USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 748 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 NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.282 (180deg=-1.34!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.735 K(o=-0.73,f=-6.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0813 (180deg=-0.864) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 179:sc= -0.855 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 29 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.806 K(o=-0.81,f=-7.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.6!) USER MOD Single : A 46 ASN : amide:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 48 TYR OH : rot -105:sc= -2.64! USER MOD Single : A 52 ASN : amide:sc= -0.672 K(o=-0.67,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 74:sc= -0.218 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.196 USER MOD Single : A 62 ASN : amide:sc= -0.0635 K(o=-0.063,f=-2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 74 LYS NZ :NH3+ -132:sc= -0.0579 (180deg=-0.849) USER MOD Single : A 78 SER OG : rot 180:sc= -0.48 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0698 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.584 -35.987 -20.370 1.00 0.00 N ATOM 2 CA MET A 1 -16.296 -34.805 -20.935 1.00 0.00 C ATOM 3 C MET A 1 -15.661 -34.393 -22.267 1.00 0.00 C ATOM 4 O MET A 1 -14.981 -33.388 -22.358 1.00 0.00 O ATOM 5 CB MET A 1 -16.119 -33.701 -19.891 1.00 0.00 C ATOM 6 CG MET A 1 -16.915 -32.465 -20.312 1.00 0.00 C ATOM 7 SD MET A 1 -18.684 -32.791 -20.110 1.00 0.00 S ATOM 8 CE MET A 1 -18.703 -32.817 -18.301 1.00 0.00 C ATOM 0 H1 MET A 1 -16.023 -36.258 -19.467 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.647 -36.782 -21.038 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.585 -35.747 -20.211 1.00 0.00 H new ATOM 0 HA MET A 1 -17.347 -35.011 -21.135 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.459 -34.050 -18.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.063 -33.449 -19.789 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.621 -31.607 -19.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.696 -32.214 -21.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.617 -32.346 -17.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.664 -33.849 -17.952 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.839 -32.272 -17.920 1.00 0.00 H new ATOM 20 N GLY A 2 -15.878 -35.168 -23.301 1.00 0.00 N ATOM 21 CA GLY A 2 -15.288 -34.832 -24.632 1.00 0.00 C ATOM 22 C GLY A 2 -13.780 -35.104 -24.611 1.00 0.00 C ATOM 23 O GLY A 2 -13.026 -34.499 -25.350 1.00 0.00 O ATOM 0 H GLY A 2 -16.439 -36.020 -23.280 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.764 -35.426 -25.412 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.475 -33.785 -24.870 1.00 0.00 H new ATOM 27 N ASN A 3 -13.337 -36.006 -23.771 1.00 0.00 N ATOM 28 CA ASN A 3 -11.876 -36.321 -23.698 1.00 0.00 C ATOM 29 C ASN A 3 -11.396 -36.921 -25.024 1.00 0.00 C ATOM 30 O ASN A 3 -10.294 -36.663 -25.472 1.00 0.00 O ATOM 31 CB ASN A 3 -11.734 -37.340 -22.559 1.00 0.00 C ATOM 32 CG ASN A 3 -12.568 -38.589 -22.867 1.00 0.00 C ATOM 33 OD1 ASN A 3 -13.744 -38.494 -23.156 1.00 0.00 O ATOM 34 ND2 ASN A 3 -12.001 -39.764 -22.822 1.00 0.00 N ATOM 0 H ASN A 3 -13.925 -36.539 -23.131 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.274 -35.430 -23.517 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.686 -37.614 -22.433 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.062 -36.896 -21.619 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.545 -40.601 -23.029 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.014 -39.845 -22.579 1.00 0.00 H new ATOM 41 N LYS A 4 -12.216 -37.728 -25.643 1.00 0.00 N ATOM 42 CA LYS A 4 -11.821 -38.367 -26.936 1.00 0.00 C ATOM 43 C LYS A 4 -11.591 -37.302 -28.016 1.00 0.00 C ATOM 44 O LYS A 4 -10.830 -37.508 -28.944 1.00 0.00 O ATOM 45 CB LYS A 4 -12.993 -39.291 -27.303 1.00 0.00 C ATOM 46 CG LYS A 4 -14.265 -38.468 -27.535 1.00 0.00 C ATOM 47 CD LYS A 4 -15.412 -39.397 -27.935 1.00 0.00 C ATOM 48 CE LYS A 4 -15.830 -40.239 -26.728 1.00 0.00 C ATOM 49 NZ LYS A 4 -17.025 -41.001 -27.186 1.00 0.00 N ATOM 0 H LYS A 4 -13.147 -37.974 -25.308 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.886 -38.922 -26.853 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.750 -39.859 -28.201 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.160 -40.014 -26.504 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.526 -37.921 -26.629 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.094 -37.728 -28.317 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.259 -38.813 -28.295 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.101 -40.045 -28.754 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.029 -40.910 -26.418 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.068 -39.609 -25.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.371 -41.603 -26.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.773 -40.336 -27.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.767 -41.597 -27.999 1.00 0.00 H new ATOM 63 N GLN A 5 -12.239 -36.168 -27.905 1.00 0.00 N ATOM 64 CA GLN A 5 -12.056 -35.091 -28.927 1.00 0.00 C ATOM 65 C GLN A 5 -10.794 -34.272 -28.623 1.00 0.00 C ATOM 66 O GLN A 5 -10.846 -33.062 -28.497 1.00 0.00 O ATOM 67 CB GLN A 5 -13.304 -34.211 -28.806 1.00 0.00 C ATOM 68 CG GLN A 5 -14.532 -34.988 -29.286 1.00 0.00 C ATOM 69 CD GLN A 5 -15.782 -34.124 -29.109 1.00 0.00 C ATOM 70 OE1 GLN A 5 -16.148 -33.786 -28.001 1.00 0.00 O ATOM 71 NE2 GLN A 5 -16.455 -33.749 -30.162 1.00 0.00 N ATOM 0 H GLN A 5 -12.887 -35.942 -27.150 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.936 -35.497 -29.931 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.441 -33.898 -27.771 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.181 -33.305 -29.399 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.414 -35.265 -30.333 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.634 -35.914 -28.720 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.147 -34.033 -31.092 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.289 -33.172 -30.055 1.00 0.00 H new ATOM 80 N ALA A 6 -9.663 -34.921 -28.510 1.00 0.00 N ATOM 81 CA ALA A 6 -8.396 -34.184 -28.219 1.00 0.00 C ATOM 82 C ALA A 6 -7.186 -35.020 -28.649 1.00 0.00 C ATOM 83 O ALA A 6 -6.384 -35.434 -27.833 1.00 0.00 O ATOM 84 CB ALA A 6 -8.399 -33.976 -26.703 1.00 0.00 C ATOM 0 H ALA A 6 -9.562 -35.931 -28.607 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.333 -33.239 -28.758 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.497 -33.439 -26.408 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.277 -33.396 -26.417 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.425 -34.944 -26.203 1.00 0.00 H new ATOM 90 N LYS A 7 -7.051 -35.265 -29.929 1.00 0.00 N ATOM 91 CA LYS A 7 -5.891 -36.074 -30.421 1.00 0.00 C ATOM 92 C LYS A 7 -4.577 -35.358 -30.096 1.00 0.00 C ATOM 93 O LYS A 7 -3.629 -35.967 -29.635 1.00 0.00 O ATOM 94 CB LYS A 7 -6.083 -36.180 -31.936 1.00 0.00 C ATOM 95 CG LYS A 7 -5.009 -37.097 -32.522 1.00 0.00 C ATOM 96 CD LYS A 7 -5.250 -37.275 -34.023 1.00 0.00 C ATOM 97 CE LYS A 7 -4.190 -38.216 -34.603 1.00 0.00 C ATOM 98 NZ LYS A 7 -2.901 -37.478 -34.478 1.00 0.00 N ATOM 0 H LYS A 7 -7.692 -34.941 -30.654 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.847 -37.057 -29.951 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.074 -36.573 -32.161 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.021 -35.192 -32.391 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.020 -36.672 -32.350 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.031 -38.065 -32.022 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.246 -37.682 -34.196 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.208 -36.309 -34.526 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.159 -39.158 -34.056 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.406 -38.458 -35.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.231 -37.826 -35.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.067 -36.462 -34.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.504 -37.631 -33.529 1.00 0.00 H new ATOM 112 N ALA A 8 -4.517 -34.072 -30.333 1.00 0.00 N ATOM 113 CA ALA A 8 -3.267 -33.308 -30.041 1.00 0.00 C ATOM 114 C ALA A 8 -3.564 -31.796 -30.005 1.00 0.00 C ATOM 115 O ALA A 8 -3.096 -31.058 -30.850 1.00 0.00 O ATOM 116 CB ALA A 8 -2.317 -33.650 -31.189 1.00 0.00 C ATOM 0 H ALA A 8 -5.282 -33.517 -30.717 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.839 -33.566 -29.072 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.372 -33.126 -31.048 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.137 -34.725 -31.204 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.764 -33.343 -32.135 1.00 0.00 H new ATOM 122 N PRO A 9 -4.339 -31.376 -29.026 1.00 0.00 N ATOM 123 CA PRO A 9 -4.685 -29.937 -28.905 1.00 0.00 C ATOM 124 C PRO A 9 -3.471 -29.132 -28.429 1.00 0.00 C ATOM 125 O PRO A 9 -2.569 -29.665 -27.810 1.00 0.00 O ATOM 126 CB PRO A 9 -5.798 -29.920 -27.861 1.00 0.00 C ATOM 127 CG PRO A 9 -5.581 -31.152 -27.044 1.00 0.00 C ATOM 128 CD PRO A 9 -4.953 -32.177 -27.952 1.00 0.00 C ATOM 0 HA PRO A 9 -4.991 -29.489 -29.850 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.746 -29.023 -27.244 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.781 -29.927 -28.332 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.933 -30.942 -26.193 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.525 -31.520 -26.642 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.209 -32.774 -27.425 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.697 -32.870 -28.346 1.00 0.00 H new ATOM 136 N GLU A 10 -3.446 -27.853 -28.713 1.00 0.00 N ATOM 137 CA GLU A 10 -2.292 -27.009 -28.277 1.00 0.00 C ATOM 138 C GLU A 10 -2.784 -25.761 -27.530 1.00 0.00 C ATOM 139 O GLU A 10 -2.103 -24.754 -27.480 1.00 0.00 O ATOM 140 CB GLU A 10 -1.571 -26.621 -29.574 1.00 0.00 C ATOM 141 CG GLU A 10 -2.511 -25.817 -30.478 1.00 0.00 C ATOM 142 CD GLU A 10 -1.776 -25.428 -31.762 1.00 0.00 C ATOM 143 OE1 GLU A 10 -1.020 -26.248 -32.259 1.00 0.00 O ATOM 144 OE2 GLU A 10 -1.981 -24.319 -32.226 1.00 0.00 O ATOM 0 H GLU A 10 -4.174 -27.358 -29.227 