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 64 LYS NZ :NH3+ -176:sc= -2.78 (180deg=-1.58) USER MOD Set 1.2: A 81 ASN : amide:sc= -8.97! C(o=-12!,f=-7.2!) USER MOD Set 2.1: A 18 TYR OH : rot 110:sc= -0.0471 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.848 K(o=-0.89,f=0.14) USER MOD Single : A 1 SER N :NH3+ -105:sc= 0.0315 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 141:sc= -0.24 (180deg=-1.21) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot -176:sc= 0.84 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 136:sc= 0.235 USER MOD Single : A 22 GLN : amide:sc= -2.44 K(o=-2.4,f=-1.6!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.92! K(o=-3.9!,f=-0.51) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -7.62! K(o=-7.6!,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0835 X(o=-0.083,f=0) USER MOD Single : A 51 SER OG : rot 88:sc= 1.26 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -7.7! C(o=-7.7!,f=-5.6!) USER MOD Single : A 68 THR OG1 : rot -47:sc= 0.444 USER MOD Single : A 69 ASN : amide:sc= -0.805 K(o=-0.81,f=-0.16) USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000606 USER MOD Single : A 72 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.8) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.036 K(o=-0.036,f=-2.4!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0616 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -38.024 -10.469 -3.610 1.00 0.00 N ATOM 2 CA SER A 1 -38.142 -9.281 -4.495 1.00 0.00 C ATOM 3 C SER A 1 -36.925 -8.370 -4.347 1.00 0.00 C ATOM 4 O SER A 1 -36.325 -8.297 -3.274 1.00 0.00 O ATOM 5 CB SER A 1 -39.417 -8.502 -4.162 1.00 0.00 C ATOM 6 OG SER A 1 -39.406 -8.056 -2.816 1.00 0.00 O ATOM 0 H1 SER A 1 -37.782 -11.304 -4.180 1.00 0.00 H new ATOM 0 H2 SER A 1 -37.278 -10.304 -2.904 1.00 0.00 H new ATOM 0 H3 SER A 1 -38.929 -10.632 -3.125 1.00 0.00 H new ATOM 0 HA SER A 1 -38.191 -9.628 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 1 -39.509 -7.646 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 1 -40.288 -9.135 -4.332 1.00 0.00 H new ATOM 0 HG SER A 1 -40.230 -7.560 -2.629 1.00 0.00 H new ATOM 14 N PRO A 2 -36.540 -7.661 -5.426 1.00 0.00 N ATOM 15 CA PRO A 2 -35.390 -6.756 -5.404 1.00 0.00 C ATOM 16 C PRO A 2 -35.718 -5.416 -4.758 1.00 0.00 C ATOM 17 O PRO A 2 -35.755 -4.384 -5.428 1.00 0.00 O ATOM 18 CB PRO A 2 -35.070 -6.571 -6.886 1.00 0.00 C ATOM 19 CG PRO A 2 -36.387 -6.706 -7.570 1.00 0.00 C ATOM 20 CD PRO A 2 -37.191 -7.686 -6.753 1.00 0.00 C ATOM 0 HA PRO A 2 -34.563 -7.156 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -34.621 -5.596 -7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -34.362 -7.322 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -36.894 -5.743 -7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -36.259 -7.064 -8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -38.238 -7.389 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -37.168 -8.684 -7.190 1.00 0.00 H new ATOM 28 N ALA A 3 -35.959 -5.437 -3.449 1.00 0.00 N ATOM 29 CA ALA A 3 -36.263 -4.217 -2.716 1.00 0.00 C ATOM 30 C ALA A 3 -35.046 -3.303 -2.716 1.00 0.00 C ATOM 31 O ALA A 3 -35.123 -2.134 -2.340 1.00 0.00 O ATOM 32 CB ALA A 3 -36.686 -4.545 -1.291 1.00 0.00 C ATOM 0 H ALA A 3 -35.949 -6.283 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 3 -37.090 -3.704 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -36.910 -3.622 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -37.574 -5.177 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -35.878 -5.071 -0.784 1.00 0.00 H new ATOM 38 N ALA A 4 -33.922 -3.865 -3.147 1.00 0.00 N ATOM 39 CA ALA A 4 -32.665 -3.138 -3.224 1.00 0.00 C ATOM 40 C ALA A 4 -32.444 -2.597 -4.633 1.00 0.00 C ATOM 41 O ALA A 4 -31.312 -2.320 -5.034 1.00 0.00 O ATOM 42 CB ALA A 4 -31.521 -4.056 -2.825 1.00 0.00 C ATOM 0 H ALA A 4 -33.859 -4.836 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 4 -32.702 -2.292 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -30.579 -3.510 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -31.675 -4.407 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -31.487 -4.910 -3.501 1.00 0.00 H new ATOM 48 N MET A 5 -33.535 -2.455 -5.379 1.00 0.00 N ATOM 49 CA MET A 5 -33.475 -1.958 -6.749 1.00 0.00 C ATOM 50 C MET A 5 -32.721 -0.633 -6.826 1.00 0.00 C ATOM 51 O MET A 5 -31.714 -0.522 -7.527 1.00 0.00 O ATOM 52 CB MET A 5 -34.888 -1.789 -7.311 1.00 0.00 C ATOM 53 CG MET A 5 -34.918 -1.304 -8.751 1.00 0.00 C ATOM 54 SD MET A 5 -33.858 -2.280 -9.838 1.00 0.00 S ATOM 55 CE MET A 5 -34.503 -3.928 -9.554 1.00 0.00 C ATOM 0 H MET A 5 -34.476 -2.679 -5.055 1.00 0.00 H new ATOM 0 HA MET A 5 -32.934 -2.691 -7.348 1.00 0.00 H new ATOM 0 HB2 MET A 5 -35.412 -2.743 -7.247 1.00 0.00 H new ATOM 0 HB3 MET A 5 -35.436 -1.082 -6.687 1.00 0.00 H new ATOM 0 HG2 MET A 5 -35.943 -1.341 -9.121 1.00 0.00 H new ATOM 0 HG3 MET A 5 -34.604 -0.261 -8.785 1.00 0.00 H new ATOM 0 HE1 MET A 5 -34.522 -4.479 -10.495 1.00 0.00 H new ATOM 0 HE2 MET A 5 -33.866 -4.450 -8.840 1.00 0.00 H new ATOM 0 HE3 MET A 5 -35.515 -3.859 -9.154 1.00 0.00 H new ATOM 65 N GLU A 6 -33.215 0.368 -6.106 1.00 0.00 N ATOM 66 CA GLU A 6 -32.584 1.685 -6.094 1.00 0.00 C ATOM 67 C GLU A 6 -31.872 1.934 -4.768 1.00 0.00 C ATOM 68 O GLU A 6 -31.311 3.009 -4.547 1.00 0.00 O ATOM 69 CB GLU A 6 -33.622 2.783 -6.346 1.00 0.00 C ATOM 70 CG GLU A 6 -34.679 2.898 -5.257 1.00 0.00 C ATOM 71 CD GLU A 6 -35.627 1.716 -5.229 1.00 0.00 C ATOM 72 OE1 GLU A 6 -36.538 1.664 -6.082 1.00 0.00 O ATOM 73 OE2 GLU A 6 -35.460 0.841 -4.353 1.00 0.00 O ATOM 0 H GLU A 6 -34.049 0.294 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 6 -31.845 1.710 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -33.108 3.739 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -34.116 2.590 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -34.187 2.986 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -35.251 3.813 -5.408 1.00 0.00 H new ATOM 80 N ARG A 7 -31.898 0.937 -3.891 1.00 0.00 N ATOM 81 CA ARG A 7 -31.250 1.050 -2.583 1.00 0.00 C ATOM 82 C ARG A 7 -30.027 0.141 -2.499 1.00 0.00 C ATOM 83 O ARG A 7 -30.143 -1.081 -2.600 1.00 0.00 O ATOM 84 CB ARG A 7 -32.233 0.707 -1.457 1.00 0.00 C ATOM 85 CG ARG A 7 -33.503 1.543 -1.481 1.00 0.00 C ATOM 86 CD ARG A 7 -34.493 1.084 -0.423 1.00 0.00 C ATOM 87 NE ARG A 7 -33.917 1.118 0.918 1.00 0.00 N ATOM 88 CZ ARG A 7 -34.577 0.756 2.014 1.00 0.00 C ATOM 89 NH1 ARG A 7 -35.833 0.337 1.930 1.00 0.00 N ATOM 90 NH2 ARG A 7 -33.980 0.812 3.197 1.00 0.00 N ATOM 0 H ARG A 7 -32.359 0.042 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.925 2.083 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -32.501 -0.347 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -31.735 0.845 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -33.253 2.591 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.965 1.477 -2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.377 1.721 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -34.822 0.070 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 7 -32.954 1.438 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.296 0.292 1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -36.336 0.060 2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.014 1.133 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -34.487 0.534 4.038 1.00 0.00 H new ATOM 104 N GLN A 8 -28.856 0.743 -2.313 1.00 0.00 N ATOM 105 CA GLN A 8 -27.614 -0.015 -2.216 1.00 0.00 C ATOM 106 C GLN A 8 -26.784 0.449 -1.021 1.00 0.00 C ATOM 107 O GLN A 8 -26.901 1.593 -0.579 1.00 0.00 O ATOM 108 CB GLN A 8 -26.800 0.126 -3.504 1.00 0.00 C ATOM 109 CG GLN A 8 -27.525 -0.379 -4.739 1.00 0.00 C ATOM 110 CD GLN A 8 -26.639 -0.391 -5.970 1.00 0.00 C ATOM 111 OE1 GLN A 8 -26.570 0.591 -6.709 1.00 0.00 O ATOM 112 NE2 GLN A 8 -25.956 -1.508 -6.196 1.00 0.00 N ATOM 0 H GLN A 8 -28.742 1.753 -2.227 1.00 0.00 H new ATOM 0 HA GLN A 8 -27.870 -1.065 -2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -26.542 1.175 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -25.863 -0.420 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.895 -1.387 -4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -28.395 0.250 -4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -26.044 -2.298 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -25.344 -1.576 -7.009 1.00 0.00 H new ATOM 121 N VAL A 9 -25.947 -0.446 -0.506 1.00 0.00 N ATOM 122 CA VAL A 9 -25.098 -0.131 0.639 1.00 0.00 C ATOM 123 C VAL A 9 -23.698 0.289 0.187 1.00 0.00 C ATOM 124 O VAL A 9 -22.967 -0.512 -0.396 1.00 0.00 O ATOM 125 CB VAL A 9 -24.973 -1.337 1.593 1.00 0.00 C ATOM 126 CG1 VAL A 9 -24.184 -0.961 2.840 1.00 0.00 C ATOM 127 CG2 VAL A 9 -26.345 -1.873 1.965 1.00 0.00 C ATOM 0 H VAL A 9 -25.838 -1.395 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.572 0.696 1.167 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.429 -2.126 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -24.109 -1.827 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -23.184 -0.635 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.694 -0.151 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.233 -2.723 