USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 844 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 41 SER OG : rot -88:sc= 0.611 USER MOD Set 1.2: A 42 SER OG : rot -170:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.16) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.179 F(o=-1.2,f=-0.18) USER MOD Single : A 29 MET CE :methyl -159:sc= -0.181 (180deg=-0.711) USER MOD Single : A 32 TYR OH : rot 50:sc= -0.934 USER MOD Single : A 33 ASN : amide:sc= -12.5! C(o=-12!,f=-16!) USER MOD Single : A 36 SER OG : rot -140:sc= 0.0229 USER MOD Single : A 37 ASN : amide:sc= -2.15! C(o=-2.1!,f=-6.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00284 K(o=-0.0028,f=-2.6!) USER MOD Single : A 56 SER OG : rot -74:sc= 1.04 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0399 USER MOD Single : A 63 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.73) USER MOD Single : A 69 THR OG1 : rot 40:sc= -1.68! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= -0.0031 (180deg=-0.0031) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.1!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.152 USER MOD Single : A 84 HIS : no HD1:sc= -1.33! X(o=-1.3!,f=-0.99) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 122:sc= 0.377 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.849 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -1:sc= -3.86! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.4!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.724 F(o=-1.2!,f=-0.72) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 89:sc= -3.5! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0489 K(o=-0.049,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -18.986 0.183 16.548 1.00 0.00 N ATOM 2 CA GLY A 9 -18.672 1.461 17.324 1.00 0.00 C ATOM 3 C GLY A 9 -17.307 2.055 17.242 1.00 0.00 C ATOM 4 O GLY A 9 -17.075 3.163 17.684 1.00 0.00 O ATOM 0 HA2 GLY A 9 -19.380 2.223 16.997 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -18.879 1.263 18.376 1.00 0.00 H new ATOM 7 N ALA A 10 -16.371 1.341 16.675 1.00 0.00 N ATOM 8 CA ALA A 10 -14.988 1.886 16.565 1.00 0.00 C ATOM 9 C ALA A 10 -14.136 0.956 15.698 1.00 0.00 C ATOM 10 O ALA A 10 -14.572 -0.113 15.317 1.00 0.00 O ATOM 11 CB ALA A 10 -14.369 1.988 17.960 1.00 0.00 C ATOM 0 H ALA A 10 -16.504 0.408 16.285 1.00 0.00 H new ATOM 0 HA ALA A 10 -15.025 2.875 16.108 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.358 2.386 17.881 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.973 2.652 18.579 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.335 0.999 18.416 1.00 0.00 H new ATOM 17 N PRO A 11 -12.939 1.398 15.414 1.00 0.00 N ATOM 18 CA PRO A 11 -11.957 0.644 14.583 1.00 0.00 C ATOM 19 C PRO A 11 -11.211 -0.389 15.437 1.00 0.00 C ATOM 20 O PRO A 11 -11.355 -0.434 16.643 1.00 0.00 O ATOM 21 CB PRO A 11 -11.015 1.737 14.095 1.00 0.00 C ATOM 22 CG PRO A 11 -11.109 2.891 15.090 1.00 0.00 C ATOM 23 CD PRO A 11 -12.408 2.715 15.887 1.00 0.00 C ATOM 0 HA PRO A 11 -12.414 0.081 13.770 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.993 1.364 14.033 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.295 2.068 13.095 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.248 2.891 15.758 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.107 3.848 14.567 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.221 2.709 16.961 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.111 3.524 15.690 1.00 0.00 H new ATOM 31 N VAL A 12 -10.419 -1.215 14.814 1.00 0.00 N ATOM 32 CA VAL A 12 -9.659 -2.252 15.568 1.00 0.00 C ATOM 33 C VAL A 12 -8.419 -2.626 14.756 1.00 0.00 C ATOM 34 O VAL A 12 -8.326 -2.281 13.601 1.00 0.00 O ATOM 35 CB VAL A 12 -10.549 -3.485 15.751 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.524 -3.244 16.904 1.00 0.00 C ATOM 37 CG2 VAL A 12 -11.335 -3.739 14.463 1.00 0.00 C ATOM 0 H VAL A 12 -10.264 -1.217 13.806 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.361 -1.875 16.546 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.928 -4.352 15.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.157 -4.121 17.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.965 -3.061 17.821 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.146 -2.378 16.679 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.969 -4.616 14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.956 -2.872 14.239 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.640 -3.910 13.641 1.00 0.00 H new ATOM 47 N PRO A 13 -7.502 -3.322 15.374 1.00 0.00 N ATOM 48 CA PRO A 13 -6.242 -3.768 14.704 1.00 0.00 C ATOM 49 C PRO A 13 -6.522 -4.970 13.798 1.00 0.00 C ATOM 50 O PRO A 13 -7.510 -5.660 13.956 1.00 0.00 O ATOM 51 CB PRO A 13 -5.342 -4.149 15.874 1.00 0.00 C ATOM 52 CG PRO A 13 -6.257 -4.473 17.049 1.00 0.00 C ATOM 53 CD PRO A 13 -7.591 -3.757 16.804 1.00 0.00 C ATOM 0 HA PRO A 13 -5.794 -3.010 14.062 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.721 -5.008 15.620 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.667 -3.331 16.124 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.409 -5.549 17.132 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.810 -4.141 17.986 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.439 -4.422 16.968 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.718 -2.907 17.474 1.00 0.00 H new ATOM 61 N VAL A 14 -5.666 -5.224 12.846 1.00 0.00 N ATOM 62 CA VAL A 14 -5.895 -6.376 11.931 1.00 0.00 C ATOM 63 C VAL A 14 -5.003 -7.549 12.337 1.00 0.00 C ATOM 64 O VAL A 14 -3.851 -7.377 12.686 1.00 0.00 O ATOM 65 CB VAL A 14 -5.569 -5.968 10.503 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.277 -6.913 9.529 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.016 -4.524 10.233 1.00 0.00 C ATOM 0 H VAL A 14 -4.820 -4.684 12.663 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.940 -6.678 11.996 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.490 -6.029 10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.044 -6.621 8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.938 -7.934 9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.354 -6.857 9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.773 -4.254 9.205 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.092 -4.442 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.501 -3.850 10.917 1.00 0.00 H new ATOM 77 N ASP A 15 -5.527 -8.742 12.288 1.00 0.00 N ATOM 78 CA ASP A 15 -4.716 -9.934 12.664 1.00 0.00 C ATOM 79 C ASP A 15 -4.048 -10.501 11.408 1.00 0.00 C ATOM 80 O ASP A 15 -4.661 -10.607 10.364 1.00 0.00 O ATOM 81 CB ASP A 15 -5.637 -10.998 13.286 1.00 0.00 C ATOM 82 CG ASP A 15 -6.937 -11.079 12.482 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.859 -11.053 11.265 1.00 0.00 O ATOM 84 OD2 ASP A 15 -7.987 -11.165 13.096 1.00 0.00 O ATOM 0 H ASP A 15 -6.485 -8.944 12.003 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.951 -9.651 13.387 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.139 -11.968 13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.854 -10.745 14.324 1.00 0.00 H new ATOM 89 N GLU A 16 -2.796 -10.866 11.494 1.00 0.00 N ATOM 90 CA GLU A 16 -2.101 -11.421 10.301 1.00 0.00 C ATOM 91 C GLU A 16 -2.266 -12.943 10.283 1.00 0.00 C ATOM 92 O GLU A 16 -1.445 -13.659 9.748 1.00 0.00 O ATOM 93 CB GLU A 16 -0.612 -11.061 10.361 1.00 0.00 C ATOM 94 CG GLU A 16 0.054 -11.421 9.032 1.00 0.00 C ATOM 95 CD GLU A 16 0.308 -10.146 8.226 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.511 -9.111 8.840 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.296 -10.226 7.008 1.00 0.00 O ATOM 0 H GLU A 16 -2.227 -10.803 12.338 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.534 -10.999 9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.492 -9.997 10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.130 -11.597 11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.994 -11.942 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.583 -12.101 8.466 1.00 0.00 H new ATOM 104 N ASN A 17 -3.325 -13.443 10.866 1.00 0.00 N ATOM 105 CA ASN A 17 -3.543 -14.912 10.885 1.00 0.00 C ATOM 106 C ASN A 17 -4.488 -15.309 9.749 1.00 0.00 C ATOM 107 O ASN A 17 -4.529 -16.450 9.334 1.00 0.00 O ATOM 108 CB ASN A 17 -4.161 -15.310 12.226 1.00 0.00 C ATOM 109 CG ASN A 17 -3.135 -15.099 13.342 1.00 0.00 C ATOM 110 OD1 ASN A 17 -2.496 -16.035 13.782 1.00 0.00 O ATOM 111 ND2 ASN A 17 -2.946 -13.900 13.823 1.00 0.00 N ATOM 0 H ASN A 17 -4.047 -12.892 11.330 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.590 -15.423 10.752 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.053 -14.713 12.419 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.475 -16.353 12.199 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.264 -13.750 14.566 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.481 -13.113 13.456 1.00 0.00 H new ATOM 118 N ASP A 18 -5.251 -14.380 9.241 1.00 0.00 N ATOM 119 CA ASP A 18 -6.193 -14.712 8.133 1.00 0.00 C ATOM 120 C ASP A 18 -5.442 -14.691 6.798 1.00 0.00 C ATOM 121 O ASP A 18 -4.837 -13.703 6.431 1.00 0.00 O ATOM 122 CB ASP A 18 -7.322 -13.681 8.097 1.00 0.00 C ATOM 123 CG ASP A 18 -8.330 -14.068 7.013 1.00 0.00 C ATOM 124 OD1 ASP A 18 -8.398 -15.243 6.687 1.00 0.00 O ATOM 125 OD2 ASP A 18 -9.015 -13.185 6.525 1.00 0.00 O ATOM 0 H ASP A 18 -5.263 -13.406 9.544 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.611 -15.705 8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.816 -13.632 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.917 -12.689 7.895 1.00 0.00 H new ATOM 130 N GLU A 19 -5.467 -15.776 6.072 1.00 0.00 N ATOM 131 CA GLU A 19 -4.745 -15.818 4.766 1.00 0.00 C ATOM 132 C GLU A 19 -5.645 -15.266 3.638 1.00 0.00 C ATOM 133 O GLU A 19 -5.236 -15.193 2.496 1.00 0.00 O ATOM 134 CB GLU A 19 -4.333 -17.279 4.484 1.00 0.00 C ATOM 135 CG GLU A 19 -4.323 -17.563 2.982 1.00 0.00 C ATOM 136 CD GLU A 19 -3.215 -16.749 2.311 1.00 0.00 C ATOM 137 OE1 GLU A 19 -2.510 -16.049 3.019 1.00 0.00 O ATOM 138 OE2 GLU A 19 -3.089 -16.839 1.101 1.00 0.00 O ATOM 0 H GLU A 19 -5.955 -16.635 6.326 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.853 -15.192 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.344 -17.469 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.025 -17.959 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.165 -18.627 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.289 -17.308 2.547 1.00 0.00 H new ATOM 145 N GLY A 20 -6.859 -14.877 3.937 1.00 0.00 N ATOM 146 CA GLY A 20 -7.750 -14.343 2.865 1.00 0.00 C ATOM 147 C GLY A 20 -7.305 -12.932 2.463 1.00 0.00 C ATOM 148 O GLY A 20 -7.665 -12.436 1.414 1.00 0.00 O ATOM 0 H GLY A 20 -7.269 -14.906 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.723 -15.002 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.782 -14.321 3.216 1.00 0.00 H new ATOM 152 N LEU A 21 -6.532 -12.279 3.288 1.00 0.00 N ATOM 153 CA LEU A 21 -6.072 -10.901 2.957 1.00 0.00 C ATOM 154 C LEU A 21 -4.998 -10.951 1.865 1.00 0.00 C ATOM 155 O LEU A 21 -4.657 -9.947 1.273 1.00 0.00 O ATOM 156 CB LEU A 21 -5.493 -10.259 4.217 1.00 0.00 C ATOM 157 CG LEU A 21 -4.919 -8.886 3.879 1.00 0.00 C ATOM 158 CD1 LEU A 21 -6.050 -7.950 3.451 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.229 -8.318 5.118 1.00 0.00 C ATOM 0 H LEU A 21 -6.198 -12.643 4.181 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.915 -10.314 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.269 -10.162 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.714 -10.896 4.636 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.200 -8.977 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.639 -6.970 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.549 -8.360 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.769 -7.852 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.815 -7.337 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.953 -8.225 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.425 -8.987 5.426 1.00 0.00 H new ATOM 171 N GLN A 22 -4.455 -12.107 1.594 1.00 0.00 N ATOM 172 CA GLN A 22 -3.404 -12.212 0.553 1.00 0.00 C ATOM 173 C GLN A 22 -3.956 -11.752 -0.799 1.00 0.00 C ATOM 174 O GLN A 22 -3.216 -11.533 -1.737 1.00 0.00 O ATOM 175 CB GLN A 22 -2.912 -13.656 0.471 1.00 0.00 C ATOM 176 CG GLN A 22 -1.512 -13.671 -0.128 1.00 0.00 C ATOM 177 CD GLN A 22 -1.467 -14.647 -1.305 1.00 0.00 C ATOM 178 OE1 GLN A 22 -0.512 -15.381 -1.465 1.00 0.00 O ATOM 179 NE2 GLN A 22 -2.469 -14.687 -2.141 1.00 0.00 N ATOM 0 H GLN A 22 -4.698 -12.985 2.053 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.565 -11.568 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.901 -14.107 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.590 -14.250 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.238 -12.670 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.785 -13.965 0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.270 -14.071 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.450 -15.335 -2.929 1.00 