM 1632 O SER A 122 -15.966 5.349 -6.302 1.00 0.00 O ATOM 1633 CB SER A 122 -18.096 7.495 -4.870 1.00 0.00 C ATOM 1634 OG SER A 122 -18.633 8.255 -5.936 1.00 0.00 O ATOM 0 H SER A 122 -19.383 5.745 -3.709 1.00 0.00 H new ATOM 0 HA SER A 122 -18.353 5.948 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.719 7.604 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.104 7.864 -4.611 1.00 0.00 H new ATOM 0 HG SER A 122 -18.684 9.198 -5.673 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.103 5.029 -4.094 1.00 0.00 N ATOM 1641 CA GLN A 123 -14.758 4.485 -3.961 1.00 0.00 C ATOM 1642 C GLN A 123 -14.531 3.231 -4.808 1.00 0.00 C ATOM 1643 O GLN A 123 -13.385 2.852 -5.026 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.488 4.152 -2.484 1.00 0.00 C ATOM 1645 CG GLN A 123 -13.270 4.877 -1.922 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.697 5.671 -0.703 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -13.899 4.969 0.398 1.00 0.00 O flip ATOM 1648 NE2 GLN A 123 -13.974 6.864 -0.772 1.00 0.00 N flip ATOM 0 H GLN A 123 -16.634 5.035 -3.223 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.069 5.247 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.365 4.414 -1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -14.343 3.077 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -12.494 4.160 -1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -12.844 5.540 -2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -13.806 7.377 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -14.373 7.343 0.036 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.595 2.557 -5.251 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.490 1.369 -6.086 1.00 0.00 C ATOM 1659 C LYS A 124 -15.194 1.727 -7.541 1.00 0.00 C ATOM 1660 O LYS A 124 -15.085 0.814 -8.353 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.784 0.547 -6.009 1.00 0.00 C ATOM 1662 CG LYS A 124 -17.215 0.256 -4.565 1.00 0.00 C ATOM 1663 CD LYS A 124 -18.359 -0.762 -4.492 1.00 0.00 C ATOM 1664 CE LYS A 124 -17.859 -2.184 -4.218 1.00 0.00 C ATOM 1665 NZ LYS A 124 -16.983 -2.722 -5.286 1.00 0.00 N ATOM 0 H LYS A 124 -16.556 2.825 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.658 0.775 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.582 1.085 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.643 -0.395 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.361 -0.120 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.527 1.185 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -19.055 -0.467 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -18.913 -0.749 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.314 -2.193 -3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.717 -2.845 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -17.049 -3.760 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -17.286 -2.344 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -15.999 -2.440 -5.103 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.116 3.008 -7.901 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.321 3.425 -9.041 1.00 0.00 C ATOM 1681 C ARG A 125 -12.908 3.568 -8.525 1.00 0.00 C ATOM 1682 O ARG A 125 -12.131 2.644 -8.691 1.00 0.00 O ATOM 1683 CB ARG A 125 -14.887 4.711 -9.662 1.00 0.00 C ATOM 1684 CG ARG A 125 -15.965 4.513 -10.741 1.00 0.00 C ATOM 1685 CD ARG A 125 -16.785 3.214 -10.746 1.00 0.00 C ATOM 1686 NE ARG A 125 -16.085 2.074 -11.367 1.00 0.00 N ATOM 1687 CZ ARG A 125 -16.079 1.760 -12.668 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -16.440 2.628 -13.605 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -15.720 0.540 -13.030 1.00 0.00 N ATOM 0 H ARG A 125 -15.594 3.768 -7.417 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.342 2.700 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.306 5.324 -8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.063 5.275 -10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.666 5.344 -10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.478 4.598 -11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.044 2.954 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.721 3.387 -11.277 1.00 0.00 H new ATOM 0 HE ARG A 125 -15.554 1.466 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -16.734 3.569 -13.343 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -16.423 2.354 -14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -15.453 -0.144 -12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -15.710 0.283 -14.017 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.586 4.671 -7.860 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.212 5.115 -7.679 1.00 0.00 C ATOM 1705 C GLU A 126 -10.282 4.055 -7.115 1.00 0.00 C ATOM 1706 O GLU A 126 -9.326 3.682 -7.775 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.209 6.347 -6.764 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.351 7.639 -7.560 1.00 0.00 C ATOM 1709 CD GLU A 126 -12.613 7.654 -8.416 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -13.691 7.360 -7.857 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -12.540 7.970 -9.629 1.00 0.00 O ATOM 0 H GLU A 126 -13.277 5.286 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 126 -10.824 5.350 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.026 6.270 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.282 