USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 18 TYR OH : rot 30:sc= 0.493 USER MOD Set 1.2: A 83 GLN : amide:sc= 0.534 X(o=1,f=0.58) USER MOD Single : A 1 SER N :NH3+ -139:sc=-0.00344 (180deg=-0.782) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.0697 (180deg=-0.493) USER MOD Single : A 8 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.0048) USER MOD Single : A 11 TYR OH : rot -165:sc= 0.802 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 159:sc= 0.347 USER MOD Single : A 22 GLN : amide:sc= -5.86! K(o=-5.9!,f=-1.5) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -5.64! K(o=-5.6!,f=-0.91) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -7.23! K(o=-7.2!,f=-0.91) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -4.58! C(o=-4.6!,f=-5.3!) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.855 (180deg=-1.25) USER MOD Single : A 68 THR OG1 : rot -25:sc= 0.177 USER MOD Single : A 69 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.01) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.6!) USER MOD Single : A 81 ASN : amide:sc= -17.3! C(o=-17!,f=-16!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0599 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -30.689 -13.897 -3.577 1.00 0.00 N ATOM 2 CA SER A 1 -31.459 -13.062 -2.622 1.00 0.00 C ATOM 3 C SER A 1 -30.997 -11.606 -2.672 1.00 0.00 C ATOM 4 O SER A 1 -30.290 -11.142 -1.777 1.00 0.00 O ATOM 5 CB SER A 1 -31.303 -13.608 -1.201 1.00 0.00 C ATOM 6 OG SER A 1 -32.038 -12.832 -0.272 1.00 0.00 O ATOM 0 H1 SER A 1 -31.331 -14.565 -4.050 1.00 0.00 H new ATOM 0 H2 SER A 1 -30.240 -13.286 -4.289 1.00 0.00 H new ATOM 0 H3 SER A 1 -29.956 -14.426 -3.063 1.00 0.00 H new ATOM 0 HA SER A 1 -32.510 -13.100 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 1 -31.645 -14.642 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 1 -30.249 -13.611 -0.923 1.00 0.00 H new ATOM 0 HG SER A 1 -31.923 -13.203 0.628 1.00 0.00 H new ATOM 14 N PRO A 2 -31.391 -10.866 -3.726 1.00 0.00 N ATOM 15 CA PRO A 2 -31.015 -9.462 -3.888 1.00 0.00 C ATOM 16 C PRO A 2 -31.893 -8.525 -3.068 1.00 0.00 C ATOM 17 O PRO A 2 -32.633 -7.710 -3.621 1.00 0.00 O ATOM 18 CB PRO A 2 -31.229 -9.225 -5.381 1.00 0.00 C ATOM 19 CG PRO A 2 -32.356 -10.132 -5.740 1.00 0.00 C ATOM 20 CD PRO A 2 -32.229 -11.341 -4.847 1.00 0.00 C ATOM 0 HA PRO A 2 -30.000 -9.264 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -31.475 -8.183 -5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -30.332 -9.460 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -33.316 -9.637 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -32.305 -10.418 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -33.203 -11.686 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -31.762 -12.176 -5.369 1.00 0.00 H new ATOM 28 N ALA A 3 -31.809 -8.644 -1.747 1.00 0.00 N ATOM 29 CA ALA A 3 -32.585 -7.788 -0.861 1.00 0.00 C ATOM 30 C ALA A 3 -32.113 -6.348 -0.993 1.00 0.00 C ATOM 31 O ALA A 3 -32.733 -5.420 -0.475 1.00 0.00 O ATOM 32 CB ALA A 3 -32.467 -8.264 0.580 1.00 0.00 C ATOM 0 H ALA A 3 -31.214 -9.321 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 3 -33.635 -7.841 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -33.053 -7.612 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -32.841 -9.285 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -31.422 -8.236 0.888 1.00 0.00 H new ATOM 38 N ALA A 4 -31.000 -6.183 -1.700 1.00 0.00 N ATOM 39 CA ALA A 4 -30.412 -4.875 -1.937 1.00 0.00 C ATOM 40 C ALA A 4 -30.858 -4.327 -3.286 1.00 0.00 C ATOM 41 O ALA A 4 -30.147 -3.542 -3.915 1.00 0.00 O ATOM 42 CB ALA A 4 -28.897 -4.971 -1.874 1.00 0.00 C ATOM 0 H ALA A 4 -30.483 -6.953 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 4 -30.753 -4.189 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -28.462 -3.987 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -28.596 -5.328 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.545 -5.667 -2.635 1.00 0.00 H new ATOM 48 N MET A 5 -32.035 -4.763 -3.724 1.00 0.00 N ATOM 49 CA MET A 5 -32.599 -4.337 -5.000 1.00 0.00 C ATOM 50 C MET A 5 -32.421 -2.838 -5.215 1.00 0.00 C ATOM 51 O MET A 5 -31.663 -2.411 -6.086 1.00 0.00 O ATOM 52 CB MET A 5 -34.082 -4.689 -5.053 1.00 0.00 C ATOM 53 CG MET A 5 -34.685 -4.587 -6.444 1.00 0.00 C ATOM 54 SD MET A 5 -36.467 -4.868 -6.453 1.00 0.00 S ATOM 55 CE MET A 5 -36.555 -6.544 -5.825 1.00 0.00 C ATOM 0 H MET A 5 -32.622 -5.418 -3.208 1.00 0.00 H new ATOM 0 HA MET A 5 -32.066 -4.860 -5.794 1.00 0.00 H new ATOM 0 HB2 MET A 5 -34.219 -5.704 -4.681 1.00 0.00 H new ATOM 0 HB3 MET A 5 -34.628 -4.027 -4.381 1.00 0.00 H new ATOM 0 HG2 MET A 5 -34.475 -3.600 -6.855 1.00 0.00 H new ATOM 0 HG3 MET A 5 -34.203 -5.314 -7.098 1.00 0.00 H new ATOM 0 HE1 MET A 5 -37.534 -6.966 -6.051 1.00 0.00 H new ATOM 0 HE2 MET A 5 -35.781 -7.150 -6.296 1.00 0.00 H new ATOM 0 HE3 MET A 5 -36.403 -6.537 -4.746 1.00 0.00 H new ATOM 65 N GLU A 6 -33.126 -2.043 -4.415 1.00 0.00 N ATOM 66 CA GLU A 6 -33.048 -0.592 -4.524 1.00 0.00 C ATOM 67 C GLU A 6 -32.207 -0.002 -3.395 1.00 0.00 C ATOM 68 O GLU A 6 -32.085 1.216 -3.272 1.00 0.00 O ATOM 69 CB GLU A 6 -34.450 0.019 -4.507 1.00 0.00 C ATOM 70 CG GLU A 6 -35.346 -0.484 -5.626 1.00 0.00 C ATOM 71 CD GLU A 6 -36.739 0.111 -5.572 1.00 0.00 C ATOM 72 OE1 GLU A 6 -36.952 1.182 -6.178 1.00 0.00 O ATOM 73 OE2 GLU A 6 -37.618 -0.494 -4.923 1.00 0.00 O ATOM 0 H GLU A 6 -33.756 -2.379 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 6 -32.567 -0.351 -5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -34.921 -0.200 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -34.366 1.103 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -34.890 -0.244 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -35.417 -1.570 -5.569 1.00 0.00 H new ATOM 80 N ARG A 7 -31.630 -0.875 -2.573 1.00 0.00 N ATOM 81 CA ARG A 7 -30.797 -0.436 -1.452 1.00 0.00 C ATOM 82 C ARG A 7 -29.330 -0.776 -1.697 1.00 0.00 C ATOM 83 O ARG A 7 -29.008 -1.852 -2.198 1.00 0.00 O ATOM 84 CB ARG A 7 -31.268 -1.077 -0.141 1.00 0.00 C ATOM 85 CG ARG A 7 -32.728 -0.802 0.178 1.00 0.00 C ATOM 86 CD ARG A 7 -33.195 -1.595 1.387 1.00 0.00 C ATOM 87 NE ARG A 7 -32.348 -1.372 2.554 1.00 0.00 N ATOM 88 CZ ARG A 7 -32.484 -2.032 3.701 1.00 0.00 C ATOM 89 NH1 ARG A 7 -33.433 -2.951 3.831 1.00 0.00 N ATOM 90 NH2 ARG A 7 -31.671 -1.777 4.715 1.00 0.00 N ATOM 0 H ARG A 7 -31.722 -1.887 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.895 0.646 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.113 -2.155 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.650 -0.708 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -32.866 0.263 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.344 -1.056 -0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.221 -1.317 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -33.201 -2.657 1.142 1.00 0.00 H new ATOM 0 HE ARG A 7 -31.610 -0.671 2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.059 -3.152 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.536 -3.456 4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -30.939 -1.073 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -31.777 -2.284 5.594 1.00 0.00 H new ATOM 104 N GLN A 8 -28.444 0.150 -1.341 1.00 0.00 N ATOM 105 CA GLN A 8 -27.011 -0.052 -1.527 1.00 0.00 C ATOM 106 C GLN A 8 -26.228 0.414 -0.303 1.00 0.00 C ATOM 107 O GLN A 8 -26.356 1.560 0.127 1.00 0.00 O ATOM 108 CB GLN A 8 -26.525 0.696 -2.769 1.00 0.00 C ATOM 109 CG GLN A 8 -27.198 0.243 -4.055 1.00 0.00 C ATOM 110 CD GLN A 8 -26.685 0.981 -5.277 1.00 0.00 C ATOM 111 OE1 GLN A 8 -27.419 1.189 -6.243 1.00 0.00 O ATOM 112 NE2 GLN A 8 -25.417 1.376 -5.243 1.00 0.00 N ATOM 0 H GLN A 8 -28.693 1.046 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 8 -26.838 -1.120 -1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -26.702 1.763 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -25.448 0.561 -2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.036 -0.827 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -28.274 0.394 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -24.844 1.182 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -25.016 1.873 -6.038 1.00 0.00 H new ATOM 121 N VAL A 9 -25.419 -0.482 0.253 1.00 0.00 N ATOM 122 CA VAL A 9 -24.611 -0.159 1.424 1.00 0.00 C ATOM 123 C VAL A 9 -23.250 0.400 1.004 1.00 0.00 C ATOM 124 O VAL A 9 -22.410 -0.334 0.481 1.00 0.00 O ATOM 125 CB VAL A 9 -24.393 -1.399 2.317 1.00 0.00 C ATOM 126 CG1 VAL A 9 -23.660 -1.026 3.599 1.00 0.00 C ATOM 127 CG2 VAL A 9 -25.721 -2.070 2.631 1.00 0.00 C ATOM 0 H VAL A 9 -25.305 -1.437 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.156 0.594 1.993 1.00 0.00 H new ATOM 0 HB VAL A 9 -23.771 -2.107 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.519 -1.917 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.688 -0.599 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.247 -0.295 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.548 -2.942 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.369 -1.367 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.199 -2.382 1.703 1.00 0.00 H new ATOM 137 N PRO A 10 -23.011 1.707 