0.00 H new ATOM 188 N ARG A 23 -5.248 -11.595 -0.907 1.00 0.00 N ATOM 189 CA ARG A 23 -5.832 -11.140 -2.200 1.00 0.00 C ATOM 190 C ARG A 23 -5.779 -9.613 -2.266 1.00 0.00 C ATOM 191 O ARG A 23 -5.293 -9.039 -3.220 1.00 0.00 O ATOM 192 CB ARG A 23 -7.285 -11.606 -2.299 1.00 0.00 C ATOM 193 CG ARG A 23 -7.928 -11.004 -3.551 1.00 0.00 C ATOM 194 CD ARG A 23 -9.448 -11.165 -3.473 1.00 0.00 C ATOM 195 NE ARG A 23 -9.877 -12.278 -4.368 1.00 0.00 N ATOM 196 CZ ARG A 23 -10.386 -12.014 -5.540 1.00 0.00 C ATOM 197 NH1 ARG A 23 -11.662 -11.766 -5.657 1.00 0.00 N ATOM 198 NH2 ARG A 23 -9.622 -12.002 -6.597 1.00 0.00 N ATOM 0 H ARG A 23 -5.921 -11.761 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.262 -11.563 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.327 -12.694 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.838 -11.301 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.667 -9.949 -3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.545 -11.499 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.750 -11.373 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.938 -10.237 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.772 -13.246 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.262 -11.778 -4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.059 -11.560 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.625 -12.199 -6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.021 -11.795 -7.513 1.00 0.00 H new ATOM 212 N ALA A 24 -6.273 -8.948 -1.256 1.00 0.00 N ATOM 213 CA ALA A 24 -6.246 -7.462 -1.256 1.00 0.00 C ATOM 214 C ALA A 24 -4.812 -6.976 -1.501 1.00 0.00 C ATOM 215 O ALA A 24 -4.587 -5.842 -1.873 1.00 0.00 O ATOM 216 CB ALA A 24 -6.731 -6.944 0.100 1.00 0.00 C ATOM 0 H ALA A 24 -6.694 -9.374 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.898 -7.088 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.712 -5.854 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.749 -7.289 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.078 -7.319 0.888 1.00 0.00 H new ATOM 222 N LEU A 25 -3.840 -7.825 -1.291 1.00 0.00 N ATOM 223 CA LEU A 25 -2.434 -7.420 -1.503 1.00 0.00 C ATOM 224 C LEU A 25 -2.191 -7.210 -3.006 1.00 0.00 C ATOM 225 O LEU A 25 -1.546 -6.263 -3.412 1.00 0.00 O ATOM 226 CB LEU A 25 -1.532 -8.529 -0.928 1.00 0.00 C ATOM 227 CG LEU A 25 -0.181 -8.567 -1.635 1.00 0.00 C ATOM 228 CD1 LEU A 25 -0.363 -9.282 -2.971 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.342 -7.146 -1.862 1.00 0.00 C ATOM 0 H LEU A 25 -3.969 -8.788 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.207 -6.481 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.382 -8.362 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.027 -9.494 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 25 0.546 -9.098 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.592 -9.321 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.723 -10.296 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.088 -8.740 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.307 -7.190 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.366 -6.592 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.458 -6.643 -0.902 1.00 0.00 H new ATOM 241 N GLN A 26 -2.705 -8.081 -3.832 1.00 0.00 N ATOM 242 CA GLN A 26 -2.508 -7.932 -5.307 1.00 0.00 C ATOM 243 C GLN A 26 -3.168 -6.628 -5.780 1.00 0.00 C ATOM 244 O GLN A 26 -2.926 -6.162 -6.874 1.00 0.00 O ATOM 245 CB GLN A 26 -3.164 -9.131 -6.025 1.00 0.00 C ATOM 246 CG GLN A 26 -2.176 -10.304 -6.172 1.00 0.00 C ATOM 247 CD GLN A 26 -1.672 -10.386 -7.624 1.00 0.00 C ATOM 248 OE1 GLN A 26 -1.714 -9.329 -8.399 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -1.229 -11.431 -8.059 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.255 -8.893 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.443 -7.902 -5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.040 -9.458 -5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.513 -8.821 -7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.334 -10.169 -5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.663 -11.238 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.193 -12.257 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.893 -11.481 -9.021 1.00 0.00 H new ATOM 258 N PHE A 27 -3.995 -6.040 -4.961 1.00 0.00 N ATOM 259 CA PHE A 27 -4.669 -4.764 -5.360 1.00 0.00 C ATOM 260 C PHE A 27 -3.689 -3.612 -5.221 1.00 0.00 C ATOM 261 O PHE A 27 -3.548 -2.783 -6.098 1.00 0.00 O ATOM 262 CB PHE A 27 -5.858 -4.489 -4.452 1.00 0.00 C ATOM 263 CG PHE A 27 -7.036 -4.013 -5.270 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.844 -3.058 -6.279 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.322 -4.503 -5.007 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.936 -2.599 -7.023 1.00 0.00 C ATOM 267 CE2 PHE A 27 -9.414 -4.036 -5.748 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.217 -3.084 -6.755 1.00 0.00 C ATOM 0 H PHE A 27 -4.236 -6.385 -4.032 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.008 -4.858 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.126 -5.394 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.592 -3.736 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.854 -2.677 -6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.471 -5.241 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.788 -1.869 -7.805 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.406 -4.409 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.059 -2.723 -7.327 1.00 0.00 H new ATOM 278 N ALA A 28 -3.023 -3.553 -4.114 1.00 0.00 N ATOM 279 CA ALA A 28 -2.055 -2.452 -3.882 1.00 0.00 C ATOM 280 C ALA A 28 -0.928 -2.525 -4.915 1.00 0.00 C ATOM 281 O ALA A 28 -0.436 -1.517 -5.382 1.00 0.00 O ATOM 282 CB ALA A 28 -1.486 -2.585 -2.476 1.00 0.00 C ATOM 0 H ALA A 28 -3.106 -4.224 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.557 -1.490 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.773 -1.781 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.295 -2.523 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.982 -3.546 -2.377 1.00 0.00 H new ATOM 288 N MET A 29 -0.514 -3.706 -5.275 1.00 0.00 N ATOM 289 CA MET A 29 0.578 -3.834 -6.279 1.00 0.00 C ATOM 290 C MET A 29 0.116 -3.257 -7.621 1.00 0.00 C ATOM 291 O MET A 29 0.917 -2.853 -8.440 1.00 0.00 O ATOM 292 CB MET A 29 0.933 -5.311 -6.457 1.00 0.00 C ATOM 293 CG MET A 29 2.357 -5.558 -5.956 1.00 0.00 C ATOM 294 SD MET A 29 2.373 -5.534 -4.147 1.00 0.00 S ATOM 295 CE MET A 29 3.350 -4.023 -3.952 1.00 0.00 C ATOM 0 H MET A 29 -0.883 -4.587 -4.919 1.00 0.00 H new ATOM 0 HA MET A 29 1.454 -3.285 -5.932 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.229 -5.934 -5.905 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.852 -5.591 -7.507 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.721 -6.519 -6.321 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.029 -4.794 -6.346 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.800 -4.006 -2.959 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.136 -3.998 -4.707 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.704 -3.154 -4.072 1.00 0.00 H new ATOM 305 N ALA A 30 -1.167 -3.222 -7.859 1.00 0.00 N ATOM 306 CA ALA A 30 -1.667 -2.677 -9.150 1.00 0.00 C ATOM 307 C ALA A 30 -1.795 -1.154 -9.055 1.00 0.00 C ATOM 308 O ALA A 30 -1.237 -0.428 -9.852 1.00 0.00 O ATOM 309 CB ALA A 30 -3.035 -3.286 -9.464 1.00 0.00 C ATOM 0 H ALA A 30 -1.888 -3.547 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.964 -2.929 -9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.402 -2.887 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.943 -4.370 -9.538 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.736 -3.036 -8.668 1.00 0.00 H new ATOM 315 N GLU A 31 -2.520 -0.654 -8.093 1.00 0.00 N ATOM 316 CA GLU A 31 -2.652 0.820 -7.979 1.00 0.00 C ATOM 317 C GLU A 31 -1.251 1.423 -8.027 1.00 0.00 C ATOM 318 O GLU A 31 -1.032 2.488 -8.571 1.00 0.00 O ATOM 319 CB GLU A 31 -3.327 1.206 -6.657 1.00 0.00 C ATOM 320 CG GLU A 31 -3.268 0.058 -5.650 1.00 0.00 C ATOM 321 CD GLU A 31 -3.473 0.617 -4.241 1.00 0.00 C ATOM 322 OE1 GLU A 31 -3.034 1.729 -3.998 1.00 0.00 O ATOM 323 OE2 GLU A 31 -4.063 -0.076 -3.429 1.00 0.00 O ATOM 0 H GLU A 31 -3.020 -1.197 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.267 1.196 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.837 2.085 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.366 1.478 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.036 -0.681 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.307 -0.451 -5.716 1.00 0.00 H new ATOM 330 N TYR A 32 -0.300 0.734 -7.464 1.00 0.00 N ATOM 331 CA TYR A 32 1.108 1.248 -7.475 1.00 0.00 C ATOM 332 C TYR A 32 1.677 1.154 -8.894 1.00 0.00 C ATOM 333 O TYR A 32 2.418 2.008 -9.336 1.00 0.00 O ATOM 334 CB TYR A 32 1.986 0.419 -6.530 1.00 0.00 C ATOM 335 CG TYR A 32 3.277 1.166 -6.261 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.243 2.518 -5.890 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.510 0.508 -6.379 1.00 0.00 C ATOM 338 CE1 TYR A 32 4.436 3.207 -5.639 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.700 1.199 -6.126 1.00 0.00 C ATOM 340 CZ TYR A 32 5.663 2.547 -5.756 1.00 0.00 C ATOM 341 OH TYR A 32 6.839 3.226 -5.506 1.00 0.00 O ATOM 0 H TYR A 32 -0.431 -0.163 -6.996 1.00 0.00 H new ATOM 0 HA TYR A 32 1.103 2.286 -7.142 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.458 0.233 -5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.201 -0.553 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.296 3.028 -5.798 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.541 -0.533 -6.665 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.408 4.249 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.649 0.691 -6.217 1.00 0.00 H new ATOM 0 HH TYR A 32 6.771 3.692 -4.647 1.00 0.00 H new ATOM 351 N ASN A 33 1.337 0.114 -9.605 1.00 0.00 N ATOM 352 CA ASN A 33 1.871 -0.041 -11.005 1.00 0.00 C ATOM 353 C ASN A 33 1.467 1.176 -11.838 1.00 0.00 C ATOM 354 O ASN A 33 2.204 1.626 -12.692 1.00 0.00 O ATOM 355 CB ASN A 33 1.339 -1.328 -11.696 1.00 0.00 C ATOM 356 CG ASN A 33 -0.144 -1.144 -12.129 1.00 0.00 C ATOM 357 OD1 ASN A 33 -1.003 -1.852 -11.649 1.00 0.00 O ATOM 358 ND2 ASN A 33 -0.499 -0.244 -13.032 1.00 0.00 N ATOM 0 H ASN A 33 0.719 -0.633 -9.289 1.00 0.00 H new ATOM 0 HA ASN A 33 2.956 -0.121 -10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.952 -1.559 -12.567 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.422 -2.174 -11.014 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.477 -0.158 -13.309 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.205 0.364 -13.451 1.00 0.00 H new ATOM 365 N ARG A 34 0.294 1.705 -11.609 1.00 0.00 N ATOM 366 CA ARG A 34 -0.158 2.884 -12.409 1.00 0.00 C ATOM 367 C ARG A 34 0.266 4.178 -11.715 1.00 0.00 C ATOM 368 O ARG A 34 0.214 5.246 -12.294 1.00 0.00 O ATOM 369 CB ARG A 34 -1.682 2.847 -12.582 1.00 0.00 C ATOM 370 CG ARG A 34 -2.076 3.663 -13.815 1.00 0.00 C ATOM 371 CD ARG A 34 -3.595 3.848 -13.839 1.00 0.00 C ATOM 372 NE ARG A 34 -4.239 2.601 -14.338 1.00 0.00 N ATOM 373 CZ ARG A 34 -5.498 2.369 -14.080 1.00 0.00 C ATOM 374 NH1 ARG A 34 -5.880 2.149 -12.852 1.00 0.00 N ATOM 375 NH2 ARG A 34 -6.373 2.358 -15.048 1.00 0.00 N ATOM 0 H ARG A 34 -0.368 1.375 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 34 0.307 2.846 -13.394 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.021 1.817 -12.691 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.169 3.251 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.581 4.634 -13.795 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.746 3.155 -14.721 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.959 4.083 -12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.860 4.689 -14.480 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.697 1.929 -14.881 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.196 2.158 -12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.863 1.968 -12.648 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.074 2.531 -16.008 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.356 2.177 -14.845 1.00 0.00 H new ATOM 389 N ALA A 35 0.678 4.100 -10.481 1.00 0.00 N ATOM 390 CA ALA A 35 1.096 5.338 -9.763 1.00 0.00 C ATOM 391 C ALA A 35 2.556 5.674 -10.099 1.00 0.00 C ATOM 392 O ALA A 35 2.950 6.823 -10.086 1.00 0.00 O ATOM 393 CB ALA A 35 0.957 5.132 -8.255 1.00 0.00 C ATOM 0 H ALA A 35 0.744 3.238 -9.940 1.00 0.00 H new ATOM 0 HA ALA A 35 0.456 6.162 -10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.264 6.039 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.082 4.908 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.590 4.302 -7.941 1.00 0.00 H new ATOM 399 N SER A 36 3.369 4.689 -10.397 1.00 0.00 N ATOM 400 CA SER A 36 4.791 4.979 -10.722 1.00 0.00 C ATOM 401 C SER A 36 4.939 5.224 -12.222 1.00 0.00 C ATOM 402 O SER A 36 6.014 5.501 -12.709 1.00 0.00 O ATOM 403 CB SER A 36 5.674 3.809 -10.265 1.00 0.00 C ATOM 404 OG SER A 36 4.933 2.601 -10.339 1.00 0.00 O ATOM 0 H SER A 36 3.107 3.704 -10.428 1.00 0.00 H new ATOM 0 HA SER A 36 5.112 5.878 -10.196 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.562 3.743 -10.893 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.018 3.976 -9.244 1.00 0.00 H new ATOM 0 HG SER A 36 5.141 2.042 -9.562 1.00 0.00 H new ATOM 410 N ASN A 37 3.859 5.135 -12.950 1.00 0.00 N ATOM 411 CA ASN A 37 3.909 5.368 -14.429 1.00 0.00 C ATOM 412 C ASN A 37 5.197 4.779 -15.019 1.00 0.00 C ATOM 413 O ASN A 37 5.239 3.633 -15.417 1.00 0.00 O ATOM 414 CB ASN A 37 3.861 6.873 -14.703 1.00 0.00 C ATOM 415 CG ASN A 37 4.145 7.134 -16.191 1.00 0.00 C ATOM 416 OD1 ASN A 37 4.312 6.207 -16.956 1.00 0.00 O ATOM 417 ND2 ASN A 37 4.201 8.364 -16.641 1.00 0.00 N ATOM 0 H ASN A 37 2.934 4.909 -12.583 1.00 0.00 H new ATOM 0 HA ASN A 37 3.055 4.878 -14.896 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.883 7.271 -14.434 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.596 7.389 -14.086 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.384 8.538 -17.629 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.061 9.147 -16.003 1.00 0.00 H new ATOM 424 N ASP A 38 6.240 5.563 -15.084 1.00 0.00 N ATOM 425 CA ASP A 38 7.524 5.083 -15.643 1.00 0.00 C ATOM 426 C ASP A 38 7.970 3.798 -14.950 1.00 0.00 C ATOM 427 O ASP A 38 7.198 3.107 -14.318 1.00 0.00 O ATOM 428 CB ASP A 38 8.564 6.179 -15.424 1.00 0.00 C ATOM 429 CG ASP A 38 8.799 6.385 -13.925 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.296 5.589 -13.149 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.480 7.337 -13.580 1.00 0.00 O ATOM 0 H ASP A 38 6.250 6.532 -14.766 1.00 0.00 H new ATOM 0 HA ASP A 38 7.409 4.865 -16.705 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.499 5.907 -15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.225 7.110 -15.879 1.00 0.00 H new ATOM 436 N LYS A 39 9.225 3.487 -15.064 1.00 0.00 N ATOM 437 CA LYS A 39 9.760 2.249 -14.409 1.00 0.00 C ATOM 438 C LYS A 39 10.945 2.653 -13.535 1.00 0.00 C ATOM 439 O LYS A 39 11.927 1.944 -13.444 1.00 0.00 O ATOM 440 CB LYS A 39 10.238 1.235 -15.471 1.00 0.00 C ATOM 441 CG LYS A 39 10.621 -0.078 -14.786 1.00 0.00 C ATOM 442 CD LYS A 39 9.723 -1.204 -15.303 1.00 0.00 C ATOM 443 CE LYS A 39 9.358 -2.136 -14.146 1.00 0.00 C ATOM 444 NZ LYS A 39 8.259 -3.049 -14.573 1.00 0.00 N ATOM 0 H LYS A 39 9.913 4.033 -15.583 1.00 0.00 H new ATOM 0 HA LYS A 39 8.975 1.782 -13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.449 1.059 -16.203 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.093 1.637 -16.014 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.667 -0.312 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.515 0.019 -13.705 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.819 -0.788 -15.748 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.236 -1.762 -16.086 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.230 -2.716 -13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.045 -1.553 -13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.010 -3.683 -13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.426 -2.487 -14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.574 -3.614 -15.388 1.00 0.00 H new ATOM 458 N TYR A 40 10.881 3.811 -12.918 1.00 0.00 N ATOM 459 CA TYR A 40 12.020 4.276 -12.097 1.00 0.00 C ATOM 460 C TYR A 40 11.615 5.588 -11.410 1.00 0.00 C ATOM 461 O TYR A 40 10.729 6.268 -11.880 1.00 0.00 O ATOM 462 CB TYR A 40 13.189 4.581 -13.056 1.00 0.00 C ATOM 463 CG TYR A 40 14.069 3.339 -13.372 1.00 0.00 C ATOM 464 CD1 TYR A 40 14.932 2.795 -12.386 1.00 0.00 C ATOM 465 CD2 TYR A 40 14.057 2.735 -14.655 1.00 0.00 C ATOM 466 CE1 TYR A 40 15.740 1.691 -12.676 1.00 0.00 C ATOM 467 CE2 TYR A 40 14.873 1.630 -14.925 1.00 0.00 C ATOM 468 CZ TYR A 40 15.711 1.110 -13.940 1.00 0.00 C ATOM 469 OH TYR A 40 16.512 0.023 -14.217 1.00 0.00 O ATOM 0 H TYR A 40 10.084 4.447 -12.954 1.00 0.00 H new ATOM 0 HA TYR A 40 12.300 3.527 -11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 40 12.790 4.981 -13.988 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.815 5.359 -12.618 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.965 3.238 -11.402 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.415 3.130 -15.428 1.00 0.00 H new ATOM 0 HE1 TYR A 40 16.390 1.287 -11.914 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.853 1.177 -15.905 1.00 0.00 H new ATOM 0 HH TYR A 40 16.369 -0.261 -15.144 1.00 0.00 H new ATOM 479 N SER A 41 12.275 5.948 -10.324 1.00 0.00 N ATOM 480 CA SER A 41 11.975 7.229 -9.594 1.00 0.00 C ATOM 481 C SER A 41 11.064 6.966 -8.422 1.00 0.00 C ATOM 482 O SER A 41 11.064 7.680 -7.449 1.00 0.00 O ATOM 483 CB SER A 41 11.303 8.269 -10.512 1.00 0.00 C ATOM 484 OG SER A 41 9.927 7.952 -10.663 1.00 0.00 O ATOM 0 H SER A 41 13.023 5.395 -9.907 1.00 0.00 H new ATOM 0 HA SER A 41 12.929 7.628 -9.250 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.412 9.267 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.793 8.280 -11.486 1.00 0.00 H new ATOM 0 HG SER A 41 9.814 7.337 -11.417 1.00 0.00 H new ATOM 490 N SER A 42 10.286 5.963 -8.532 1.00 0.00 N ATOM 491 CA SER A 42 9.320 5.623 -7.436 1.00 0.00 C ATOM 492 C SER A 42 9.638 4.235 -6.831 1.00 0.00 C ATOM 493 O SER A 42 10.066 3.340 -7.532 1.00 0.00 O ATOM 494 CB SER A 42 7.894 5.601 -8.002 1.00 0.00 C ATOM 495 OG SER A 42 7.694 6.746 -8.819 1.00 0.00 O ATOM 0 H SER A 42 10.259 5.339 -9.338 1.00 0.00 H new ATOM 0 HA SER A 42 9.408 6.378 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.736 4.693 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.168 5.589 -7.189 1.00 0.00 H new ATOM 0 HG SER A 42 6.745 6.819 -9.053 1.00 0.00 H new ATOM 501 N ARG A 43 9.407 4.032 -5.544 1.00 0.00 N ATOM 502 CA ARG A 43 9.676 2.688 -4.940 1.00 0.00 C ATOM 503 C ARG A 43 9.129 2.663 -3.503 1.00 0.00 C ATOM 504 O ARG A 43 9.253 3.624 -2.772 1.00 0.00 O ATOM 505 CB ARG A 43 11.194 2.402 -4.943 1.00 0.00 C ATOM 506 CG ARG A 43 11.911 3.232 -3.866 1.00 0.00 C ATOM 507 CD ARG A 43 13.168 2.488 -3.402 1.00 0.00 C ATOM 508 NE ARG A 43 12.783 1.388 -2.476 1.00 0.00 N ATOM 509 CZ ARG A 43 13.704 0.687 -1.875 1.00 0.00 C ATOM 510 NH1 ARG A 43 14.773 0.317 -2.526 1.00 0.00 N ATOM 511 NH2 ARG A 43 13.558 0.354 -0.621 1.00 0.00 N ATOM 0 H ARG A 43 9.048 4.735 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 43 9.179 1.916 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.368 1.341 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.610 2.634 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.180 4.210 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.245 3.405 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.702 2.083 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.847 3.178 -2.901 1.00 0.00 H new ATOM 0 HE ARG A 43 11.798 1.182 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.889 0.576 -3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.493 -0.231 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.723 0.642 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.279 -0.194 -0.152 1.00 0.00 H new ATOM 525 N VAL A 44 8.519 1.584 -3.091 1.00 0.00 N ATOM 526 CA VAL A 44 7.978 1.528 -1.703 1.00 0.00 C ATOM 527 C VAL A 44 9.124 1.219 -0.728 1.00 0.00 C ATOM 528 O VAL A 44 10.179 0.768 -1.124 1.00 0.00 O ATOM 529 CB VAL A 44 6.890 0.438 -1.617 1.00 0.00 C ATOM 530 CG1 VAL A 44 7.527 -0.929 -1.342 1.00 0.00 C ATOM 531 CG2 VAL A 44 5.922 0.785 -0.485 1.00 0.00 C ATOM 0 H VAL A 44 8.373 0.744 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 44 7.533 2.487 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 44 6.354 0.392 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.747 -1.689 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.217 -1.178 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.070 -0.894 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.150 0.018 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.467 0.834 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.458 1.751 -0.686 1.00 0.00 H new ATOM 541 N VAL A 45 8.924 1.455 0.540 1.00 0.00 N ATOM 542 CA VAL A 45 10.006 1.170 1.527 1.00 0.00 C ATOM 543 C VAL A 45 9.508 0.146 2.550 1.00 0.00 C ATOM 544 O VAL A 45 9.862 -1.013 2.500 1.00 0.00 O ATOM 545 CB VAL A 45 10.400 2.463 2.246 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.750 2.271 2.939 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.511 3.596 1.231 1.00 0.00 C ATOM 0 H VAL A 45 8.062 1.831 0.935 1.00 0.00 H new ATOM 0 HA VAL A 45 10.875 0.769 1.005 1.00 0.00 H new ATOM 0 HB VAL A 45 9.641 2.710 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.030 3.192 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.675 1.461 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.508 2.023 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.791 4.517 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.270 3.347 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.551 3.735 0.734 1.00 0.00 H new ATOM 557 N ARG A 46 8.680 0.566 3.472 1.00 0.00 N ATOM 558 CA ARG A 46 8.152 -0.376 4.500 1.00 0.00 C ATOM 559 C ARG A 46 6.728 0.039 4.878 1.00 0.00 C ATOM 560 O ARG A 46 6.211 1.029 4.399 1.00 0.00 O ATOM 561 CB ARG A 46 9.033 -0.320 5.754 1.00 0.00 C ATOM 562 CG ARG A 46 10.347 -1.067 5.509 1.00 0.00 C ATOM 563 CD ARG A 46 11.521 -0.155 5.879 1.00 0.00 C ATOM 564 NE ARG A 46 12.772 -0.961 5.962 1.00 0.00 N ATOM 565 CZ ARG A 46 13.826 -0.470 6.559 1.00 0.00 C ATOM 566 NH1 ARG A 46 14.543 0.448 5.971 1.00 0.00 N ATOM 567 NH2 ARG A 46 14.162 -0.899 7.745 1.00 0.00 N ATOM 0 H ARG A 46 8.346 1.526 3.556 1.00 0.00 H new ATOM 0 HA ARG A 46 8.154 -1.388 4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.239 0.718 6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.506 -0.764 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.377 -1.979 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.419 -1.367 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.632 0.632 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.328 0.335 6.833 1.00 0.00 H new ATOM 0 HE ARG A 46 12.806 -1.895 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.281 0.784 5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.365 0.830 6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.602 -1.617 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.984 -0.516 8.212 1.00 0.00 H new ATOM 581 N VAL A 47 6.102 -0.701 5.748 1.00 0.00 N ATOM 582 CA VAL A 47 4.720 -0.342 6.178 1.00 0.00 C ATOM 583 C VAL A 47 4.801 0.354 7.542 1.00 0.00 C ATOM 584 O VAL A 47 5.687 0.086 8.330 1.00 0.00 O ATOM 585 CB VAL A 47 3.858 -1.621 6.255 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.761 -2.125 7.699 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.454 -1.316 5.733 1.00 0.00 C ATOM 0 H VAL A 47 6.487 -1.540 6.181 1.00 0.00 H new ATOM 0 HA VAL A 47 4.256 0.335 5.461 1.00 0.00 H new ATOM 0 HB VAL A 47 4.326 -2.394 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.149 -3.027 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.759 -2.351 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.305 -1.356 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.843 -2.217 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.001 -0.534 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.516 -0.980 4.698 1.00 0.00 H new ATOM 597 N ILE A 48 3.898 1.251 7.826 1.00 0.00 N ATOM 598 CA ILE A 48 3.950 1.960 9.141 1.00 0.00 C ATOM 599 C ILE A 48 2.950 1.339 10.121 1.00 0.00 C ATOM 600 O ILE A 48 3.162 1.342 11.316 1.00 0.00 O ATOM 601 CB ILE A 48 3.605 3.436 8.936 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.620 4.069 7.984 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.649 4.160 10.283 1.00 0.00 C ATOM 604 CD1 ILE A 48 4.261 5.538 7.757 1.00 0.00 C ATOM 0 H ILE A 48 3.131 1.524 7.212 1.00 0.00 H new ATOM 0 HA ILE A 48 4.955 1.866 9.552 1.00 0.00 H new ATOM 0 HB ILE A 48 2.605 3.521 8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.624 3.989 8.401 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.626 3.534 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.403 5.212 10.139 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.926 3.708 10.963 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.649 4.076 10.709 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.985 5.989 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.264 5.606 7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.278 6.068 8.709 1.00 0.00 H new ATOM 616 N SER A 49 1.868 0.801 9.622 1.00 0.00 N ATOM 617 CA SER A 49 0.846 0.175 10.523 1.00 0.00 C ATOM 618 C SER A 49 -0.377 -0.230 9.699 1.00 0.00 C ATOM 619 O SER A 49 -0.442 0.011 8.511 1.00 0.00 O ATOM 620 CB SER A 49 0.413 1.163 11.616 1.00 0.00 C ATOM 621 OG SER A 49 -0.119 0.441 12.717 1.00 0.00 O ATOM 0 H SER A 49 1.644 0.766 8.627 1.00 0.00 H new ATOM 0 HA SER A 49 1.287 -0.703 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.264 1.764 11.937 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.334 1.853 11.224 1.00 0.00 H new ATOM 0 HG SER A 49 -0.395 1.069 13.417 1.00 0.00 H new ATOM 627 N ALA A 50 -1.351 -0.842 10.319 1.00 0.00 N ATOM 628 CA ALA A 50 -2.566 -1.256 9.563 1.00 0.00 C ATOM 629 C ALA A 50 -3.737 -1.454 10.528 1.00 0.00 C ATOM 630 O ALA A 50 -3.640 -2.181 11.497 1.00 0.00 O ATOM 631 CB ALA A 50 -2.285 -2.568 8.828 1.00 0.00 C ATOM 0 H ALA A 50 -1.357 -1.072 11.313 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.822 -0.479 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.173 -2.872 8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.456 -2.426 8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.025 -3.342 9.551 1.00 0.00 H new ATOM 637 N LYS A 51 -4.851 -0.822 10.263 1.00 0.00 N ATOM 638 CA LYS A 51 -6.036 -0.984 11.160 1.00 0.00 C ATOM 639 C LYS A 51 -7.251 -1.307 10.292 1.00 0.00 C ATOM 640 O LYS A 51 -7.377 -0.805 9.201 1.00 0.00 O ATOM 641 CB LYS A 51 -6.287 0.318 11.926 1.00 0.00 C ATOM 642 CG LYS A 51 -4.953 0.966 12.298 1.00 0.00 C ATOM 643 CD LYS A 51 -5.185 2.433 12.670 1.00 0.00 C ATOM 644 CE LYS A 51 -5.913 2.511 14.013 1.00 0.00 C ATOM 645 NZ LYS A 51 -5.846 3.907 14.533 1.00 0.00 N ATOM 0 H LYS A 51 -4.992 -0.202 9.466 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.857 -1.786 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.876 1.002 11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.867 0.115 12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.499 0.435 13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.257 0.897 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.232 2.959 12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.773 2.927 11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.952 2.205 13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.458 1.823 14.