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.919 -1.090 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.868 -2.191 1.063 1.00 0.00 H new ATOM 137 N PRO A 10 -23.302 1.551 0.452 1.00 0.00 N ATOM 138 CA PRO A 10 -21.981 2.056 0.065 1.00 0.00 C ATOM 139 C PRO A 10 -20.871 1.535 0.973 1.00 0.00 C ATOM 140 O PRO A 10 -21.109 1.211 2.137 1.00 0.00 O ATOM 141 CB PRO A 10 -22.129 3.568 0.216 1.00 0.00 C ATOM 142 CG PRO A 10 -23.152 3.738 1.286 1.00 0.00 C ATOM 143 CD PRO A 10 -24.105 2.583 1.140 1.00 0.00 C ATOM 0 HA PRO A 10 -21.698 1.737 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.183 4.034 0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.450 4.031 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -22.688 3.738 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.673 4.689 1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.461 2.233 2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.984 2.860 0.558 1.00 0.00 H new ATOM 151 N TYR A 11 -19.659 1.458 0.432 1.00 0.00 N ATOM 152 CA TYR A 11 -18.508 0.977 1.191 1.00 0.00 C ATOM 153 C TYR A 11 -17.261 1.800 0.879 1.00 0.00 C ATOM 154 O TYR A 11 -16.811 1.854 -0.266 1.00 0.00 O ATOM 155 CB TYR A 11 -18.245 -0.504 0.878 1.00 0.00 C ATOM 156 CG TYR A 11 -16.900 -1.000 1.371 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.706 -1.334 2.707 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.822 -1.123 0.501 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.477 -1.779 3.159 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.590 -1.567 0.948 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.424 -1.893 2.277 1.00 0.00 C ATOM 162 OH TYR A 11 -13.201 -2.333 2.727 1.00 0.00 O ATOM 0 H TYR A 11 -19.448 1.723 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.736 1.086 2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -19.033 -1.107 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.306 -0.655 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.528 -1.245 3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.949 -0.868 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.343 -2.036 4.199 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.763 -1.658 0.259 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.551 -2.299 1.994 1.00 0.00 H new ATOM 172 N THR A 12 -16.711 2.440 1.905 1.00 0.00 N ATOM 173 CA THR A 12 -15.506 3.247 1.747 1.00 0.00 C ATOM 174 C THR A 12 -14.348 2.664 2.553 1.00 0.00 C ATOM 175 O THR A 12 -14.447 2.534 3.774 1.00 0.00 O ATOM 176 CB THR A 12 -15.728 4.703 2.203 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.534 5.403 1.246 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.395 5.423 2.383 1.00 0.00 C ATOM 0 H THR A 12 -17.080 2.416 2.855 1.00 0.00 H new ATOM 0 HA THR A 12 -15.265 3.236 0.684 1.00 0.00 H new ATOM 0 HB THR A 12 -16.245 4.685 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.670 6.326 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.576 6.449 2.705 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.801 4.906 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.854 5.430 1.436 1.00 0.00 H new ATOM 186 N PRO A 13 -13.232 2.305 1.893 1.00 0.00 N ATOM 187 CA PRO A 13 -12.074 1.762 2.564 1.00 0.00 C ATOM 188 C PRO A 13 -11.026 2.832 2.843 1.00 0.00 C ATOM 189 O PRO A 13 -10.353 3.314 1.931 1.00 0.00 O ATOM 190 CB PRO A 13 -11.559 0.754 1.547 1.00 0.00 C ATOM 191 CG PRO A 13 -11.957 1.301 0.209 1.00 0.00 C ATOM 192 CD PRO A 13 -13.003 2.371 0.446 1.00 0.00 C ATOM 0 HA PRO A 13 -12.305 1.335 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.477 0.640 1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.995 -0.231 1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.092 1.718 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.356 0.509 -0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.648 3.355 0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.916 2.172 -0.115 1.00 0.00 H new ATOM 200 N CYS A 14 -10.910 3.194 4.111 1.00 0.00 N ATOM 201 CA CYS A 14 -9.946 4.196 4.556 1.00 0.00 C ATOM 202 C CYS A 14 -10.333 5.584 4.068 1.00 0.00 C ATOM 203 O CYS A 14 -10.928 5.739 3.002 1.00 0.00 O ATOM 204 CB CYS A 14 -8.530 3.836 4.099 1.00 0.00 C ATOM 205 SG CYS A 14 -7.764 5.026 2.953 1.00 0.00 S ATOM 0 H CYS A 14 -11.479 2.804 4.862 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.958 4.207 5.646 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.894 3.741 4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.557 2.858 3.618 1.00 0.00 H new ATOM 210 N SER A 15 -9.984 6.588 4.861 1.00 0.00 N ATOM 211 CA SER A 15 -10.304 7.972 4.529 1.00 0.00 C ATOM 212 C SER A 15 -9.599 8.944 5.468 1.00 0.00 C ATOM 213 O SER A 15 -9.183 8.571 6.565 1.00 0.00 O ATOM 214 CB SER A 15 -11.816 8.196 4.587 1.00 0.00 C ATOM 215 OG SER A 15 -12.323 7.932 5.884 1.00 0.00 O ATOM 0 H SER A 15 -9.479 6.471 5.739 1.00 0.00 H new ATOM 0 HA SER A 15 -9.951 8.161 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.045 9.224 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.310 7.550 3.862 1.00 0.00 H new ATOM 0 HG SER A 15 -13.291 8.084 5.894 1.00 0.00 H new ATOM 221 N GLY A 16 -9.473 10.194 5.028 1.00 0.00 N ATOM 222 CA GLY A 16 -8.826 11.208 5.839 1.00 0.00 C ATOM 223 C GLY A 16 -7.313 11.138 5.774 1.00 0.00 C ATOM 224 O GLY A 16 -6.662 12.065 5.293 1.00 0.00 O ATOM 0 H GLY A 16 -9.809 10.522 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.154 12.194 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.146 11.096 6.875 1.00 0.00 H new ATOM 228 N LEU A 17 -6.753 10.035 6.260 1.00 0.00 N ATOM 229 CA LEU A 17 -5.306 9.848 6.265 1.00 0.00 C ATOM 230 C LEU A 17 -4.778 9.571 4.861 1.00 0.00 C ATOM 231 O LEU A 17 -3.809 10.191 4.421 1.00 0.00 O ATOM 232 CB LEU A 17 -4.926 8.698 7.204 1.00 0.00 C ATOM 233 CG LEU A 17 -5.449 8.827 8.638 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.099 7.587 9.444 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.885 10.073 9.306 1.00 0.00 C ATOM 0 H LEU A 17 -7.280 9.256 6.656 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.849 10.771 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.300 7.766 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.839 8.620 7.236 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.534 8.921 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.478 7.695 10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.552 6.711 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.016 7.464 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.269 10.146 10.324 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.797 10.011 9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.185 10.956 8.741 1.00 0.00 H new ATOM 247 N TYR A 18 -5.415 8.636 4.161 1.00 0.00 N ATOM 248 CA TYR A 18 -4.996 8.281 2.809 1.00 0.00 C ATOM 249 C TYR A 18 -6.160 8.407 1.832 1.00 0.00 C ATOM 250 O TYR A 18 -6.003 8.899 0.715 1.00 0.00 O ATOM 251 CB TYR A 18 -4.440 6.853 2.806 1.00 0.00 C ATOM 252 CG TYR A 18 -3.499 6.584 3.962 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.235 7.163 4.015 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.883 5.754 5.009 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.384 6.920 5.077 1.00 0.00 C ATOM 256 CE2 TYR A 18 -3.037 5.510 6.074 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.789 6.094 6.102 1.00 0.00 C ATOM 258 OH TYR A 18 -0.945 5.855 7.162 1.00 0.00 O ATOM 0 H TYR A 18 -6.220 8.113 4.506 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.215 8.969 2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.269 6.146 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.915 6.675 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.914 7.812 3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.859 5.292 4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.405 7.376 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.352 4.865 6.881 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.295 6.295 7.964 1.00 0.00 H new ATOM 268 N GLY A 19 -7.323 7.957 2.276 1.00 0.00 N ATOM 269 CA GLY A 19 -8.533 8.045 1.475 1.00 0.00 C ATOM 270 C GLY A 19 -8.471 7.327 0.136 1.00 0.00 C ATOM 271 O GLY A 19 -9.444 7.367 -0.618 1.00 0.00 O ATOM 0 H GLY A 19 -7.454 7.525 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.363 7.636 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.757 9.097 1.296 1.00 0.00 H new ATOM 275 N THR A 20 -7.356 6.672 -0.179 1.00 0.00 N ATOM 276 CA THR A 20 -7.251 5.978 -1.461 1.00 0.00 C ATOM 277 C THR A 20 -6.759 4.539 -1.315 1.00 0.00 C ATOM 278 O THR A 20 -5.558 4.291 -1.198 1.00 0.00 O ATOM 279 CB THR A 20 -6.317 6.729 -2.427 1.00 0.00 C ATOM 280 OG1 THR A 20 -6.686 8.112 -2.489 1.00 0.00 O ATOM 281 CG2 THR A 20 -6.382 6.123 -3.822 1.00 0.00 C ATOM 0 H THR A 20 -6.532 6.607 0.418 1.00 0.00 H new ATOM 0 HA THR A 20 -8.262 5.953 -1.868 1.00 0.00 H new ATOM 0 HB THR A 20 -5.297 6.640 -2.054 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.880 8.668 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.714 6.670 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.076 5.078 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.403 6.187 -4.199 1.00 0.00 H new ATOM 289 N ALA A 21 -7.700 3.595 -1.325 