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.634 -27.539 -27.589 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.683 -26.032 -29.344 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.233 -27.518 -30.093 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.395 -26.407 -30.717 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.856 -24.923 -29.959 1.00 0.00 H new ATOM 151 N SER A 11 -3.957 -25.822 -26.952 1.00 0.00 N ATOM 152 CA SER A 11 -4.492 -24.642 -26.208 1.00 0.00 C ATOM 153 C SER A 11 -4.944 -25.063 -24.808 1.00 0.00 C ATOM 154 O SER A 11 -5.327 -26.197 -24.587 1.00 0.00 O ATOM 155 CB SER A 11 -5.684 -24.159 -27.035 1.00 0.00 C ATOM 156 OG SER A 11 -5.214 -23.594 -28.251 1.00 0.00 O ATOM 0 H SER A 11 -4.568 -26.639 -26.963 1.00 0.00 H new ATOM 0 HA SER A 11 -3.744 -23.860 -26.079 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.357 -24.990 -27.243 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.255 -23.419 -26.474 1.00 0.00 H new ATOM 0 HG SER A 11 -5.976 -23.285 -28.784 1.00 0.00 H new ATOM 162 N LYS A 12 -4.901 -24.158 -23.863 1.00 0.00 N ATOM 163 CA LYS A 12 -5.325 -24.501 -22.473 1.00 0.00 C ATOM 164 C LYS A 12 -6.781 -24.090 -22.246 1.00 0.00 C ATOM 165 O LYS A 12 -7.121 -22.922 -22.289 1.00 0.00 O ATOM 166 CB LYS A 12 -4.391 -23.696 -21.568 1.00 0.00 C ATOM 167 CG LYS A 12 -4.693 -24.017 -20.103 1.00 0.00 C ATOM 168 CD LYS A 12 -3.727 -23.248 -19.201 1.00 0.00 C ATOM 169 CE LYS A 12 -4.020 -23.582 -17.736 1.00 0.00 C ATOM 170 NZ LYS A 12 -3.017 -22.804 -16.957 1.00 0.00 N ATOM 0 H LYS A 12 -4.590 -23.196 -23.995 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.265 -25.571 -22.274 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.352 -23.935 -21.796 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.521 -22.629 -21.751 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.722 -23.747 -19.865 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.596 -25.088 -19.927 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.698 -23.510 -19.446 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.832 -22.176 -19.369 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.037 -23.301 -17.463 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.923 -24.651 -17.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.153 -22.981 -15.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.059 -23.098 -17.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.138 -21.789 -17.151 1.00 0.00 H new ATOM 184 N ASP A 13 -7.641 -25.046 -22.002 1.00 0.00 N ATOM 185 CA ASP A 13 -9.081 -24.726 -21.766 1.00 0.00 C ATOM 186 C ASP A 13 -9.391 -24.747 -20.267 1.00 0.00 C ATOM 187 O ASP A 13 -9.399 -25.789 -19.642 1.00 0.00 O ATOM 188 CB ASP A 13 -9.857 -25.830 -22.487 1.00 0.00 C ATOM 189 CG ASP A 13 -11.330 -25.429 -22.609 1.00 0.00 C ATOM 190 OD1 ASP A 13 -11.596 -24.242 -22.711 1.00 0.00 O ATOM 191 OD2 ASP A 13 -12.167 -26.315 -22.594 1.00 0.00 O ATOM 0 H ASP A 13 -7.407 -26.038 -21.956 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.347 -23.734 -22.132 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.433 -25.999 -23.477 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.769 -26.768 -21.938 1.00 0.00 H new ATOM 196 N SER A 14 -9.656 -23.601 -19.693 1.00 0.00 N ATOM 197 CA SER A 14 -9.977 -23.544 -18.236 1.00 0.00 C ATOM 198 C SER A 14 -11.383 -22.949 -18.040 1.00 0.00 C ATOM 199 O SER A 14 -11.519 -21.843 -17.554 1.00 0.00 O ATOM 200 CB SER A 14 -8.908 -22.636 -17.628 1.00 0.00 C ATOM 201 OG SER A 14 -8.902 -22.798 -16.216 1.00 0.00 O ATOM 0 H SER A 14 -9.664 -22.701 -20.172 1.00 0.00 H new ATOM 0 HA SER A 14 -9.978 -24.527 -17.766 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.929 -22.883 -18.038 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.108 -21.596 -17.885 1.00 0.00 H new ATOM 0 HG SER A 14 -8.217 -22.218 -15.823 1.00 0.00 H new ATOM 207 N PRO A 15 -12.391 -23.698 -18.435 1.00 0.00 N ATOM 208 CA PRO A 15 -13.786 -23.211 -18.302 1.00 0.00 C ATOM 209 C PRO A 15 -14.222 -23.212 -16.837 1.00 0.00 C ATOM 210 O PRO A 15 -13.722 -23.978 -16.033 1.00 0.00 O ATOM 211 CB PRO A 15 -14.600 -24.213 -19.113 1.00 0.00 C ATOM 212 CG PRO A 15 -13.785 -25.466 -19.108 1.00 0.00 C ATOM 213 CD PRO A 15 -12.341 -25.047 -19.026 1.00 0.00 C ATOM 0 HA PRO A 15 -13.912 -22.186 -18.652 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -15.581 -24.378 -18.667 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -14.768 -23.855 -20.129 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.053 -26.098 -18.261 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.967 -26.049 -20.011 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.762 -25.732 -18.407 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.873 -25.034 -20.010 1.00 0.00 H new ATOM 221 N ARG A 16 -15.157 -22.366 -16.490 1.00 0.00 N ATOM 222 CA ARG A 16 -15.642 -22.316 -15.078 1.00 0.00 C ATOM 223 C ARG A 16 -17.175 -22.338 -15.038 1.00 0.00 C ATOM 224 O ARG A 16 -17.832 -21.794 -15.902 1.00 0.00 O ATOM 225 CB ARG A 16 -15.110 -20.998 -14.518 1.00 0.00 C ATOM 226 CG ARG A 16 -13.584 -21.051 -14.465 1.00 0.00 C ATOM 227 CD ARG A 16 -13.042 -19.706 -13.977 1.00 0.00 C ATOM 228 NE ARG A 16 -13.548 -19.571 -12.582 1.00 0.00 N ATOM 229 CZ ARG A 16 -12.887 -20.105 -11.590 1.00 0.00 C ATOM 230 NH1 ARG A 16 -11.590 -19.977 -11.522 1.00 0.00 N ATOM 231 NH2 ARG A 16 -13.524 -20.764 -10.662 1.00 0.00 N ATOM 0 H ARG A 16 -15.607 -21.706 -17.125 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.299 -23.172 -14.497 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.435 -20.166 -15.143 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.514 -20.824 -13.521 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.260 -21.849 -13.797 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.183 -21.280 -15.452 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.953 -19.685 -14.006 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.393 -18.887 -14.605 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.412 -19.061 -12.401 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.090 -19.459 -12.245 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.076 -20.395 -10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.538 -20.862 -10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.008 -21.181 -9.887 1.00 0.00 H new ATOM 245 N ALA A 17 -17.747 -22.964 -14.037 1.00 0.00 N ATOM 246 CA ALA A 17 -19.239 -23.025 -13.937 1.00 0.00 C ATOM 247 C ALA A 17 -19.742 -22.022 -12.895 1.00 0.00 C ATOM 248 O ALA A 17 -20.742 -22.237 -12.233 1.00 0.00 O ATOM 249 CB ALA A 17 -19.555 -24.460 -13.507 1.00 0.00 C ATOM 0 H ALA A 17 -17.244 -23.435 -13.285 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.725 -22.771 -14.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -20.634 -24.582 -13.412 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.175 -25.156 -14.255 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -19.081 -24.665 -12.547 1.00 0.00 H new ATOM 255 N SER A 18 -19.053 -20.925 -12.758 1.00 0.00 N ATOM 256 CA SER A 18 -19.465 -19.883 -11.778 1.00 0.00 C ATOM 257 C SER A 18 -19.399 -18.513 -12.450 1.00 0.00 C ATOM 258 O SER A 18 -18.607 -18.292 -13.344 1.00 0.00 O ATOM 259 CB SER A 18 -18.445 -19.976 -10.636 1.00 0.00 C ATOM 260 OG SER A 18 -19.042 -19.527 -9.420 1.00 0.00 O ATOM 0 H SER A 18 -18.211 -20.703 -13.290 1.00 0.00 H new ATOM 0 HA SER A 18 -20.482 -20.024 -11.413 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.101 -21.004 -10.525 1.00 0.00 H new ATOM 0 HB3 SER A 18 -17.569 -19.370 -10.868 1.00 0.00 H new ATOM 0 HG SER A 18 -18.394 -19.604 -8.689 1.00 0.00 H new ATOM 266 N LEU A 19 -20.227 -17.604 -12.035 1.00 0.00 N ATOM 267 CA LEU A 19 -20.200 -16.254 -12.645 1.00 0.00 C ATOM 268 C LEU A 19 -19.398 -15.260 -11.796 1.00 0.00 C ATOM 269 O LEU A 19 -19.305 -14.091 -12.128 1.00 0.00 O ATOM 270 CB LEU A 19 -21.670 -15.845 -12.810 1.00 0.00 C ATOM 271 CG LEU A 19 -22.136 -16.208 -14.244 1.00 0.00 C ATOM 272 CD1 LEU A 19 -23.311 -17.186 -14.198 1.00 0.00 C ATOM 273 CD2 LEU A 19 -22.583 -14.930 -14.990 1.00 0.00 C ATOM 0 H LEU A 19 -20.921 -17.737 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 19 -19.691 -16.258 -13.609 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -22.288 -16.356 -12.072 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.785 -14.775 -12.636 1.00 0.00 H new ATOM 0 HG LEU A 19 -21.300 -16.674 -14.766 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -23.623 -17.428 -15.214 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -23.005 -18.098 -13.685 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -24.143 -16.730 -13.662 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.909 -15.192 -15.997 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -23.408 -14.464 -14.451 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -21.748 -14.232 -15.049 1.00 0.00 H new ATOM 285 N ILE A 20 -18.760 -15.729 -10.747 1.00 0.00 N ATOM 286 CA ILE A 20 -17.887 -14.832 -9.923 1.00 0.00 C ATOM 287 C ILE A 20 -16.582 -14.689 -10.717 1.00 0.00 C ATOM 288 O ILE A 20 -16.166 -15.644 -11.336 1.00 0.00 O ATOM 289 CB ILE A 20 -17.648 -15.559 -8.574 1.00 0.00 C ATOM 290 CG1 ILE A 20 -17.061 -16.970 -8.808 1.00 0.00 C ATOM 291 CG2 ILE A 20 -18.973 -15.679 -7.831 1.00 0.00 C ATOM 292 CD1 ILE A 20 -16.494 -17.520 -7.499 1.00 0.00 C ATOM 0 H ILE A 20 -18.807 -16.696 -10.426 1.00 0.00 H new ATOM 0 HA ILE A 20 -18.313 -13.849 -9.724 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.936 -14.981 -7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -17.835 -17.637 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.277 -16.927 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.813 -16.189 -6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -19.377 -14.684 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -19.678 -16.250 -8.435 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -16.082 -18.514 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.707 -16.858 -7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.288 -17.580 -6.755 1.00 0.00 H new ATOM 304 N PRO A 21 -15.987 -13.521 -10.740 1.00 0.00 N ATOM 305 CA PRO A 21 -14.751 -13.342 -11.548 1.00 0.00 C ATOM 306 C PRO A 21 -13.578 -14.090 -10.918 1.00 0.00 C ATOM 307 O PRO A 21 -13.544 -14.316 -9.721 1.00 0.00 O ATOM 308 CB