6.373 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.370 8.486 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -10.478 7.767 -8.201 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.537 3.565 -5.908 1.00 0.00 N ATOM 1719 CA VAL A 127 -9.651 2.592 -5.264 1.00 0.00 C ATOM 1720 C VAL A 127 -9.456 1.361 -6.164 1.00 0.00 C ATOM 1721 O VAL A 127 -8.369 0.795 -6.217 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.229 2.229 -3.882 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.506 1.078 -3.169 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.157 3.458 -2.959 1.00 0.00 C ATOM 0 H VAL A 127 -11.351 3.824 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.661 3.024 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.251 1.903 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -9.980 0.892 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.563 0.178 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.461 1.346 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -10.565 3.203 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.118 3.770 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -10.736 4.273 -3.393 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.505 0.947 -6.869 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.524 -0.232 -7.725 1.00 0.00 C ATOM 1736 C ASP A 128 -9.816 0.021 -9.064 1.00 0.00 C ATOM 1737 O ASP A 128 -9.212 -0.896 -9.625 1.00 0.00 O ATOM 1738 CB ASP A 128 -11.992 -0.593 -7.934 1.00 0.00 C ATOM 1739 CG ASP A 128 -12.194 -1.964 -8.558 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -11.821 -2.982 -7.932 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -12.939 -2.037 -9.561 1.00 0.00 O ATOM 0 H ASP A 128 -11.397 1.442 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.981 -1.053 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.507 -0.560 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.456 0.160 -8.571 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.849 1.270 -9.543 1.00 0.00 N ATOM 1747 CA ASP A 129 -8.999 1.806 -10.604 1.00 0.00 C ATOM 1748 C ASP A 129 -7.543 1.757 -10.159 1.00 0.00 C ATOM 1749 O ASP A 129 -6.712 1.217 -10.879 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.404 3.228 -11.033 1.00 0.00 C ATOM 1751 CG ASP A 129 -8.245 4.002 -11.682 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -7.717 3.564 -12.727 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -7.898 5.085 -11.157 1.00 0.00 O ATOM 0 H ASP A 129 -10.502 1.965 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.132 1.180 -11.486 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.235 3.169 -11.736 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.761 3.778 -10.163 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.220 2.252 -8.962 1.00 0.00 N ATOM 1759 CA TYR A 130 -5.848 2.312 -8.477 1.00 0.00 C ATOM 1760 C TYR A 130 -5.232 0.904 -8.425 1.00 0.00 C ATOM 1761 O TYR A 130 -4.062 0.742 -8.776 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.761 2.977 -7.093 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.407 4.339 -6.834 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.834 5.206 -7.862 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -6.625 4.722 -5.496 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.486 6.417 -7.548 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.255 5.931 -5.173 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.667 6.800 -6.200 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.246 7.987 -5.867 1.00 0.00 O ATOM 0 H TYR A 130 -7.906 2.622 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.282 2.925 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.190 2.278 -6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.703 3.074 -6.851 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.661 4.941 -8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.299 4.068 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.848 7.054 -8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.424 6.195 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.283 8.070 -4.891 1.00 0.00 H new ATOM 1779 N VAL A 131 -5.995 -0.125 -8.027 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.522 -1.515 -8.042 1.00 0.00 C ATOM 1781 C VAL A 131 -5.239 -1.986 -9.474 1.00 0.00 C ATOM 1782 O VAL A 131 -4.341 -2.800 -9.680 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.535 -2.461 -7.355 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.078 -3.931 -7.382 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -6.763 -2.116 -5.879 1.00 0.00 C ATOM 0 H VAL A 131 -6.951 -0.017 -7.688 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.590 -1.548 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.452 -2.326 -7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.824 -4.553 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.962 -4.257 -8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.125 -4.025 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.483 -2.813 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.819 -2.190 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.149 -1.100 -5.798 1.00 0.00 H new ATOM 1795 N ALA A 132 -5.992 -1.514 -10.467 1.00 0.00 N ATOM 1796 CA ALA A 132 -5.800 -1.925 -11.848 1.00 0.00 C ATOM 1797 C ALA A 132 -4.742 -1.084 -12.569 1.00 0.00 C ATOM 1798 