1.00 0.00 N ATOM 290 CA ALA A 21 -7.369 2.174 -1.234 1.00 0.00 C ATOM 291 C ALA A 21 -6.599 1.717 -2.477 1.00 0.00 C ATOM 292 O ALA A 21 -6.808 2.251 -3.567 1.00 0.00 O ATOM 293 CB ALA A 21 -8.644 1.360 -1.067 1.00 0.00 C ATOM 0 H ALA A 21 -8.699 3.790 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.730 2.016 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.394 0.301 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.157 1.670 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.296 1.525 -1.925 1.00 0.00 H new ATOM 299 N GLN A 22 -5.713 0.727 -2.317 1.00 0.00 N ATOM 300 CA GLN A 22 -4.922 0.218 -3.440 1.00 0.00 C ATOM 301 C GLN A 22 -4.138 -1.025 -3.026 1.00 0.00 C ATOM 302 O GLN A 22 -4.120 -1.391 -1.854 1.00 0.00 O ATOM 303 CB GLN A 22 -3.967 1.303 -3.977 1.00 0.00 C ATOM 304 CG GLN A 22 -3.273 2.115 -2.892 1.00 0.00 C ATOM 305 CD GLN A 22 -2.153 2.987 -3.432 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.190 3.285 -2.728 1.00 0.00 O ATOM 307 NE2 GLN A 22 -2.275 3.403 -4.689 1.00 0.00 N ATOM 0 H GLN A 22 -5.527 0.266 -1.426 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.610 -0.057 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.209 0.828 -4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.529 1.981 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.008 2.745 -2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.869 1.437 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.090 3.133 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.553 3.992 -5.103 1.00 0.00 H new ATOM 316 N CYS A 23 -3.488 -1.671 -3.991 1.00 0.00 N ATOM 317 CA CYS A 23 -2.717 -2.881 -3.710 1.00 0.00 C ATOM 318 C CYS A 23 -1.224 -2.572 -3.629 1.00 0.00 C ATOM 319 O CYS A 23 -0.633 -2.075 -4.588 1.00 0.00 O ATOM 320 CB CYS A 23 -2.963 -3.935 -4.794 1.00 0.00 C ATOM 321 SG CYS A 23 -4.719 -4.331 -5.088 1.00 0.00 S ATOM 0 H CYS A 23 -3.479 -1.380 -4.969 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.047 -3.270 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.522 -3.586 -5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.440 -4.850 -4.517 1.00 0.00 H new ATOM 326 N CYS A 24 -0.617 -2.873 -2.481 1.00 0.00 N ATOM 327 CA CYS A 24 0.812 -2.625 -2.287 1.00 0.00 C ATOM 328 C CYS A 24 1.597 -3.932 -2.285 1.00 0.00 C ATOM 329 O CYS A 24 1.489 -4.733 -1.357 1.00 0.00 O ATOM 330 CB CYS A 24 1.056 -1.862 -0.979 1.00 0.00 C ATOM 331 SG CYS A 24 0.376 -0.172 -0.977 1.00 0.00 S ATOM 0 H CYS A 24 -1.088 -3.286 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 24 1.161 -2.014 -3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.615 -2.422 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.129 -1.812 -0.793 1.00 0.00 H new ATOM 336 N ALA A 25 2.386 -4.138 -3.336 1.00 0.00 N ATOM 337 CA ALA A 25 3.191 -5.345 -3.460 1.00 0.00 C ATOM 338 C ALA A 25 4.522 -5.183 -2.740 1.00 0.00 C ATOM 339 O ALA A 25 5.371 -4.393 -3.153 1.00 0.00 O ATOM 340 CB ALA A 25 3.416 -5.679 -4.926 1.00 0.00 C ATOM 0 H ALA A 25 2.484 -3.484 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 25 2.651 -6.168 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.019 -6.583 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.455 -5.840 -5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.936 -4.853 -5.412 1.00 0.00 H new ATOM 346 N THR A 26 4.697 -5.934 -1.658 1.00 0.00 N ATOM 347 CA THR A 26 5.925 -5.868 -0.879 1.00 0.00 C ATOM 348 C THR A 26 7.080 -6.533 -1.615 1.00 0.00 C ATOM 349 O THR A 26 6.870 -7.332 -2.529 1.00 0.00 O ATOM 350 CB THR A 26 5.769 -6.540 0.497 1.00 0.00 C ATOM 351 OG1 THR A 26 5.509 -7.939 0.334 1.00 0.00 O ATOM 352 CG2 THR A 26 4.642 -5.901 1.295 1.00 0.00 C ATOM 0 H THR A 26 4.005 -6.594 -1.302 1.00 0.00 H new ATOM 0 HA THR A 26 6.140 -4.809 -0.735 1.00 0.00 H new ATOM 0 HB THR A 26 6.701 -6.403 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.413 -8.359 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.555 -6.396 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.858 -4.843 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.705 -6.005 0.749 1.00 0.00 H new ATOM 360 N ASP A 27 8.296 -6.195 -1.208 1.00 0.00 N ATOM 361 CA ASP A 27 9.493 -6.762 -1.820 1.00 0.00 C ATOM 362 C ASP A 27 9.715 -8.195 -1.339 1.00 0.00 C ATOM 363 O ASP A 27 8.894 -8.741 -0.600 1.00 0.00 O ATOM 364 CB ASP A 27 10.713 -5.900 -1.489 1.00 0.00 C ATOM 365 CG ASP A 27 11.826 -6.057 -2.506 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.730 -5.445 -3.591 1.00 0.00 O ATOM 367 OD2 ASP A 27 12.795 -6.790 -2.218 1.00 0.00 O ATOM 0 H ASP A 27 8.481 -5.531 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 27 9.354 -6.778 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.413 -4.853 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.087 -6.169 -0.501 1.00 0.00 H new ATOM 372 N VAL A 28 10.823 -8.803 -1.758 1.00 0.00 N ATOM 373 CA VAL A 28 11.135 -10.175 -1.363 1.00 0.00 C ATOM 374 C VAL A 28 12.252 -10.221 -0.320 1.00 0.00 C ATOM 375 O VAL A 28 12.106 -10.851 0.727 1.00 0.00 O ATOM 376 CB VAL A 28 11.525 -11.039 -2.579 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.649 -10.388 -3.359 1.00 0.00 C ATOM 378 CG2 VAL A 28 11.913 -12.443 -2.140 1.00 0.00 C ATOM 0 H VAL A 28 11.517 -8.370 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 28 10.228 -10.585 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 28 10.658 -11.117 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.909 -11.014 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.327 -9.408 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.520 -10.273 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.184 -13.035 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.763 -12.390 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.070 -12.911 -1.632 1.00 0.00 H new ATOM 388 N LEU A 29 13.366 -9.555 -0.612 1.00 0.00 N ATOM 389 CA LEU A 29 14.503 -9.525 0.303 1.00 0.00 C ATOM 390 C LEU A 29 14.960 -8.092 0.537 1.00 0.00 C ATOM 391 O LEU A 29 15.298 -7.713 1.658 1.00 0.00 O ATOM 392 CB LEU A 29 15.656 -10.369 -0.249 1.00 0.00 C ATOM 393 CG LEU A 29 16.875 -10.493 0.667 1.00 0.00 C ATOM 394 CD1 LEU A 29 16.520 -11.235 1.946 1.00 0.00 C ATOM 395 CD2 LEU A 29 18.011 -11.194 -0.057 1.00 0.00 C ATOM 0 H LEU A 29 13.505 -9.029 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 29 14.189 -9.948 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.281 -11.370 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.978 -9.938 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 29 17.201 -9.489 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.403 -11.310 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.738 -10.692 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.164 -12.235 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.871 -11.275 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.690 -12.191 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.288 -10.620 -0.941 1.00 0.00 H new ATOM 407 N GLY A 30 14.970 -7.300 -0.531 1.00 0.00 N ATOM 408 CA GLY A 30 15.365 -5.909 -0.415 1.00 0.00 C ATOM 409 C GLY A 30 14.214 -5.052 0.066 1.00 0.00 C ATOM 410 O GLY A 30 14.050 -3.912 -0.372 1.00 0.00 O ATOM 0 H GLY A 30 14.712 -7.596 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 30 16.201 -5.822 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.714 -5.545 -1.382 1.00 0.00 H new ATOM 414 N VAL A 31 13.417 -5.613 0.971 1.00 0.00 N ATOM 415 CA VAL A 31 12.259 -4.925 1.524 1.00 0.00 C ATOM 416 C VAL A 31 12.616 -3.530 2.026 1.00 0.00 C ATOM 417 O VAL A 31 13.712 -3.297 2.538 1.00 0.00 O ATOM 418 CB VAL A 31 11.630 -5.736 2.671 1.00 0.00 C ATOM 419 CG1 VAL A 31 12.638 -5.941 3.787 1.00 0.00 C ATOM 420 CG2 VAL A 31 10.372 -5.055 3.192 1.00 0.00 C ATOM 0 H VAL A 31 13.557 -6.554 1.339 1.00 0.00 H new ATOM 0 HA VAL A 31 11.536 -4.826 0.715 1.00 0.00 H new ATOM 0 HB VAL A 31 11.343 -6.714 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.179 -6.516 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.502 -6.482 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.958 -4.972 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.946 -5.648 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.623 -4.061 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.645 -4.968 2.385 1.00 0.00 H new ATOM 430 N ALA A 32 11.661 -2.619 1.877 1.00 0.00 N ATOM 431 CA ALA A 32 11.817 -1.226 2.288 1.00 0.00 C ATOM 432 C ALA A 32 10.588 -0.429 1.873 1.00 0.00 C ATOM 433 O ALA A 32 10.080 0.402 2.627 1.00 0.00 O ATOM 434 CB ALA A 32 13.066 -0.617 1.670 1.00 0.00 C ATOM 0 H ALA A 32 10.751 -2.826 1.465 1.00 0.00 H new ATOM 0 HA ALA A 32 11.922 -1.192 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.161 0.421 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.943 -1.179 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.990 -0.656 0.583 1.00 0.00 H new ATOM 440 N ASP A 33 10.122 -0.696 0.657 1.00 0.00 N ATOM 441 CA ASP A 33 8.947 -0.030 0.110 1.00 0.00 C ATOM 442 C ASP A 33 8.097 -1.030 -0.672 1.00 0.00 C ATOM 443 O ASP A 33 8.591 -2.083 -1.076 1.00 0.00 O ATOM 444 CB ASP A 33 9.370 1.123 -0.801 1.00 0.00 C ATOM 445 CG ASP A 33 10.261 2.126 -0.093 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.489 