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.341 3.961 15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.851 4.182 14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.299 4.552 13.855 1.00 0.00 H new ATOM 659 N ARG A 52 -8.143 -2.143 10.743 1.00 0.00 N ATOM 660 CA ARG A 52 -9.321 -2.466 9.886 1.00 0.00 C ATOM 661 C ARG A 52 -10.598 -1.877 10.478 1.00 0.00 C ATOM 662 O ARG A 52 -10.839 -1.927 11.667 1.00 0.00 O ATOM 663 CB ARG A 52 -9.482 -3.992 9.755 1.00 0.00 C ATOM 664 CG ARG A 52 -9.468 -4.628 11.146 1.00 0.00 C ATOM 665 CD ARG A 52 -10.274 -5.929 11.114 1.00 0.00 C ATOM 666 NE ARG A 52 -10.073 -6.673 12.389 1.00 0.00 N ATOM 667 CZ ARG A 52 -10.301 -7.957 12.440 1.00 0.00 C ATOM 668 NH1 ARG A 52 -10.888 -8.557 11.442 1.00 0.00 N ATOM 669 NH2 ARG A 52 -9.944 -8.643 13.491 1.00 0.00 N ATOM 0 H ARG A 52 -8.112 -2.610 11.649 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.150 -2.030 8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.416 -4.227 9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.675 -4.403 9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.443 -4.829 11.456 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.893 -3.941 11.877 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.332 -5.710 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.960 -6.543 10.270 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.757 -6.178 13.223 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.170 -8.023 10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.065 -9.561 11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.486 -8.176 14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.123 -9.646 13.530 1.00 0.00 H new ATOM 683 N GLN A 53 -11.423 -1.334 9.630 1.00 0.00 N ATOM 684 CA GLN A 53 -12.715 -0.744 10.090 1.00 0.00 C ATOM 685 C GLN A 53 -13.859 -1.576 9.513 1.00 0.00 C ATOM 686 O GLN A 53 -13.637 -2.514 8.775 1.00 0.00 O ATOM 687 CB GLN A 53 -12.831 0.700 9.594 1.00 0.00 C ATOM 688 CG GLN A 53 -13.782 1.478 10.507 1.00 0.00 C ATOM 689 CD GLN A 53 -13.389 2.956 10.513 1.00 0.00 C ATOM 690 OE1 GLN A 53 -12.515 3.363 11.254 1.00 0.00 O ATOM 691 NE2 GLN A 53 -14.003 3.785 9.711 1.00 0.00 N ATOM 0 H GLN A 53 -11.258 -1.272 8.625 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.759 -0.748 11.179 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.849 1.173 9.586 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.200 0.715 8.569 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.809 1.365 10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.741 1.076 11.519 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.736 3.444 9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.749 4.773 9.707 1.00 0.00 H new ATOM 700 N LEU A 54 -15.077 -1.256 9.839 1.00 0.00 N ATOM 701 CA LEU A 54 -16.210 -2.057 9.294 1.00 0.00 C ATOM 702 C LEU A 54 -17.269 -1.128 8.660 1.00 0.00 C ATOM 703 O LEU A 54 -17.595 -0.096 9.210 1.00 0.00 O ATOM 704 CB LEU A 54 -16.855 -2.859 10.427 1.00 0.00 C ATOM 705 CG LEU A 54 -17.294 -1.912 11.544 1.00 0.00 C ATOM 706 CD1 LEU A 54 -18.575 -2.445 12.190 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.190 -1.822 12.600 1.00 0.00 C ATOM 0 H LEU A 54 -15.338 -0.484 10.452 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.828 -2.733 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.714 -3.414 10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.148 -3.592 10.815 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.481 -0.922 11.128 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -18.889 -1.770 12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.362 -2.510 11.438 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -18.388 -3.435 12.606 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.503 -1.147 13.397 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.003 -2.812 13.016 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.277 -1.443 12.141 1.00 0.00 H new ATOM 719 N VAL A 55 -17.821 -1.491 7.517 1.00 0.00 N ATOM 720 CA VAL A 55 -18.856 -0.653 6.859 1.00 0.00 C ATOM 721 C VAL A 55 -19.624 -1.621 5.967 1.00 0.00 C ATOM 722 O VAL A 55 -19.501 -1.567 4.763 1.00 0.00 O ATOM 723 CB VAL A 55 -18.185 0.407 5.982 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.929 1.678 6.796 1.00 0.00 C ATOM 725 CG2 VAL A 55 -16.859 -0.141 5.455 1.00 0.00 C ATOM 0 H VAL A 55 -17.586 -2.347 7.015 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.493 -0.142 7.581 1.00 0.00 H new ATOM 0 HB VAL A 55 -18.841 0.650 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.451 2.426 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.876 2.069 7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.277 1.446 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.377 0.611 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.208 -0.387 6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.045 -1.039 4.865 1.00 0.00 H new ATOM 735 N SER A 56 -20.333 -2.568 6.561 1.00 0.00 N ATOM 736 CA SER A 56 -21.026 -3.622 5.769 1.00 0.00 C ATOM 737 C SER A 56 -20.060 -4.802 5.736 1.00 0.00 C ATOM 738 O SER A 56 -20.374 -5.902 6.146 1.00 0.00 O ATOM 739 CB SER A 56 -21.308 -3.133 4.359 1.00 0.00 C ATOM 740 OG SER A 56 -22.410 -3.841 3.812 1.00 0.00 O ATOM 0 H SER A 56 -20.455 -2.645 7.571 1.00 0.00 H new ATOM 0 HA SER A 56 -21.986 -3.891 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.522 -2.064 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.427 -3.275 3.733 1.00 0.00 H new ATOM 0 HG SER A 56 -22.129 -4.749 3.572 1.00 0.00 H new ATOM 746 N GLY A 57 -18.857 -4.547 5.290 1.00 0.00 N ATOM 747 CA GLY A 57 -17.813 -5.587 5.257 1.00 0.00 C ATOM 748 C GLY A 57 -16.607 -5.060 6.045 1.00 0.00 C ATOM 749 O GLY A 57 -16.768 -4.270 6.960 1.00 0.00 O ATOM 0 H GLY A 57 -18.558 -3.636 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.182 -6.514 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.530 -5.812 4.229 1.00 0.00 H new ATOM 753 N ILE A 58 -15.400 -5.456 5.709 1.00 0.00 N ATOM 754 CA ILE A 58 -14.234 -4.927 6.469 1.00 0.00 C ATOM 755 C ILE A 58 -13.443 -3.960 5.584 1.00 0.00 C ATOM 756 O ILE A 58 -13.567 -3.954 4.374 1.00 0.00 O ATOM 757 CB ILE A 58 -13.316 -6.072 6.925 1.00 0.00 C ATOM 758 CG1 ILE A 58 -14.017 -7.423 6.743 1.00 0.00 C ATOM 759 CG2 ILE A 58 -12.966 -5.881 8.404 1.00 0.00 C ATOM 760 CD1 ILE A 58 -13.209 -8.514 7.446 1.00 0.00 C ATOM 0 H ILE A 58 -15.180 -6.109 4.957 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.603 -4.404 7.352 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.409 -6.059 6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.025 -7.380 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.115 -7.654 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.315 -6.691 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.454 -4.928 8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.880 -5.888 8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.707 -9.475 7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.209 -8.562 7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.134 -8.284 8.509 1.00 0.00 H new ATOM 772 N LYS A 59 -12.627 -3.146 6.191 1.00 0.00 N ATOM 773 CA LYS A 59 -11.805 -2.166 5.419 1.00 0.00 C ATOM 774 C LYS A 59 -10.395 -2.169 6.007 1.00 0.00 C ATOM 775 O LYS A 59 -10.219 -2.395 7.185 1.00 0.00 O ATOM 776 CB LYS A 59 -12.418 -0.764 5.548 1.00 0.00 C ATOM 777 CG LYS A 59 -11.528 0.262 4.844 1.00 0.00 C ATOM 778 CD LYS A 59 -12.405 1.280 4.115 1.00 0.00 C ATOM 779 CE LYS A 59 -12.444 2.582 4.916 1.00 0.00 C ATOM 780 NZ LYS A 59 -13.850 2.883 5.310 1.00 0.00 N ATOM 0 H LYS A 59 -12.491 -3.115 7.201 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.777 -2.439 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.416 -0.753 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.528 -0.501 6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.892 0.768 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.867 -0.238 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.011 1.466 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.414 0.886 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.818 2.494 5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.039 3.400 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.876 3.769 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.436 2.984 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.221 2.106 5.894 1.00 0.00 H new ATOM 794 N TYR A 60 -9.386 -1.944 5.211 1.00 0.00 N ATOM 795 CA TYR A 60 -8.005 -1.965 5.768 1.00 0.00 C ATOM 796 C TYR A 60 -7.297 -0.640 5.486 1.00 0.00 C ATOM 797 O TYR A 60 -6.870 -0.368 4.381 1.00 0.00 O ATOM 798 CB TYR A 60 -7.219 -3.114 5.132 1.00 0.00 C ATOM 799 CG TYR A 60 -8.001 -4.398 5.281 1.00 0.00 C ATOM 800 CD1 TYR A 60 -9.161 -4.602 4.524 1.00 0.00 C ATOM 801 CD2 TYR A 60 -7.567 -5.384 6.175 1.00 0.00 C ATOM 802 CE1 TYR A 60 -9.886 -5.790 4.662 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.293 -6.572 6.313 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.454 -6.775 5.556 1.00 0.00 C ATOM 805 OH TYR A 60 -10.169 -7.947 5.690 1.00 0.00 O ATOM 0 H TYR A 60 -9.456 -1.749 4.212 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.060 -2.109 6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.038 -2.906 4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.244 -3.211 5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.496 -3.842 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.672 -5.228 6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.781 -5.947 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.958 -7.332 7.003 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.732 -8.523 6.351 1.00 0.00 H new ATOM 815 N ILE A 61 -7.156 0.177 6.490 1.00 0.00 N ATOM 816 CA ILE A 61 -6.465 1.478 6.318 1.00 0.00 C ATOM 817 C ILE A 61 -4.998 1.303 6.712 1.00 0.00 C ATOM 818 O ILE A 61 -4.673 1.086 7.869 1.00 0.00 O ATOM 819 CB ILE A 61 -7.126 2.525 7.223 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.343 1.926 8.618 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.479 2.941 6.638 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.744 3.036 9.593 1.00 0.00 C ATOM 0 H ILE A 61 -7.496 -0.006 7.434 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.532 1.810 5.282 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.478 3.399 7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.120 1.162 8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.431 1.437 8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.942 3.685 7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.331 3.366 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.128 2.068 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.898 2.611 10.585 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.953 3.784 9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.667 3.504 9.251 1.00 0.00 H new ATOM 834 N LEU A 62 -4.112 1.370 5.756 1.00 0.00 N ATOM 835 CA LEU A 62 -2.676 1.188 6.052 1.00 0.00 C ATOM 836 C LEU A 62 -1.939 2.517 5.821 1.00 0.00 C ATOM 837 O LEU A 62 -2.386 3.358 5.072 1.00 0.00 O ATOM 838 CB LEU A 62 -2.151 0.071 5.127 1.00 0.00 C ATOM 839 CG LEU A 62 -1.096 0.584 4.164 1.00 0.00 C ATOM 840 CD1 LEU A 62 0.261 0.552 4.871 1.00 0.00 C ATOM 841 CD2 LEU A 62 -1.069 -0.327 2.948 1.00 0.00 C ATOM 0 H LEU A 62 -4.331 1.545 4.775 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.510 0.900 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.731 -0.733 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.981 -0.354 4.563 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.319 1.603 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.033 0.918 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.225 1.187 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.493 -0.471 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.315 0.027 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.825 -1.343 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.047 -0.320 2.466 1.00 0.00 H new ATOM 853 N GLN A 63 -0.805 2.687 6.448 1.00 0.00 N ATOM 854 CA GLN A 63 -0.001 3.938 6.268 1.00 0.00 C ATOM 855 C GLN A 63 1.382 3.535 5.738 1.00 0.00 C ATOM 856 O GLN A 63 2.254 3.155 6.487 1.00 0.00 O ATOM 857 CB GLN A 63 0.138 4.651 7.623 1.00 0.00 C ATOM 858 CG GLN A 63 -1.256 4.903 8.205 1.00 0.00 C ATOM 859 CD GLN A 63 -1.257 4.560 9.697 1.00 0.00 C ATOM 860 OE1 GLN A 63 -1.735 3.514 10.090 1.00 0.00 O ATOM 861 NE2 GLN A 63 -0.743 5.403 10.550 1.00 0.00 N ATOM 0 H GLN A 63 -0.394 2.005 7.086 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.487 4.616 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.727 4.042 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.669 5.595 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.539 5.946 8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.995 4.297 7.681 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.342 6.281 10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.742 5.184 11.546 1.00 0.00 H new ATOM 870 N VAL A 64 1.567 3.573 4.444 1.00 0.00 N ATOM 871 CA VAL A 64 2.850 3.148 3.844 1.00 0.00 C ATOM 872 C VAL A 64 3.807 4.336 3.696 1.00 0.00 C ATOM 873 O VAL A 64 3.394 5.467 3.587 1.00 0.00 O ATOM 874 CB VAL A 64 2.522 2.601 2.451 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.302 1.685 2.529 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.209 3.764 1.507 1.00 0.00 C ATOM 0 H VAL A 64 0.866 3.887 3.773 1.00 0.00 H new ATOM 0 HA VAL A 64 3.333 2.404 4.477 1.00 0.00 H new ATOM 0 HB VAL A 64 3.379 2.039 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.073 1.299 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.513 0.854 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.448 2.248 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.976 3.375 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.354 4.322 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.074 4.424 1.443 1.00 0.00 H new ATOM 886 N GLU A 65 5.083 4.080 3.653 1.00 0.00 N ATOM 887 CA GLU A 65 6.057 5.187 3.466 1.00 0.00 C ATOM 888 C GLU A 65 6.796 4.945 2.145 1.00 0.00 C ATOM 889 O GLU A 65 7.756 4.203 2.091 1.00 0.00 O ATOM 890 CB GLU A 65 7.054 5.197 4.625 1.00 0.00 C ATOM 891 CG GLU A 65 8.121 6.263 4.369 1.00 0.00 C ATOM 892 CD GLU A 65 8.946 6.473 5.641 1.00 0.00 C ATOM 893 OE1 GLU A 65 8.351 6.570 6.701 1.00 0.00 O ATOM 894 OE2 GLU A 65 10.160 6.532 5.532 1.00 0.00 O ATOM 0 H GLU A 65 5.494 3.150 3.739 1.00 0.00 H new ATOM 0 HA GLU A 65 5.543 6.148 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.537 5.402 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.520 4.217 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.769 5.955 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.651 7.199 4.069 1.00 0.00 H new ATOM 901 N ILE A 66 6.343 5.540 1.072 1.00 0.00 N ATOM 902 CA ILE A 66 7.014 5.309 -0.240 1.00 0.00 C ATOM 903 C ILE A 66 7.979 6.456 -0.560 1.00 0.00 C ATOM 904 O ILE A 66 7.741 7.596 -0.212 1.00 0.00 O ATOM 905 CB ILE A 66 5.962 5.207 -1.350 1.00 0.00 C ATOM 906 CG1 ILE A 66 5.086 6.476 -1.359 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.103 3.957 -1.125 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.851 6.293 -0.467 1.00 0.00 C ATOM 0 H ILE A 66 5.543 6.172 1.048 1.00 0.00 H new ATOM 0 HA ILE A 66 7.578 4.378 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 66 6.456 5.124 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.669 7.328 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.773 6.700 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.354 3.883 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.738 3.071 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.605 4.027 -0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.248 7.201 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.258 5.455 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.168 6.093 0.557 1.00 0.00 H new ATOM 920 N GLY A 67 9.068 6.163 -1.228 1.00 0.00 N ATOM 921 CA GLY A 67 10.044 7.230 -1.580 1.00 0.00 C ATOM 922 C GLY A 67 10.455 7.086 -3.050 1.00 0.00 C ATOM 923 O GLY A 67 9.992 6.201 -3.754 1.00 0.00 O ATOM 0 H GLY A 67 9.320 5.226 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.602 8.212 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.922 7.160 -0.938 1.00 0.00 H new ATOM 927 N ARG A 68 11.313 7.956 -3.527 1.00 0.00 N ATOM 928 CA ARG A 68 11.740 7.875 -4.952 1.00 0.00 C ATOM 929 C ARG A 68 13.057 7.100 -5.049 1.00 0.00 C ATOM 930 O ARG A 68 13.652 6.774 -4.044 1.00 0.00 O ATOM 931 CB ARG A 68 11.937 9.290 -5.499 1.00 0.00 C ATOM 932 CG ARG A 68 10.696 10.129 -5.190 1.00 0.00 C ATOM 933 CD ARG A 68 10.513 11.192 -6.276 1.00 0.00 C ATOM 934 NE ARG A 68 9.578 10.681 -7.319 1.00 0.00 N ATOM 935 CZ ARG A 68 8.293 10.649 -7.087 1.00 0.00 C ATOM 936 NH1 ARG A 68 7.581 11.738 -7.202 1.00 0.00 N ATOM 937 NH2 ARG A 68 7.721 9.529 -6.742 1.00 0.00 N ATOM 0 H ARG A 68 11.733 8.715 -2.990 1.00 0.00 H new ATOM 0 HA ARG A 68 10.976 7.360 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.819 9.746 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.108 9.256 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.815 9.489 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.800 10.605 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.120 12.110 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.475 11.439 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 68 9.942 10.356 -8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.028 12.614 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.578 11.713 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.277 8.678 -6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.718 9.504 -6.561 1.00 0.00 H new ATOM 951 N THR A 69 13.535 6.796 -6.239 1.00 0.00 N ATOM 952 CA THR A 69 14.827 6.040 -6.306 1.00 0.00 C ATOM 953 C THR A 69 15.262 5.738 -7.759 1.00 0.00 C ATOM 954 O THR A 69 14.564 6.048 -8.710 1.00 0.00 O ATOM 955 CB THR A 69 14.641 4.715 -5.576 1.00 0.00 C ATOM 956 OG1 THR A 69 15.809 3.919 -5.703 1.00 0.00 O ATOM 957 CG2 THR A 69 13.465 3.984 -6.205 1.00 0.00 C ATOM 0 H THR A 69 13.104 7.029 -7.133 1.00 0.00 H new ATOM 0 HA THR A 69 15.601 6.656 -5.848 1.00 0.00 H new ATOM 0 HB THR A 69 14.456 4.901 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.603 4.488 -5.621 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.314 3.032 -5.697 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.566 4.592 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.671 3.803 -7.260 1.00 0.00 H new ATOM 965 N THR A 70 16.422 5.110 -7.925 1.00 0.00 N ATOM 966 CA THR A 70 16.922 4.765 -9.292 1.00 0.00 C ATOM 967 C THR A 70 16.580 3.307 -9.620 1.00 0.00 C ATOM 968 O THR A 70 17.282 2.656 -10.368 1.00 0.00 O ATOM 969 CB THR A 70 18.445 4.933 -9.324 1.00 0.00 C ATOM 970 OG1 THR A 70 19.025 4.182 -8.265 1.00 0.00 O ATOM 971 CG2 THR A 70 18.799 6.412 -9.158 1.00 0.00 C ATOM 0 H THR A 70 17.036 4.826 -7.162 1.00 0.00 H new ATOM 0 HA THR A 70 16.452 5.423 -10.023 1.00 0.00 H new ATOM 0 HB THR A 70 18.832 4.574 -10.278 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.999 4.287 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.882 6.532 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.353 6.986 -9.970 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.414 6.773 -8.204 1.00 0.00 H new ATOM 979 N CYS A 71 15.506 2.783 -9.084 1.00 0.00 N ATOM 980 CA CYS A 71 15.155 1.357 -9.411 1.00 0.00 C ATOM 981 C CYS A 71 13.700 1.290 -9.883 1.00 0.00 C ATOM 982 O CYS A 71 12.907 2.146 -9.548 1.00 0.00 O ATOM 983 CB CYS A 71 15.337 0.447 -8.182 1.00 0.00 C ATOM 984 SG CYS A 71 16.718 1.054 -7.183 1.00 0.00 S ATOM 0 H CYS A 71 14.868 3.263 -8.449 1.00 0.00 H new ATOM 0 HA CYS A 71 15.822 1.008 -10.199 1.00 0.00 H new ATOM 0 HB2 CYS A 71 14.423 0.433 -7.588 1.00 0.00 H new ATOM 0 HB3 CYS A 71 15.527 -0.578 -8.500 1.00 0.00 H new ATOM 989 N PRO A 72 13.392 0.271 -10.649 1.00 0.00 N ATOM 990 CA PRO A 72 12.022 0.055 -11.195 1.00 0.00 C ATOM 991 C PRO A 72 11.138 -0.636 -10.150 1.00 0.00 C ATOM 992 O PRO A 72 11.087 -1.847 -10.076 1.00 0.00 O ATOM 993 CB PRO A 72 12.272 -0.859 -12.386 1.00 0.00 C ATOM 994 CG PRO A 72 13.578 -1.596 -12.121 1.00 0.00 C ATOM 995 CD PRO A 72 14.359 -0.796 -11.072 1.00 0.00 C ATOM 0 HA PRO A 72 11.507 0.977 -11.465 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.450 -1.564 -12.509 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.337 -0.281 -13.308 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.381 -2.607 -11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.157 -1.690 -13.039 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.658 -1.422 -10.231 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.270 -0.368 -11.491 1.00 0.00 H new ATOM 1003 N LYS A 73 10.437 0.119 -9.344 1.00 0.00 N ATOM 1004 CA LYS A 73 9.566 -0.503 -8.320 1.00 0.00 C ATOM 1005 C LYS A 73 10.416 -1.315 -7.334 1.00 0.00 C ATOM 1006 O LYS A 73 11.471 -0.882 -6.912 1.00 0.00 O ATOM 1007 CB LYS A 73 8.542 -1.401 -9.009 1.00 0.00 C ATOM 1008 CG LYS A 73 8.240 -0.877 -10.415 1.00 0.00 C ATOM 1009 CD LYS A 73 6.928 -1.489 -10.912 1.00 0.00 C ATOM 1010 CE LYS A 73 6.095 -0.413 -11.611 1.00 0.00 C ATOM 1011 NZ LYS A 73 5.020 -1.058 -12.416 1.00 0.00 N ATOM 0 H LYS A 73 10.434 1.139 -9.356 1.00 0.00 H new ATOM 0 HA LYS A 73 9.042 0.274 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.923 -2.421 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.625 -1.436 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.165 0.210 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.054 -1.133 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.135 -2.308 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.370 -1.909 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.657 0.259 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.732 0.193 -12.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.455 -0.325 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.448 -1.682 -13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.406 -1.618 -11.790 1.00 0.00 H new ATOM 1025 N SER A 74 9.964 -2.478 -6.948 1.00 0.00 N ATOM 1026 CA SER A 74 10.748 -3.300 -5.972 1.00 0.00 C ATOM 1027 C SER A 74 12.036 -3.818 -6.617 1.00 0.00 C ATOM 1028 O SER A 74 13.097 -3.250 -6.447 1.00 0.00 O ATOM 1029 CB SER A 74 9.898 -4.488 -5.520 1.00 0.00 C ATOM 1030 OG SER A 74 9.104 -4.106 -4.406 1.00 0.00 O ATOM 0 H SER A 74 9.089 -2.896 -7.263 1.00 0.00 H new ATOM 0 HA SER A 74 11.010 -2.677 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.259 -4.824 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.540 -5.327 -5.252 1.00 0.00 H new ATOM 0 HG SER A 74 8.558 -4.867 -4.117 1.00 0.00 H new ATOM 1036 N SER A 75 11.955 -4.898 -7.338 1.00 0.00 N ATOM 1037 CA SER A 75 13.193 -5.463 -7.975 1.00 0.00 C ATOM 1038 C SER A 75 13.502 -4.721 -9.278 1.00 0.00 C ATOM 1039 O SER A 75 12.897 -3.715 -9.593 1.00 0.00 O ATOM 1040 CB SER A 75 12.978 -6.947 -8.278 1.00 0.00 C ATOM 1041 OG SER A 75 12.249 -7.082 -9.490 1.00 0.00 O ATOM 0 H SER A 75 11.096 -5.417 -7.518 1.00 0.00 H new ATOM 0 HA SER A 75 14.031 -5.343 -7.288 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.939 -7.455 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.436 -7.421 -7.460 1.00 0.00 H new ATOM 0 HG SER A 75 12.112 -8.033 -9.685 1.00 0.00 H new ATOM 1047 N GLY A 76 14.448 -5.213 -10.035 1.00 0.00 N ATOM 1048 CA GLY A 76 14.811 -4.544 -11.316 1.00 0.00 C ATOM 1049 C GLY A 76 16.166 -5.069 -11.793 1.00 0.00 C ATOM 1050 O GLY A 76 16.548 -6.185 -11.500 1.00 0.00 O ATOM 0 H GLY A 76 14.986 -6.052 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.047 -4.737 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.855 -3.464 -11.176 1.00 0.00 H new ATOM 1054 N ASP A 77 16.900 -4.273 -12.523 1.00 0.00 N ATOM 1055 CA ASP A 77 18.229 -4.725 -13.013 1.00 0.00 C ATOM 1056 C ASP A 77 19.324 -3.938 -12.285 1.00 0.00 C ATOM 1057 O ASP A 77 19.072 -3.294 -11.288 1.00 0.00 O ATOM 1058 CB ASP A 77 18.332 -4.482 -14.525 1.00 0.00 C ATOM 1059 CG ASP A 77 17.394 -3.345 -14.939 1.00 0.00 C ATOM 1060 OD1 ASP A 77 16.253 -3.633 -15.262 1.00 0.00 O ATOM 1061 OD2 ASP A 77 17.833 -2.207 -14.929 