PRO A 21 -14.527 -11.833 -11.543 1.00 0.00 C ATOM 309 CG PRO A 21 -15.200 -11.356 -10.299 1.00 0.00 C ATOM 310 CD PRO A 21 -16.360 -12.291 -10.038 1.00 0.00 C ATOM 0 HA PRO A 21 -14.839 -13.741 -12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.464 -11.590 -11.537 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.956 -11.366 -12.430 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.505 -11.359 -9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.550 -10.331 -10.419 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.499 -12.467 -8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.296 -11.882 -10.419 1.00 0.00 H new ATOM 318 N ASP A 22 -12.616 -14.480 -11.717 1.00 0.00 N ATOM 319 CA ASP A 22 -11.441 -15.214 -11.171 1.00 0.00 C ATOM 320 C ASP A 22 -10.294 -14.237 -10.912 1.00 0.00 C ATOM 321 O ASP A 22 -9.700 -13.707 -11.833 1.00 0.00 O ATOM 322 CB ASP A 22 -11.048 -16.227 -12.249 1.00 0.00 C ATOM 323 CG ASP A 22 -10.088 -17.263 -11.654 1.00 0.00 C ATOM 324 OD1 ASP A 22 -10.142 -17.481 -10.453 1.00 0.00 O ATOM 325 OD2 ASP A 22 -9.311 -17.825 -12.410 1.00 0.00 O ATOM 0 H ASP A 22 -12.597 -14.320 -12.724 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.669 -15.707 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.937 -16.722 -12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.574 -15.716 -13.087 1.00 0.00 H new ATOM 330 N ALA A 23 -9.987 -13.998 -9.666 1.00 0.00 N ATOM 331 CA ALA A 23 -8.881 -13.054 -9.330 1.00 0.00 C ATOM 332 C ALA A 23 -8.157 -13.527 -8.069 1.00 0.00 C ATOM 333 O ALA A 23 -8.731 -14.193 -7.228 1.00 0.00 O ATOM 334 CB ALA A 23 -9.568 -11.711 -9.085 1.00 0.00 C ATOM 0 H ALA A 23 -10.456 -14.417 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.134 -12.988 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.819 -10.960 -8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.099 -11.404 -9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.276 -11.809 -8.262 1.00 0.00 H new ATOM 340 N THR A 24 -6.900 -13.187 -7.932 1.00 0.00 N ATOM 341 CA THR A 24 -6.131 -13.616 -6.727 1.00 0.00 C ATOM 342 C THR A 24 -5.855 -12.413 -5.821 1.00 0.00 C ATOM 343 O THR A 24 -5.290 -11.422 -6.246 1.00 0.00 O ATOM 344 CB THR A 24 -4.822 -14.187 -7.279 1.00 0.00 C ATOM 345 OG1 THR A 24 -5.113 -15.259 -8.165 1.00 0.00 O ATOM 346 CG2 THR A 24 -3.954 -14.700 -6.127 1.00 0.00 C ATOM 0 H THR A 24 -6.373 -12.630 -8.605 1.00 0.00 H new ATOM 0 HA THR A 24 -6.673 -14.346 -6.126 1.00 0.00 H new ATOM 0 HB THR A 24 -4.284 -13.404 -7.814 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.277 -15.625 -8.521 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.024 -15.105 -6.525 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.730 -13.879 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.489 -15.482 -5.588 1.00 0.00 H new ATOM 354 N HIS A 25 -6.245 -12.499 -4.574 1.00 0.00 N ATOM 355 CA HIS A 25 -6.005 -11.369 -3.628 1.00 0.00 C ATOM 356 C HIS A 25 -4.563 -11.405 -3.128 1.00 0.00 C ATOM 357 O HIS A 25 -4.115 -12.390 -2.573 1.00 0.00 O ATOM 358 CB HIS A 25 -6.969 -11.602 -2.465 1.00 0.00 C ATOM 359 CG HIS A 25 -8.375 -11.316 -2.910 1.00 0.00 C ATOM 360 ND1 HIS A 25 -9.228 -12.313 -3.367 1.00 0.00 N ATOM 361 CD2 HIS A 25 -9.096 -10.149 -2.968 1.00 0.00 C ATOM 362 CE1 HIS A 25 -10.402 -11.732 -3.676 1.00 0.00 C ATOM 363 NE2 HIS A 25 -10.372 -10.418 -3.450 1.00 0.00 N ATOM 0 H HIS A 25 -6.721 -13.306 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.164 -10.400 -4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.890 -12.631 -2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.705 -10.959 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.729 -9.174 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.261 -12.263 -4.059 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.128 -9.750 -3.600 1.00 0.00 H new ATOM 372 N LEU A 26 -3.830 -10.337 -3.323 1.00 0.00 N ATOM 373 CA LEU A 26 -2.404 -10.289 -2.866 1.00 0.00 C ATOM 374 C LEU A 26 -1.625 -11.509 -3.414 1.00 0.00 C ATOM 375 O LEU A 26 -1.115 -11.473 -4.518 1.00 0.00 O ATOM 376 CB LEU A 26 -2.471 -10.294 -1.331 1.00 0.00 C ATOM 377 CG LEU A 26 -3.050 -8.968 -0.834 1.00 0.00 C ATOM 378 CD1 LEU A 26 -3.373 -9.082 0.656 1.00 0.00 C ATOM 379 CD2 LEU A 26 -2.027 -7.851 -1.048 1.00 0.00 C ATOM 0 H LEU A 26 -4.160 -9.489 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.877 -9.407 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.090 -11.123 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.475 -10.445 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.960 -8.738 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.786 -8.138 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.102 -9.878 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.462 -9.311 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.440 -6.907 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.117 -8.080 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.794 -7.770 -2.110 1.00 0.00 H new ATOM 391 N GLY A 27 -1.545 -12.591 -2.668 1.00 0.00 N ATOM 392 CA GLY A 27 -0.816 -13.798 -3.163 1.00 0.00 C ATOM 393 C GLY A 27 0.699 -13.610 -2.974 1.00 0.00 C ATOM 394 O GLY A 27 1.164 -13.534 -1.854 1.00 0.00 O ATOM 0 H GLY A 27 -1.955 -12.685 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.151 -14.683 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.042 -13.963 -4.216 1.00 0.00 H new ATOM 398 N PRO A 28 1.436 -13.544 -4.067 1.00 0.00 N ATOM 399 CA PRO A 28 2.908 -13.368 -3.965 1.00 0.00 C ATOM 400 C PRO A 28 3.241 -11.971 -3.452 1.00 0.00 C ATOM 401 O PRO A 28 2.509 -11.026 -3.682 1.00 0.00 O ATOM 402 CB PRO A 28 3.396 -13.557 -5.400 1.00 0.00 C ATOM 403 CG PRO A 28 2.220 -13.210 -6.250 1.00 0.00 C ATOM 404 CD PRO A 28 0.997 -13.614 -5.471 1.00 0.00 C ATOM 0 HA PRO A 28 3.376 -14.065 -3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.246 -12.910 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.722 -14.582 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.203 -12.143 -6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.263 -13.734 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.161 -12.942 -5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.667 -14.618 -5.737 1.00 0.00 H new ATOM 412 N GLN A 29 4.345 -11.833 -2.766 1.00 0.00 N ATOM 413 CA GLN A 29 4.731 -10.493 -2.244 1.00 0.00 C ATOM 414 C GLN A 29 6.219 -10.229 -2.490 1.00 0.00 C ATOM 415 O GLN A 29 7.067 -10.522 -1.670 1.00 0.00 O ATOM 416 CB GLN A 29 4.393 -10.518 -0.746 1.00 0.00 C ATOM 417 CG GLN A 29 5.183 -11.616 -0.028 1.00 0.00 C ATOM 418 CD GLN A 29 4.465 -11.990 1.270 1.00 0.00 C ATOM 419 OE1 GLN A 29 3.529 -12.765 1.258 1.00 0.00 O ATOM 420 NE2 GLN A 29 4.867 -11.469 2.396 1.00 0.00 N ATOM 0 H GLN A 29 4.993 -12.589 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 29 4.197 -9.687 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.621 -9.549 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.324 -10.686 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.277 -12.492 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.194 -11.270 0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.653 -10.819 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.396 -11.712 3.267 1.00 0.00 H new ATOM 429 N PHE A 30 6.528 -9.655 -3.618 1.00 0.00 N ATOM 430 CA PHE A 30 7.945 -9.326 -3.946 1.00 0.00 C ATOM 431 C PHE A 30 8.033 -7.862 -4.372 1.00 0.00 C ATOM 432 O PHE A 30 7.206 -7.387 -5.129 1.00 0.00 O ATOM 433 CB PHE A 30 8.314 -10.251 -5.107 1.00 0.00 C ATOM 434 CG PHE A 30 8.538 -11.647 -4.581 1.00 0.00 C ATOM 435 CD1 PHE A 30 7.453 -12.512 -4.399 1.00 0.00 C ATOM 436 CD2 PHE A 30 9.835 -12.075 -4.275 1.00 0.00 C ATOM 437 CE1 PHE A 30 7.666 -13.806 -3.911 1.00 0.00 C ATOM 438 CE2 PHE A 30 10.048 -13.369 -3.788 1.00 0.00 C ATOM 439 CZ PHE A 30 8.963 -14.235 -3.604 1.00 0.00 C ATOM 0 H PHE A 30 5.852 -9.396 -4.336 1.00 0.00 H new ATOM 0 HA PHE A 30 8.619 -9.464 -3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.518 -10.254 -5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.214 -9.889 -5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.452 -12.181 -4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.671 -11.406 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.829 -14.474 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.049 -13.700 -3.554 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.127 -15.233 -3.226 1.00 0.00 H new ATOM 449 N CYS A 31 9.020 -7.137 -3.900 1.00 0.00 N ATOM 450 CA CYS A 31 9.133 -5.701 -4.298 1.00 0.00 C ATOM 451 C CYS A 31 9.688 -5.617 -5.718 1.00 0.00 C ATOM 452 O CYS A 31 10.772 -6.085 -5.997 1.00 0.00 O ATOM 453 CB CYS A 31 10.099 -5.061 -3.295 1.00 0.00 C ATOM 454 SG CYS A 31 9.967 -3.254 -3.390 1.00 0.00 S ATOM 0 H CYS A 31 9.743 -7.474 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 31 8.171 -5.189 -4.288 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.868 -5.400 -2.285 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.121 -5.373 -3.510 1.00 0.00 H new ATOM 459 N LYS A 32 8.948 -5.033 -6.617 1.00 0.00 N ATOM 460 CA LYS A 32 9.433 -4.920 -8.021 1.00 0.00 C ATOM 461 C LYS A 32 10.015 -3.527 -8.284 1.00 0.00 C ATOM 462 O LYS A 32 10.605 -3.290 -9.322 1.00 0.00 O ATOM 463 CB LYS A 32 8.196 -5.156 -8.888 1.00 0.00 C ATOM 464 CG LYS A 32 7.692 -6.587 -8.683 1.00 0.00 C ATOM 465 CD LYS A 32 6.477 -6.832 -9.581 1.00 0.00 C ATOM 466 CE LYS A 32 5.292 -6.007 -9.074 1.00 0.00 C ATOM 467 NZ LYS A 32 4.128 -6.473 -9.878 1.00 0.00 N ATOM 0 H LYS A 32 8.028 -4.629 -6.441 1.00 0.00 H new ATOM 0 HA LYS A 32 10.228 -5.635 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.414 -4.443 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.438 -4.992 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.482 -7.300 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.423 -6.743 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.711 -6.558 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.221 -7.892 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.126 -6.168 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.466 -4.940 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.275 -5.953 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.312 -6.301 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.983 -7.491 -9.721 1.00 0.00 H new ATOM 481 N SER A 33 