1.903 -0.051 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.732 3.135 0.417 1.00 0.00 O ATOM 0 H ASP A 33 10.546 -1.377 0.027 1.00 0.00 H new ATOM 0 HA ASP A 33 8.355 0.372 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.896 0.723 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.481 1.632 -1.175 1.00 0.00 H new ATOM 452 N LEU A 34 6.824 -0.705 -0.888 1.00 0.00 N ATOM 453 CA LEU A 34 5.935 -1.600 -1.629 1.00 0.00 C ATOM 454 C LEU A 34 5.339 -0.879 -2.833 1.00 0.00 C ATOM 455 O LEU A 34 4.862 0.249 -2.716 1.00 0.00 O ATOM 456 CB LEU A 34 4.791 -2.144 -0.752 1.00 0.00 C ATOM 457 CG LEU A 34 4.911 -1.918 0.756 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.630 -2.364 1.459 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.109 -2.678 1.307 1.00 0.00 C ATOM 0 H LEU A 34 6.388 0.159 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 34 6.541 -2.444 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.859 -1.691 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.707 -3.216 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 34 5.058 -0.854 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.727 -2.198 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.787 -1.788 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.461 -3.424 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.184 -2.509 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.984 -3.744 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.018 -2.326 0.820 1.00 0.00 H new ATOM 471 N ASP A 35 5.369 -1.535 -3.988 1.00 0.00 N ATOM 472 CA ASP A 35 4.819 -0.951 -5.205 1.00 0.00 C ATOM 473 C ASP A 35 3.300 -0.880 -5.108 1.00 0.00 C ATOM 474 O ASP A 35 2.606 -1.872 -5.331 1.00 0.00 O ATOM 475 CB ASP A 35 5.229 -1.778 -6.426 1.00 0.00 C ATOM 476 CG ASP A 35 6.732 -1.819 -6.618 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.267 -0.930 -7.313 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.375 -2.742 -6.074 1.00 0.00 O ATOM 0 H ASP A 35 5.766 -2.467 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 35 5.216 0.058 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.852 -2.795 -6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.763 -1.360 -7.318 1.00 0.00 H new ATOM 483 N CYS A 36 2.790 0.301 -4.775 1.00 0.00 N ATOM 484 CA CYS A 36 1.353 0.497 -4.630 1.00 0.00 C ATOM 485 C CYS A 36 0.726 1.040 -5.911 1.00 0.00 C ATOM 486 O CYS A 36 1.042 2.146 -6.348 1.00 0.00 O ATOM 487 CB CYS A 36 1.070 1.445 -3.461 1.00 0.00 C ATOM 488 SG CYS A 36 1.824 0.929 -1.883 1.00 0.00 S ATOM 0 H CYS A 36 3.350 1.136 -4.601 1.00 0.00 H new ATOM 0 HA CYS A 36 0.902 -0.474 -4.427 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.435 2.440 -3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.009 1.526 -3.326 1.00 0.00 H new ATOM 493 N ALA A 37 -0.166 0.249 -6.505 1.00 0.00 N ATOM 494 CA ALA A 37 -0.847 0.648 -7.730 1.00 0.00 C ATOM 495 C ALA A 37 -2.330 0.890 -7.469 1.00 0.00 C ATOM 496 O ALA A 37 -3.001 0.070 -6.842 1.00 0.00 O ATOM 497 CB ALA A 37 -0.663 -0.410 -8.807 1.00 0.00 C ATOM 0 H ALA A 37 -0.432 -0.672 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.405 1.581 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.177 -0.097 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.399 -0.535 -9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.079 -1.357 -8.462 1.00 0.00 H new ATOM 503 N ASN A 38 -2.833 2.018 -7.955 1.00 0.00 N ATOM 504 CA ASN A 38 -4.237 2.373 -7.771 1.00 0.00 C ATOM 505 C ASN A 38 -5.133 1.568 -8.714 1.00 0.00 C ATOM 506 O ASN A 38 -5.063 1.734 -9.931 1.00 0.00 O ATOM 507 CB ASN A 38 -4.438 3.875 -8.005 1.00 0.00 C ATOM 508 CG ASN A 38 -5.894 4.274 -8.216 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.177 5.273 -8.878 1.00 0.00 O ATOM 510 ND2 ASN A 38 -6.828 3.501 -7.667 1.00 0.00 N ATOM 0 H ASN A 38 -2.290 2.704 -8.480 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.518 2.132 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.041 4.423 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.858 4.179 -8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.815 3.729 -7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.557 2.681 -7.125 1.00 0.00 H new ATOM 517 N PRO A 39 -5.988 0.681 -8.164 1.00 0.00 N ATOM 518 CA PRO A 39 -6.894 -0.138 -8.970 1.00 0.00 C ATOM 519 C PRO A 39 -8.158 0.618 -9.382 1.00 0.00 C ATOM 520 O PRO A 39 -9.023 0.886 -8.547 1.00 0.00 O ATOM 521 CB PRO A 39 -7.249 -1.283 -8.023 1.00 0.00 C ATOM 522 CG PRO A 39 -7.182 -0.680 -6.661 1.00 0.00 C ATOM 523 CD PRO A 39 -6.130 0.397 -6.721 1.00 0.00 C ATOM 0 HA PRO A 39 -6.437 -0.455 -9.907 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.243 -1.677 -8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.549 -2.112 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.147 -0.264 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.925 -1.433 -5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.436 1.285 -6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.189 0.060 -6.286 1.00 0.00 H new ATOM 531 N PRO A 40 -8.290 0.977 -10.676 1.00 0.00 N ATOM 532 CA PRO A 40 -9.466 1.700 -11.165 1.00 0.00 C ATOM 533 C PRO A 40 -10.685 0.792 -11.286 1.00 0.00 C ATOM 534 O PRO A 40 -10.754 -0.053 -12.181 1.00 0.00 O ATOM 535 CB PRO A 40 -9.023 2.190 -12.543 1.00 0.00 C ATOM 536 CG PRO A 40 -8.029 1.178 -12.996 1.00 0.00 C ATOM 537 CD PRO A 40 -7.317 0.710 -11.755 1.00 0.00 C ATOM 0 HA PRO A 40 -9.772 2.500 -10.491 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.866 2.255 -13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.580 3.184 -12.487 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.521 0.346 -13.500 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.327 1.612 -13.708 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.063 -0.348 -11.813 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.385 1.253 -11.598 1.00 0.00 H new ATOM 545 N ALA A 41 -11.650 0.987 -10.388 1.00 0.00 N ATOM 546 CA ALA A 41 -12.874 0.189 -10.375 1.00 0.00 C ATOM 547 C ALA A 41 -13.752 0.571 -9.191 1.00 0.00 C ATOM 548 O ALA A 41 -13.377 1.413 -8.373 1.00 0.00 O ATOM 549 CB ALA A 41 -12.544 -1.296 -10.318 1.00 0.00 C ATOM 0 H ALA A 41 -11.606 1.696 -9.656 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.420 0.393 -11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.468 -1.874 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.952 -1.571 -11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.975 -1.508 -9.413 1.00 0.00 H new ATOM 555 N THR A 42 -14.921 -0.054 -9.103 1.00 0.00 N ATOM 556 CA THR A 42 -15.851 0.218 -8.013 1.00 0.00 C ATOM 557 C THR A 42 -15.804 -0.900 -6.975 1.00 0.00 C ATOM 558 O THR A 42 -16.447 -1.938 -7.134 1.00 0.00 O ATOM 559 CB THR A 42 -17.298 0.379 -8.534 1.00 0.00 C ATOM 560 OG1 THR A 42 -17.402 1.570 -9.321 1.00 0.00 O ATOM 561 CG2 THR A 42 -18.315 0.431 -7.393 1.00 0.00 C ATOM 0 H THR A 42 -15.247 -0.751 -9.772 1.00 0.00 H new ATOM 0 HA THR A 42 -15.544 1.155 -7.548 1.00 0.00 H new ATOM 0 HB THR A 42 -17.525 -0.494 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.320 1.666 -9.650 1.00 0.00 H new ATOM 0 HG21 THR A 42 -19.318 0.545 -7.804 1.00 0.00 H new ATOM 0 HG22 THR A 42 -18.262 -0.492 -6.816 1.00 0.00 H new ATOM 0 HG23 THR A 42 -18.091 1.278 -6.744 1.00 0.00 H new ATOM 569 N LEU A 43 -15.036 -0.677 -5.913 1.00 0.00 N ATOM 570 CA LEU A 43 -14.899 -1.660 -4.844 1.00 0.00 C ATOM 571 C LEU A 43 -16.258 -1.957 -4.213 1.00 0.00 C ATOM 572 O LEU A 43 -16.731 -1.213 -3.354 1.00 0.00 O ATOM 573 CB LEU A 43 -13.923 -1.142 -3.777 1.00 0.00 C ATOM 574 CG LEU A 43 -12.690 -0.406 -4.320 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.895 0.218 -3.182 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.810 -1.348 -5.129 1.00 0.00 C ATOM 0 H LEU A 43 -14.498 0.178 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.505 -2.584 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.463 -0.470 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.586 -1.986 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.034 0.391 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.025 0.735 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.523 0.930 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.566 -0.563 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.943 -0.804 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.477 -2.170 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.379 -1.746 -5.969 1.00 0.00 H new ATOM 588 N ALA A 44 -16.882 -3.051 -4.651 1.00 0.00 N ATOM 589 CA ALA A 44 -18.191 -3.451 -4.138 1.00 0.00 C ATOM 590 C ALA A 44 -18.186 -3.542 -2.617 1.00 0.00 C ATOM 591 O ALA A 44 -19.124 -3.095 -1.956 1.00 0.00 O ATOM 592 CB ALA A 44 -18.612 -4.782 -4.744 1.00 0.00 C ATOM 0 H ALA A 44 -16.501 -3.676 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.912 -2.686 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.589 -5.067 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.669 -4.686 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.880 -5.547 -4.486 1.00 0.00 H new ATOM 598 N ASN A 45 -17.126 -4.126 -2.070 1.00 0.00 N ATOM 599 CA ASN A 45 -16.991 -4.271 -0.626 1.00 0.00 C ATOM 600 C ASN A 45 -15.537 -4.538 -0.248 1.00 