1.00 0.00 O ATOM 0 H ASP A 77 16.634 -3.328 -12.800 1.00 0.00 H new ATOM 0 HA ASP A 77 18.351 -5.790 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.359 -4.233 -14.792 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.074 -5.392 -15.066 1.00 0.00 H new ATOM 1066 N LEU A 78 20.536 -3.980 -12.773 1.00 0.00 N ATOM 1067 CA LEU A 78 21.629 -3.235 -12.103 1.00 0.00 C ATOM 1068 C LEU A 78 21.597 -3.523 -10.601 1.00 0.00 C ATOM 1069 O LEU A 78 20.811 -4.322 -10.131 1.00 0.00 O ATOM 1070 CB LEU A 78 21.434 -1.740 -12.341 1.00 0.00 C ATOM 1071 CG LEU A 78 21.483 -1.448 -13.842 1.00 0.00 C ATOM 1072 CD1 LEU A 78 20.562 -0.269 -14.164 1.00 0.00 C ATOM 1073 CD2 LEU A 78 22.918 -1.097 -14.244 1.00 0.00 C ATOM 0 H LEU A 78 20.811 -4.499 -13.607 1.00 0.00 H new ATOM 0 HA LEU A 78 22.591 -3.548 -12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.478 -1.418 -11.929 1.00 0.00 H new ATOM 0 HB3 LEU A 78 22.210 -1.175 -11.825 1.00 0.00 H new ATOM 0 HG LEU A 78 21.153 -2.328 -14.395 1.00 0.00 H new ATOM 0 HD11 LEU A 78 20.597 -0.061 -15.233 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.540 -0.516 -13.876 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.892 0.611 -13.612 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.956 -0.888 -15.313 1.00 0.00 H new ATOM 0 HD22 LEU A 78 23.246 -0.217 -13.691 1.00 0.00 H new ATOM 0 HD23 LEU A 78 23.576 -1.935 -14.014 1.00 0.00 H new ATOM 1085 N GLN A 79 22.439 -2.879 -9.840 1.00 0.00 N ATOM 1086 CA GLN A 79 22.451 -3.117 -8.378 1.00 0.00 C ATOM 1087 C GLN A 79 22.307 -1.770 -7.657 1.00 0.00 C ATOM 1088 O GLN A 79 21.251 -1.173 -7.675 1.00 0.00 O ATOM 1089 CB GLN A 79 23.754 -3.829 -8.000 1.00 0.00 C ATOM 1090 CG GLN A 79 24.052 -4.915 -9.035 1.00 0.00 C ATOM 1091 CD GLN A 79 22.996 -6.017 -8.937 1.00 0.00 C ATOM 1092 OE1 GLN A 79 22.256 -6.251 -9.871 1.00 0.00 O ATOM 1093 NE2 GLN A 79 22.898 -6.710 -7.836 1.00 0.00 N ATOM 0 H GLN A 79 23.120 -2.197 -10.174 1.00 0.00 H new ATOM 0 HA GLN A 79 21.619 -3.754 -8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.575 -3.113 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.667 -4.270 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.054 -4.486 -10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.045 -5.332 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.520 -6.513 -7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.199 -7.449 -7.759 1.00 0.00 H new ATOM 1102 N SER A 80 23.357 -1.290 -7.044 1.00 0.00 N ATOM 1103 CA SER A 80 23.308 0.023 -6.326 1.00 0.00 C ATOM 1104 C SER A 80 21.906 0.283 -5.767 1.00 0.00 C ATOM 1105 O SER A 80 21.584 -0.109 -4.662 1.00 0.00 O ATOM 1106 CB SER A 80 23.688 1.140 -7.299 1.00 0.00 C ATOM 1107 OG SER A 80 23.527 0.682 -8.633 1.00 0.00 O ATOM 0 H SER A 80 24.262 -1.759 -7.009 1.00 0.00 H new ATOM 0 HA SER A 80 24.011 -0.003 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 80 23.062 2.016 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.720 1.447 -7.131 1.00 0.00 H new ATOM 0 HG SER A 80 23.769 1.399 -9.256 1.00 0.00 H new ATOM 1113 N CYS A 81 21.073 0.946 -6.524 1.00 0.00 N ATOM 1114 CA CYS A 81 19.688 1.238 -6.042 1.00 0.00 C ATOM 1115 C CYS A 81 19.758 2.240 -4.883 1.00 0.00 C ATOM 1116 O CYS A 81 20.722 2.269 -4.145 1.00 0.00 O ATOM 1117 CB CYS A 81 19.013 -0.053 -5.559 1.00 0.00 C ATOM 1118 SG CYS A 81 17.814 -0.599 -6.799 1.00 0.00 S ATOM 0 H CYS A 81 21.290 1.299 -7.456 1.00 0.00 H new ATOM 0 HA CYS A 81 19.105 1.658 -6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 81 19.761 -0.828 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 81 18.515 0.118 -4.605 1.00 0.00 H new ATOM 1123 N GLU A 82 18.744 3.059 -4.715 1.00 0.00 N ATOM 1124 CA GLU A 82 18.751 4.056 -3.608 1.00 0.00 C ATOM 1125 C GLU A 82 17.782 5.187 -3.940 1.00 0.00 C ATOM 1126 O GLU A 82 17.427 5.405 -5.089 1.00 0.00 O ATOM 1127 CB GLU A 82 20.150 4.634 -3.432 1.00 0.00 C ATOM 1128 CG GLU A 82 20.835 3.966 -2.238 1.00 0.00 C ATOM 1129 CD GLU A 82 21.210 5.033 -1.208 1.00 0.00 C ATOM 1130 OE1 GLU A 82 20.308 5.599 -0.615 1.00 0.00 O ATOM 1131 OE2 GLU A 82 22.394 5.265 -1.029 1.00 0.00 O ATOM 0 H GLU A 82 17.911 3.075 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 82 18.447 3.563 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.737 4.475 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.092 5.711 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.170 3.228 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 82 21.727 3.433 -2.567 1.00 0.00 H new ATOM 1138 N PHE A 83 17.363 5.910 -2.936 1.00 0.00 N ATOM 1139 CA PHE A 83 16.416 7.048 -3.172 1.00 0.00 C ATOM 1140 C PHE A 83 17.207 8.294 -3.603 1.00 0.00 C ATOM 1141 O PHE A 83 16.990 9.376 -3.100 1.00 0.00 O ATOM 1142 CB PHE A 83 15.605 7.390 -1.904 1.00 0.00 C ATOM 1143 CG PHE A 83 14.918 6.141 -1.366 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.652 5.163 -0.679 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.536 5.964 -1.556 1.00 0.00 C ATOM 1146 CE1 PHE A 83 15.010 4.018 -0.188 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.898 4.819 -1.063 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.635 3.847 -0.380 1.00 0.00 C ATOM 0 H PHE A 83 17.633 5.765 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 83 15.721 6.742 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.265 7.807 -1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.861 8.153 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.714 5.292 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.965 6.713 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.578 3.266 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.836 4.687 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.143 2.964 -0.001 1.00 0.00 H new ATOM 1158 N HIS A 84 18.125 8.142 -4.528 1.00 0.00 N ATOM 1159 CA HIS A 84 18.939 9.303 -5.007 1.00 0.00 C ATOM 1160 C HIS A 84 19.899 9.774 -3.907 1.00 0.00 C ATOM 1161 O HIS A 84 19.593 10.681 -3.158 1.00 0.00 O ATOM 1162 CB HIS A 84 18.022 10.464 -5.418 1.00 0.00 C ATOM 1163 CG HIS A 84 18.852 11.693 -5.665 1.00 0.00 C ATOM 1164 ND1 HIS A 84 18.324 12.971 -5.581 1.00 0.00 N ATOM 1165 CD2 HIS A 84 20.174 11.853 -5.990 1.00 0.00 C ATOM 1166 CE1 HIS A 84 19.317 13.838 -5.850 1.00 0.00 C ATOM 1167 NE2 HIS A 84 20.469 13.209 -6.106 1.00 0.00 N ATOM 0 H HIS A 84 18.347 7.253 -4.976 1.00 0.00 H new ATOM 0 HA HIS A 84 19.518 8.980 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 84 17.465 10.201 -6.317 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.289 10.658 -4.635 1.00 0.00 H new ATOM 0 HD2 HIS A 84 20.880 11.049 -6.134 1.00 0.00 H new ATOM 0 HE1 HIS A 84 19.198 14.911 -5.858 1.00 0.00 H new ATOM 0 HE2 HIS A 84 21.369 13.631 -6.336 1.00 0.00 H new ATOM 1175 N ASP A 85 21.057 9.162 -3.810 1.00 0.00 N ATOM 1176 CA ASP A 85 22.054 9.566 -2.764 1.00 0.00 C ATOM 1177 C ASP A 85 21.754 8.811 -1.463 1.00 0.00 C ATOM 1178 O ASP A 85 21.451 7.634 -1.480 1.00 0.00 O ATOM 1179 CB ASP A 85 22.001 11.086 -2.509 1.00 0.00 C ATOM 1180 CG ASP A 85 23.339 11.544 -1.922 1.00 0.00 C ATOM 1181 OD1 ASP A 85 24.248 10.735 -1.867 1.00 0.00 O ATOM 1182 OD2 ASP A 85 23.429 12.700 -1.538 1.00 0.00 O ATOM 0 H ASP A 85 21.356 8.396 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 85 23.054 9.315 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.798 11.616 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.188 11.324 -1.823 1.00 0.00 H new ATOM 1187 N GLU A 86 21.829 9.468 -0.331 1.00 0.00 N ATOM 1188 CA GLU A 86 21.541 8.770 0.954 1.00 0.00 C ATOM 1189 C GLU A 86 20.604 9.633 1.808 1.00 0.00 C ATOM 1190 O GLU A 86 20.956 10.037 2.898 1.00 0.00 O ATOM 1191 CB GLU A 86 22.849 8.530 1.713 1.00 0.00 C ATOM 1192 CG GLU A 86 23.431 9.871 2.174 1.00 0.00 C ATOM 1193 CD GLU A 86 24.742 10.149 1.431 1.00 0.00 C ATOM 1194 OE1 GLU A 86 25.165 9.293 0.672 1.00 0.00 O ATOM 1195 OE2 GLU A 86 25.300 11.215 1.634 1.00 0.00 O ATOM 0 H GLU A 86 22.077 10.454 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 86 21.063 7.813 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.669 7.886 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.563 8.013 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 86 22.717 10.673 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 86 23.609 9.851 3.249 1.00 0.00 H new ATOM 1202 N PRO A 87 19.435 9.882 1.280 1.00 0.00 N ATOM 1203 CA PRO A 87 18.383 10.702 1.955 1.00 0.00 C ATOM 1204 C PRO A 87 17.618 9.862 2.994 1.00 0.00 C ATOM 1205 O PRO A 87 16.405 9.828 2.990 1.00 0.00 O ATOM 1206 CB PRO A 87 17.462 11.090 0.804 1.00 0.00 C ATOM 1207 CG PRO A 87 17.646 10.044 -0.288 1.00 0.00 C ATOM 1208 CD PRO A 87 19.005 9.377 -0.063 1.00 0.00 C ATOM 0 HA PRO A 87 18.788 11.557 2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.424 11.123 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 87 17.709 12.084 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.845 9.305 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.605 10.508 -1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.924 8.290 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.718 9.651 -0.840 1.00 0.00 H new ATOM 1216 N GLU A 88 18.305 9.181 3.883 1.00 0.00 N ATOM 1217 CA GLU A 88 17.579 8.357 4.904 1.00 0.00 C ATOM 1218 C GLU A 88 16.491 9.208 5.568 1.00 0.00 C ATOM 1219 O GLU A 88 15.541 8.692 6.123 1.00 0.00 O ATOM 1220 CB GLU A 88 18.572 7.875 5.965 1.00 0.00 C ATOM 1221 CG GLU A 88 18.953 6.421 5.682 1.00 0.00 C ATOM 1222 CD GLU A 88 20.462 6.243 5.861 1.00 0.00 C ATOM 1223 OE1 GLU A 88 21.134 7.235 6.093 1.00 0.00 O ATOM 1224 OE2 GLU A 88 20.922 5.117 5.761 1.00 0.00 O ATOM 0 H GLU A 88 19.323 9.160 3.946 1.00 0.00 H new ATOM 0 HA GLU A 88 17.118 7.496 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.462 8.504 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.130 7.960 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.415 5.755 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.662 6.149 4.667 1.00 0.00 H new ATOM 1231 N MET A 89 16.620 10.506 5.513 1.00 0.00 N ATOM 1232 CA MET A 89 15.593 11.390 6.135 1.00 0.00 C ATOM 1233 C MET A 89 15.240 12.512 5.156 1.00 0.00 C ATOM 1234 O MET A 89 15.187 13.672 5.515 1.00 0.00 O ATOM 1235 CB MET A 89 16.150 11.989 7.423 1.00 0.00 C ATOM 1236 CG MET A 89 17.487 12.634 7.107 1.00 0.00 C ATOM 1237 SD MET A 89 18.773 11.923 8.166 1.00 0.00 S ATOM 1238 CE MET A 89 18.578 13.061 9.559 1.00 0.00 C ATOM 0 H MET A 89 17.395 10.994 5.063 1.00 0.00 H new ATOM 0 HA MET A 89 14.699 10.811 6.366 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.458 12.727 7.829 1.00 0.00 H new ATOM 0 HB3 MET A 89 16.271 11.215 8.181 1.00 0.00 H new ATOM 0 HG2 MET A 89 17.738 12.477 6.058 1.00 0.00 H new ATOM 0 HG3 MET A 89 17.428 13.711 7.263 1.00 0.00 H new ATOM 0 HE1 MET A 89 19.288 12.801 10.344 1.00 0.00 H new ATOM 0 HE2 MET A 89 18.765 14.081 9.224 1.00 0.00 H new ATOM 0 HE3 MET A 89 17.563 12.988 9.950 1.00 0.00 H new ATOM 1248 N ALA A 90 15.015 12.171 3.917 1.00 0.00 N ATOM 1249 CA ALA A 90 14.682 13.203 2.898 1.00 0.00 C ATOM 1250 C ALA A 90 14.194 12.509 1.623 1.00 0.00 C ATOM 1251 O ALA A 90 14.374 11.320 1.455 1.00 0.00 O ATOM 1252 CB ALA A 90 15.940 14.007 2.588 1.00 0.00 C ATOM 0 H ALA A 90 15.048 11.214 3.565 1.00 0.00 H new ATOM 0 HA ALA A 90 13.902 13.865 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.711 14.768 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.298 14.488 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.712 13.341 2.202 1.00 0.00 H new ATOM 1258 N LYS A 91 13.574 13.226 0.721 1.00 0.00 N ATOM 1259 CA LYS A 91 13.090 12.567 -0.519 1.00 0.00 C ATOM 1260 C LYS A 91 12.234 11.370 -0.124 1.00 0.00 C ATOM 1261 O LYS A 91 12.675 10.240 -0.166 1.00 0.00 O ATOM 1262 CB LYS A 91 14.288 12.091 -1.344 1.00 0.00 C ATOM 1263 CG LYS A 91 14.186 12.646 -2.764 1.00 0.00 C ATOM 1264 CD LYS A 91 15.401 13.531 -3.052 1.00 0.00 C ATOM 1265 CE LYS A 91 14.970 14.998 -3.059 1.00 0.00 C ATOM 1266 NZ LYS A 91 16.161 15.865 -3.284 1.00 0.00 N ATOM 0 H LYS A 91 13.386 14.226 0.791 1.00 0.00 H new ATOM 0 HA LYS A 91 12.504 13.267 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.217 12.422 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.315 11.002 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.139 11.828 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.268 13.222 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.170 13.370 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.839 13.265 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.231 15.167 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.495 15.253 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.868 16.863 -3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.852 15.711 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.596 15.627 -4.198 1.00 0.00 H new ATOM 1280 N TYR A 92 11.012 11.609 0.256 1.00 0.00 N ATOM 1281 CA TYR A 92 10.123 10.477 0.658 1.00 0.00 C ATOM 1282 C TYR A 92 8.660 10.890 0.480 1.00 0.00 C ATOM 1283 O TYR A 92 8.365 11.990 0.057 