9.843 -2.595 -7.369 1.00 0.00 N ATOM 482 CA SER A 33 10.381 -1.222 -7.608 1.00 0.00 C ATOM 483 C SER A 33 11.903 -1.172 -7.409 1.00 0.00 C ATOM 484 O SER A 33 12.644 -0.959 -8.351 1.00 0.00 O ATOM 485 CB SER A 33 9.683 -0.345 -6.567 1.00 0.00 C ATOM 486 OG SER A 33 8.315 -0.191 -6.924 1.00 0.00 O ATOM 0 H SER A 33 9.360 -2.728 -6.481 1.00 0.00 H new ATOM 0 HA SER A 33 10.197 -0.892 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.764 -0.799 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.168 0.629 -6.511 1.00 0.00 H new ATOM 0 HG SER A 33 7.864 0.369 -6.258 1.00 0.00 H new ATOM 492 N CYS A 34 12.380 -1.365 -6.198 1.00 0.00 N ATOM 493 CA CYS A 34 13.859 -1.328 -5.965 1.00 0.00 C ATOM 494 C CYS A 34 14.542 -2.670 -6.309 1.00 0.00 C ATOM 495 O CYS A 34 15.574 -2.691 -6.947 1.00 0.00 O ATOM 496 CB CYS A 34 14.055 -0.898 -4.495 1.00 0.00 C ATOM 497 SG CYS A 34 13.586 -2.213 -3.343 1.00 0.00 S ATOM 0 H CYS A 34 11.813 -1.545 -5.369 1.00 0.00 H new ATOM 0 HA CYS A 34 14.344 -0.614 -6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 34 15.098 -0.626 -4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.458 -0.008 -4.294 1.00 0.00 H new ATOM 502 N TRP A 35 13.981 -3.789 -5.885 1.00 0.00 N ATOM 503 CA TRP A 35 14.599 -5.137 -6.176 1.00 0.00 C ATOM 504 C TRP A 35 13.810 -6.233 -5.454 1.00 0.00 C ATOM 505 O TRP A 35 12.847 -5.956 -4.771 1.00 0.00 O ATOM 506 CB TRP A 35 16.041 -5.113 -5.629 1.00 0.00 C ATOM 507 CG TRP A 35 16.062 -4.601 -4.220 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.570 -5.253 -3.137 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.602 -3.340 -3.728 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.772 -4.467 -2.017 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.405 -3.280 -2.329 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.236 -2.254 -4.356 1.00 0.00 C ATOM 513 CZ2 TRP A 35 16.823 -2.181 -1.578 1.00 0.00 C ATOM 514 CZ3 TRP A 35 17.658 -1.146 -3.605 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.452 -1.110 -2.219 1.00 0.00 C ATOM 0 H TRP A 35 13.116 -3.827 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 35 14.588 -5.339 -7.247 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.466 -6.116 -5.664 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.665 -4.481 -6.261 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.099 -6.225 -3.148 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.488 -4.732 -1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.399 -2.272 -5.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.662 -2.158 -0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.144 -0.317 -4.098 1.00 0.00 H new ATOM 0 HH2 TRP A 35 17.779 -0.255 -1.646 1.00 0.00 H new ATOM 526 N PHE A 36 14.223 -7.472 -5.581 1.00 0.00 N ATOM 527 CA PHE A 36 13.492 -8.584 -4.889 1.00 0.00 C ATOM 528 C PHE A 36 13.569 -8.380 -3.354 1.00 0.00 C ATOM 529 O PHE A 36 12.907 -7.510 -2.820 1.00 0.00 O ATOM 530 CB PHE A 36 14.213 -9.870 -5.328 1.00 0.00 C ATOM 531 CG PHE A 36 14.063 -10.086 -6.816 1.00 0.00 C ATOM 532 CD1 PHE A 36 12.866 -10.590 -7.338 1.00 0.00 C ATOM 533 CD2 PHE A 36 15.135 -9.802 -7.673 1.00 0.00 C ATOM 534 CE1 PHE A 36 12.740 -10.808 -8.716 1.00 0.00 C ATOM 535 CE2 PHE A 36 15.008 -10.017 -9.050 1.00 0.00 C ATOM 536 CZ PHE A 36 13.812 -10.522 -9.571 1.00 0.00 C ATOM 0 H PHE A 36 15.031 -7.762 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 36 12.433 -8.623 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.270 -9.806 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.804 -10.724 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.040 -10.811 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.060 -9.417 -7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.816 -11.197 -9.119 1.00 0.00 H new ATOM 0 HE2 PHE A 36 15.833 -9.793 -9.710 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.715 -10.691 -10.633 1.00 0.00 H new ATOM 546 N GLU A 37 14.361 -9.157 -2.637 1.00 0.00 N ATOM 547 CA GLU A 37 14.470 -8.995 -1.157 1.00 0.00 C ATOM 548 C GLU A 37 13.090 -9.001 -0.496 1.00 0.00 C ATOM 549 O GLU A 37 12.593 -7.978 -0.063 1.00 0.00 O ATOM 550 CB GLU A 37 15.169 -7.654 -0.939 1.00 0.00 C ATOM 551 CG GLU A 37 15.440 -7.467 0.556 1.00 0.00 C ATOM 552 CD GLU A 37 16.196 -6.157 0.784 1.00 0.00 C ATOM 553 OE1 GLU A 37 17.223 -5.972 0.151 1.00 0.00 O ATOM 554 OE2 GLU A 37 15.735 -5.362 1.585 1.00 0.00 O ATOM 0 H GLU A 37 14.939 -9.902 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 37 15.027 -9.818 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.105 -7.623 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.547 -6.841 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.500 -7.456 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.023 -8.305 0.937 1.00 0.00 H new ATOM 561 N ASN A 38 12.485 -10.154 -0.398 1.00 0.00 N ATOM 562 CA ASN A 38 11.148 -10.247 0.260 1.00 0.00 C ATOM 563 C ASN A 38 11.316 -10.446 1.778 1.00 0.00 C ATOM 564 O ASN A 38 10.356 -10.675 2.489 1.00 0.00 O ATOM 565 CB ASN A 38 10.470 -11.468 -0.378 1.00 0.00 C ATOM 566 CG ASN A 38 11.306 -12.734 -0.136 1.00 0.00 C ATOM 567 OD1 ASN A 38 12.259 -12.720 0.619 1.00 0.00 O ATOM 568 ND2 ASN A 38 10.985 -13.835 -0.755 1.00 0.00 N ATOM 0 H ASN A 38 12.859 -11.037 -0.745 1.00 0.00 H new ATOM 0 HA ASN A 38 10.557 -9.341 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.472 -11.598 0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.347 -11.305 -1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.533 -14.682 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.186 -13.849 -1.389 1.00 0.00 H new ATOM 575 N LYS A 39 12.532 -10.363 2.273 1.00 0.00 N ATOM 576 CA LYS A 39 12.767 -10.549 3.737 1.00 0.00 C ATOM 577 C LYS A 39 12.144 -9.399 4.534 1.00 0.00 C ATOM 578 O LYS A 39 11.690 -9.582 5.649 1.00 0.00 O ATOM 579 CB LYS A 39 14.296 -10.571 3.903 1.00 0.00 C ATOM 580 CG LYS A 39 14.902 -9.227 3.471 1.00 0.00 C ATOM 581 CD LYS A 39 16.409 -9.244 3.722 1.00 0.00 C ATOM 582 CE LYS A 39 17.071 -10.250 2.780 1.00 0.00 C ATOM 583 NZ LYS A 39 18.527 -10.158 3.082 1.00 0.00 N ATOM 0 H LYS A 39 13.370 -10.174 1.722 1.00 0.00 H new ATOM 0 HA LYS A 39 12.309 -11.465 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.552 -10.775 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.721 -11.377 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.700 -9.048 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.439 -8.412 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.826 -8.250 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.613 -9.512 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.695 -11.259 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.868 -10.007 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.050 -10.820 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.858 -9.189 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.691 -10.401 4.080 1.00 0.00 H new ATOM 597 N GLY A 40 12.132 -8.215 3.976 1.00 0.00 N ATOM 598 CA GLY A 40 11.549 -7.048 4.707 1.00 0.00 C ATOM 599 C GLY A 40 10.580 -6.296 3.796 1.00 0.00 C ATOM 600 O GLY A 40 10.658 -5.090 3.656 1.00 0.00 O ATOM 0 H GLY A 40 12.500 -8.006 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.029 -7.391 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.345 -6.380 5.037 1.00 0.00 H new ATOM 604 N LEU A 41 9.673 -7.001 3.173 1.00 0.00 N ATOM 605 CA LEU A 41 8.697 -6.335 2.260 1.00 0.00 C ATOM 606 C LEU A 41 7.427 -5.919 3.015 1.00 0.00 C ATOM 607 O LEU A 41 6.977 -6.588 3.924 1.00 0.00 O ATOM 608 CB LEU A 41 8.372 -7.387 1.194 1.00 0.00 C ATOM 609 CG LEU A 41 7.290 -6.859 0.239 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.850 -5.726 -0.618 1.00 0.00 C ATOM 611 CD2 LEU A 41 6.823 -7.992 -0.665 1.00 0.00 C ATOM 0 H LEU A 41 9.565 -8.012 3.257 1.00 0.00 H new ATOM 0 HA LEU A 41 9.106 -5.422 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.272 -7.636 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.029 -8.305 1.671 1.00 0.00 H new ATOM 0 HG LEU A 41 6.452 -6.480 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.074 -5.361 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.184 -4.913 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.693 -6.095 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.055 -7.622 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.667 -8.369 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.412 -8.797 -0.056 1.00 0.00 H new ATOM 623 N VAL A 42 6.830 -4.832 2.598 1.00 0.00 N ATOM 624 CA VAL A 42 5.564 -4.363 3.226 1.00 0.00 C ATOM 625 C VAL A 42 4.457 -4.491 2.179 1.00 0.00 C ATOM 626 O VAL A 42 4.505 -3.860 1.140 1.00 0.00 O ATOM 627 CB VAL A 42 5.814 -2.896 3.594 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.560 -2.306 4.239 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.980 -2.808 4.581 1.00 0.00 C ATOM 0 H VAL A 42 7.173 -4.244 1.839 1.00 0.00 H new ATOM 0 HA VAL A 42 5.269 -4.931 4.108 1.00 0.00 H new ATOM 0 HB VAL A 42 6.056 -2.335 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.741 -1.263 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.728 -2.366 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.316 -2.868 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.157 -1.765 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.737 -3.372 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.877 -3.225 4.123 1.00 0.00 H new ATOM 639 N GLU A 43 3.492 -5.337 2.420 1.00 0.00 N ATOM 640 CA GLU A 43 2.410 -5.550 1.408 1.00 0.00 C ATOM 641 C GLU A 43 1.351 -4.445 1.421 1.00 0.00 C ATOM 642 O GLU A 43 0.550 -4.340 2.331 1.00 0.00 O ATOM 643 CB GLU A 43 1.762 -6.882 1.791 1.00 0.00 C ATOM 644 CG GLU A 43 2.738 -8.031 1.534 1.00 0.00 C ATOM 645 CD GLU A 43 2.108 -9.344 2.003 1.00 0.00 C ATOM 646 OE1 GLU A 43 1.478 -9.335 3.048 1.00 0.00 O ATOM 647 OE2 GLU A 43 2.265 -10.335 1.310 1.00 0.00 O ATOM 0 H GLU A 43 3.404 -5.891 3.272 1.00 0.00 H new ATOM 0 HA GLU A 43 2.832 -5.543 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.474 -6.867 2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.850 -7.032 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.979 -8.089 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.674 -7.854 2.064 1.00 0.00 H new ATOM 654 N CYS A 44 1.298 -3.676 0.366 1.00 0.00 N ATOM 655 CA CYS A 44 0.242 -2.630 0.232 1.00 0.00 C