0.00 C ATOM 601 O ASN A 45 -14.633 -4.340 -1.061 1.00 0.00 O ATOM 602 CB ASN A 45 -17.904 -5.390 -0.103 1.00 0.00 C ATOM 603 CG ASN A 45 -17.818 -6.664 -0.926 1.00 0.00 C ATOM 604 OD1 ASN A 45 -18.831 -7.306 -1.197 1.00 0.00 O ATOM 605 ND2 ASN A 45 -16.607 -7.045 -1.311 1.00 0.00 N ATOM 0 H ASN A 45 -16.346 -4.507 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.300 -3.336 -0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.639 -5.614 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.935 -5.037 -0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.490 -7.901 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.793 -6.482 -1.064 1.00 0.00 H new ATOM 612 N ALA A 46 -15.312 -4.988 0.980 1.00 0.00 N ATOM 613 CA ALA A 46 -13.961 -5.261 1.451 1.00 0.00 C ATOM 614 C ALA A 46 -13.390 -6.534 0.838 1.00 0.00 C ATOM 615 O ALA A 46 -12.306 -6.516 0.259 1.00 0.00 O ATOM 616 CB ALA A 46 -13.942 -5.344 2.968 1.00 0.00 C ATOM 0 H ALA A 46 -16.045 -5.171 1.665 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.326 -4.435 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.927 -5.548 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.282 -4.398 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.603 -6.146 3.297 1.00 0.00 H new ATOM 622 N THR A 47 -14.117 -7.635 0.969 1.00 0.00 N ATOM 623 CA THR A 47 -13.670 -8.912 0.424 1.00 0.00 C ATOM 624 C THR A 47 -13.385 -8.808 -1.074 1.00 0.00 C ATOM 625 O THR A 47 -12.686 -9.649 -1.641 1.00 0.00 O ATOM 626 CB THR A 47 -14.717 -10.018 0.661 1.00 0.00 C ATOM 627 OG1 THR A 47 -15.093 -10.049 2.044 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.169 -11.379 0.254 1.00 0.00 C ATOM 0 H THR A 47 -15.017 -7.671 1.447 1.00 0.00 H new ATOM 0 HA THR A 47 -12.749 -9.172 0.946 1.00 0.00 H new ATOM 0 HB THR A 47 -15.591 -9.795 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.760 -10.753 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.926 -12.143 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.908 -11.364 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.281 -11.605 0.844 1.00 0.00 H new ATOM 636 N HIS A 48 -13.918 -7.769 -1.706 1.00 0.00 N ATOM 637 CA HIS A 48 -13.739 -7.576 -3.141 1.00 0.00 C ATOM 638 C HIS A 48 -12.339 -7.076 -3.473 1.00 0.00 C ATOM 639 O HIS A 48 -11.636 -7.697 -4.270 1.00 0.00 O ATOM 640 CB HIS A 48 -14.789 -6.608 -3.690 1.00 0.00 C ATOM 641 CG HIS A 48 -14.753 -6.461 -5.181 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.595 -7.156 -6.024 1.00 0.00 N ATOM 643 CD2 HIS A 48 -13.973 -5.693 -5.980 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.336 -6.821 -7.275 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.357 -5.936 -7.276 1.00 0.00 N ATOM 0 H HIS A 48 -14.477 -7.048 -1.249 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.868 -8.548 -3.618 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.779 -6.953 -3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.641 -5.629 -3.234 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.195 -5.017 -5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.840 -7.206 -8.149 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.951 -5.503 -8.105 1.00 0.00 H new ATOM 654 N PHE A 49 -11.925 -5.962 -2.873 1.00 0.00 N ATOM 655 CA PHE A 49 -10.597 -5.435 -3.158 1.00 0.00 C ATOM 656 C PHE A 49 -9.553 -6.176 -2.338 1.00 0.00 C ATOM 657 O PHE A 49 -8.360 -6.125 -2.636 1.00 0.00 O ATOM 658 CB PHE A 49 -10.525 -3.911 -2.983 1.00 0.00 C ATOM 659 CG PHE A 49 -10.424 -3.395 -1.580 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.256 -3.859 -0.578 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.502 -2.407 -1.278 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.165 -3.348 0.702 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.414 -1.888 -0.005 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.244 -2.360 0.987 1.00 0.00 C ATOM 0 H PHE A 49 -12.474 -5.421 -2.205 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.376 -5.613 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.664 -3.545 -3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.412 -3.474 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.983 -4.627 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.843 -2.039 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.814 -3.721 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.695 -1.112 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.175 -1.958 1.987 1.00 0.00 H new ATOM 674 N GLU A 50 -10.009 -6.860 -1.293 1.00 0.00 N ATOM 675 CA GLU A 50 -9.116 -7.663 -0.471 1.00 0.00 C ATOM 676 C GLU A 50 -8.596 -8.827 -1.306 1.00 0.00 C ATOM 677 O GLU A 50 -7.444 -9.240 -1.174 1.00 0.00 O ATOM 678 CB GLU A 50 -9.852 -8.205 0.762 1.00 0.00 C ATOM 679 CG GLU A 50 -9.620 -7.413 2.041 1.00 0.00 C ATOM 680 CD GLU A 50 -8.170 -7.443 2.489 1.00 0.00 C ATOM 681 OE1 GLU A 50 -7.338 -6.758 1.860 1.00 0.00 O ATOM 682 OE2 GLU A 50 -7.868 -8.153 3.470 1.00 0.00 O ATOM 0 H GLU A 50 -10.985 -6.873 -0.998 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.288 -7.041 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.921 -8.223 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.542 -9.237 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.927 -6.379 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.250 -7.816 2.834 1.00 0.00 H new ATOM 689 N SER A 51 -9.467 -9.349 -2.171 1.00 0.00 N ATOM 690 CA SER A 51 -9.110 -10.459 -3.046 1.00 0.00 C ATOM 691 C SER A 51 -8.385 -9.967 -4.298 1.00 0.00 C ATOM 692 O SER A 51 -7.496 -10.647 -4.812 1.00 0.00 O ATOM 693 CB SER A 51 -10.362 -11.240 -3.448 1.00 0.00 C ATOM 694 OG SER A 51 -11.039 -11.743 -2.310 1.00 0.00 O ATOM 0 H SER A 51 -10.425 -9.018 -2.282 1.00 0.00 H new ATOM 0 HA SER A 51 -8.436 -11.114 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.031 -10.593 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.084 -12.065 -4.104 1.00 0.00 H new ATOM 0 HG SER A 51 -11.665 -11.067 -1.977 1.00 0.00 H new ATOM 700 N THR A 52 -8.765 -8.786 -4.788 1.00 0.00 N ATOM 701 CA THR A 52 -8.144 -8.229 -5.986 1.00 0.00 C ATOM 702 C THR A 52 -6.641 -8.040 -5.785 1.00 0.00 C ATOM 703 O THR A 52 -5.858 -8.174 -6.725 1.00 0.00 O ATOM 704 CB THR A 52 -8.791 -6.888 -6.406 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.686 -6.723 -7.825 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.132 -5.700 -5.717 1.00 0.00 C ATOM 0 H THR A 52 -9.494 -8.203 -4.377 1.00 0.00 H new ATOM 0 HA THR A 52 -8.309 -8.947 -6.789 1.00 0.00 H new ATOM 0 HB THR A 52 -9.838 -6.920 -6.104 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.098 -5.873 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.616 -4.778 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.233 -5.804 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.075 -5.667 -5.981 1.00 0.00 H new ATOM 714 N CYS A 53 -6.247 -7.727 -4.553 1.00 0.00 N ATOM 715 CA CYS A 53 -4.836 -7.540 -4.231 1.00 0.00 C ATOM 716 C CYS A 53 -4.188 -8.884 -3.909 1.00 0.00 C ATOM 717 O CYS A 53 -3.117 -9.208 -4.421 1.00 0.00 O ATOM 718 CB CYS A 53 -4.673 -6.589 -3.041 1.00 0.00 C ATOM 719 SG CYS A 53 -5.412 -4.938 -3.278 1.00 0.00 S ATOM 0 H CYS A 53 -6.882 -7.598 -3.765 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.343 -7.101 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.121 -7.050 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.610 -6.470 -2.832 1.00 0.00 H new ATOM 724 N ALA A 54 -4.853 -9.662 -3.057 1.00 0.00 N ATOM 725 CA ALA A 54 -4.356 -10.975 -2.660 1.00 0.00 C ATOM 726 C ALA A 54 -4.240 -11.917 -3.856 1.00 0.00 C ATOM 727 O ALA A 54 -3.601 -12.966 -3.766 1.00 0.00 O ATOM 728 CB ALA A 54 -5.264 -11.579 -1.602 1.00 0.00 C ATOM 0 H ALA A 54 -5.741 -9.403 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.357 -10.842 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.884 -12.559 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.289 -10.927 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.271 -11.685 -2.005 1.00 0.00 H new ATOM 734 N ALA A 55 -4.867 -11.544 -4.971 1.00 0.00 N ATOM 735 CA ALA A 55 -4.829 -12.361 -6.181 1.00 0.00 C ATOM 736 C ALA A 55 -3.398 -12.758 -6.523 1.00 0.00 C ATOM 737 O ALA A 55 -3.109 -13.930 -6.766 1.00 0.00 O ATOM 738 CB ALA A 55 -5.462 -11.618 -7.347 1.00 0.00 C ATOM 0 H ALA A 55 -5.406 -10.683 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.402 -13.269 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.424 -12.242 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.500 -11.386 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.916 -10.692 -7.528 1.00 0.00 H new ATOM 744 N ILE A 56 -2.510 -11.771 -6.539 1.00 0.00 N ATOM 745 CA ILE A 56 -1.103 -12.017 -6.841 1.00 0.00 C ATOM 746 C ILE A 56 -0.322 -12.293 -5.560 1.00 0.00 C ATOM 747 O ILE A 56 0.858 -12.645 -5.600 1.00 0.00 O ATOM 748 CB ILE A 56 -0.465 -10.825 -7.584 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.633 -9.540 -6.767 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.088 -10.674 -8.966 1.00 0.00 C ATOM 751 CD1 ILE A 56 -0.070 -8.307 -7.442 1.00 0.00 C ATOM 0 H ILE A 56 -2.737 -10.795 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.059 -12.891 -7.491 1.00 0.00 H new ATOM 0 HB ILE A 56 0.601 -11.014 