1.228 1.00 0.00 N ATOM 138 CA PRO A 10 -21.743 2.348 0.858 1.00 0.00 C ATOM 139 C PRO A 10 -20.568 1.841 1.685 1.00 0.00 C ATOM 140 O PRO A 10 -20.663 1.708 2.904 1.00 0.00 O ATOM 141 CB PRO A 10 -21.993 3.831 1.142 1.00 0.00 C ATOM 142 CG PRO A 10 -23.078 3.847 2.161 1.00 0.00 C ATOM 143 CD PRO A 10 -23.946 2.660 1.856 1.00 0.00 C ATOM 0 HA PRO A 10 -21.473 2.137 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.093 4.319 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.292 4.362 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -22.668 3.783 3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.650 4.773 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.394 2.247 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.764 2.922 1.185 1.00 0.00 H new ATOM 151 N TYR A 11 -19.458 1.562 1.009 1.00 0.00 N ATOM 152 CA TYR A 11 -18.256 1.075 1.675 1.00 0.00 C ATOM 153 C TYR A 11 -17.038 1.894 1.259 1.00 0.00 C ATOM 154 O TYR A 11 -16.582 1.812 0.118 1.00 0.00 O ATOM 155 CB TYR A 11 -18.025 -0.407 1.350 1.00 0.00 C ATOM 156 CG TYR A 11 -16.654 -0.911 1.750 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.330 -1.125 3.085 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.680 -1.168 0.790 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.075 -1.578 3.452 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.424 -1.623 1.150 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.129 -1.825 2.483 1.00 0.00 C ATOM 162 OH TYR A 11 -12.881 -2.276 2.846 1.00 0.00 O ATOM 0 H TYR A 11 -19.366 1.665 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.398 1.183 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.784 -1.004 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.161 -0.561 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.070 -0.935 3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.908 -1.010 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.839 -1.737 4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.679 -1.819 0.393 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.266 -2.181 2.089 1.00 0.00 H new ATOM 172 N THR A 12 -16.519 2.684 2.192 1.00 0.00 N ATOM 173 CA THR A 12 -15.351 3.513 1.928 1.00 0.00 C ATOM 174 C THR A 12 -14.133 3.004 2.691 1.00 0.00 C ATOM 175 O THR A 12 -14.155 2.932 3.920 1.00 0.00 O ATOM 176 CB THR A 12 -15.593 4.982 2.325 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.486 5.605 1.395 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.277 5.752 2.374 1.00 0.00 C ATOM 0 H THR A 12 -16.890 2.767 3.139 1.00 0.00 H new ATOM 0 HA THR A 12 -15.168 3.455 0.855 1.00 0.00 H new ATOM 0 HB THR A 12 -16.042 4.997 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.634 6.537 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.471 6.787 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.614 5.294 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.804 5.726 1.392 1.00 0.00 H new ATOM 186 N PRO A 13 -13.050 2.643 1.982 1.00 0.00 N ATOM 187 CA PRO A 13 -11.836 2.172 2.605 1.00 0.00 C ATOM 188 C PRO A 13 -10.817 3.293 2.759 1.00 0.00 C ATOM 189 O PRO A 13 -10.228 3.752 1.781 1.00 0.00 O ATOM 190 CB PRO A 13 -11.348 1.125 1.608 1.00 0.00 C ATOM 191 CG PRO A 13 -11.881 1.560 0.273 1.00 0.00 C ATOM 192 CD PRO A 13 -12.915 2.636 0.524 1.00 0.00 C ATOM 0 HA PRO A 13 -11.988 1.786 3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.259 1.072 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.713 0.132 1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.076 1.941 -0.355 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.326 0.717 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.587 3.604 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.861 2.406 0.034 1.00 0.00 H new ATOM 200 N CYS A 14 -10.635 3.730 4.000 1.00 0.00 N ATOM 201 CA CYS A 14 -9.685 4.793 4.329 1.00 0.00 C ATOM 202 C CYS A 14 -10.186 6.149 3.844 1.00 0.00 C ATOM 203 O CYS A 14 -10.764 6.261 2.762 1.00 0.00 O ATOM 204 CB CYS A 14 -8.310 4.507 3.721 1.00 0.00 C ATOM 205 SG CYS A 14 -7.780 2.770 3.854 1.00 0.00 S ATOM 0 H CYS A 14 -11.139 3.360 4.806 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.593 4.821 5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.325 4.791 2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.570 5.139 4.211 1.00 0.00 H new ATOM 210 N SER A 15 -9.958 7.176 4.656 1.00 0.00 N ATOM 211 CA SER A 15 -10.376 8.532 4.321 1.00 0.00 C ATOM 212 C SER A 15 -9.738 9.540 5.271 1.00 0.00 C ATOM 213 O SER A 15 -9.619 9.287 6.470 1.00 0.00 O ATOM 214 CB SER A 15 -11.900 8.652 4.376 1.00 0.00 C ATOM 215 OG SER A 15 -12.393 8.333 5.666 1.00 0.00 O ATOM 0 H SER A 15 -9.484 7.094 5.555 1.00 0.00 H new ATOM 0 HA SER A 15 -10.043 8.750 3.306 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.197 9.667 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.347 7.986 3.638 1.00 0.00 H new ATOM 0 HG SER A 15 -13.369 8.419 5.674 1.00 0.00 H new ATOM 221 N GLY A 16 -9.330 10.682 4.728 1.00 0.00 N ATOM 222 CA GLY A 16 -8.708 11.709 5.543 1.00 0.00 C ATOM 223 C GLY A 16 -7.198 11.567 5.607 1.00 0.00 C ATOM 224 O GLY A 16 -6.469 12.505 5.284 1.00 0.00 O ATOM 0 H GLY A 16 -9.419 10.915 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.960 12.690 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.117 11.664 6.552 1.00 0.00 H new ATOM 228 N LEU A 17 -6.730 10.394 6.023 1.00 0.00 N ATOM 229 CA LEU A 17 -5.297 10.140 6.128 1.00 0.00 C ATOM 230 C LEU A 17 -4.680 9.914 4.750 1.00 0.00 C ATOM 231 O LEU A 17 -3.681 10.543 4.400 1.00 0.00 O ATOM 232 CB LEU A 17 -5.036 8.925 7.025 1.00 0.00 C ATOM 233 CG LEU A 17 -5.565 9.045 8.457 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.436 7.715 9.183 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.823 10.137 9.216 1.00 0.00 C ATOM 0 H LEU A 17 -7.320 9.607 6.292 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.830 11.018 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.486 8.048 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.961 8.748 7.066 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.620 9.316 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.816 7.817 10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.012 6.955 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.388 7.419 9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.215 10.205 10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.760 9.897 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.962 11.092 8.709 1.00 0.00 H new ATOM 247 N TYR A 18 -5.279 9.017 3.970 1.00 0.00 N ATOM 248 CA TYR A 18 -4.782 8.725 2.628 1.00 0.00 C ATOM 249 C TYR A 18 -5.919 8.785 1.615 1.00 0.00 C ATOM 250 O TYR A 18 -5.763 9.309 0.512 1.00 0.00 O ATOM 251 CB TYR A 18 -4.110 7.345 2.595 1.00 0.00 C ATOM 252 CG TYR A 18 -3.159 7.106 3.750 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.074 7.946 3.975 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.353 6.041 4.620 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.214 7.731 5.037 1.00 0.00 C ATOM 256 CE2 TYR A 18 -2.498 5.819 5.681 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.431 6.667 5.886 1.00 0.00 C ATOM 258 OH TYR A 18 -0.578 6.449 6.942 1.00 0.00 O ATOM 0 H TYR A 18 -6.104 8.483 4.242 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.041 9.479 2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.881 6.574 2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.564 7.238 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.900 8.779 3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.188 5.374 4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.377 8.393 5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.664 4.985 6.347 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.208 7.304 7.246 1.00 0.00 H new ATOM 268 N GLY A 19 -7.063 8.241 2.011 1.00 0.00 N ATOM 269 CA GLY A 19 -8.244 8.252 1.163 1.00 0.00 C ATOM 270 C GLY A 19 -8.051 7.566 -0.179 1.00 0.00 C ATOM 271 O GLY A 19 -8.855 7.763 -1.091 1.00 0.00 O ATOM 0 H GLY A 19 -7.196 7.787 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.063 7.766 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.545 9.285 0.991 1.00 0.00 H new ATOM 275 N THR A 20 -6.999 6.761 -0.314 1.00 0.00 N ATOM 276 CA THR A 20 -6.746 6.071 -1.575 1.00 0.00 C ATOM 277 C THR A 20 -6.498 4.580 -1.370 1.00 0.00 C ATOM 278 O THR A 20 -5.450 4.177 -0.866 1.00 0.00 O ATOM 279 CB THR A 20 -5.544 6.684 -2.321 1.00 0.00 C ATOM 280 OG1 THR A 20 -5.778 8.077 -2.561 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.306 5.971 -3.645 1.00 0.00 C ATOM 0 H THR A 20 -6.318 6.573 0.422 1.00 0.00 H new ATOM 0 HA THR A 20 -7.646 6.196 -2.177 1.00 0.00 H new ATOM 0 HB THR A 20 -4.658 6.564 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.923 8.531 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.453 6.421 -4.153 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.102 4.917 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.192 6.064 -4.273 1.00 0.00 H new ATOM 289 N ALA A 21 -7.473 3.767 -1.769 1.00 0.00 N ATOM 290 CA ALA A 21 -7.359 2.313 -1.646 1.00 0.00 C ATOM 291 C ALA A 21 -6.576 1.735 -2.826 1.00 0.00 C ATOM 292 O ALA A 21 -6.686 2.234 -3.946 1.00 0.00 O ATOM 293 CB