1.00 0.00 O ATOM 1284 CB TYR A 92 10.370 10.082 2.127 1.00 0.00 C ATOM 1285 CG TYR A 92 11.735 9.396 2.246 1.00 0.00 C ATOM 1286 CD1 TYR A 92 12.064 8.322 1.400 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.673 9.822 3.210 1.00 0.00 C ATOM 1288 CE1 TYR A 92 13.302 7.683 1.517 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.911 9.177 3.317 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.224 8.108 2.474 1.00 0.00 C ATOM 1291 OH TYR A 92 15.445 7.475 2.587 1.00 0.00 O ATOM 0 H TYR A 92 10.588 12.535 0.307 1.00 0.00 H new ATOM 0 HA TYR A 92 10.347 9.618 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.338 10.966 2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.583 9.412 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.356 7.989 0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.436 10.646 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.545 6.858 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.627 9.507 4.055 1.00 0.00 H new ATOM 0 HH TYR A 92 16.165 8.128 2.460 1.00 0.00 H new ATOM 1301 N THR A 93 7.741 10.018 0.797 1.00 0.00 N ATOM 1302 CA THR A 93 6.301 10.370 0.644 1.00 0.00 C ATOM 1303 C THR A 93 5.438 9.384 1.436 1.00 0.00 C ATOM 1304 O THR A 93 5.494 8.188 1.230 1.00 0.00 O ATOM 1305 CB THR A 93 5.911 10.313 -0.835 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.087 10.276 -1.633 1.00 0.00 O ATOM 1307 CG2 THR A 93 5.086 11.549 -1.196 1.00 0.00 C ATOM 0 H THR A 93 7.925 9.080 1.154 1.00 0.00 H new ATOM 0 HA THR A 93 6.139 11.378 1.025 1.00 0.00 H new ATOM 0 HB THR A 93 5.318 9.417 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.839 10.238 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.809 11.507 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.184 11.576 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.676 12.447 -1.012 1.00 0.00 H new ATOM 1315 N THR A 94 4.634 9.882 2.336 1.00 0.00 N ATOM 1316 CA THR A 94 3.758 8.984 3.141 1.00 0.00 C ATOM 1317 C THR A 94 2.434 8.780 2.392 1.00 0.00 C ATOM 1318 O THR A 94 2.006 9.636 1.643 1.00 0.00 O ATOM 1319 CB THR A 94 3.492 9.634 4.508 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.986 8.654 5.405 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.469 10.763 4.355 1.00 0.00 C ATOM 0 H THR A 94 4.546 10.876 2.549 1.00 0.00 H new ATOM 0 HA THR A 94 4.242 8.019 3.291 1.00 0.00 H new ATOM 0 HB THR A 94 4.423 10.044 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.817 9.066 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.284 11.220 5.327 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.857 11.515 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.537 10.358 3.961 1.00 0.00 H new ATOM 1329 N CYS A 95 1.775 7.664 2.583 1.00 0.00 N ATOM 1330 CA CYS A 95 0.483 7.445 1.870 1.00 0.00 C ATOM 1331 C CYS A 95 -0.335 6.437 2.666 1.00 0.00 C ATOM 1332 O CYS A 95 0.189 5.734 3.504 1.00 0.00 O ATOM 1333 CB CYS A 95 0.742 6.899 0.456 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.832 6.710 -0.420 1.00 0.00 S ATOM 0 H CYS A 95 2.073 6.904 3.195 1.00 0.00 H new ATOM 0 HA CYS A 95 -0.056 8.388 1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.396 7.577 -0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.255 5.939 0.514 1.00 0.00 H new ATOM 1339 N THR A 96 -1.613 6.358 2.435 1.00 0.00 N ATOM 1340 CA THR A 96 -2.426 5.384 3.213 1.00 0.00 C ATOM 1341 C THR A 96 -3.364 4.615 2.287 1.00 0.00 C ATOM 1342 O THR A 96 -4.053 5.187 1.472 1.00 0.00 O ATOM 1343 CB THR A 96 -3.241 6.129 4.276 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.362 6.663 5.255 1.00 0.00 O ATOM 1345 CG2 THR A 96 -4.222 5.163 4.946 1.00 0.00 C ATOM 0 H THR A 96 -2.125 6.916 1.752 1.00 0.00 H new ATOM 0 HA THR A 96 -1.757 4.674 3.699 1.00 0.00 H new ATOM 0 HB THR A 96 -3.798 6.938 3.803 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.881 7.141 5.935 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.799 5.696 5.701 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.898 4.752 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.668 4.352 5.419 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.395 3.316 2.405 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.301 2.520 1.517 1.00 0.00 C ATOM 1355 C PHE A 97 -5.632 2.254 2.216 1.00 0.00 C ATOM 1356 O PHE A 97 -5.678 1.934 3.381 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.685 1.156 1.179 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.325 1.309 0.549 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.812 2.577 0.252 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -1.579 0.166 0.247 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.554 2.698 -0.351 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.322 0.284 -0.350 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.192 1.549 -0.654 1.00 0.00 C ATOM 0 H PHE A 97 -2.841 2.773 3.068 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.448 3.102 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.602 0.557 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.344 0.616 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.386 3.461 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.976 -0.812 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.158 3.676 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.253 -0.601 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.161 1.641 -1.121 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.718 2.330 1.506 1.00 0.00 N ATOM 1374 CA VAL A 98 -8.023 2.019 2.140 1.00 0.00 C ATOM 1375 C VAL A 98 -8.632 0.853 1.359 1.00 0.00 C ATOM 1376 O VAL A 98 -9.318 1.043 0.376 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.950 3.237 2.079 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.145 3.019 3.010 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.182 4.485 2.517 1.00 0.00 C ATOM 0 H VAL A 98 -6.759 2.592 0.521 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.890 1.758 3.190 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.307 3.370 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.804 3.886 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.693 2.131 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.790 2.885 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.841 5.352 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.824 4.352 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.333 4.642 1.852 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.346 -0.355 1.762 1.00 0.00 N ATOM 1390 CA VAL A 99 -8.864 -1.533 1.014 1.00 0.00 C ATOM 1391 C VAL A 99 -10.264 -1.907 1.492 1.00 0.00 C ATOM 1392 O VAL A 99 -10.676 -1.580 2.581 1.00 0.00 O ATOM 1393 CB VAL A 99 -7.923 -2.720 1.235 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.217 -3.803 0.194 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.473 -2.255 1.096 1.00 0.00 C ATOM 0 H VAL A 99 -7.775 -0.576 2.578 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.914 -1.280 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.078 -3.126 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.548 -4.649 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.250 -4.134 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.063 -3.398 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.803 -3.100 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.315 -1.848 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.265 -1.484 1.838 1.00 0.00 H new ATOM 1405 N TYR A 100 -10.989 -2.611 0.676 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.354 -3.037 1.060 1.00 0.00 C ATOM 1407 C TYR A 100 -12.437 -4.547 0.848 1.00 0.00 C ATOM 1408 O TYR A 100 -11.902 -5.064 -0.110 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.351 -2.326 0.164 1.00 0.00 C ATOM 1410 CG TYR A 100 -14.592 -1.915 0.988 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.281 -2.857 1.797 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -15.064 -0.587 0.953 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.403 -2.462 2.538 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -16.186 -0.209 1.698 1.00 0.00 C ATOM 1415 CZ TYR A 100 -16.853 -1.142 2.487 1.00 0.00 C ATOM 1416 OH TYR A 100 -17.960 -0.760 3.217 1.00 0.00 O ATOM 0 H TYR A 100 -10.689 -2.912 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.575 -2.793 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.890 -1.444 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.648 -2.979 -0.657 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.939 -3.881 1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.554 0.146 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.922 -3.183 3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.537 0.812 1.661 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.317 -1.535 3.699 1.00 0.00 H new ATOM 1426 N SER A 101 -13.067 -5.274 1.724 1.00 0.00 N ATOM 1427 CA SER A 101 -13.117 -6.750 1.519 1.00 0.00 C ATOM 1428 C SER A 101 -14.331 -7.360 2.217 1.00 0.00 C ATOM 1429 O SER A 101 -14.537 -7.177 3.398 1.00 0.00 O ATOM 1430 CB SER A 101 -11.841 -7.377 2.084 1.00 0.00 C ATOM 1431 OG SER A 101 -11.835 -8.770 1.807 1.00 0.00 O ATOM 0 H SER A 101 -13.541 -4.923 2.556 1.00 0.00 H new ATOM 0 HA SER A 101 -13.198 -6.950 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.964 -6.904 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.786 -7.209 3.160 1.00 0.00 H new ATOM 0 HG SER A 101 -11.017 -9.172 2.167 1.00 0.00 H new ATOM 1437 N ILE A 102 -15.128 -8.102 1.496 1.00 0.00 N ATOM 1438 CA ILE A 102 -16.318 -8.742 2.124 1.00 0.00 C ATOM 1439 C ILE A 102 -16.818 -9.879 1.215 1.00 0.00 C ATOM 1440 O ILE A 102 -17.413 -9.615 0.187 1.00 0.00 O ATOM 1441 CB ILE A 102 -17.455 -7.729 2.279 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -16.934 -6.304 2.072 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -18.076 -7.863 3.684 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -18.121 -5.338 1.987 1.00 0.00 C ATOM 0 H ILE A 102 -15.006 -8.292 0.501 1.00 0.00 H new ATOM 0 HA ILE A 102 -16.029 -9.121 3.104 1.00 0.00 H new ATOM 0 HB ILE A 102 -18.215 -7.932 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -16.278 -6.021 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -16.341 -6.250 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -18.886 -7.142 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -18.469 -8.872 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -17.313 -7.671 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -17.754 -4.322 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -18.759 -5.618 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -18.696 -5.385 2.912 1.00 0.00 H new ATOM 1456 N PRO A 103 -16.580 -11.107 1.610 1.00 0.00 N ATOM 1457 CA PRO A 103 -17.019 -12.305 0.836 1.00 0.00 C ATOM 1458 C PRO A 103 -18.459 -12.674 1.223 1.00 0.00 C ATOM 1459 O PRO A 103 -19.068 -13.545 0.634 1.00 0.00 O ATOM 1460 CB PRO A 103 -16.041 -13.380 1.294 1.00 0.00 C ATOM 1461 CG PRO A 103 -15.523 -12.967 2.669 1.00 0.00 C ATOM 1462 CD PRO A 103 -15.847 -11.481 2.866 1.00 0.00 C ATOM 0 HA PRO A 103 -17.018 -12.161 -0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -16.534 -14.351 1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -15.218 -13.477 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -15.991 -13.567 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -14.448 -13.136 2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.462 -11.319 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -14.942 -10.887 2.993 1.00 0.00 H new ATOM 1470 N TRP A 104 -18.984 -12.044 2.247 1.00 0.00 N ATOM 1471 CA TRP A 104 -20.379 -12.398 2.715 1.00 0.00 C ATOM 1472 C TRP A 104 -21.499 -11.833 1.836 1.00 0.00 C ATOM 1473 O TRP A 104 -22.637 -12.234 1.978 1.00 0.00 O ATOM 1474 CB TRP A 104 -20.604 -11.962 4.171 1.00 0.00 C ATOM 1475 CG TRP A 104 -21.209 -10.579 4.325 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -22.070 -10.285 5.321 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -21.045 -9.311 3.565 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -22.409 -8.959 5.259 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -21.816 -8.316 4.215 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -20.324 -8.903 2.419 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -21.867 -6.999 3.772 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -20.384 -7.558 1.971 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -21.150 -6.616 2.655 1.00 0.00 C ATOM 0 H TRP A 104 -18.520 -11.307 2.779 1.00 0.00 H new ATOM 0 HA TRP A 104 -20.433 -13.484 2.636 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -21.256 -12.687 4.658 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -19.650 -11.988 4.697 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -22.436 -10.988 6.055 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -23.036 -8.503 5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -19.723 -9.621 1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.468 -6.275 4.