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.693 -9.382 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.145 -9.669 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.630 -9.830 -9.481 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.921 -11.584 -9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.159 -10.500 -8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.227 -7.438 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.998 -8.442 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.575 -8.152 -8.395 1.00 0.00 H new ATOM 763 N GLY A 57 -0.996 -12.130 -4.423 1.00 0.00 N ATOM 764 CA GLY A 57 -0.364 -12.365 -3.136 1.00 0.00 C ATOM 765 C GLY A 57 -0.145 -11.082 -2.356 1.00 0.00 C ATOM 766 O GLY A 57 0.689 -11.037 -1.451 1.00 0.00 O ATOM 0 H GLY A 57 -1.972 -11.838 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.983 -13.043 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.594 -12.861 -3.290 1.00 0.00 H new ATOM 770 N GLN A 58 -0.892 -10.035 -2.707 1.00 0.00 N ATOM 771 CA GLN A 58 -0.767 -8.746 -2.033 1.00 0.00 C ATOM 772 C GLN A 58 -1.908 -8.533 -1.041 1.00 0.00 C ATOM 773 O GLN A 58 -2.559 -9.487 -0.615 1.00 0.00 O ATOM 774 CB GLN A 58 -0.744 -7.609 -3.060 1.00 0.00 C ATOM 775 CG GLN A 58 0.524 -7.556 -3.903 1.00 0.00 C ATOM 776 CD GLN A 58 1.588 -8.531 -3.434 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.377 -8.226 -2.540 1.00 0.00 O ATOM 778 NE2 GLN A 58 1.621 -9.708 -4.044 1.00 0.00 N ATOM 0 H GLN A 58 -1.588 -10.056 -3.452 1.00 0.00 H new ATOM 0 HA GLN A 58 0.172 -8.744 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.603 -7.715 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.860 -6.660 -2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.273 -7.772 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.929 -6.544 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.948 -9.920 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.320 -10.402 -3.777 1.00 0.00 H new ATOM 787 N ARG A 59 -2.145 -7.274 -0.675 1.00 0.00 N ATOM 788 CA ARG A 59 -3.204 -6.937 0.272 1.00 0.00 C ATOM 789 C ARG A 59 -3.673 -5.501 0.083 1.00 0.00 C ATOM 790 O ARG A 59 -2.950 -4.658 -0.448 1.00 0.00 O ATOM 791 CB ARG A 59 -2.719 -7.134 1.710 1.00 0.00 C ATOM 792 CG ARG A 59 -1.653 -6.139 2.137 1.00 0.00 C ATOM 793 CD ARG A 59 -0.298 -6.476 1.533 1.00 0.00 C ATOM 794 NE ARG A 59 0.103 -7.849 1.828 1.00 0.00 N ATOM 795 CZ ARG A 59 1.203 -8.418 1.344 1.00 0.00 C ATOM 796 NH1 ARG A 59 2.014 -7.735 0.548 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.492 -9.673 1.659 1.00 0.00 N ATOM 0 H ARG A 59 -1.618 -6.472 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.044 -7.605 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.571 -7.053 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.324 -8.144 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.948 -5.135 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.576 -6.132 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.336 -6.333 0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.453 -5.787 1.919 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.495 -8.403 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.795 -6.769 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.857 -8.176 0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.871 -10.201 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.336 -10.111 1.288 1.00 0.00 H new ATOM 811 N ALA A 60 -4.894 -5.239 0.528 1.00 0.00 N ATOM 812 CA ALA A 60 -5.486 -3.911 0.425 1.00 0.00 C ATOM 813 C ALA A 60 -4.819 -2.937 1.398 1.00 0.00 C ATOM 814 O ALA A 60 -4.745 -3.199 2.599 1.00 0.00 O ATOM 815 CB ALA A 60 -6.986 -3.984 0.686 1.00 0.00 C ATOM 0 H ALA A 60 -5.498 -5.934 0.967 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.322 -3.540 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.418 -2.986 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.452 -4.641 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.162 -4.377 1.687 1.00 0.00 H new ATOM 821 N ARG A 61 -4.338 -1.814 0.870 1.00 0.00 N ATOM 822 CA ARG A 61 -3.670 -0.800 1.681 1.00 0.00 C ATOM 823 C ARG A 61 -4.192 0.595 1.335 1.00 0.00 C ATOM 824 O ARG A 61 -5.080 0.747 0.497 1.00 0.00 O ATOM 825 CB ARG A 61 -2.157 -0.847 1.448 1.00 0.00 C ATOM 826 CG ARG A 61 -1.546 -2.222 1.666 1.00 0.00 C ATOM 827 CD ARG A 61 -1.351 -2.529 3.139 1.00 0.00 C ATOM 828 NE ARG A 61 -0.122 -1.945 3.671 1.00 0.00 N ATOM 829 CZ ARG A 61 0.307 -2.138 4.915 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.406 -2.872 5.760 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.449 -1.597 5.318 1.00 0.00 N ATOM 0 H ARG A 61 -4.399 -1.583 -0.122 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.882 -1.010 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.945 -0.523 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.673 -0.134 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.190 -2.980 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.586 -2.278 1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.204 -2.150 3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.329 -3.609 3.282 1.00 0.00 H new ATOM 0 HE ARG A 61 0.438 -1.357 3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.285 -3.290 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.075 -3.018 6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.001 -1.031 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.775 -1.747 6.273 1.00 0.00 H new ATOM 845 N CYS A 62 -3.633 1.608 1.990 1.00 0.00 N ATOM 846 CA CYS A 62 -4.018 2.995 1.745 1.00 0.00 C ATOM 847 C CYS A 62 -2.827 3.918 2.011 1.00 0.00 C ATOM 848 O CYS A 62 -2.313 3.957 3.128 1.00 0.00 O ATOM 849 CB CYS A 62 -5.205 3.392 2.628 1.00 0.00 C ATOM 850 SG CYS A 62 -6.706 3.837 1.690 1.00 0.00 S ATOM 0 H CYS A 62 -2.908 1.494 2.698 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.321 3.094 0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.439 2.565 3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.915 4.237 3.252 1.00 0.00 H new ATOM 855 N CYS A 63 -2.387 4.661 0.991 1.00 0.00 N ATOM 856 CA CYS A 63 -1.241 5.554 1.143 1.00 0.00 C ATOM 857 C CYS A 63 -1.599 6.986 0.772 1.00 0.00 C ATOM 858 O CYS A 63 -2.667 7.251 0.221 1.00 0.00 O ATOM 859 CB CYS A 63 -0.083 5.073 0.268 1.00 0.00 C ATOM 860 SG CYS A 63 -0.011 3.266 0.057 1.00 0.00 S ATOM 0 H CYS A 63 -2.804 4.661 0.060 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.942 5.537 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.165 5.540 -0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.855 5.415 0.706 1.00 0.00 H new ATOM 865 N LYS A 64 -0.693 7.909 1.081 1.00 0.00 N ATOM 866 CA LYS A 64 -0.910 9.322 0.780 1.00 0.00 C ATOM 867 C LYS A 64 -0.277 9.700 -0.561 1.00 0.00 C ATOM 868 O LYS A 64 0.294 8.851 -1.246 1.00 0.00 O ATOM 869 CB LYS A 64 -0.362 10.197 1.924 1.00 0.00 C ATOM 870 CG LYS A 64 0.984 10.864 1.643 1.00 0.00 C ATOM 871 CD LYS A 64 2.121 9.857 1.553 1.00 0.00 C ATOM 872 CE LYS A 64 2.572 9.396 2.928 1.00 0.00 C ATOM 873 NZ LYS A 64 4.020 9.048 2.946 1.00 0.00 N ATOM 0 H LYS A 64 0.196 7.706 1.538 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.982 9.500 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.094 10.972 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.265 9.580 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.922 11.423 0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.201 11.584 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.799 8.996 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.963 10.305 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.378 10.183 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.986 8.529 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.275 8.674 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.213 8.328 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.584 9.899 2.748 1.00 0.00 H new ATOM 887 N ASP A 65 -0.401 10.979 -0.928 1.00 0.00 N ATOM 888 CA ASP A 65 0.153 11.498 -2.180 1.00 0.00 C ATOM 889 C ASP A 65 -0.668 11.036 -3.379 1.00 0.00 C ATOM 890 O ASP A 65 -0.364 11.382 -4.522 1.00 0.00 O ATOM 891 CB ASP A 65 1.618 11.078 -2.346 1.00 0.00 C ATOM 892 CG ASP A 65 2.302 11.805 -3.488 1.00 0.00 C ATOM 893 OD1 ASP A 65 2.830 12.912 -3.256 1.00 0.00 O ATOM 894 OD2 ASP A 65 2.310 11.265 -4.616 1.00 0.00 O ATOM 0 H ASP A 65 -0.886 11.680 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 65 0.108 12.586 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.157 11.275 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.667 10.003 -2.522 1.00 0.00 H new ATOM 899 N ASP A 66 -1.711 10.256 -3.116 1.00 0.00 N ATOM 900 CA ASP A 66 -2.580 9.760 -4.175 1.00 0.00 C ATOM 901 C ASP A 66 -3.950 10.425 -4.096 1.00 0.00 C ATOM 902 O ASP A 66 -4.951 9.869 -4.549 1.00 0.00 O ATOM 903 CB ASP A 66 -2.727 8.238 -4.089 1.00 0.00 C ATOM 904 CG ASP A 66 -3.079 7.761 -2.694 1.00 0.00 C ATOM 905 OD1 ASP A 66 -3.812 8.481 -1.985 1.00 0.00 O ATOM 906 OD2 ASP A 66 -2.618 6.665 -2.311 1.00 0.00 O ATOM 0 H ASP A 66 -1.975 9.954 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.123 10.009 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.500 7.912 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.795 