ALA A 21 -8.744 1.685 -1.564 1.00 0.00 C ATOM 0 H ALA A 21 -8.350 4.088 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.816 2.081 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.648 0.603 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.270 2.077 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.306 1.925 -2.467 1.00 0.00 H new ATOM 299 N GLN A 22 -5.792 0.678 -2.578 1.00 0.00 N ATOM 300 CA GLN A 22 -4.994 0.059 -3.637 1.00 0.00 C ATOM 301 C GLN A 22 -4.220 -1.146 -3.105 1.00 0.00 C ATOM 302 O GLN A 22 -4.209 -1.404 -1.904 1.00 0.00 O ATOM 303 CB GLN A 22 -4.026 1.083 -4.258 1.00 0.00 C ATOM 304 CG GLN A 22 -3.240 1.899 -3.240 1.00 0.00 C ATOM 305 CD GLN A 22 -2.204 2.801 -3.884 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.861 3.852 -3.344 1.00 0.00 O ATOM 307 NE2 GLN A 22 -1.704 2.401 -5.047 1.00 0.00 N ATOM 0 H GLN A 22 -5.695 0.239 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.678 -0.288 -4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.324 0.556 -4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.594 1.764 -4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.931 2.506 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.744 1.223 -2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.015 1.522 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.008 2.972 -5.527 1.00 0.00 H new ATOM 316 N CYS A 23 -3.571 -1.877 -4.009 1.00 0.00 N ATOM 317 CA CYS A 23 -2.805 -3.062 -3.632 1.00 0.00 C ATOM 318 C CYS A 23 -1.313 -2.748 -3.584 1.00 0.00 C ATOM 319 O CYS A 23 -0.732 -2.321 -4.581 1.00 0.00 O ATOM 320 CB CYS A 23 -3.065 -4.193 -4.628 1.00 0.00 C ATOM 321 SG CYS A 23 -4.829 -4.497 -4.964 1.00 0.00 S ATOM 0 H CYS A 23 -3.561 -1.669 -5.008 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.126 -3.376 -2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.563 -3.959 -5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.616 -5.110 -4.246 1.00 0.00 H new ATOM 326 N CYS A 24 -0.693 -2.968 -2.423 1.00 0.00 N ATOM 327 CA CYS A 24 0.736 -2.689 -2.259 1.00 0.00 C ATOM 328 C CYS A 24 1.560 -3.966 -2.376 1.00 0.00 C ATOM 329 O CYS A 24 1.462 -4.862 -1.538 1.00 0.00 O ATOM 330 CB CYS A 24 1.013 -2.013 -0.909 1.00 0.00 C ATOM 331 SG CYS A 24 0.307 -0.340 -0.737 1.00 0.00 S ATOM 0 H CYS A 24 -1.152 -3.335 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 24 1.030 -2.009 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.616 -2.644 -0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.091 -1.955 -0.761 1.00 0.00 H new ATOM 336 N ALA A 25 2.372 -4.037 -3.425 1.00 0.00 N ATOM 337 CA ALA A 25 3.223 -5.194 -3.661 1.00 0.00 C ATOM 338 C ALA A 25 4.543 -5.055 -2.913 1.00 0.00 C ATOM 339 O ALA A 25 5.448 -4.348 -3.358 1.00 0.00 O ATOM 340 CB ALA A 25 3.472 -5.376 -5.151 1.00 0.00 C ATOM 0 H ALA A 25 2.458 -3.303 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 25 2.709 -6.079 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.110 -6.245 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.521 -5.525 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.963 -4.488 -5.549 1.00 0.00 H new ATOM 346 N THR A 26 4.648 -5.733 -1.776 1.00 0.00 N ATOM 347 CA THR A 26 5.856 -5.676 -0.961 1.00 0.00 C ATOM 348 C THR A 26 7.035 -6.323 -1.675 1.00 0.00 C ATOM 349 O THR A 26 6.860 -7.089 -2.623 1.00 0.00 O ATOM 350 CB THR A 26 5.662 -6.374 0.398 1.00 0.00 C ATOM 351 OG1 THR A 26 5.454 -7.778 0.202 1.00 0.00 O ATOM 352 CG2 THR A 26 4.480 -5.785 1.155 1.00 0.00 C ATOM 0 H THR A 26 3.911 -6.329 -1.397 1.00 0.00 H new ATOM 0 HA THR A 26 6.063 -4.619 -0.794 1.00 0.00 H new ATOM 0 HB THR A 26 6.564 -6.216 0.989 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.333 -8.215 1.071 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.368 -6.298 2.110 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.653 -4.723 1.331 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.571 -5.912 0.566 1.00 0.00 H new ATOM 360 N ASP A 27 8.238 -6.006 -1.210 1.00 0.00 N ATOM 361 CA ASP A 27 9.455 -6.555 -1.790 1.00 0.00 C ATOM 362 C ASP A 27 9.793 -7.905 -1.163 1.00 0.00 C ATOM 363 O ASP A 27 9.286 -8.246 -0.093 1.00 0.00 O ATOM 364 CB ASP A 27 10.614 -5.579 -1.591 1.00 0.00 C ATOM 365 CG ASP A 27 10.677 -4.522 -2.677 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.280 -4.795 -3.736 1.00 0.00 O ATOM 367 OD2 ASP A 27 10.124 -3.423 -2.469 1.00 0.00 O ATOM 0 H ASP A 27 8.395 -5.369 -0.429 1.00 0.00 H new ATOM 0 HA ASP A 27 9.292 -6.704 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.513 -5.093 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.552 -6.133 -1.573 1.00 0.00 H new ATOM 372 N VAL A 28 10.654 -8.665 -1.833 1.00 0.00 N ATOM 373 CA VAL A 28 11.055 -9.981 -1.347 1.00 0.00 C ATOM 374 C VAL A 28 12.382 -9.914 -0.593 1.00 0.00 C ATOM 375 O VAL A 28 12.574 -10.609 0.405 1.00 0.00 O ATOM 376 CB VAL A 28 11.173 -10.995 -2.499 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.179 -10.515 -3.526 1.00 0.00 C ATOM 378 CG2 VAL A 28 11.553 -12.370 -1.971 1.00 0.00 C ATOM 0 H VAL A 28 11.088 -8.392 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 28 10.275 -10.315 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 28 10.201 -11.078 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.250 -11.244 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.857 -9.555 -3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.155 -10.400 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.631 -13.070 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.512 -12.310 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.789 -12.716 -1.275 1.00 0.00 H new ATOM 388 N LEU A 29 13.293 -9.078 -1.079 1.00 0.00 N ATOM 389 CA LEU A 29 14.599 -8.918 -0.450 1.00 0.00 C ATOM 390 C LEU A 29 14.874 -7.447 -0.172 1.00 0.00 C ATOM 391 O LEU A 29 15.381 -7.089 0.891 1.00 0.00 O ATOM 392 CB LEU A 29 15.696 -9.505 -1.341 1.00 0.00 C ATOM 393 CG LEU A 29 17.116 -9.411 -0.779 1.00 0.00 C ATOM 394 CD1 LEU A 29 17.290 -10.337 0.416 1.00 0.00 C ATOM 395 CD2 LEU A 29 18.134 -9.734 -1.857 1.00 0.00 C ATOM 0 H LEU A 29 13.151 -8.500 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 29 14.597 -9.457 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.466 -10.554 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.670 -8.996 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 29 17.282 -8.388 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.308 -10.252 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.585 -10.057 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.103 -11.366 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.139 -9.663 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.965 -10.746 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.030 -9.026 -2.679 1.00 0.00 H new ATOM 407 N GLY A 30 14.540 -6.598 -1.138 1.00 0.00 N ATOM 408 CA GLY A 30 14.734 -5.172 -0.968 1.00 0.00 C ATOM 409 C GLY A 30 13.618 -4.562 -0.147 1.00 0.00 C ATOM 410 O GLY A 30 13.202 -3.428 -0.389 1.00 0.00 O ATOM 0 H GLY A 30 14.139 -6.873 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.691 -4.988 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.777 -4.689 -1.944 1.00 0.00 H new ATOM 414 N VAL A 31 13.131 -5.332 0.824 1.00 0.00 N ATOM 415 CA VAL A 31 12.049 -4.896 1.693 1.00 0.00 C ATOM 416 C VAL A 31 12.316 -3.512 2.270 1.00 0.00 C ATOM 417 O VAL A 31 13.316 -3.287 2.955 1.00 0.00 O ATOM 418 CB VAL A 31 11.813 -5.908 2.834 1.00 0.00 C ATOM 419 CG1 VAL A 31 11.127 -5.251 4.025 1.00 0.00 C ATOM 420 CG2 VAL A 31 10.989 -7.079 2.327 1.00 0.00 C ATOM 0 H VAL A 31 13.476 -6.270 1.027 1.00 0.00 H new ATOM 0 HA VAL A 31 11.149 -4.841 1.081 1.00 0.00 H new ATOM 0 HB VAL A 31 12.783 -6.273 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.975 -5.991 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.751 -4.442 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.163 -4.850 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.827 -7.788 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.027 -6.717 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.521 -7.573 1.514 1.00 0.00 H new ATOM 430 N ALA A 32 11.398 -2.598 1.985 1.00 0.00 N ATOM 431 CA ALA A 32 11.490 -1.218 2.447 1.00 0.00 C ATOM 432 C ALA A 32 10.291 -0.417 1.953 1.00 0.00 C ATOM 433 O ALA A 32 9.693 0.358 2.699 1.00 0.00 O ATOM 434 CB ALA A 32 12.784 -0.577 1.962 1.00 0.00 C ATOM 0 H ALA A 32 10.567 -2.792 1.426 1.00 0.00 H new ATOM 0 HA ALA A 32 11.490 -1.218 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.835 0.453 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.635 -1.137 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.809 -0.587 0.872 1.00 0.00 H new ATOM 440 N ASP A 33 9.949 -0.618 0.684 1.00 0.00 N ATOM 441 CA ASP A 33 8.820 0.069 0.067 1.00 0.00 C ATOM 442 C ASP A 33 7.938 -0.933 -0.676 1.00 0.00 C ATOM 443 O ASP A 33 8.415 -1.985 -1.098 1.00 0.00 O ATOM 444 CB ASP A 33 9.326 1.140 -0.903 1.00 0.00 C ATOM 445 CG ASP A 33 10.193 2.179 -0.216 1.00 0.00 C ATOM 446 OD1 ASP A 33 9.638 3.184 0.272 1.00 0.00 O ATOM 447 OD2 ASP A 33 11.426 1.985 -0.169 1.00 0.00 O ATOM 0 H ASP A 33 10.442 -1.256 0.059 1.00 0.00 H new ATOM 0 HA ASP A 33 8.229 0.548 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.897 