O ALA A 132 -4.189 -1.551 -13.563 1.00 0.00 O ATOM 1799 CB ALA A 132 -7.140 -1.847 -12.576 1.00 0.00 C ATOM 0 H ALA A 132 -6.746 -0.841 -10.333 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.430 -2.950 -11.851 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.009 -2.153 -13.614 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.857 -2.509 -12.090 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.512 -0.823 -12.544 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.479 0.138 -12.105 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.559 1.083 -12.718 1.00 0.00 C ATOM 1807 C GLY A 133 -2.133 0.893 -12.215 1.00 0.00 C ATOM 1808 O GLY A 133 -1.184 1.112 -12.970 1.00 0.00 O ATOM 0 H GLY A 133 -4.919 0.505 -11.261 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.581 0.962 -13.801 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -3.887 2.100 -12.504 1.00 0.00 H new ATOM 1812 N LEU A 134 -1.952 0.473 -10.954 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.643 0.001 -10.513 1.00 0.00 C ATOM 1814 C LEU A 134 -0.232 -1.136 -11.442 1.00 0.00 C ATOM 1815 O LEU A 134 -0.990 -2.076 -11.686 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.580 -0.355 -9.015 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.558 -1.434 -8.517 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -1.068 -2.881 -8.610 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.870 -1.178 -7.041 1.00 0.00 C ATOM 0 H LEU A 134 -2.681 0.452 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 134 0.083 0.810 -10.588 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.434 -0.684 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.757 0.555 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.418 -1.346 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.840 -3.551 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.853 -3.126 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -0.162 -2.997 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.563 -1.938 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.948 -1.221 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.322 -0.192 -6.930 1.00 0.00 H new ATOM 1831 N ARG A 135 0.947 -0.986 -12.026 1.00 0.00 N ATOM 1832 CA ARG A 135 1.548 -1.970 -12.916 1.00 0.00 C ATOM 1833 C ARG A 135 2.157 -3.046 -12.025 1.00 0.00 C ATOM 1834 O ARG A 135 2.255 -2.870 -10.810 1.00 0.00 O ATOM 1835 CB ARG A 135 2.576 -1.263 -13.823 1.00 0.00 C ATOM 1836 CG ARG A 135 1.890 -0.281 -14.798 1.00 0.00 C ATOM 1837 CD ARG A 135 2.811 0.832 -15.316 1.00 0.00 C ATOM 1838 NE ARG A 135 3.625 0.428 -16.469 1.00 0.00 N ATOM 1839 CZ ARG A 135 4.455 1.221 -17.158 1.00 0.00 C ATOM 1840 NH1 ARG A 135 4.613 2.497 -16.835 1.00 0.00 N ATOM 1841 NH2 ARG A 135 5.122 0.727 -18.193 1.00 0.00 N ATOM 0 H ARG A 135 1.527 -0.158 -11.892 1.00 0.00 H new ATOM 0 HA ARG A 135 0.828 -2.441 -13.585 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.295 -0.723 -13.207 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.136 -2.007 -14.389 1.00 0.00 H new ATOM 0 HG2 ARG A 135 1.501 -0.842 -15.648 1.00 0.00 H new ATOM 0 HG3 ARG A 135 1.035 0.173 -14.298 1.00 0.00 H new ATOM 0 HD2 ARG A 135 2.205 1.695 -15.593 1.00 0.00 H new ATOM 0 HD3 ARG A 135 3.471 1.152 -14.509 1.00 0.00 H new ATOM 0 HE ARG A 135 3.552 -0.543 -16.772 1.00 0.00 H new ATOM 0 HH11 ARG A 135 4.097 2.892 -16.049 1.00 0.00 H new ATOM 0 HH12 ARG A 135 5.250 3.084 -17.373 1.00 0.00 H new ATOM 0 HH21 ARG A 135 5.000 -0.250 -18.459 1.00 0.00 H new ATOM 0 HH22 ARG A 135 5.756 1.325 -18.723 1.00 0.00 H new ATOM 1855 N THR A 136 2.548 -4.187 -12.569 1.00 0.00 N ATOM 1856 CA THR A 136 3.145 -5.285 -11.803 1.00 0.00 C ATOM 1857 C THR A 136 4.383 -5.848 -12.506 1.00 0.00 C ATOM 1858 O THR A 136 4.974 -6.839 -12.067 1.00 0.00 O ATOM 1859 CB THR A 136 2.047 -6.312 -11.467 1.00 0.00 C ATOM 1860 OG1 THR A 136 0.894 -5.642 -10.972 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.472 -7.420 -10.498 1.00 0.00 C ATOM 0 H THR A 136 2.462 -4.386 -13.566 1.00 0.00 H new ATOM 0 HA THR A 136 3.534 -4.929 -10.849 1.00 0.00 H new ATOM 0 HB THR A 136 1.826 -6.822 -12.405 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.199 -6.300 -10.761 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.632 -8.093 -10.323 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.302 -7.980 -10.928 1.00 0.00 H new ATOM 0 HG23 THR A 136 2.784 -6.976 -9.553 1.00 0.00 H new ATOM 1869 N GLU A 137 4.799 -5.194 -13.588 1.00 0.00 N ATOM 1870 CA GLU A 137 6.086 -5.297 -14.246 1.00 0.00 C ATOM 1871 C GLU A 137 6.101 -4.154 -15.250 1.00 0.00 C ATOM 1872 O GLU A 137 6.663 -4.300 -16.353 1.00 0.00 O ATOM 1873 CB GLU A 137 6.240 -6.688 -14.908 1.00 0.00 C ATOM 1874 CG GLU A 137 7.641 -7.301 -14.740 1.00 0.00 C ATOM 1875 CD GLU A 137 7.649 -8.532 -13.820 1.00 0.00 C ATOM 1876 OE1 GLU A 137 6.930 -9.518 -14.124 1.00 0.00 O ATOM 1877 OE2 GLU A 137 8.437 -8.560 -12.845 1.00 0.00 O ATOM 0 H GLU A 137 4.190 -4.526 -14.060 1.00 0.00 H new ATOM 0 HA GLU A 137 6.929 -5.215 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 137 5.502 -7.367 -14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 137 6.016 -6.601 -15.971 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.028 -7.583 -15.719 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.316 -6.547 -14.335 1.00 0.00 H new TER 1884 GLU A 137