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -19.831 -7.262 1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.183 -5.592 2.314 1.00 0.00 H new ATOM 1494 N LEU A 105 -21.238 -10.932 0.942 1.00 0.00 N ATOM 1495 CA LEU A 105 -22.341 -10.418 0.119 1.00 0.00 C ATOM 1496 C LEU A 105 -21.800 -10.017 -1.264 1.00 0.00 C ATOM 1497 O LEU A 105 -22.438 -9.287 -1.993 1.00 0.00 O ATOM 1498 CB LEU A 105 -22.975 -9.212 0.820 1.00 0.00 C ATOM 1499 CG LEU A 105 -23.735 -9.654 2.094 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -24.262 -8.426 2.824 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -24.908 -10.553 1.704 1.00 0.00 C ATOM 0 H LEU A 105 -20.318 -10.536 0.750 1.00 0.00 H new ATOM 0 HA LEU A 105 -23.101 -11.188 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.201 -8.491 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.661 -8.708 0.138 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.056 -10.203 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -24.797 -8.738 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -23.427 -7.783 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.939 -7.877 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.442 -10.864 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -25.586 -10.004 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -24.534 -11.433 1.182 1.00 0.00 H new ATOM 1513 N ASN A 106 -20.625 -10.496 -1.627 1.00 0.00 N ATOM 1514 CA ASN A 106 -20.034 -10.157 -2.961 1.00 0.00 C ATOM 1515 C ASN A 106 -19.376 -8.776 -2.903 1.00 0.00 C ATOM 1516 O ASN A 106 -19.894 -7.819 -3.444 1.00 0.00 O ATOM 1517 CB ASN A 106 -21.116 -10.149 -4.059 1.00 0.00 C ATOM 1518 CG ASN A 106 -20.434 -10.054 -5.427 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -19.233 -9.892 -5.510 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -21.157 -10.146 -6.510 1.00 0.00 N ATOM 0 H ASN A 106 -20.051 -11.110 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 106 -19.290 -10.917 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -21.719 -11.055 -4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -21.792 -9.306 -3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -20.713 -10.082 -7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -22.165 -10.282 -6.440 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.232 -8.651 -2.274 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.575 -7.299 -2.239 1.00 0.00 C ATOM 1529 C GLN A 107 -16.073 -7.405 -2.024 1.00 0.00 C ATOM 1530 O GLN A 107 -15.557 -8.346 -1.451 1.00 0.00 O ATOM 1531 CB GLN A 107 -18.182 -6.415 -1.152 1.00 0.00 C ATOM 1532 CG GLN A 107 -18.267 -4.975 -1.661 1.00 0.00 C ATOM 1533 CD GLN A 107 -19.123 -4.932 -2.927 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -18.539 -4.881 -4.092 1.00 0.00 O flip ATOM 1535 NE2 GLN A 107 -20.336 -4.942 -2.855 1.00 0.00 N flip ATOM 0 H GLN A 107 -17.734 -9.401 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.754 -6.842 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -19.175 -6.778 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -17.573 -6.459 -0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -18.700 -4.332 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.268 -4.593 -1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -20.792 -4.982 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -20.898 -4.911 -3.706 1.00 0.00 H new ATOM 1544 N ILE A 108 -15.389 -6.409 -2.500 1.00 0.00 N ATOM 1545 CA ILE A 108 -13.906 -6.351 -2.390 1.00 0.00 C ATOM 1546 C ILE A 108 -13.409 -5.251 -3.342 1.00 0.00 C ATOM 1547 O ILE A 108 -13.682 -5.284 -4.525 1.00 0.00 O ATOM 1548 CB ILE A 108 -13.316 -7.730 -2.772 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -12.432 -8.239 -1.634 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -12.475 -7.642 -4.050 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -11.304 -7.235 -1.380 1.00 0.00 C ATOM 0 H ILE A 108 -15.806 -5.609 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.590 -6.119 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.146 -8.415 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -13.025 -8.373 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.016 -9.214 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.075 -8.627 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.099 -7.292 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.652 -6.944 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.672 -7.596 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.706 -7.124 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.731 -6.270 -1.106 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.697 -4.276 -2.851 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.218 -3.200 -3.764 1.00 0.00 C ATOM 1565 C LYS A 109 -10.988 -2.501 -3.180 1.00 0.00 C ATOM 1566 O LYS A 109 -10.365 -2.974 -2.249 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.333 -2.173 -3.966 1.00 0.00 C ATOM 1568 CG LYS A 109 -13.532 -1.928 -5.463 1.00 0.00 C ATOM 1569 CD LYS A 109 -14.947 -2.347 -5.864 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.051 -2.393 -7.390 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.156 -1.500 -7.840 1.00 0.00 N ATOM 0 H LYS A 109 -12.429 -4.177 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.945 -3.650 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.260 -2.533 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.078 -1.240 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.374 -0.875 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.797 -2.494 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.182 -3.325 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.675 -1.643 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.109 -2.078 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.237 -3.415 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.227 -1.531 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.053 -1.820 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.960 -0.525 -7.535 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.649 -1.371 -3.734 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.481 -0.601 -3.258 1.00 0.00 C ATOM 1587 C LEU A 110 -9.817 0.885 -3.423 1.00 0.00 C ATOM 1588 O LEU A 110 -9.547 1.483 -4.446 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.264 -0.952 -4.109 1.00 0.00 C ATOM 1590 CG LEU A 110 -6.986 -0.410 -3.458 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.031 1.119 -3.409 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -6.862 -0.962 -2.035 1.00 0.00 C ATOM 0 H LEU A 110 -11.148 -0.944 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.257 -0.832 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.191 -2.034 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.377 -0.532 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.125 -0.724 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.119 1.495 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.112 1.513 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.894 1.439 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.953 -0.576 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.727 -0.653 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.817 -2.051 -2.070 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.426 1.464 -2.435 1.00 0.00 N ATOM 1605 CA LEU A 111 -10.822 2.896 -2.509 1.00 0.00 C ATOM 1606 C LEU A 111 -9.723 3.700 -3.201 1.00 0.00 C ATOM 1607 O LEU A 111 -9.909 4.217 -4.285 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.036 3.423 -1.092 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.096 4.526 -1.103 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.438 3.944 -1.552 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.241 5.101 0.306 1.00 0.00 C ATOM 0 H LEU A 111 -10.672 0.999 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.744 2.995 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.350 2.611 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.099 3.811 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.793 5.314 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.192 4.731 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.337 3.529 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.742 3.157 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.996 5.887 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.544 4.310 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.286 5.516 0.630 1.00 0.00 H new ATOM 1623 N GLU A 112 -8.578 3.800 -2.593 1.00 0.00 N ATOM 1624 CA GLU A 112 -7.468 4.567 -3.236 1.00 0.00 C ATOM 1625 C GLU A 112 -6.283 4.659 -2.278 1.00 0.00 C ATOM 1626 O GLU A 112 -6.281 4.073 -1.214 1.00 0.00 O ATOM 1627 CB GLU A 112 -7.943 5.986 -3.591 1.00 0.00 C ATOM 1628 CG GLU A 112 -8.998 6.438 -2.580 1.00 0.00 C ATOM 1629 CD GLU A 112 -8.976 7.965 -2.468 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -9.550 8.611 -3.330 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -8.384 8.462 -1.526 1.00 0.00 O ATOM 0 H GLU A 112 -8.358 3.389 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.165 4.050 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.099 6.676 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.359 6.000 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.986 6.100 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.801 5.988 -1.607 1.00 0.00 H new ATOM 1638 N SER A 113 -5.270 5.391 -2.653 1.00 0.00 N ATOM 1639 CA SER A 113 -4.079 5.523 -1.773 1.00 0.00 C ATOM 1640 C SER A 113 -3.927 6.979 -1.329 1.00 0.00 C ATOM 1641 O SER A 113 -3.360 7.798 -2.023 1.00 0.00 O ATOM 1642 CB SER A 113 -2.838 5.079 -2.533 1.00 0.00 C ATOM 1643 OG SER A 113 -1.905 4.510 -1.628 1.00 0.00 O ATOM 0 H SER A 113 -5.218 5.904 -3.533 1.00 0.00 H new ATOM 0 HA SER A 113 -4.204 4.894 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.108 4.351 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.390 5.930 -3.047 1.00 0.00 H new ATOM 0 HG SER A 113 -2.079 3.550 -1.539 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.444 7.305 -0.179 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.350 8.705 0.329 1.00 0.00 C ATOM 1651 C LYS A 114 -2.875 9.114 0.502 1.00 0.00 C ATOM 1652 O LYS A 114 -2.321 8.987 1.576 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.046 8.798 1.690 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.243 9.746 1.588 1.00 0.00 C ATOM 1655 CD LYS A 114 -6.548 10.332 2.969 1.00 0.00 C ATOM 1656 CE LYS A 114 -7.403 11.593 2.813 1.00 0.00 C ATOM 1657 NZ LYS A 114 -7.962 11.981 4.138 1.00 0.00 N ATOM 0 H LYS A 114 -4.933 6.657 0.438 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.829 9.371 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.377 7.810 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.346 9.158 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.027 10.547 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.113 9.211 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.073 9.597 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.619 10.572 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.800 12.406 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.211 11.412 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.543 12.837 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.550 11.207 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.184 12.170 4.801 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.231 9.620 -0.527 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.799 10.044 -0.360 1.00 0.00 C ATOM 1673 C CYS A 115 -0.700 11.567 -0.475 1.00 0.00 C ATOM 1674 O CYS A 115 -0.449 12.105 -1.535 1.00 0.00 O ATOM 1675 CB CYS A 115 0.121 9.395 -1.414 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.637 7.882 -2.056 1.00 0.00 S ATOM 0 H CYS A 115 -2.625 9.756 -1.458 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.469 9.713 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.302 10.095 -2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.090 9.165 -0.970 1.00 0.00 H new ATOM 1681 N GLN A 116 -0.896 12.269 0.612 1.00 0.00 N ATOM 1682 CA GLN A 116 -0.816 13.759 0.566 1.00 0.00 C ATOM 1683 C GLN A 116 -1.900 14.296 -0.369 1.00 0.00 C ATOM 1684 CB GLN A 116 0.566 14.190 0.054 1.00 0.00 C ATOM 1685 CG GLN A 116 0.539 15.680 -0.299 1.00 0.00 C ATOM 1686 CD GLN A 116 1.966 16.166 -0.562 1.00 0.00 C ATOM 1687 OE1 GLN A 116 2.909 15.661 0.015 1.00 0.00 O ATOM 1688 NE2 GLN A 116 2.166 17.135 -1.415 1.00 0.00 N ATOM 0 H GLN A 116 -1.108 11.874 1.528 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.967 14.160 1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 116 1.323 13.999 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.840 13.603 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.081 15.845 -1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.093 16.250 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 116 1.375 17.559 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 116 3.113 17.467 -1.596 1.00 0.00 H new TER 1697 GLN A 116