0.664 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.475 1.633 -1.372 1.00 0.00 H new ATOM 452 N LEU A 34 6.653 -0.614 -0.838 1.00 0.00 N ATOM 453 CA LEU A 34 5.745 -1.515 -1.544 1.00 0.00 C ATOM 454 C LEU A 34 5.151 -0.827 -2.763 1.00 0.00 C ATOM 455 O LEU A 34 4.555 0.244 -2.654 1.00 0.00 O ATOM 456 CB LEU A 34 4.600 -2.021 -0.648 1.00 0.00 C ATOM 457 CG LEU A 34 4.764 -1.826 0.860 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.496 -2.264 1.591 1.00 0.00 C ATOM 459 CD2 LEU A 34 5.963 -2.617 1.361 1.00 0.00 C ATOM 0 H LEU A 34 6.224 0.246 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 34 6.341 -2.375 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.682 -1.522 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.464 -3.085 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 34 4.933 -0.768 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.626 -2.120 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.652 -1.668 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.304 -3.317 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.071 -2.472 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.814 -3.676 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.864 -2.271 0.855 1.00 0.00 H new ATOM 471 N ASP A 35 5.316 -1.448 -3.923 1.00 0.00 N ATOM 472 CA ASP A 35 4.784 -0.899 -5.159 1.00 0.00 C ATOM 473 C ASP A 35 3.265 -0.973 -5.151 1.00 0.00 C ATOM 474 O ASP A 35 2.682 -2.012 -5.459 1.00 0.00 O ATOM 475 CB ASP A 35 5.343 -1.669 -6.358 1.00 0.00 C ATOM 476 CG ASP A 35 6.857 -1.614 -6.426 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.512 -2.372 -5.681 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.387 -0.814 -7.226 1.00 0.00 O ATOM 0 H ASP A 35 5.814 -2.332 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 35 5.085 0.146 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.022 -2.709 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.926 -1.258 -7.277 1.00 0.00 H new ATOM 483 N CYS A 36 2.628 0.142 -4.806 1.00 0.00 N ATOM 484 CA CYS A 36 1.175 0.195 -4.744 1.00 0.00 C ATOM 485 C CYS A 36 0.586 0.882 -5.969 1.00 0.00 C ATOM 486 O CYS A 36 0.952 2.009 -6.303 1.00 0.00 O ATOM 487 CB CYS A 36 0.729 0.918 -3.473 1.00 0.00 C ATOM 488 SG CYS A 36 -0.560 0.038 -2.534 1.00 0.00 S ATOM 0 H CYS A 36 3.095 1.017 -4.566 1.00 0.00 H new ATOM 0 HA CYS A 36 0.805 -0.830 -4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.596 1.067 -2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.357 1.907 -3.741 1.00 0.00 H new ATOM 493 N ALA A 37 -0.334 0.190 -6.633 1.00 0.00 N ATOM 494 CA ALA A 37 -0.992 0.723 -7.818 1.00 0.00 C ATOM 495 C ALA A 37 -2.486 0.898 -7.563 1.00 0.00 C ATOM 496 O ALA A 37 -3.146 -0.004 -7.048 1.00 0.00 O ATOM 497 CB ALA A 37 -0.749 -0.189 -9.010 1.00 0.00 C ATOM 0 H ALA A 37 -0.641 -0.746 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.569 1.702 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.246 0.221 -9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.322 -0.262 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.148 -1.181 -8.797 1.00 0.00 H new ATOM 503 N ASN A 38 -3.015 2.061 -7.933 1.00 0.00 N ATOM 504 CA ASN A 38 -4.431 2.360 -7.721 1.00 0.00 C ATOM 505 C ASN A 38 -5.305 1.634 -8.747 1.00 0.00 C ATOM 506 O ASN A 38 -5.191 1.876 -9.948 1.00 0.00 O ATOM 507 CB ASN A 38 -4.676 3.875 -7.795 1.00 0.00 C ATOM 508 CG ASN A 38 -6.047 4.290 -7.282 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.200 5.366 -6.703 1.00 0.00 O ATOM 510 ND2 ASN A 38 -7.054 3.450 -7.495 1.00 0.00 N ATOM 0 H ASN A 38 -2.488 2.811 -8.380 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.705 2.006 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.909 4.389 -7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.568 4.203 -8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.993 3.688 -7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.888 2.567 -7.979 1.00 0.00 H new ATOM 517 N PRO A 39 -6.193 0.729 -8.281 1.00 0.00 N ATOM 518 CA PRO A 39 -7.094 -0.015 -9.154 1.00 0.00 C ATOM 519 C PRO A 39 -8.398 0.736 -9.425 1.00 0.00 C ATOM 520 O PRO A 39 -9.249 0.843 -8.543 1.00 0.00 O ATOM 521 CB PRO A 39 -7.372 -1.285 -8.352 1.00 0.00 C ATOM 522 CG PRO A 39 -7.251 -0.881 -6.919 1.00 0.00 C ATOM 523 CD PRO A 39 -6.375 0.349 -6.869 1.00 0.00 C ATOM 0 HA PRO A 39 -6.660 -0.192 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.366 -1.677 -8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.659 -2.071 -8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.233 -0.670 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.815 -1.687 -6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.847 1.150 -6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.420 0.137 -6.389 1.00 0.00 H new ATOM 531 N PRO A 40 -8.575 1.270 -10.650 1.00 0.00 N ATOM 532 CA PRO A 40 -9.790 2.008 -11.012 1.00 0.00 C ATOM 533 C PRO A 40 -10.993 1.089 -11.188 1.00 0.00 C ATOM 534 O PRO A 40 -11.076 0.340 -12.162 1.00 0.00 O ATOM 535 CB PRO A 40 -9.420 2.664 -12.342 1.00 0.00 C ATOM 536 CG PRO A 40 -8.388 1.767 -12.931 1.00 0.00 C ATOM 537 CD PRO A 40 -7.616 1.201 -11.770 1.00 0.00 C ATOM 0 HA PRO A 40 -10.084 2.717 -10.238 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.288 2.752 -12.995 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.031 3.671 -12.192 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.851 0.972 -13.516 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.731 2.318 -13.604 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.297 0.177 -11.962 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.717 1.782 -11.565 1.00 0.00 H new ATOM 545 N ALA A 41 -11.928 1.164 -10.243 1.00 0.00 N ATOM 546 CA ALA A 41 -13.135 0.342 -10.276 1.00 0.00 C ATOM 547 C ALA A 41 -14.008 0.616 -9.057 1.00 0.00 C ATOM 548 O ALA A 41 -13.584 1.293 -8.119 1.00 0.00 O ATOM 549 CB ALA A 41 -12.772 -1.136 -10.338 1.00 0.00 C ATOM 0 H ALA A 41 -11.871 1.790 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.699 0.603 -11.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.683 -1.734 -10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.187 -1.330 -11.237 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.185 -1.404 -9.459 1.00 0.00 H new ATOM 555 N THR A 42 -15.226 0.087 -9.074 1.00 0.00 N ATOM 556 CA THR A 42 -16.153 0.274 -7.965 1.00 0.00 C ATOM 557 C THR A 42 -16.057 -0.874 -6.964 1.00 0.00 C ATOM 558 O THR A 42 -16.745 -1.887 -7.094 1.00 0.00 O ATOM 559 CB THR A 42 -17.607 0.406 -8.461 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.513 0.307 -7.356 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.936 -0.662 -9.495 1.00 0.00 C ATOM 0 H THR A 42 -15.594 -0.474 -9.842 1.00 0.00 H new ATOM 0 HA THR A 42 -15.868 1.201 -7.467 1.00 0.00 H new ATOM 0 HB THR A 42 -17.715 1.383 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.434 0.393 -7.679 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.968 -0.543 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.267 -0.559 -10.349 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.809 -1.649 -9.051 1.00 0.00 H new ATOM 569 N LEU A 43 -15.193 -0.706 -5.966 1.00 0.00 N ATOM 570 CA LEU A 43 -14.999 -1.723 -4.939 1.00 0.00 C ATOM 571 C LEU A 43 -16.321 -2.030 -4.236 1.00 0.00 C ATOM 572 O LEU A 43 -16.769 -1.274 -3.375 1.00 0.00 O ATOM 573 CB LEU A 43 -13.956 -1.248 -3.916 1.00 0.00 C ATOM 574 CG LEU A 43 -12.739 -0.527 -4.510 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.934 0.152 -3.412 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.861 -1.500 -5.285 1.00 0.00 C ATOM 0 H LEU A 43 -14.616 0.127 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.638 -2.634 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.444 -0.579 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.606 -2.111 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.099 0.236 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.075 0.658 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.561 0.881 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.589 -0.596 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.004 -0.967 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.512 -2.287 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.438 -1.943 -6.097 1.00 0.00 H new ATOM 588 N ALA A 44 -16.937 -3.147 -4.620 1.00 0.00 N ATOM 589 CA ALA A 44 -18.214 -3.567 -4.046 1.00 0.00 C ATOM 590 C ALA A 44 -18.160 -3.610 -2.522 1.00 0.00 C ATOM 591 O ALA A 44 -19.076 -3.140 -1.847 1.00 0.00 O ATOM 592 CB ALA A 44 -18.610 -4.928 -4.599 1.00 0.00 C ATOM 0 H ALA A 44 -16.570 -3.780 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.966 -2.830 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.563 -5.233 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.707 -4.866 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.844 -5.661 -4.345 1.00 0.00 H new ATOM 598 N ASN A 45 -17.088 -4.182 -1.987 1.00 0.00 N ATOM 599 CA ASN A 45 -16.912 -4.280 -0.542 1.00 0.00 C ATOM 600 C ASN A 45 -15.452 -4.548 -0.195 1.00 0.00 C ATOM 601 O ASN A 45 -14.570 -4.402 -1.041 1.00 0.00 O ATOM 602 CB ASN A 45 -17.822 -5.371 0.044 1.00 0.00 C ATOM 603 CG ASN A 45 -17.788 -6.667 -0.745 