7.769 -4.404 1.00 0.00 H new ATOM 911 N VAL A 67 -3.980 11.621 -3.516 1.00 0.00 N ATOM 912 CA VAL A 67 -5.222 12.371 -3.368 1.00 0.00 C ATOM 913 C VAL A 67 -5.133 13.736 -4.049 1.00 0.00 C ATOM 914 O VAL A 67 -6.078 14.175 -4.704 1.00 0.00 O ATOM 915 CB VAL A 67 -5.584 12.561 -1.880 1.00 0.00 C ATOM 916 CG1 VAL A 67 -5.617 11.218 -1.174 1.00 0.00 C ATOM 917 CG2 VAL A 67 -4.606 13.502 -1.191 1.00 0.00 C ATOM 0 H VAL A 67 -3.157 12.092 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.006 11.788 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.575 13.012 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.873 11.365 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.364 10.578 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.637 10.745 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.887 13.616 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.599 13.090 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.631 14.475 -1.681 1.00 0.00 H new ATOM 927 N THR A 68 -3.992 14.402 -3.888 1.00 0.00 N ATOM 928 CA THR A 68 -3.782 15.716 -4.489 1.00 0.00 C ATOM 929 C THR A 68 -3.376 15.588 -5.954 1.00 0.00 C ATOM 930 O THR A 68 -3.036 16.577 -6.604 1.00 0.00 O ATOM 931 CB THR A 68 -2.712 16.531 -3.729 1.00 0.00 C ATOM 932 OG1 THR A 68 -2.761 17.902 -4.142 1.00 0.00 O ATOM 933 CG2 THR A 68 -1.311 15.981 -3.971 1.00 0.00 C ATOM 0 H THR A 68 -3.200 14.054 -3.347 1.00 0.00 H new ATOM 0 HA THR A 68 -4.731 16.248 -4.423 1.00 0.00 H new ATOM 0 HB THR A 68 -2.930 16.453 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.789 17.948 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.585 16.579 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.262 14.947 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.083 16.023 -5.036 1.00 0.00 H new ATOM 941 N ASN A 69 -3.417 14.361 -6.466 1.00 0.00 N ATOM 942 CA ASN A 69 -3.059 14.096 -7.850 1.00 0.00 C ATOM 943 C ASN A 69 -4.152 13.286 -8.537 1.00 0.00 C ATOM 944 O ASN A 69 -4.226 12.067 -8.384 1.00 0.00 O ATOM 945 CB ASN A 69 -1.733 13.340 -7.919 1.00 0.00 C ATOM 946 CG ASN A 69 -0.580 14.139 -7.344 1.00 0.00 C ATOM 947 OD1 ASN A 69 0.061 14.918 -8.049 1.00 0.00 O ATOM 948 ND2 ASN A 69 -0.311 13.950 -6.058 1.00 0.00 N ATOM 0 H ASN A 69 -3.696 13.534 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.951 15.050 -8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.826 12.399 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.515 13.089 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.453 14.461 -5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.869 13.294 -5.511 1.00 0.00 H new ATOM 955 N THR A 70 -4.999 13.977 -9.291 1.00 0.00 N ATOM 956 CA THR A 70 -6.094 13.329 -10.007 1.00 0.00 C ATOM 957 C THR A 70 -5.576 12.218 -10.915 1.00 0.00 C ATOM 958 O THR A 70 -6.275 11.237 -11.173 1.00 0.00 O ATOM 959 CB THR A 70 -6.886 14.340 -10.859 1.00 0.00 C ATOM 960 OG1 THR A 70 -7.193 15.503 -10.080 1.00 0.00 O ATOM 961 CG2 THR A 70 -8.176 13.718 -11.373 1.00 0.00 C ATOM 0 H THR A 70 -4.949 14.987 -9.423 1.00 0.00 H new ATOM 0 HA THR A 70 -6.755 12.903 -9.252 1.00 0.00 H new ATOM 0 HB THR A 70 -6.270 14.625 -11.712 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.695 16.141 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.719 14.449 -11.972 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.941 12.849 -11.987 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.793 13.410 -10.529 1.00 0.00 H new ATOM 969 N GLY A 71 -4.346 12.377 -11.393 1.00 0.00 N ATOM 970 CA GLY A 71 -3.756 11.384 -12.271 1.00 0.00 C ATOM 971 C GLY A 71 -2.763 10.486 -11.557 1.00 0.00 C ATOM 972 O GLY A 71 -1.737 10.113 -12.126 1.00 0.00 O ATOM 0 H GLY A 71 -3.747 13.177 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.547 10.772 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.255 11.888 -13.097 1.00 0.00 H new ATOM 976 N ASN A 72 -3.065 10.138 -10.310 1.00 0.00 N ATOM 977 CA ASN A 72 -2.187 9.274 -9.528 1.00 0.00 C ATOM 978 C ASN A 72 -2.559 7.807 -9.724 1.00 0.00 C ATOM 979 O ASN A 72 -3.735 7.446 -9.673 1.00 0.00 O ATOM 980 CB ASN A 72 -2.266 9.628 -8.042 1.00 0.00 C ATOM 981 CG ASN A 72 -1.328 8.780 -7.204 1.00 0.00 C ATOM 982 OD1 ASN A 72 -1.669 7.667 -6.804 1.00 0.00 O ATOM 983 ND2 ASN A 72 -0.138 9.305 -6.933 1.00 0.00 N ATOM 0 H ASN A 72 -3.908 10.440 -9.821 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.166 9.431 -9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.020 10.681 -7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.289 9.492 -7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.535 8.782 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.103 10.231 -7.285 1.00 0.00 H new ATOM 990 N SER A 73 -1.555 6.962 -9.947 1.00 0.00 N ATOM 991 CA SER A 73 -1.789 5.537 -10.145 1.00 0.00 C ATOM 992 C SER A 73 -0.779 4.704 -9.364 1.00 0.00 C ATOM 993 O SER A 73 -1.068 4.230 -8.265 1.00 0.00 O ATOM 994 CB SER A 73 -1.708 5.194 -11.633 1.00 0.00 C ATOM 995 OG SER A 73 -2.283 3.925 -11.899 1.00 0.00 O ATOM 0 H SER A 73 -0.575 7.240 -9.995 1.00 0.00 H new ATOM 0 HA SER A 73 -2.787 5.301 -9.775 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.224 5.959 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.666 5.199 -11.954 1.00 0.00 H new ATOM 0 HG SER A 73 -2.219 3.731 -12.858 1.00 0.00 H new ATOM 1001 N PHE A 74 0.408 4.534 -9.937 1.00 0.00 N ATOM 1002 CA PHE A 74 1.465 3.756 -9.295 1.00 0.00 C ATOM 1003 C PHE A 74 2.501 4.677 -8.650 1.00 0.00 C ATOM 1004 O PHE A 74 3.004 5.600 -9.292 1.00 0.00 O ATOM 1005 CB PHE A 74 2.136 2.828 -10.320 1.00 0.00 C ATOM 1006 CG PHE A 74 3.512 2.373 -9.920 1.00 0.00 C ATOM 1007 CD1 PHE A 74 3.700 1.599 -8.786 1.00 0.00 C ATOM 1008 CD2 PHE A 74 4.617 2.723 -10.678 1.00 0.00 C ATOM 1009 CE1 PHE A 74 4.963 1.182 -8.416 1.00 0.00 C ATOM 1010 CE2 PHE A 74 5.884 2.309 -10.314 1.00 0.00 C ATOM 1011 CZ PHE A 74 6.057 1.537 -9.182 1.00 0.00 C ATOM 0 H PHE A 74 0.663 4.924 -10.844 1.00 0.00 H new ATOM 0 HA PHE A 74 1.017 3.147 -8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.504 1.953 -10.471 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.199 3.345 -11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.848 1.319 -8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.487 3.327 -11.564 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.096 0.579 -7.530 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.738 2.589 -10.914 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.046 1.211 -8.896 1.00 0.00 H new ATOM 1021 N LEU A 75 2.818 4.424 -7.379 1.00 0.00 N ATOM 1022 CA LEU A 75 3.793 5.241 -6.665 1.00 0.00 C ATOM 1023 C LEU A 75 4.757 4.377 -5.859 1.00 0.00 C ATOM 1024 O LEU A 75 4.458 3.228 -5.531 1.00 0.00 O ATOM 1025 CB LEU A 75 3.083 6.228 -5.733 1.00 0.00 C ATOM 1026 CG LEU A 75 3.959 7.367 -5.201 1.00 0.00 C ATOM 1027 CD1 LEU A 75 4.501 8.208 -6.347 1.00 0.00 C ATOM 1028 CD2 LEU A 75 3.171 8.232 -4.228 1.00 0.00 C ATOM 0 H LEU A 75 2.416 3.665 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 75 4.367 5.795 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.236 6.661 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.678 5.676 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 75 4.805 6.931 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.120 9.011 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.101 7.581 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.671 8.635 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.807 9.037 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.306 8.658 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.834 7.622 -3.390 1.00 0.00 H new ATOM 1040 N ILE A 76 5.914 4.947 -5.545 1.00 0.00 N ATOM 1041 CA ILE A 76 6.935 4.258 -4.762 1.00 0.00 C ATOM 1042 C ILE A 76 7.030 4.901 -3.387 1.00 0.00 C ATOM 1043 O ILE A 76 7.654 5.952 -3.229 1.00 0.00 O ATOM 1044 CB ILE A 76 8.316 4.318 -5.449 1.00 0.00 C ATOM 1045 CG1 ILE A 76 8.234 3.727 -6.860 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.357 3.579 -4.618 1.00 0.00 C ATOM 1047 CD1 ILE A 76 9.514 3.869 -7.658 1.00 0.00 C ATOM 0 H ILE A 76 6.171 5.894 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 76 6.646 3.211 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 76 8.620 5.362 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.978 2.670 -6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.423 4.215 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.325 3.631 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.431 4.041 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.061 2.536 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.378 3.427 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.761 4.925 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.325 3.357 -7.140 1.00 0.00 H new ATOM 1059 N ILE A 77 6.413 4.274 -2.394 1.00 0.00 N ATOM 1060 CA ILE A 77 6.408 4.827 -1.048 1.00 0.00 C ATOM 1061 C ILE A 77 6.735 3.791 0.021 1.00 0.00 C ATOM 1062 O ILE A 77 6.706 2.584 -0.223 1.00 0.00 O ATOM 1063 CB ILE A 77 5.046 5.464 -0.730 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.913 4.507 -1.149 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.934 6.821 -1.415 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.806 