ATOM 656 C CYS A 44 -1.039 -3.378 -0.148 1.00 0.00 C ATOM 657 O CYS A 44 -0.985 -4.571 -0.397 1.00 0.00 O ATOM 658 CB CYS A 44 0.711 -1.728 -0.913 1.00 0.00 C ATOM 659 SG CYS A 44 0.270 -0.002 -0.603 1.00 0.00 S ATOM 0 H CYS A 44 1.949 -3.729 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 44 0.066 -2.036 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.791 -1.815 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.261 -2.059 -1.849 1.00 0.00 H new ATOM 664 N ASN A 45 -2.186 -2.738 -0.190 1.00 0.00 N ATOM 665 CA ASN A 45 -3.431 -3.503 -0.552 1.00 0.00 C ATOM 666 C ASN A 45 -3.232 -4.254 -1.884 1.00 0.00 C ATOM 667 O ASN A 45 -3.102 -5.464 -1.904 1.00 0.00 O ATOM 668 CB ASN A 45 -4.524 -2.440 -0.698 1.00 0.00 C ATOM 669 CG ASN A 45 -4.950 -1.940 0.686 1.00 0.00 C ATOM 670 OD1 ASN A 45 -4.692 -2.581 1.686 1.00 0.00 O ATOM 671 ND2 ASN A 45 -5.600 -0.811 0.785 1.00 0.00 N ATOM 0 H ASN A 45 -2.316 -1.745 0.005 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.685 -4.251 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.157 -1.608 -1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.382 -2.858 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.890 -0.468 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.817 -0.272 -0.053 1.00 0.00 H new ATOM 678 N ASN A 46 -3.165 -3.543 -2.979 1.00 0.00 N ATOM 679 CA ASN A 46 -2.926 -4.204 -4.301 1.00 0.00 C ATOM 680 C ASN A 46 -1.504 -3.902 -4.810 1.00 0.00 C ATOM 681 O ASN A 46 -1.268 -3.854 -6.002 1.00 0.00 O ATOM 682 CB ASN A 46 -3.986 -3.620 -5.233 1.00 0.00 C ATOM 683 CG ASN A 46 -5.373 -4.043 -4.741 1.00 0.00 C ATOM 684 OD1 ASN A 46 -6.233 -3.212 -4.521 1.00 0.00 O ATOM 685 ND2 ASN A 46 -5.627 -5.310 -4.556 1.00 0.00 N ATOM 0 H ASN A 46 -3.266 -2.529 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.000 -5.290 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.910 -2.533 -5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.825 -3.971 -6.252 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.547 -5.603 -4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.906 -6.007 -4.741 1.00 0.00 H new ATOM 692 N HIS A 47 -0.570 -3.649 -3.922 1.00 0.00 N ATOM 693 CA HIS A 47 0.822 -3.292 -4.364 1.00 0.00 C ATOM 694 C HIS A 47 1.864 -3.791 -3.334 1.00 0.00 C ATOM 695 O HIS A 47 1.568 -3.927 -2.169 1.00 0.00 O ATOM 696 CB HIS A 47 0.743 -1.745 -4.469 1.00 0.00 C ATOM 697 CG HIS A 47 2.061 -1.054 -4.191 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.138 0.113 -3.431 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.353 -1.348 -4.553 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.433 0.467 -3.362 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.209 -0.388 -4.027 1.00 0.00 N ATOM 0 H HIS A 47 -0.709 -3.674 -2.912 1.00 0.00 H new ATOM 0 HA HIS A 47 1.141 -3.750 -5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.403 -1.473 -5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.006 -1.379 -3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.656 -2.193 -5.153 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.798 1.335 -2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.223 -0.346 -4.129 1.00 0.00 H new ATOM 709 N TYR A 48 3.076 -4.082 -3.764 1.00 0.00 N ATOM 710 CA TYR A 48 4.118 -4.573 -2.801 1.00 0.00 C ATOM 711 C TYR A 48 5.339 -3.637 -2.779 1.00 0.00 C ATOM 712 O TYR A 48 5.973 -3.409 -3.791 1.00 0.00 O ATOM 713 CB TYR A 48 4.564 -5.942 -3.319 1.00 0.00 C ATOM 714 CG TYR A 48 3.381 -6.863 -3.474 1.00 0.00 C ATOM 715 CD1 TYR A 48 2.784 -7.444 -2.349 1.00 0.00 C ATOM 716 CD2 TYR A 48 2.891 -7.141 -4.752 1.00 0.00 C ATOM 717 CE1 TYR A 48 1.694 -8.306 -2.508 1.00 0.00 C ATOM 718 CE2 TYR A 48 1.802 -7.999 -4.911 1.00 0.00 C ATOM 719 CZ TYR A 48 1.204 -8.582 -3.790 1.00 0.00 C ATOM 720 OH TYR A 48 0.134 -9.430 -3.949 1.00 0.00 O ATOM 0 H TYR A 48 3.385 -4.001 -4.733 1.00 0.00 H new ATOM 0 HA TYR A 48 3.709 -4.616 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.070 -5.827 -4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.285 -6.380 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.164 -7.227 -1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.355 -6.692 -5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.231 -8.758 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.422 -8.212 -5.899 1.00 0.00 H new ATOM 0 HH TYR A 48 0.449 -10.293 -4.290 1.00 0.00 H new ATOM 730 N LEU A 49 5.695 -3.141 -1.622 1.00 0.00 N ATOM 731 CA LEU A 49 6.906 -2.268 -1.500 1.00 0.00 C ATOM 732 C LEU A 49 7.611 -2.628 -0.191 1.00 0.00 C ATOM 733 O LEU A 49 6.959 -2.966 0.779 1.00 0.00 O ATOM 734 CB LEU A 49 6.402 -0.823 -1.465 1.00 0.00 C ATOM 735 CG LEU A 49 7.584 0.132 -1.680 1.00 0.00 C ATOM 736 CD1 LEU A 49 8.060 0.046 -3.133 1.00 0.00 C ATOM 737 CD2 LEU A 49 7.150 1.569 -1.379 1.00 0.00 C ATOM 0 H LEU A 49 5.195 -3.304 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 49 7.606 -2.398 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.650 -0.669 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.922 -0.616 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 49 8.396 -0.152 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.899 0.725 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.375 -0.974 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.245 0.325 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.992 2.243 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.334 1.850 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.814 1.638 -0.344 1.00 0.00 H new ATOM 749 N CYS A 50 8.921 -2.577 -0.139 1.00 0.00 N ATOM 750 CA CYS A 50 9.614 -2.937 1.132 1.00 0.00 C ATOM 751 C CYS A 50 9.975 -1.679 1.917 1.00 0.00 C ATOM 752 O CYS A 50 10.047 -0.591 1.379 1.00 0.00 O ATOM 753 CB CYS A 50 10.845 -3.765 0.736 1.00 0.00 C ATOM 754 SG CYS A 50 12.037 -2.763 -0.176 1.00 0.00 S ATOM 0 H CYS A 50 9.530 -2.306 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 50 8.976 -3.522 1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.316 -4.172 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.535 -4.613 0.125 1.00 0.00 H new ATOM 759 N LEU A 51 10.171 -1.829 3.194 1.00 0.00 N ATOM 760 CA LEU A 51 10.489 -0.661 4.060 1.00 0.00 C ATOM 761 C LEU A 51 11.774 0.026 3.600 1.00 0.00 C ATOM 762 O LEU A 51 11.964 1.206 3.827 1.00 0.00 O ATOM 763 CB LEU A 51 10.657 -1.234 5.470 1.00 0.00 C ATOM 764 CG LEU A 51 10.448 -0.124 6.501 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.949 0.092 6.723 1.00 0.00 C ATOM 766 CD2 LEU A 51 11.106 -0.524 7.823 1.00 0.00 C ATOM 0 H LEU A 51 10.124 -2.723 3.682 1.00 0.00 H new ATOM 0 HA LEU A 51 9.704 0.094 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.940 -2.038 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.651 -1.666 5.582 1.00 0.00 H new ATOM 0 HG LEU A 51 10.898 0.799 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.800 0.883 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.479 0.378 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.498 -0.831 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.957 0.267 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.657 -1.448 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.174 -0.677 7.666 1.00 0.00 H new ATOM 778 N ASN A 52 12.665 -0.701 2.975 1.00 0.00 N ATOM 779 CA ASN A 52 13.946 -0.076 2.526 1.00 0.00 C ATOM 780 C ASN A 52 13.677 1.067 1.534 1.00 0.00 C ATOM 781 O ASN A 52 14.182 2.161 1.702 1.00 0.00 O ATOM 782 CB ASN A 52 14.726 -1.200 1.837 1.00 0.00 C ATOM 783 CG ASN A 52 15.378 -2.099 2.887 1.00 0.00 C ATOM 784 OD1 ASN A 52 16.338 -1.714 3.523 1.00 0.00 O ATOM 785 ND2 ASN A 52 14.894 -3.294 3.096 1.00 0.00 N ATOM 0 H ASN A 52 12.563 -1.692 2.757 1.00 0.00 H new ATOM 0 HA ASN A 52 14.497 0.354 3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.056 -1.787 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.489 -0.777 1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.322 -3.903 3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.088 -3.618 2.562 1.00 0.00 H new ATOM 792 N CYS A 53 12.872 0.837 0.520 1.00 0.00 N ATOM 793 CA CYS A 53 12.568 1.938 -0.451 1.00 0.00 C ATOM 794 C CYS A 53 11.304 2.686 -0.020 1.00 0.00 C ATOM 795 O CYS A 53 11.137 3.859 -0.294 1.00 0.00 O ATOM 796 CB CYS A 53 12.410 1.281 -1.833 1.00 0.00 C ATOM 797 SG CYS A 53 10.979 0.171 -1.875 1.00 0.00 S ATOM 0 H CYS A 53 12.418 -0.055 0.325 1.00 0.00 H new ATOM 0 HA CYS A 53 13.367 2.679 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.296 2.053 -2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.313 0.722 -2.078 1.00 0.00 H new ATOM 802 N LEU A 54 10.413 2.002 0.652 1.00 0.00 N ATOM 803 CA LEU A 54 9.145 2.647 1.108 1.00 0.00 C ATOM 804 C LEU A 54 9.459 3.796 2.061 1.00 0.00 C ATOM 805 O LEU A 54 8.865 4.843 1.989 1.00 0.00 O ATOM 806 CB LEU A 54 8.386 1.542 1.843 1.00 0.00 C ATOM 807 CG LEU A 54 7.014 2.043 2.278 1.00 0.00 C ATOM 808 CD1 LEU A 54 6.101 0.841 2.498 1.00 0.00 C ATOM 809 CD2 LEU A 54 7.128 2.832 3.589 1.00 0.00 C ATOM 0 H LEU A 54 10.510 1.019 0.906 1.00 0.00 H new ATOM 0 HA LEU A 54 8.568 3.062 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.275 0.674 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.955 1.218 2.714 1.00 0.00 H new ATOM 0 HG LEU A 54 6.607 2.695 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.115 1.185 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.012 0.277 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.523 0.200 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.141 3.184 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.535 2.187 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.789 3.686 3.443 1.00 0.00 H new ATOM 821 N THR A 55 10.381 3.592 2.957 1.00 0.00 N ATOM 822 CA THR A 55 10.749 4.666 3.934 1.00 0.00 C ATOM 823 C THR A 55 11.332 5.883 3.202 1.00 0.00 C ATOM 824 O THR A 55 11.037 7.013 3.542 1.00 0.00 O ATOM 825 CB THR A 55 11.788 4.015 4.854 1.00 0.00 C ATOM 826 OG1 THR A 55 11.183 2.940 5.559 1.00 0.00 O ATOM 827 CG2 THR A 55 12.340 5.038 5.851 1.00 0.00 C ATOM 0 H THR A 55 10.903 2.722 3.060 1.00 0.00 H new ATOM 0 HA THR A 55 9.890 5.035 4.494 1.00 0.00 H new ATOM 0 HB THR A 55 12.613 3.642 4.247 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.056 2.181 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.076 4.557 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.812 