1.00 0.00 C ATOM 604 OD1 ASN A 45 -18.816 -7.318 -0.931 1.00 0.00 O ATOM 605 ND2 ASN A 45 -16.605 -7.061 -1.199 1.00 0.00 N ATOM 0 H ASN A 45 -16.326 -4.586 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.197 -3.326 -0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.522 -5.572 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.847 -5.001 0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.524 -7.932 -1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.776 -6.493 -1.024 1.00 0.00 H new ATOM 612 N ALA A 46 -15.199 -4.939 1.049 1.00 0.00 N ATOM 613 CA ALA A 46 -13.839 -5.209 1.495 1.00 0.00 C ATOM 614 C ALA A 46 -13.292 -6.493 0.888 1.00 0.00 C ATOM 615 O ALA A 46 -12.237 -6.486 0.263 1.00 0.00 O ATOM 616 CB ALA A 46 -13.789 -5.273 3.013 1.00 0.00 C ATOM 0 H ALA A 46 -15.915 -5.075 1.763 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.206 -4.390 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.768 -5.475 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.119 -4.321 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.445 -6.069 3.365 1.00 0.00 H new ATOM 622 N THR A 47 -14.013 -7.591 1.075 1.00 0.00 N ATOM 623 CA THR A 47 -13.590 -8.882 0.544 1.00 0.00 C ATOM 624 C THR A 47 -13.342 -8.812 -0.962 1.00 0.00 C ATOM 625 O THR A 47 -12.653 -9.661 -1.528 1.00 0.00 O ATOM 626 CB THR A 47 -14.635 -9.976 0.833 1.00 0.00 C ATOM 627 OG1 THR A 47 -14.921 -10.023 2.236 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.141 -11.340 0.368 1.00 0.00 C ATOM 0 H THR A 47 -14.893 -7.614 1.590 1.00 0.00 H new ATOM 0 HA THR A 47 -12.657 -9.137 1.046 1.00 0.00 H new ATOM 0 HB THR A 47 -15.543 -9.730 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.587 -10.720 2.411 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.898 -12.094 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.952 -11.312 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.219 -11.591 0.892 1.00 0.00 H new ATOM 636 N HIS A 48 -13.895 -7.789 -1.607 1.00 0.00 N ATOM 637 CA HIS A 48 -13.742 -7.629 -3.048 1.00 0.00 C ATOM 638 C HIS A 48 -12.349 -7.131 -3.412 1.00 0.00 C ATOM 639 O HIS A 48 -11.651 -7.769 -4.200 1.00 0.00 O ATOM 640 CB HIS A 48 -14.803 -6.677 -3.601 1.00 0.00 C ATOM 641 CG HIS A 48 -14.750 -6.519 -5.091 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.544 -7.247 -5.951 1.00 0.00 N ATOM 643 CD2 HIS A 48 -13.996 -5.709 -5.874 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.280 -6.895 -7.197 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.345 -5.963 -7.177 1.00 0.00 N ATOM 0 H HIS A 48 -14.451 -7.062 -1.156 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.877 -8.611 -3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.790 -7.042 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.680 -5.699 -3.136 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.258 -4.997 -5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.749 -7.301 -8.081 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.947 -5.506 -7.997 1.00 0.00 H new ATOM 654 N PHE A 49 -11.937 -5.997 -2.850 1.00 0.00 N ATOM 655 CA PHE A 49 -10.617 -5.468 -3.161 1.00 0.00 C ATOM 656 C PHE A 49 -9.562 -6.178 -2.327 1.00 0.00 C ATOM 657 O PHE A 49 -8.369 -6.110 -2.622 1.00 0.00 O ATOM 658 CB PHE A 49 -10.560 -3.937 -3.042 1.00 0.00 C ATOM 659 CG PHE A 49 -10.395 -3.364 -1.666 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.194 -3.771 -0.614 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.452 -2.375 -1.446 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.046 -3.206 0.638 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.305 -1.802 -0.202 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.100 -2.217 0.842 1.00 0.00 C ATOM 0 H PHE A 49 -12.484 -5.440 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.397 -5.675 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.734 -3.580 -3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.476 -3.530 -3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.939 -4.536 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.823 -2.048 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.668 -3.536 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.567 -1.029 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.986 -1.771 1.819 1.00 0.00 H new ATOM 674 N GLU A 50 -10.011 -6.854 -1.272 1.00 0.00 N ATOM 675 CA GLU A 50 -9.108 -7.625 -0.430 1.00 0.00 C ATOM 676 C GLU A 50 -8.581 -8.814 -1.222 1.00 0.00 C ATOM 677 O GLU A 50 -7.419 -9.200 -1.090 1.00 0.00 O ATOM 678 CB GLU A 50 -9.821 -8.125 0.830 1.00 0.00 C ATOM 679 CG GLU A 50 -9.653 -7.217 2.039 1.00 0.00 C ATOM 680 CD GLU A 50 -10.279 -7.796 3.293 1.00 0.00 C ATOM 681 OE1 GLU A 50 -11.473 -7.523 3.541 1.00 0.00 O ATOM 682 OE2 GLU A 50 -9.576 -8.521 4.027 1.00 0.00 O ATOM 0 H GLU A 50 -10.989 -6.882 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.284 -6.981 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.884 -8.233 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.444 -9.117 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.591 -7.043 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.104 -6.248 1.826 1.00 0.00 H new ATOM 689 N SER A 51 -9.452 -9.389 -2.055 1.00 0.00 N ATOM 690 CA SER A 51 -9.085 -10.531 -2.882 1.00 0.00 C ATOM 691 C SER A 51 -8.382 -10.079 -4.160 1.00 0.00 C ATOM 692 O SER A 51 -7.487 -10.764 -4.657 1.00 0.00 O ATOM 693 CB SER A 51 -10.328 -11.352 -3.231 1.00 0.00 C ATOM 694 OG SER A 51 -9.992 -12.475 -4.028 1.00 0.00 O ATOM 0 H SER A 51 -10.417 -9.079 -2.172 1.00 0.00 H new ATOM 0 HA SER A 51 -8.394 -11.153 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.816 -11.685 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.043 -10.725 -3.764 1.00 0.00 H new ATOM 0 HG SER A 51 -10.804 -12.983 -4.236 1.00 0.00 H new ATOM 700 N THR A 52 -8.788 -8.925 -4.691 1.00 0.00 N ATOM 701 CA THR A 52 -8.184 -8.397 -5.912 1.00 0.00 C ATOM 702 C THR A 52 -6.685 -8.191 -5.719 1.00 0.00 C ATOM 703 O THR A 52 -5.905 -8.290 -6.668 1.00 0.00 O ATOM 704 CB THR A 52 -8.846 -7.070 -6.358 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.769 -6.944 -7.782 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.179 -5.857 -5.714 1.00 0.00 C ATOM 0 H THR A 52 -9.527 -8.343 -4.297 1.00 0.00 H new ATOM 0 HA THR A 52 -8.350 -9.133 -6.699 1.00 0.00 H new ATOM 0 HB THR A 52 -9.887 -7.099 -6.035 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.190 -6.104 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.674 -4.947 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.259 -5.931 -4.629 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.127 -5.826 -5.999 1.00 0.00 H new ATOM 714 N CYS A 53 -6.293 -7.904 -4.481 1.00 0.00 N ATOM 715 CA CYS A 53 -4.890 -7.698 -4.147 1.00 0.00 C ATOM 716 C CYS A 53 -4.219 -9.032 -3.838 1.00 0.00 C ATOM 717 O CYS A 53 -3.134 -9.327 -4.341 1.00 0.00 O ATOM 718 CB CYS A 53 -4.760 -6.758 -2.946 1.00 0.00 C ATOM 719 SG CYS A 53 -5.555 -5.135 -3.181 1.00 0.00 S ATOM 0 H CYS A 53 -6.931 -7.809 -3.691 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.394 -7.243 -5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.196 -7.241 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.702 -6.605 -2.731 1.00 0.00 H new ATOM 724 N ALA A 54 -4.877 -9.834 -3.005 1.00 0.00 N ATOM 725 CA ALA A 54 -4.360 -11.144 -2.624 1.00 0.00 C ATOM 726 C ALA A 54 -4.209 -12.061 -3.836 1.00 0.00 C ATOM 727 O ALA A 54 -3.552 -13.099 -3.756 1.00 0.00 O ATOM 728 CB ALA A 54 -5.271 -11.785 -1.590 1.00 0.00 C ATOM 0 H ALA A 54 -5.773 -9.597 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.370 -11.000 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.876 -12.762 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.321 -11.150 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.270 -11.903 -2.009 1.00 0.00 H new ATOM 734 N ALA A 55 -4.826 -11.676 -4.952 1.00 0.00 N ATOM 735 CA ALA A 55 -4.754 -12.466 -6.178 1.00 0.00 C ATOM 736 C ALA A 55 -3.310 -12.822 -6.510 1.00 0.00 C ATOM 737 O ALA A 55 -2.989 -13.980 -6.777 1.00 0.00 O ATOM 738 CB ALA A 55 -5.388 -11.708 -7.336 1.00 0.00 C ATOM 0 H ALA A 55 -5.380 -10.823 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.308 -13.391 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.326 -12.310 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.434 -11.503 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.859 -10.768 -7.489 1.00 0.00 H new ATOM 744 N ILE A 56 -2.444 -11.814 -6.492 1.00 0.00 N ATOM 745 CA ILE A 56 -1.029 -12.018 -6.781 1.00 0.00 C ATOM 746 C ILE A 56 -0.248 -12.287 -5.498 1.00 0.00 C ATOM 747 O ILE A 56 0.934 -12.628 -5.537 1.00 0.00 O ATOM 748 CB ILE A 56 -0.419 -10.803 -7.508 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.576 -9.540 -6.656 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.076 -10.622 -8.870 1.00 0.00 C ATOM 751 CD1 ILE A 56 0.050 -8.305 -7.271 1.00 0.00 C ATOM 0 H ILE A 56 -2.697 -10.849 -6.281 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.957 -12.886 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 56 0.645 -10.981 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.637 -9.354 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.127 -9.715 -5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.637 -9.761 -9.374 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.916 -11.516 -9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.146 -10.459 -8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.102 -7.452 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.118 -8.470 -7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.415 -8.103 -8.236 1.00 0.00 H new ATOM 763 N GLY A 57 -0.922 -12.130 -4.362 1.00 0.00 N ATOM 764 CA GLY A 57 -0.287 -12.368 -3.076 1.00 0.00 C ATOM 765 C GLY A 57 -0.070 -11.094 -2.281 1.00 0.00 C ATOM 766 O GLY A 57 0.826 -11.029 -1.440 1.00 0.00 O ATOM 0 H GLY A 57 -1.899 -11.842 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.903 -13.054 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.673 -12.859 -3.236 1.00 0.00 H new ATOM 770 N GLN A 58 -0.890 -10.080 -2.546 1.00 0.00 N ATOM 771 CA GLN A 58 -0.777 -8.804 -1.842 1.00 0.00 C ATOM 772 C GLN A 58 -1.976 -8.585 -0.926 1.00 0.00 C ATOM 773 O GLN A 58 -2.685 -9.530 -0.583 1.00 0.00 O ATOM 774 CB GLN A 58 -0.656 -7.647 -2.837 1.00 0.00 C ATOM 775 CG GLN A 58 0.602 -7.675 -3.703 1.00 0.00 C ATOM 776 CD GLN A 58 1.774 -8.406 -3.064 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.473 -7.860 -2.210 1.00 0.00 O ATOM 778 NE2 GLN A 58 2.008 -9.639 -3.499 1.00 0.00 N ATOM 0 H GLN A 58 -1.637 -10.116 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 58 0.125 -8.834 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.529 -7.655 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.679 -6.708 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.365 -8.150 -4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.902 -6.651 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.403 -10.053 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.793 -10.172 -3.124 1.00 0.00 H new ATOM 787 N ARG A 59 -2.199 -7.334 -0.528 1.00 0.00 N ATOM 788 CA ARG A 59 -3.307 -7.005 0.360 1.00 0.00 C ATOM 789 C ARG A 59 -3.787 -5.579 0.141 1.00 0.00 C ATOM 790 O ARG A 59 -3.077 -4.746 -0.423 1.00 0.00 O ATOM 791 CB ARG A 59 -2.892 -7.188 1.822 1.00 0.00 C ATOM 792 CG ARG A 59 -1.812 -6.220 2.272 1.00 0.00 C ATOM 793 CD ARG A 59 -0.431 -6.671 1.825 1.00 0.00 C ATOM 794 NE ARG A 59 -0.097 -7.998 2.334 1.00 0.00 N ATOM 795 CZ ARG A 59 0.875 -8.757 1.835 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.598 -8.327 0.810 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.122 -9.949 2.361 1.00 0.00 N ATOM 0 H ARG A 59 -1.628 -6.536 -0.806 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.127 -7.684 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.768 -7.063 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.537 -8.208 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.020 -5.229 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.832 -6.132 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.387 -6.679 0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.314 -5.953 2.169 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.640 -8.364 3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.410 -7.412 0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.342 -8.912 0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.567 -10.284 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.867 -10.531 1.978 1.00 0.00 H new ATOM 811 N ALA A 60 -5.002 -5.317 0.598 1.00 0.00 N ATOM 812 CA ALA A 60 -5.607 -3.997 0.472 1.00 0.00 C ATOM 813 C ALA A 60 -4.936 -3.005 1.418 1.00 0.00 C ATOM 814 O ALA A 60 -4.894 -3.220 2.629 1.00 0.00 O ATOM 815 CB ALA A 60 -7.102 -4.074 0.754 1.00 0.00 C ATOM 0 H ALA A 60 -5.593 -6.006 1.063 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.462 -3.646 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.542 -3.082 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.572 -4.751 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.263 -4.444 1.766 1.00 0.00 H new ATOM 821 N ARG A 61 -4.413 -1.917 0.857 1.00 0.00 N ATOM 822 CA ARG A 61 -3.733 -0.894 1.646 1.00 0.00 C ATOM 823 C ARG A 61 -4.209 0.505 1.256 1.00 0.00 C ATOM 824 O ARG A 61 -5.076 0.661 0.396 1.00 0.00 O ATOM 825 CB ARG A 61 -2.221 -0.988 1.432 1.00 0.00 C ATOM 826 CG ARG A 61 -1.654 -2.376 1.681 1.00 0.00 C ATOM 827 CD ARG A 61 -1.411 -2.627 3.156 1.00 0.00 C ATOM 828 NE ARG A 61 -0.126 -2.097 3.604 1.00 0.00 N ATOM 829 CZ ARG A 61 0.385 -2.324 4.811 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.289 -3.042 5.700 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.572 -1.829 5.131 1.00 0.00 N ATOM 0 H ARG A 61 -4.448 -1.721 -0.143 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.970 -1.066 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.988 -0.688 0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.724 -0.278 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.344 -3.126 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.718 -2.490 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.212 -2.170 3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.447 -3.699 3.351 1.00 0.00 H new ATOM 0 HE ARG A 61 0.410 -1.520 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.204 -3.423 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.108 -3.213 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.093 -1.274 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.964 -2.003 6.056 1.00 0.00 H new ATOM 845 N CYS A 62 -3.630 1.515 1.897 1.00 0.00 N ATOM 846 CA CYS A 62 -3.967 2.909 1.620 1.00 0.00 C ATOM 847 C CYS A 62 -2.749 3.798 1.884 1.00 0.00 C ATOM 848 O CYS A 62 -2.263 3.856 3.010 1.00 0.00 O ATOM 849 CB CYS A 62 -5.143 3.359 2.490 1.00 0.00 C ATOM 850 SG CYS A 62 -6.699 2.473 2.163 1.00 0.00 S ATOM 0 H CYS A 62 -2.919 1.393 2.618 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.257 2.999 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.876 3.226 3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.307 4.426 2.336 1.00 0.00 H new ATOM 855 N CYS A 63 -2.263 4.501 0.857 1.00 0.00 N ATOM 856 CA CYS A 63 -1.080 5.349 1.011 1.00 0.00 C ATOM 857 C CYS A 63 -1.336 6.774 0.526 1.00 0.00 C ATOM 858 O CYS A 63 -2.324 7.039 -0.158 1.00 0.00 O ATOM 859 CB CYS A 63 0.088 4.747 0.234 1.00 0.00 C ATOM 860 SG CYS A 63 -0.045 2.950 -0.031 1.00 0.00 S ATOM 0 H CYS A 63 -2.666 4.500 -0.080 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.840 5.395 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.160 5.242 -0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.014 4.957 0.769 1.00 0.00 H new ATOM 865 N LYS A 64 -0.431 7.689 0.883 1.00 0.00 N ATOM 866 CA LYS A 64 -0.565 9.093 0.479 1.00 0.00 C ATOM 867 C LYS A 64 0.263 9.399 -0.774 1.00 0.00 C ATOM 868 O LYS A 64 0.937 8.519 -1.310 1.00 0.00 O ATOM 869 CB LYS A 64 -0.187 10.026 1.651 1.00 0.00 C ATOM 870 CG LYS A 64 1.061 10.889 1.443 1.00 0.00 C ATOM 871 CD LYS A 64 2.337 10.063 1.398 1.00 0.00 C ATOM 872 CE LYS A 64 2.763 9.622 2.783 1.00 0.00 C ATOM 873 NZ LYS A 64 4.114 8.986 2.777 1.00 0.00 N ATOM 0 H LYS A 64 0.395 7.487 1.446 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.608 9.276 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.031 10.685 1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.039 9.416 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.961 11.449 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.133 11.619 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.182 9.187 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.134 10.648 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.771 10.483 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.032 8.917 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.296 8.549 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.151 8.257 2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.837 9.709 2.587 1.00 0.00 H new ATOM 887 N ASP A 65 0.183 10.653 -1.237 1.00 0.00 N ATOM 888 CA ASP A 65 0.913 11.117 -2.421 1.00 0.00 C ATOM 889 C ASP A 65 0.215 10.679 -3.703 1.00 0.00 C ATOM 890 O ASP A 65 0.725 10.888 -4.805 1.00 0.00 O ATOM 891 CB ASP A 65 2.365 10.621 -2.411 1.00 0.00 C ATOM 892 CG ASP A 65 3.217 11.303 -3.465 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.696 12.426 -3.206 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.403 10.713 -4.550 1.00 0.00 O ATOM 0 H ASP A 65 -0.391 11.374 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 65 0.924 12.206 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.799 10.797 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.379 9.544 -2.578 1.00 0.00 H new ATOM 899 N ASP A 66 -0.958 10.075 -3.555 1.00 0.00 N ATOM 900 CA ASP A 66 -1.730 9.615 -4.700 1.00 0.00 C ATOM 901 C ASP A 66 -3.097 10.292 -4.738 1.00 0.00 C ATOM 902 O ASP A 66 -4.040 9.779 -5.339 1.00 0.00 O ATOM 903 CB ASP A 66 -1.891 8.095 -4.653 1.00 0.00 C ATOM 904 CG ASP A 66 -2.296 7.600 -3.278 1.00 0.00 C ATOM 905 OD1 ASP A 66 -3.048 8.318 -2.586 1.00 0.00 O ATOM 906 OD2 ASP A 66 -1.856 6.498 -2.890 1.00 0.00 O ATOM 0 H ASP A 66 -1.395 9.893 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.190 9.883 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.641 7.789 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.952 7.624 -4.944 1.00 0.00 H