5.149 -1.966 1.00 0.00 C ATOM 0 H ILE A 77 5.914 3.390 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 77 7.192 5.584 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 77 4.956 5.632 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.343 3.688 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.476 4.069 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.966 7.266 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.729 7.476 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.027 6.693 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.055 4.399 -2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.343 5.948 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.224 5.561 -2.884 1.00 0.00 H new ATOM 1078 N ASN A 78 7.039 4.295 1.211 1.00 0.00 N ATOM 1079 CA ASN A 78 7.382 3.461 2.354 1.00 0.00 C ATOM 1080 C ASN A 78 6.200 2.600 2.787 1.00 0.00 C ATOM 1081 O ASN A 78 5.054 2.883 2.438 1.00 0.00 O ATOM 1082 CB ASN A 78 7.828 4.352 3.513 1.00 0.00 C ATOM 1083 CG ASN A 78 8.659 3.603 4.539 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.237 2.559 4.241 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.736 4.143 5.750 1.00 0.00 N ATOM 0 H ASN A 78 7.054 5.295 1.410 1.00 0.00 H new ATOM 0 HA ASN A 78 8.193 2.794 2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.408 5.188 3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.949 4.774 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.291 3.690 6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.240 5.011 5.954 1.00 0.00 H new ATOM 1092 N ALA A 79 6.488 1.549 3.549 1.00 0.00 N ATOM 1093 CA ALA A 79 5.448 0.654 4.040 1.00 0.00 C ATOM 1094 C ALA A 79 4.591 1.355 5.085 1.00 0.00 C ATOM 1095 O ALA A 79 3.384 1.128 5.170 1.00 0.00 O ATOM 1096 CB ALA A 79 6.062 -0.612 4.618 1.00 0.00 C ATOM 0 H ALA A 79 7.433 1.297 3.839 1.00 0.00 H new ATOM 0 HA ALA A 79 4.810 0.375 3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.270 -1.268 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.634 -1.125 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.723 -0.351 5.445 1.00 0.00 H new ATOM 1102 N ALA A 80 5.229 2.208 5.881 1.00 0.00 N ATOM 1103 CA ALA A 80 4.530 2.954 6.919 1.00 0.00 C ATOM 1104 C ALA A 80 3.593 3.982 6.301 1.00 0.00 C ATOM 1105 O ALA A 80 2.570 4.339 6.887 1.00 0.00 O ATOM 1106 CB ALA A 80 5.523 3.635 7.846 1.00 0.00 C ATOM 0 H ALA A 80 6.229 2.399 5.826 1.00 0.00 H new ATOM 0 HA ALA A 80 3.935 2.252 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.983 4.187 8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.156 2.883 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.143 4.324 7.272 1.00 0.00 H new ATOM 1112 N ASN A 81 3.949 4.456 5.110 1.00 0.00 N ATOM 1113 CA ASN A 81 3.138 5.439 4.406 1.00 0.00 C ATOM 1114 C ASN A 81 1.809 4.827 3.983 1.00 0.00 C ATOM 1115 O ASN A 81 0.925 5.520 3.477 1.00 0.00 O ATOM 1116 CB ASN A 81 3.883 5.976 3.180 1.00 0.00 C ATOM 1117 CG ASN A 81 5.289 6.435 3.509 1.00 0.00 C ATOM 1118 OD1 ASN A 81 5.629 6.656 4.673 1.00 0.00 O ATOM 1119 ND2 ASN A 81 6.113 6.600 2.481 1.00 0.00 N ATOM 0 H ASN A 81 4.794 4.174 4.614 1.00 0.00 H new ATOM 0 HA ASN A 81 2.943 6.269 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.927 5.199 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.323 6.809 2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.068 6.921 2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.791 6.406 1.533 1.00 0.00 H new ATOM 1126 N CYS A 82 1.678 3.522 4.195 1.00 0.00 N ATOM 1127 CA CYS A 82 0.461 2.805 3.845 1.00 0.00 C ATOM 1128 C CYS A 82 -0.029 1.979 5.033 1.00 0.00 C ATOM 1129 O CYS A 82 0.496 0.900 5.303 1.00 0.00 O ATOM 1130 CB CYS A 82 0.717 1.885 2.648 1.00 0.00 C ATOM 1131 SG CYS A 82 1.533 2.705 1.241 1.00 0.00 S ATOM 0 H CYS A 82 2.404 2.938 4.610 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.305 3.533 3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.333 1.047 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.234 1.471 2.312 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.033 2.488 5.741 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.574 1.785 6.903 1.00 0.00 C ATOM 1138 C GLN A 83 -2.868 1.052 6.560 1.00 0.00 C ATOM 1139 O GLN A 83 -3.764 1.611 5.929 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.815 2.770 8.057 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.581 3.006 8.912 1.00 0.00 C ATOM 1142 CD GLN A 83 -0.856 3.888 10.115 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -0.221 3.747 11.160 1.00 0.00 O ATOM 1144 NE2 GLN A 83 -1.805 4.808 9.973 1.00 0.00 N ATOM 0 H GLN A 83 -1.487 3.378 5.534 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.839 1.042 7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.153 3.722 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.619 2.390 8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.192 2.046 9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.196 3.466 8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.307 4.891 9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.031 5.431 10.748 1.00 0.00 H new ATOM 1153 N THR A 84 -2.943 -0.210 6.982 1.00 0.00 N ATOM 1154 CA THR A 84 -4.119 -1.044 6.740 1.00 0.00 C ATOM 1155 C THR A 84 -5.406 -0.313 7.125 1.00 0.00 C ATOM 1156 O THR A 84 -5.480 0.289 8.198 1.00 0.00 O ATOM 1157 CB THR A 84 -4.039 -2.364 7.534 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.672 -2.774 7.668 1.00 0.00 O ATOM 1159 CG2 THR A 84 -4.829 -3.464 6.840 1.00 0.00 C ATOM 0 H THR A 84 -2.198 -0.679 7.496 1.00 0.00 H new ATOM 0 HA THR A 84 -4.136 -1.265 5.673 1.00 0.00 H new ATOM 0 HB THR A 84 -4.469 -2.192 8.521 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.630 -3.612 8.175 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.757 -4.385 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.875 -3.166 6.760 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.422 -3.630 5.843 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.441 -0.355 6.261 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.719 0.314 6.534 1.00 0.00 C ATOM 1169 C PRO A 85 -8.449 -0.303 7.720 1.00 0.00 C ATOM 1170 O PRO A 85 -8.252 -1.475 8.042 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.522 0.108 5.247 1.00 0.00 C ATOM 1172 CG PRO A 85 -7.911 -1.083 4.595 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.454 -1.053 4.960 1.00 0.00 C ATOM 0 HA PRO A 85 -7.579 1.363 6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.577 -0.059 5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.464 0.984 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.382 -2.003 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.043 -1.047 3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.039 -2.058 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.864 -0.522 4.213 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.296 0.493 8.364 1.00 0.00 N ATOM 1182 CA ALA A 86 -10.055 0.027 9.518 1.00 0.00 C ATOM 1183 C ALA A 86 -11.254 -0.811 9.089 1.00 0.00 C ATOM 1184 O ALA A 86 -12.040 -0.398 8.236 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.511 1.210 10.360 1.00 0.00 C ATOM 0 H ALA A 86 -9.474 1.464 8.106 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.401 -0.605 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.077 0.849 11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.640 1.767 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.143 1.863 9.758 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.387 -1.991 9.689 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.493 -2.871 9.366 1.00 0.00 C ATOM 1193 C GLY A 87 -12.220 -3.764 8.168 1.00 0.00 C ATOM 1194 O GLY A 87 -13.144 -4.356 7.610 1.00 0.00 O ATOM 0 H GLY A 87 -10.746 -2.353 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.717 -3.494 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.381 -2.270 9.168 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.953 -3.864 7.768 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.577 -4.700 6.635 1.00 0.00 C ATOM 1200 C LEU A 88 -10.562 -6.174 7.031 1.00 0.00 C ATOM 1201 O LEU A 88 -9.522 -6.639 7.541 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.203 -4.288 6.105 1.00 0.00 C ATOM 1203 CG LEU A 88 -8.706 -5.094 4.903 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.114 -4.430 3.601 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -7.196 -5.274 4.965 1.00 0.00 C ATOM 1206 OXT LEU A 88 -11.593 -6.850 6.827 1.00 0.00 O ATOM 0 H LEU A 88 -10.174 -3.377 8.212 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.318 -4.560 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.238 -3.234 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.476 -4.381 6.912 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.170 -6.080 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.749 -5.021 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.201 -4.362 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -8.685 -3.429 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.862 -5.850 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.713 -4.297 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.930 -5.804 5.879 1.00 0.00 H new TER 1218 LEU A 88