5.857 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.525 5.429 6.460 1.00 0.00 H new ATOM 835 N LEU A 56 12.164 5.666 2.211 1.00 0.00 N ATOM 836 CA LEU A 56 12.770 6.825 1.477 1.00 0.00 C ATOM 837 C LEU A 56 11.670 7.677 0.834 1.00 0.00 C ATOM 838 O LEU A 56 11.707 8.893 0.893 1.00 0.00 O ATOM 839 CB LEU A 56 13.666 6.202 0.401 1.00 0.00 C ATOM 840 CG LEU A 56 14.982 5.735 1.029 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.753 4.879 0.022 1.00 0.00 C ATOM 842 CD2 LEU A 56 15.831 6.952 1.408 1.00 0.00 C ATOM 0 H LEU A 56 12.449 4.744 1.880 1.00 0.00 H new ATOM 0 HA LEU A 56 13.334 7.480 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.156 5.360 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.866 6.930 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 56 14.766 5.148 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.690 4.547 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.153 4.011 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.966 5.469 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.767 6.618 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.045 7.539 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.286 7.567 2.125 1.00 0.00 H new ATOM 854 N LEU A 57 10.686 7.053 0.240 1.00 0.00 N ATOM 855 CA LEU A 57 9.573 7.827 -0.390 1.00 0.00 C ATOM 856 C LEU A 57 8.313 7.761 0.483 1.00 0.00 C ATOM 857 O LEU A 57 7.236 8.110 0.042 1.00 0.00 O ATOM 858 CB LEU A 57 9.303 7.132 -1.725 1.00 0.00 C ATOM 859 CG LEU A 57 8.451 8.045 -2.612 1.00 0.00 C ATOM 860 CD1 LEU A 57 9.363 8.854 -3.530 1.00 0.00 C ATOM 861 CD2 LEU A 57 7.495 7.200 -3.458 1.00 0.00 C ATOM 0 H LEU A 57 10.604 6.039 0.164 1.00 0.00 H new ATOM 0 HA LEU A 57 9.835 8.878 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.244 6.899 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.788 6.186 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 57 7.872 8.721 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.759 9.504 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.040 9.460 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.943 8.176 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.891 7.854 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.070 6.520 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.842 6.623 -2.803 1.00 0.00 H new ATOM 873 N LEU A 58 8.425 7.280 1.705 1.00 0.00 N ATOM 874 CA LEU A 58 7.220 7.140 2.589 1.00 0.00 C ATOM 875 C LEU A 58 6.232 6.175 1.932 1.00 0.00 C ATOM 876 O LEU A 58 6.229 6.009 0.726 1.00 0.00 O ATOM 877 CB LEU A 58 6.608 8.543 2.729 1.00 0.00 C ATOM 878 CG LEU A 58 6.663 9.004 4.193 1.00 0.00 C ATOM 879 CD1 LEU A 58 5.875 8.038 5.082 1.00 0.00 C ATOM 880 CD2 LEU A 58 8.118 9.068 4.668 1.00 0.00 C ATOM 0 H LEU A 58 9.303 6.978 2.127 1.00 0.00 H new ATOM 0 HA LEU A 58 7.476 6.743 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.149 9.248 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.575 8.533 2.382 1.00 0.00 H new ATOM 0 HG LEU A 58 6.217 9.996 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.922 8.376 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.835 8.010 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.306 7.040 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.147 9.396 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.571 8.080 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.672 9.774 4.049 1.00 0.00 H new ATOM 892 N SER A 59 5.385 5.536 2.701 1.00 0.00 N ATOM 893 CA SER A 59 4.402 4.601 2.074 1.00 0.00 C ATOM 894 C SER A 59 3.447 5.436 1.228 1.00 0.00 C ATOM 895 O SER A 59 3.327 5.258 0.031 1.00 0.00 O ATOM 896 CB SER A 59 3.668 3.932 3.237 1.00 0.00 C ATOM 897 OG SER A 59 2.767 2.958 2.724 1.00 0.00 O ATOM 0 H SER A 59 5.331 5.619 3.716 1.00 0.00 H new ATOM 0 HA SER A 59 4.861 3.848 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.383 3.463 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.124 4.678 3.817 1.00 0.00 H new ATOM 0 HG SER A 59 2.296 2.525 3.466 1.00 0.00 H new ATOM 903 N VAL A 60 2.808 6.381 1.854 1.00 0.00 N ATOM 904 CA VAL A 60 1.890 7.299 1.130 1.00 0.00 C ATOM 905 C VAL A 60 1.868 8.655 1.834 1.00 0.00 C ATOM 906 O VAL A 60 0.827 9.103 2.279 1.00 0.00 O ATOM 907 CB VAL A 60 0.512 6.639 1.160 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.569 5.302 0.420 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.068 6.405 2.608 1.00 0.00 C ATOM 0 H VAL A 60 2.885 6.559 2.855 1.00 0.00 H new ATOM 0 HA VAL A 60 2.207 7.471 0.102 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.206 7.297 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.414 4.832 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.867 5.471 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.294 4.649 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.915 5.934 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.786 5.754 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.017 7.360 3.132 1.00 0.00 H new ATOM 919 N SER A 61 3.005 9.316 1.953 1.00 0.00 N ATOM 920 CA SER A 61 3.031 10.658 2.640 1.00 0.00 C ATOM 921 C SER A 61 1.930 11.546 2.060 1.00 0.00 C ATOM 922 O SER A 61 1.234 12.248 2.769 1.00 0.00 O ATOM 923 CB SER A 61 4.409 11.251 2.342 1.00 0.00 C ATOM 924 OG SER A 61 4.519 11.516 0.950 1.00 0.00 O ATOM 0 H SER A 61 3.907 8.988 1.608 1.00 0.00 H new ATOM 0 HA SER A 61 2.861 10.576 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.552 12.170 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.190 10.558 2.654 1.00 0.00 H new ATOM 0 HG SER A 61 5.401 11.898 0.758 1.00 0.00 H new ATOM 930 N ASN A 62 1.745 11.459 0.776 1.00 0.00 N ATOM 931 CA ASN A 62 0.663 12.222 0.109 1.00 0.00 C ATOM 932 C ASN A 62 -0.167 11.247 -0.723 1.00 0.00 C ATOM 933 O ASN A 62 -1.379 11.214 -0.643 1.00 0.00 O ATOM 934 CB ASN A 62 1.364 13.247 -0.781 1.00 0.00 C ATOM 935 CG ASN A 62 0.346 14.284 -1.261 1.00 0.00 C ATOM 936 OD1 ASN A 62 -0.658 14.511 -0.614 1.00 0.00 O ATOM 937 ND2 ASN A 62 0.563 14.931 -2.373 1.00 0.00 N ATOM 0 H ASN A 62 2.308 10.881 0.152 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.005 12.721 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.166 13.737 -0.228 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.823 12.750 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.109 15.626 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.405 14.742 -2.917 1.00 0.00 H new ATOM 944 N ARG A 63 0.493 10.444 -1.523 1.00 0.00 N ATOM 945 CA ARG A 63 -0.229 9.449 -2.380 1.00 0.00 C ATOM 946 C ARG A 63 0.659 8.230 -2.669 1.00 0.00 C ATOM 947 O ARG A 63 1.866 8.344 -2.766 1.00 0.00 O ATOM 948 CB ARG A 63 -0.512 10.177 -3.699 1.00 0.00 C ATOM 949 CG ARG A 63 -1.589 11.247 -3.511 1.00 0.00 C ATOM 950 CD ARG A 63 -1.769 12.003 -4.824 1.00 0.00 C ATOM 951 NE ARG A 63 -2.313 11.000 -5.794 1.00 0.00 N ATOM 952 CZ ARG A 63 -2.521 11.313 -7.059 1.00 0.00 C ATOM 953 NH1 ARG A 63 -2.169 12.481 -7.547 1.00 0.00 N ATOM 954 NH2 ARG A 63 -3.091 10.441 -7.847 1.00 0.00 N ATOM 0 H ARG A 63 1.508 10.435 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.134 9.092 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.404 10.638 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.834 9.459 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.530 10.786 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.302 11.935 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.454 12.842 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.821 12.413 -5.174 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.527 10.057 -5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.723 13.172 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.342 12.697 -8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.370 9.530 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.257 10.671 -8.827 1.00 0.00 H new ATOM 968 N CYS A 64 0.064 7.075 -2.855 1.00 0.00 N ATOM 969 CA CYS A 64 0.869 5.860 -3.196 1.00 0.00 C ATOM 970 C CYS A 64 1.031 5.822 -4.726 1.00 0.00 C ATOM 971 O CYS A 64 0.049 5.715 -5.435 1.00 0.00 O ATOM 972 CB CYS A 64 0.043 4.668 -2.703 1.00 0.00 C ATOM 973 SG CYS A 64 1.157 3.313 -2.239 1.00 0.00 S ATOM 0 H CYS A 64 -0.942 6.922 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 64 1.860 5.851 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.566 4.962 -1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.642 4.339 -3.484 1.00 0.00 H new ATOM 978 N PRO A 65 2.250 5.965 -5.208 1.00 0.00 N ATOM 979 CA PRO A 65 2.468 6.001 -6.680 1.00 0.00 C ATOM 980 C PRO A 65 2.173 4.660 -7.362 1.00 0.00 C ATOM 981 O PRO A 65 1.705 4.633 -8.487 1.00 0.00 O ATOM 982 CB PRO A 65 3.950 6.352 -6.809 1.00 0.00 C ATOM 983 CG PRO A 65 4.562 5.902 -5.522 1.00 0.00 C ATOM 984 CD PRO A 65 3.513 6.091 -4.463 1.00 0.00 C ATOM 0 HA PRO A 65 1.799 6.711 -7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.404 5.846 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.091 7.422 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.869 4.858 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.455 6.484 -5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.594 5.338 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.600 7.065 -3.981 1.00 0.00 H new ATOM 992 N ILE A 66 2.445 3.553 -6.717 1.00 0.00 N ATOM 993 CA ILE A 66 2.178 2.232 -7.372 1.00 0.00 C ATOM 994 C ILE A 66 0.681 1.937 -7.431 1.00 0.00 C ATOM 995 O ILE A 66 0.168 1.522 -8.454 1.00 0.00 O ATOM 996 CB ILE A 66 2.926 1.184 -6.546 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.417 1.564 -6.440 1.00 0.00 C ATOM 998 CG2 ILE A 66 2.793 -0.181 -7.230 1.00 0.00 C ATOM 999 CD1 ILE A 66 5.047 1.656 -7.836 1.00 0.00 C ATOM 0 H ILE A 66 2.836 3.504 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 66 2.523 2.228 -8.406 1.00 0.00 H new ATOM 0 HB ILE A 66 2.499 1.139 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.520 2.519 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.947 0.821 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.324 -0.933 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.740 -0.452 -7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.221 -0.130 -8.231 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.099 1.925 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.962 0.692 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.528 2.416 -8.420 1.00 0.00 H new