new ATOM 911 N VAL A 67 -3.189 11.448 -4.089 1.00 0.00 N ATOM 912 CA VAL A 67 -4.439 12.202 -4.041 1.00 0.00 C ATOM 913 C VAL A 67 -4.301 13.574 -4.702 1.00 0.00 C ATOM 914 O VAL A 67 -5.235 14.059 -5.340 1.00 0.00 O ATOM 915 CB VAL A 67 -4.924 12.386 -2.589 1.00 0.00 C ATOM 916 CG1 VAL A 67 -5.056 11.037 -1.901 1.00 0.00 C ATOM 917 CG2 VAL A 67 -3.983 13.296 -1.811 1.00 0.00 C ATOM 0 H VAL A 67 -2.414 11.884 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.174 11.619 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.905 12.861 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.399 11.183 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.776 10.422 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.087 10.537 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.348 13.409 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.985 12.858 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.942 14.273 -2.292 1.00 0.00 H new ATOM 927 N THR A 68 -3.131 14.193 -4.547 1.00 0.00 N ATOM 928 CA THR A 68 -2.878 15.511 -5.125 1.00 0.00 C ATOM 929 C THR A 68 -3.054 15.502 -6.642 1.00 0.00 C ATOM 930 O THR A 68 -3.130 16.557 -7.273 1.00 0.00 O ATOM 931 CB THR A 68 -1.459 16.016 -4.787 1.00 0.00 C ATOM 932 OG1 THR A 68 -1.332 17.395 -5.153 1.00 0.00 O ATOM 933 CG2 THR A 68 -0.394 15.201 -5.510 1.00 0.00 C ATOM 0 H THR A 68 -2.345 13.803 -4.027 1.00 0.00 H new ATOM 0 HA THR A 68 -3.612 16.186 -4.685 1.00 0.00 H new ATOM 0 HB THR A 68 -1.310 15.902 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.975 17.606 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.594 15.582 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.470 14.156 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.543 15.282 -6.587 1.00 0.00 H new ATOM 941 N ASN A 69 -3.119 14.309 -7.222 1.00 0.00 N ATOM 942 CA ASN A 69 -3.286 14.168 -8.662 1.00 0.00 C ATOM 943 C ASN A 69 -3.739 12.756 -9.017 1.00 0.00 C ATOM 944 O ASN A 69 -3.017 11.785 -8.792 1.00 0.00 O ATOM 945 CB ASN A 69 -1.974 14.493 -9.382 1.00 0.00 C ATOM 946 CG ASN A 69 -2.108 14.446 -10.893 1.00 0.00 C ATOM 947 OD1 ASN A 69 -1.162 14.099 -11.599 1.00 0.00 O ATOM 948 ND2 ASN A 69 -3.286 14.797 -11.397 1.00 0.00 N ATOM 0 H ASN A 69 -3.058 13.425 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.054 14.870 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.636 15.485 -9.082 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.207 13.786 -9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.433 14.785 -12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.044 15.078 -10.775 1.00 0.00 H new ATOM 955 N THR A 70 -4.946 12.652 -9.566 1.00 0.00 N ATOM 956 CA THR A 70 -5.506 11.367 -9.957 1.00 0.00 C ATOM 957 C THR A 70 -4.607 10.654 -10.962 1.00 0.00 C ATOM 958 O THR A 70 -4.660 9.431 -11.096 1.00 0.00 O ATOM 959 CB THR A 70 -6.907 11.541 -10.567 1.00 0.00 C ATOM 960 OG1 THR A 70 -6.830 12.336 -11.755 1.00 0.00 O ATOM 961 CG2 THR A 70 -7.854 12.196 -9.571 1.00 0.00 C ATOM 0 H THR A 70 -5.556 13.448 -9.750 1.00 0.00 H new ATOM 0 HA THR A 70 -5.579 10.760 -9.054 1.00 0.00 H new ATOM 0 HB THR A 70 -7.295 10.554 -10.817 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.726 12.440 -12.138 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.839 12.309 -10.025 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.934 11.572 -8.681 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.468 13.177 -9.293 1.00 0.00 H new ATOM 969 N GLY A 71 -3.785 11.425 -11.668 1.00 0.00 N ATOM 970 CA GLY A 71 -2.883 10.850 -12.649 1.00 0.00 C ATOM 971 C GLY A 71 -1.825 9.968 -12.013 1.00 0.00 C ATOM 972 O GLY A 71 -1.288 9.066 -12.657 1.00 0.00 O ATOM 0 H GLY A 71 -3.728 12.439 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.457 10.264 -13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.398 11.651 -13.206 1.00 0.00 H new ATOM 976 N ASN A 72 -1.524 10.232 -10.745 1.00 0.00 N ATOM 977 CA ASN A 72 -0.526 9.459 -10.013 1.00 0.00 C ATOM 978 C ASN A 72 -1.038 8.053 -9.713 1.00 0.00 C ATOM 979 O ASN A 72 -1.583 7.796 -8.639 1.00 0.00 O ATOM 980 CB ASN A 72 -0.158 10.169 -8.708 1.00 0.00 C ATOM 981 CG ASN A 72 0.486 11.524 -8.940 1.00 0.00 C ATOM 982 OD1 ASN A 72 0.314 12.447 -8.144 1.00 0.00 O ATOM 983 ND2 ASN A 72 1.236 11.649 -10.029 1.00 0.00 N ATOM 0 H ASN A 72 -1.959 10.978 -10.202 1.00 0.00 H new ATOM 0 HA ASN A 72 0.363 9.376 -10.638 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.056 10.297 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.525 9.540 -8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.696 12.536 -10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.352 10.858 -10.662 1.00 0.00 H new ATOM 990 N SER A 73 -0.858 7.148 -10.667 1.00 0.00 N ATOM 991 CA SER A 73 -1.303 5.766 -10.507 1.00 0.00 C ATOM 992 C SER A 73 -0.306 4.951 -9.687 1.00 0.00 C ATOM 993 O SER A 73 -0.668 4.349 -8.676 1.00 0.00 O ATOM 994 CB SER A 73 -1.508 5.114 -11.876 1.00 0.00 C ATOM 995 OG SER A 73 -1.956 3.776 -11.742 1.00 0.00 O ATOM 0 H SER A 73 -0.407 7.345 -11.561 1.00 0.00 H new ATOM 0 HA SER A 73 -2.251 5.782 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.235 5.688 -12.451 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.573 5.133 -12.435 1.00 0.00 H new ATOM 0 HG SER A 73 -2.081 3.382 -12.631 1.00 0.00 H new ATOM 1001 N PHE A 74 0.950 4.936 -10.127 1.00 0.00 N ATOM 1002 CA PHE A 74 1.996 4.182 -9.432 1.00 0.00 C ATOM 1003 C PHE A 74 2.948 5.111 -8.678 1.00 0.00 C ATOM 1004 O PHE A 74 3.533 6.018 -9.270 1.00 0.00 O ATOM 1005 CB PHE A 74 2.783 3.321 -10.429 1.00 0.00 C ATOM 1006 CG PHE A 74 4.049 2.756 -9.857 1.00 0.00 C ATOM 1007 CD1 PHE A 74 3.997 1.743 -8.917 1.00 0.00 C ATOM 1008 CD2 PHE A 74 5.287 3.237 -10.253 1.00 0.00 C ATOM 1009 CE1 PHE A 74 5.154 1.219 -8.380 1.00 0.00 C ATOM 1010 CE2 PHE A 74 6.450 2.717 -9.720 1.00 0.00 C ATOM 1011 CZ PHE A 74 6.383 1.705 -8.780 1.00 0.00 C ATOM 0 H PHE A 74 1.270 5.434 -10.958 1.00 0.00 H new ATOM 0 HA PHE A 74 1.509 3.534 -8.703 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.150 2.502 -10.770 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.025 3.922 -11.305 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.039 1.358 -8.600 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.343 4.027 -10.987 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.099 0.428 -7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.409 3.100 -10.036 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.290 1.296 -8.360 1.00 0.00 H new ATOM 1021 N LEU A 75 3.108 4.879 -7.368 1.00 0.00 N ATOM 1022 CA LEU A 75 3.993 5.707 -6.553 1.00 0.00 C ATOM 1023 C LEU A 75 4.997 4.859 -5.778 1.00 0.00 C ATOM 1024 O LEU A 75 4.798 3.662 -5.571 1.00 0.00 O ATOM 1025 CB LEU A 75 3.190 6.557 -5.555 1.00 0.00 C ATOM 1026 CG LEU A 75 2.200 7.561 -6.162 1.00 0.00 C ATOM 1027 CD1 LEU A 75 2.866 8.387 -7.254 1.00 0.00 C ATOM 1028 CD2 LEU A 75 0.963 6.853 -6.697 1.00 0.00 C ATOM 0 H LEU A 75 2.639 4.131 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 75 4.532 6.360 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.637 5.884 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.893 7.106 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 75 1.883 8.239 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.145 9.091 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.708 8.936 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.223 7.726 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.278 7.587 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.256 6.142 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.467 6.322 -5.884 1.00 0.00 H new ATOM 1040 N ILE A 76 6.078 5.504 -5.354 1.00 0.00 N ATOM 1041 CA ILE A 76 7.119 4.857 -4.569 1.00 0.00 C ATOM 1042 C ILE A 76 7.020 5.362 -3.138 1.00 0.00 C ATOM 1043 O ILE A 76 7.399 6.499 -2.855 1.00 0.00 O ATOM 1044 CB ILE A 76 8.529 5.178 -5.109 1.00 0.00 C ATOM 1045 CG1 ILE A 76 8.606 4.921 -6.621 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.579 4.368 -4.356 1.00 0.00 C ATOM 1047 CD1 ILE A 76 8.822 3.470 -6.997 1.00 0.00 C ATOM 0 H ILE A 76 6.256 6.490 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 76 6.973 3.778 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 76 8.733 6.236 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.683 5.271 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.418 5.517 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.569 4.604 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.539 4.616 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.381 3.304 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.864 3.378 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.759 3.118 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.998 2.868 -6.613 1.00 0.00 H new ATOM 1059 N ILE A 77 6.516 4.532 -2.232 1.00 0.00 N ATOM 1060 CA ILE A 77 6.345 4.973 -0.856 1.00 0.00 C ATOM 1061 C ILE A 77 6.757 3.923 0.165 1.00 0.00 C ATOM 1062 O ILE A 77 6.838 2.731 -0.135 1.00 0.00 O ATOM 1063 CB ILE A 77 4.885 5.391 -0.599 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.923 4.399 -1.287 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.656 6.826 -1.070 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.776 5.047 -2.039 1.00 0.00 C ATOM 0 H ILE A 77 6.225 3.573 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 77 7.008 5.829 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 77 4.682 5.362 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.494 3.783 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.512 3.729 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.620 7.109 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.320 7.498 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.864 6.896 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.153 4.274 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.176 5.639 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.173 5.694 -2.821 1.00 0.00 H new ATOM 1078 N ASN A 78 7.011 4.396 1.381 1.00 0.00 N ATOM 1079 CA ASN A 78 7.425 3.540 2.484 1.00 0.00 C ATOM 1080 C ASN A 78 6.252 2.712 2.998 1.00 0.00 C ATOM 1081 O ASN A 78 5.093 3.102 2.857 1.00 0.00 O ATOM 1082 CB ASN A 78 7.994 4.400 3.614 1.00 0.00 C ATOM 1083 CG ASN A 78 8.853 3.600 4.577 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.430 2.578 4.206 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.946 4.065 5.816 1.00 0.00 N ATOM 0 H ASN A 78 6.935 5.383 1.628 1.00 0.00 H new ATOM 0 HA ASN A 78 8.194 2.855 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.588 5.208 3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.174 4.863 4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.513 3.571 6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.450 4.916 6.080 1.00 0.00 H new ATOM 1092 N ALA A 79 6.565 1.565 3.595 1.00 0.00 N ATOM 1093 CA ALA A 79 5.542 0.677 4.133 1.00 0.00 C ATOM 1094 C ALA A 79 4.765 1.351 5.257 1.00 0.00 C ATOM 1095 O ALA A 79 3.702 0.879 5.658 1.00 0.00 O ATOM 1096 CB ALA A 79 6.170 -0.617 4.629 1.00 0.00 C ATOM 0 H ALA A 79 7.520 1.230 3.718 1.00 0.00 H new ATOM 0 HA ALA A 79 4.843 0.444 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.393 -1.269 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.674 -1.117 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.893 -0.393 5.413 1.00 0.00 H new ATOM 1102 N ALA A 80 5.306 2.455 5.765 1.00 0.00 N ATOM 1103 CA ALA A 80 4.659 3.195 6.840 1.00 0.00 C ATOM 1104 C ALA A 80 3.546 4.080 6.296 1.00 0.00 C ATOM 1105 O ALA A 80 2.600 4.410 7.012 1.00 0.00 O ATOM 1106 CB ALA A 80 5.675 4.032 7.602 1.00 0.00 C ATOM 0 H ALA A 80 6.189 2.855 5.449 1.00 0.00 H new ATOM 0 HA ALA A 80 4.218 2.473 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.172 4.577 8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.435 3.379 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.147 4.740 6.921 1.00 0.00 H new ATOM 1112 N ASN A 81 3.662 4.465 5.027 1.00 0.00 N ATOM 1113 CA ASN A 81 2.653 5.310 4.403 1.00 0.00 C ATOM 1114 C ASN A 81 1.376 4.528 4.142 1.00 0.00 C ATOM 1115 O ASN A 81 0.281 5.084 4.167 1.00 0.00 O ATOM 1116 CB ASN A 81 3.155 5.910 3.082 1.00 0.00 C ATOM 1117 CG ASN A 81 2.062 6.646 2.347 1.00 0.00 C ATOM 1118 OD1 ASN A 81 2.094 6.763 1.122 1.00 0.00 O ATOM 1119 ND2 ASN A 81 1.091 7.159 3.098 1.00 0.00 N ATOM 0 H ASN A 81 4.438 4.207 4.417 1.00 0.00 H new ATOM 0 HA ASN A 81 2.446 6.122 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.980 6.593 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.547 5.115 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.328 7.677 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.109 7.035 4.110 1.00 0.00 H new ATOM 1126 N CYS A 82 1.511 3.234 3.904 1.00 0.00 N ATOM 1127 CA CYS A 82 0.351 2.416 3.619 1.00 0.00 C ATOM 1128 C CYS A 82 -0.090 1.649 4.863 1.00 0.00 C ATOM 1129 O CYS A 82 0.488 0.617 5.202 1.00 0.00 O ATOM 1130 CB CYS A 82 0.671 1.432 2.491 1.00 0.00 C ATOM 1131 SG CYS A 82 1.490 2.192 1.052 1.00 0.00 S ATOM 0 H CYS A 82 2.401 2.735 3.903 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.463 3.071 3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.310 0.641 2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.255 0.960 2.162 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.110 2.160 5.543 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.623 1.516 6.747 1.00 0.00 C ATOM 1138 C GLN A 83 -2.926 0.773 6.460 1.00 0.00 C ATOM 1139 O GLN A 83 -3.832 1.308 5.822 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.846 2.554 7.856 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.608 2.806 8.700 1.00 0.00 C ATOM 1142 CD GLN A 83 -0.849 3.814 9.807 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -1.242 3.454 10.916 1.00 0.00 O ATOM 1144 NE2 GLN A 83 -0.613 5.086 9.509 1.00 0.00 N ATOM 0 H GLN A 83 -1.598 3.017 5.282 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.880 0.791 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.168 3.493 7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.656 2.216 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.274 1.865 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.198 3.163 8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.288 5.339 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.757 5.810 10.213 1.00 0.00 H new ATOM 1153 N THR A 84 -3.002 -0.468 6.936 1.00 0.00 N ATOM 1154 CA THR A 84 -4.186 -1.299 6.743 1.00 0.00 C ATOM 1155 C THR A 84 -5.452 -0.567 7.194 1.00 0.00 C ATOM 1156 O THR A 84 -5.483 0.007 8.282 1.00 0.00 O ATOM 1157 CB THR A 84 -4.075 -2.627 7.520 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.701 -3.016 7.636 1.00 0.00 O ATOM 1159 CG2 THR A 84 -4.856 -3.727 6.818 1.00 0.00 C ATOM 0 H THR A 84 -2.253 -0.921 7.460 1.00 0.00 H new ATOM 0 HA THR A 84 -4.250 -1.513 5.676 1.00 0.00 H new ATOM 0 HB THR A 84 -4.495 -2.476 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.640 -3.859 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.765 -4.655 7.382 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.906 -3.443 6.754 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.457 -3.872 5.814 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.518 -0.575 6.364 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.780 0.099 6.696 1.00 0.00 C ATOM 1169 C PRO A 85 -8.416 -0.441 7.975 1.00 0.00 C ATOM 1170 O PRO A 85 -8.261 -1.617 8.308 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.685 -0.193 5.493 1.00 0.00 C ATOM 1172 CG PRO A 85 -8.055 -1.351 4.794 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.580 -1.230 5.045 1.00 0.00 C ATOM 0 HA PRO A 85 -7.624 1.162 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.699 -0.432 5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.754 0.673 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.440 -2.296 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.273 -1.328 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.092 -2.204 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.088 -0.635 4.276 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.132 0.428 8.685 1.00 0.00 N ATOM 1182 CA ALA A 86 -9.798 0.045 9.925 1.00 0.00 C ATOM 1183 C ALA A 86 -11.022 -0.819 9.639 1.00 0.00 C ATOM 1184 O ALA A 86 -11.858 -0.468 8.807 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.198 1.282 10.713 1.00 0.00 C ATOM 0 H ALA A 86 -9.265 1.404 8.421 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.098 -0.541 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.694 0.981 11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.308 1.864 10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.879 1.889 10.116 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.122 -1.947 10.334 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.248 -2.844 10.138 1.00 0.00 C ATOM 1193 C GLY A 87 -11.944 -3.948 9.141 1.00 0.00 C ATOM 1194 O GLY A 87 -12.639 -4.962 9.100 1.00 0.00 O ATOM 0 H GLY A 87 -10.444 -2.257 11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.525 -3.288 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.108 -2.272 9.791 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.902 -3.749 8.337 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.506 -4.734 7.341 1.00 0.00 C ATOM 1200 C LEU A 88 -9.493 -5.715 7.922 1.00 0.00 C ATOM 1201 O LEU A 88 -8.327 -5.315 8.116 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.932 -4.043 6.112 1.00 0.00 C ATOM 1203 CG LEU A 88 -9.503 -4.977 4.997 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.812 -4.320 3.689 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -8.022 -5.313 5.096 1.00 0.00 C ATOM 1206 OXT LEU A 88 -9.877 -6.876 8.180 1.00 0.00 O ATOM 0 H LEU A 88 -10.318 -2.913 8.358 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.392 -5.295 7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -10.678 -3.351 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.073 -3.446 6.417 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.048 -5.917 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.511 -4.976 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.883 -4.126 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.268 -3.378 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.746 -5.984 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.436 -4.397 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.822 -5.799 6.051 1.00 0.00 H new TER 1218 LEU A 88