ATOM 1011 N CYS A 67 -0.028 2.163 -6.354 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.501 1.911 -6.369 1.00 0.00 C ATOM 1013 C CYS A 67 -2.179 2.849 -7.378 1.00 0.00 C ATOM 1014 O CYS A 67 -3.299 2.620 -7.787 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.984 2.187 -4.944 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.345 0.904 -3.833 1.00 0.00 S ATOM 0 H CYS A 67 0.346 2.509 -5.470 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.743 0.892 -6.671 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.644 3.169 -4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.073 2.200 -4.914 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.500 3.904 -7.786 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.085 4.865 -8.776 1.00 0.00 C ATOM 1023 C LYS A 68 -3.441 5.379 -8.294 1.00 0.00 C ATOM 1024 O LYS A 68 -4.290 5.744 -9.087 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.244 4.069 -10.077 1.00 0.00 C ATOM 1026 CG LYS A 68 -0.865 3.731 -10.645 1.00 0.00 C ATOM 1027 CD LYS A 68 -1.031 2.907 -11.923 1.00 0.00 C ATOM 1028 CE LYS A 68 0.344 2.577 -12.505 1.00 0.00 C ATOM 1029 NZ LYS A 68 0.062 1.770 -13.724 1.00 0.00 N ATOM 0 H LYS A 68 -0.559 4.138 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.448 5.739 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.805 3.154 -9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.815 4.649 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.313 4.646 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.284 3.172 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.575 1.988 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.621 3.463 -12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.897 3.484 -12.751 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.950 2.018 -11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.958 1.505 -14.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.459 0.910 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.511 2.331 -14.387 1.00 0.00 H new ATOM 1043 N MET A 69 -3.646 5.416 -7.004 1.00 0.00 N ATOM 1044 CA MET A 69 -4.953 5.915 -6.474 1.00 0.00 C ATOM 1045 C MET A 69 -4.734 6.976 -5.378 1.00 0.00 C ATOM 1046 O MET A 69 -3.858 6.825 -4.550 1.00 0.00 O ATOM 1047 CB MET A 69 -5.653 4.689 -5.895 1.00 0.00 C ATOM 1048 CG MET A 69 -7.152 4.973 -5.801 1.00 0.00 C ATOM 1049 SD MET A 69 -8.051 3.423 -5.561 1.00 0.00 S ATOM 1050 CE MET A 69 -8.960 3.926 -4.080 1.00 0.00 C ATOM 0 H MET A 69 -2.971 5.125 -6.297 1.00 0.00 H new ATOM 0 HA MET A 69 -5.544 6.391 -7.256 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.473 3.819 -6.526 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.251 4.456 -4.909 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.352 5.653 -4.973 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.496 5.467 -6.709 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.595 3.105 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.255 4.183 -3.290 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.579 4.793 -4.310 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.534 8.027 -5.406 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.397 9.104 -4.397 1.00 0.00 C ATOM 1062 C PRO A 70 -6.069 8.709 -3.077 1.00 0.00 C ATOM 1063 O PRO A 70 -7.031 7.964 -3.056 1.00 0.00 O ATOM 1064 CB PRO A 70 -6.116 10.287 -5.035 1.00 0.00 C ATOM 1065 CG PRO A 70 -7.110 9.690 -5.981 1.00 0.00 C ATOM 1066 CD PRO A 70 -6.624 8.311 -6.356 1.00 0.00 C ATOM 0 HA PRO A 70 -4.358 9.320 -4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.611 10.898 -4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.415 10.935 -5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.094 9.634 -5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.213 10.313 -6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.423 7.574 -6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.269 8.283 -7.386 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.573 9.220 -1.980 1.00 0.00 N ATOM 1075 CA LEU A 71 -6.174 8.903 -0.650 1.00 0.00 C ATOM 1076 C LEU A 71 -5.944 10.082 0.313 1.00 0.00 C ATOM 1077 O LEU A 71 -5.374 9.905 1.373 1.00 0.00 O ATOM 1078 CB LEU A 71 -5.441 7.648 -0.158 1.00 0.00 C ATOM 1079 CG LEU A 71 -3.923 7.910 -0.109 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -3.373 7.526 1.266 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.223 7.074 -1.186 1.00 0.00 C ATOM 0 H LEU A 71 -4.770 9.849 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.250 8.736 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.803 7.370 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.653 6.810 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.738 8.969 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.300 7.714 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.866 8.122 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.561 6.468 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.150 7.260 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.414 6.016 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.607 7.351 -2.168 1.00 0.00 H new ATOM 1093 N PRO A 72 -6.382 11.258 -0.085 1.00 0.00 N ATOM 1094 CA PRO A 72 -6.191 12.457 0.772 1.00 0.00 C ATOM 1095 C PRO A 72 -7.075 12.382 2.020 1.00 0.00 C ATOM 1096 O PRO A 72 -8.286 12.476 1.941 1.00 0.00 O ATOM 1097 CB PRO A 72 -6.616 13.615 -0.129 1.00 0.00 C ATOM 1098 CG PRO A 72 -7.547 13.005 -1.125 1.00 0.00 C ATOM 1099 CD PRO A 72 -7.085 11.589 -1.337 1.00 0.00 C ATOM 0 HA PRO A 72 -5.169 12.558 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.109 14.401 0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.756 14.070 -0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.574 13.027 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.531 13.562 -2.062 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.924 10.917 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.424 11.509 -2.200 1.00 0.00 H new ATOM 1107 N THR A 73 -6.470 12.219 3.170 1.00 0.00 N ATOM 1108 CA THR A 73 -7.261 12.144 4.436 1.00 0.00 C ATOM 1109 C THR A 73 -7.883 13.508 4.750 1.00 0.00 C ATOM 1110 O THR A 73 -8.978 13.592 5.274 1.00 0.00 O ATOM 1111 CB THR A 73 -6.253 11.750 5.519 1.00 0.00 C ATOM 1112 OG1 THR A 73 -5.150 12.645 5.484 1.00 0.00 O ATOM 1113 CG2 THR A 73 -5.762 10.324 5.269 1.00 0.00 C ATOM 0 H THR A 73 -5.460 12.134 3.287 1.00 0.00 H new ATOM 0 HA THR A 73 -8.080 11.428 4.368 1.00 0.00 H new ATOM 0 HB THR A 73 -6.732 11.800 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.504 12.396 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.045 10.046 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.608 9.638 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.282 10.270 4.292 1.00 0.00 H new ATOM 1121 N LYS A 74 -7.190 14.573 4.434 1.00 0.00 N ATOM 1122 CA LYS A 74 -7.734 15.937 4.712 1.00 0.00 C ATOM 1123 C LYS A 74 -8.700 16.363 3.605 1.00 0.00 C ATOM 1124 O LYS A 74 -8.450 16.151 2.434 1.00 0.00 O ATOM 1125 CB LYS A 74 -6.514 16.859 4.739 1.00 0.00 C ATOM 1126 CG LYS A 74 -5.648 16.532 5.955 1.00 0.00 C ATOM 1127 CD LYS A 74 -4.419 17.444 5.967 1.00 0.00 C ATOM 1128 CE LYS A 74 -3.524 17.083 7.154 1.00 0.00 C ATOM 1129 NZ LYS A 74 -4.305 17.473 8.361 1.00 0.00 N ATOM 0 H LYS A 74 -6.270 14.556 3.995 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.291 15.970 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.934 16.737 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.834 17.900 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.223 16.667 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.338 15.487 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.865 17.336 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.728 18.487 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.291 16.018 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.575 17.617 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.699 18.022 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.120 18.052 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.641 16.618 8.848 1.00 0.00 H new ATOM 1143 N LEU A 75 -9.800 16.968 3.973 1.00 0.00 N ATOM 1144 CA LEU A 75 -10.792 17.422 2.953 1.00 0.00 C ATOM 1145 C LEU A 75 -10.337 18.741 2.323 1.00 0.00 C ATOM 1146 O LEU A 75 -9.717 19.565 2.968 1.00 0.00 O ATOM 1147 CB LEU A 75 -12.103 17.609 3.728 1.00 0.00 C ATOM 1148 CG LEU A 75 -12.873 16.280 3.805 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -13.256 15.826 2.394 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -12.007 15.204 4.471 1.00 0.00 C ATOM 0 H LEU A 75 -10.055 17.168 4.940 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.904 16.708 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.890 17.972 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.717 18.365 3.239 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.775 16.428 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.802 14.884 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.886 16.583 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.353 15.687 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.563 14.268 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.098 15.056 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.743 15.522 5.480 1.00 0.00 H new ATOM 1162 N ARG A 76 -10.641 18.941 1.065 1.00 0.00 N ATOM 1163 CA ARG A 76 -10.228 20.206 0.375 1.00 0.00 C ATOM 1164 C ARG A 76 -10.758 21.438 1.132 1.00 0.00 C ATOM 1165 O ARG A 76 -11.764 21.354 1.810 1.00 0.00 O ATOM 1166 CB ARG A 76 -10.851 20.125 -1.025 1.00 0.00 C ATOM 1167 CG ARG A 76 -12.377 20.016 -0.917 1.00 0.00 C ATOM 1168 CD ARG A 76 -12.924 19.290 -2.147 1.00 0.00 C ATOM 1169 NE ARG A 76 -14.354 19.000 -1.826 1.00 0.00 N ATOM 1170 CZ ARG A 76 -15.006 18.036 -2.442 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -14.565 17.530 -3.569 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -16.112 17.576 -1.923 1.00 0.00 N ATOM 0 H ARG A 76 -11.159 18.282 0.483 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.144 20.308 0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.582 21.009 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.454 19.262 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -12.651 19.476 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.819 21.010 -0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.838 19.909 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.370 18.372 -2.341 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.833 19.557 -1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.702 17.883 -3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.085 16.784 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.464 17.963 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.624 16.829 -2.393 1.00 0.00 H new ATOM 1186 N PRO A 77 -10.067 22.550 0.996 1.00 0.00 N ATOM 1187 CA PRO A 77 -10.500 23.790 1.686 1.00 0.00 C ATOM 1188 C PRO A 77 -11.787 24.343 1.059 1.00 0.00 C ATOM 1189 O PRO A 77 -12.493 25.124 1.669 1.00 0.00 O ATOM 1190 CB PRO A 77 -9.330 24.750 1.478 1.00 0.00 C ATOM 1191 CG PRO A 77 -8.640 24.257 0.247 1.00 0.00 C ATOM 1192 CD PRO A 77 -8.847 22.766 0.198 1.00 0.00 C ATOM 0 HA PRO A 77 -10.729 23.630 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -9.678 25.775 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.658 24.745 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.051 24.733 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.578 24.499 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.972 22.414 -0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.995 22.231 0.618 1.00 0.00 H new ATOM 1200 N SER A 78 -12.097 23.945 -0.153 1.00 0.00 N ATOM 1201 CA SER A 78 -13.337 24.450 -0.819 1.00 0.00 C ATOM 1202 C SER A 78 -14.574 23.768 -0.228 1.00 0.00 C ATOM 1203 O SER A 78 -14.486 22.704 0.358 1.00 0.00 O ATOM 1204 CB SER A 78 -13.180 24.082 -2.294 1.00 0.00 C ATOM 1205 OG SER A 78 -13.247 22.668 -2.434 1.00 0.00 O ATOM 0 H SER A 78 -11.544 23.292 -0.708 1.00 0.00 H new ATOM 0 HA SER A 78 -13.467 25.523 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.964 24.555 -2.885 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.228 24.452 -2.674 1.00 0.00 H new ATOM 0 HG SER A 78 -13.148 22.428 -3.379 1.00 0.00 H new ATOM 1211 N ALA A 79 -15.723 24.375 -0.381 1.00 0.00 N ATOM 1212 CA ALA A 79 -16.974 23.771 0.165 1.00 0.00 C ATOM 1213 C ALA A 79 -18.196 24.351 -0.557 1.00 0.00 C ATOM 1214 O ALA A 79 -18.955 25.119 0.004 1.00 0.00 O ATOM 1215 CB ALA A 79 -16.985 24.156 1.645 1.00 0.00 C ATOM 0 H ALA A 79 -15.848 25.266 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.009 22.690 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -17.877 23.748 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.097 23.753 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -16.988 25.242 1.738 1.00 0.00 H new ATOM 1221 N ALA A 80 -18.389 23.982 -1.802 1.00 0.00 N ATOM 1222 CA ALA A 80 -19.558 24.497 -2.593 1.00 0.00 C ATOM 1223 C ALA A 80 -19.527 26.033 -2.665 1.00 0.00 C ATOM 1224 O ALA A 80 -18.822 26.670 -1.908 1.00 0.00 O ATOM 1225 CB ALA A 80 -20.813 24.020 -1.852 1.00 0.00 C ATOM 0 H ALA A 80 -17.781 23.340 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 80 -19.536 24.130 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -21.701 24.365 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -20.817 22.931 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -20.814 24.425 -0.840 1.00 0.00 H new ATOM 1231 N PRO A 81 -20.292 26.591 -3.582 1.00 0.00 N ATOM 1232 CA PRO A 81 -20.327 28.066 -3.728 1.00 0.00 C ATOM 1233 C PRO A 81 -21.152 28.693 -2.600 1.00 0.00 C ATOM 1234 O PRO A 81 -22.280 29.105 -2.798 1.00 0.00 O ATOM 1235 CB PRO A 81 -21.008 28.281 -5.076 1.00 0.00 C ATOM 1236 CG PRO A 81 -21.839 27.057 -5.295 1.00 0.00 C ATOM 1237 CD PRO A 81 -21.178 25.923 -4.552 1.00 0.00 C ATOM 0 HA PRO A 81 -19.339 28.523 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -21.625 29.179 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.274 28.407 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.855 27.213 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.912 26.828 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -21.913 25.293 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.615 25.279 -5.228 1.00 0.00 H new ATOM 1245 N THR A 82 -20.593 28.771 -1.422 1.00 0.00 N ATOM 1246 CA THR A 82 -21.335 29.376 -0.277 1.00 0.00 C ATOM 1247 C THR A 82 -20.494 30.477 0.369 1.00 0.00 C ATOM 1248 O THR A 82 -19.332 30.286 0.670 1.00 0.00 O ATOM 1249 CB THR A 82 -21.573 28.230 0.708 1.00 0.00 C ATOM 1250 OG1 THR A 82 -22.285 27.188 0.056 1.00 0.00 O ATOM 1251 CG2 THR A 82 -22.389 28.740 1.898 1.00 0.00 C ATOM 0 H THR A 82 -19.653 28.441 -1.203 1.00 0.00 H new ATOM 0 HA THR A 82 -22.273 29.833 -0.592 1.00 0.00 H new ATOM 0 HB THR A 82 -20.615 27.850 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 82 -22.437 26.452 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 82 -22.558 27.923 2.600 1.00 0.00 H new ATOM 0 HG22 THR A 82 -21.843 29.540 2.398 1.00 0.00 H new ATOM 0 HG23 THR A 82 -23.348 29.120 1.545 1.00 0.00 H new ATOM 1259 N ALA A 83 -21.079 31.629 0.584 1.00 0.00 N ATOM 1260 CA ALA A 83 -20.332 32.763 1.215 1.00 0.00 C ATOM 1261 C ALA A 83 -19.030 33.058 0.451 1.00 0.00 C ATOM 1262 O ALA A 83 -17.956 32.983 1.018 1.00 0.00 O ATOM 1263 CB ALA A 83 -20.021 32.304 2.646 1.00 0.00 C ATOM 0 H ALA A 83 -22.050 31.835 0.348 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.917 33.682 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.473 33.088 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.953 32.099 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.416 31.398 2.614 1.00 0.00 H new ATOM 1269 N PRO A 84 -19.153 33.403 -0.814 1.00 0.00 N ATOM 1270 CA PRO A 84 -17.947 33.723 -1.609 1.00 0.00 C ATOM 1271 C PRO A 84 -17.101 34.870 -0.992 1.00 0.00 C ATOM 1272 O PRO A 84 -15.897 34.858 -1.162 1.00 0.00 O ATOM 1273 CB PRO A 84 -18.497 34.038 -3.007 1.00 0.00 C ATOM 1274 CG PRO A 84 -19.930 34.390 -2.787 1.00 0.00 C ATOM 1275 CD PRO A 84 -20.382 33.539 -1.620 1.00 0.00 C ATOM 0 HA PRO A 84 -17.234 32.899 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -17.954 34.863 -3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -18.399 33.180 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -20.044 35.451 -2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -20.525 34.184 -3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.183 34.018 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -20.759 32.570 -1.949 1.00 0.00 H new ATOM 1283 N PRO A 85 -17.701 35.818 -0.274 1.00 0.00 N ATOM 1284 CA PRO A 85 -16.912 36.893 0.348 1.00 0.00 C ATOM 1285 C PRO A 85 -16.704 36.559 1.828 1.00 0.00 C ATOM 1286 O PRO A 85 -17.431 35.762 2.390 1.00 0.00 O ATOM 1287 CB PRO A 85 -17.826 38.105 0.203 1.00 0.00 C ATOM 1288 CG PRO A 85 -19.220 37.541 0.113 1.00 0.00 C ATOM 1289 CD PRO A 85 -19.111 36.033 0.049 1.00 0.00 C ATOM 0 HA PRO A 85 -15.927 37.045 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -17.727 38.777 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.577 38.682 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.810 37.844 0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -19.730 37.924 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -19.383 35.568 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -19.768 35.613 -0.713 1.00 0.00 H new ATOM 1297 N THR A 86 -15.738 37.164 2.464 1.00 0.00 N ATOM 1298 CA THR A 86 -15.512 36.884 3.914 1.00 0.00 C ATOM 1299 C THR A 86 -16.475 37.723 4.759 1.00 0.00 C ATOM 1300 O THR A 86 -17.061 38.676 4.280 1.00 0.00 O ATOM 1301 CB THR A 86 -14.065 37.293 4.174 1.00 0.00 C ATOM 1302 OG1 THR A 86 -13.827 38.571 3.600 1.00 0.00 O ATOM 1303 CG2 THR A 86 -13.125 36.262 3.548 1.00 0.00 C ATOM 0 H THR A 86 -15.097 37.838 2.046 1.00 0.00 H new ATOM 0 HA THR A 86 -15.687 35.840 4.173 1.00 0.00 H new ATOM 0 HB THR A 86 -13.884 37.340 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.899 38.837 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 86 -12.091 36.553 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.311 35.284 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.302 36.214 2.474 1.00 0.00 H new ATOM 1311 N GLY A 87 -16.642 37.375 6.010 1.00 0.00 N ATOM 1312 CA GLY A 87 -17.566 38.153 6.889 1.00 0.00 C ATOM 1313 C GLY A 87 -16.775 39.237 7.620 1.00 0.00 C ATOM 1314 O GLY A 87 -15.564 39.310 7.512 1.00 0.00 O ATOM 0 H GLY A 87 -16.178 36.586 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.359 38.605 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.046 37.490 7.608 1.00 0.00 H new ATOM 1318 N ALA A 88 -17.448 40.079 8.362 1.00 0.00 N ATOM 1319 CA ALA A 88 -16.736 41.162 9.104 1.00 0.00 C ATOM 1320 C ALA A 88 -17.565 41.612 10.310 1.00 0.00 C ATOM 1321 O ALA A 88 -18.776 41.485 10.322 1.00 0.00 O ATOM 1322 CB ALA A 88 -16.591 42.303 8.097 1.00 0.00 C ATOM 0 H ALA A 88 -18.460 40.063 8.486 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.771 40.833 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.075 43.140 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.015 41.959 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -17.579 42.624 7.767 1.00 0.00 H new ATOM 1328 N ALA A 89 -16.920 42.134 11.321 1.00 0.00 N ATOM 1329 CA ALA A 89 -17.662 42.596 12.531 1.00 0.00 C ATOM 1330 C ALA A 89 -17.737 44.125 12.552 1.00 0.00 C ATOM 1331 O ALA A 89 -16.738 44.805 12.412 1.00 0.00 O ATOM 1332 CB ALA A 89 -16.844 42.083 13.716 1.00 0.00 C ATOM 0 H ALA A 89 -15.909 42.260 11.360 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.687 42.227 12.554 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.325 42.382 14.647 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.783 40.996 13.672 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.840 42.505 13.675 1.00 0.00 H new ATOM 1338 N ASP A 90 -18.916 44.666 12.728 1.00 0.00 N ATOM 1339 CA ASP A 90 -19.067 46.151 12.760 1.00 0.00 C ATOM 1340 C ASP A 90 -19.105 46.649 14.206 1.00 0.00 C ATOM 1341 O ASP A 90 -20.045 46.388 14.934 1.00 0.00 O ATOM 1342 CB ASP A 90 -20.400 46.430 12.064 1.00 0.00 C ATOM 1343 CG ASP A 90 -20.501 47.920 11.720 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -19.468 48.527 11.482 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -21.610 48.428 11.696 1.00 0.00 O ATOM 0 H ASP A 90 -19.782 44.141 12.851 1.00 0.00 H new ATOM 0 HA ASP A 90 -18.236 46.659 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -20.480 45.831 11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -21.227 46.139 12.712 1.00 0.00 H new ATOM 1350 N SER A 91 -18.093 47.364 14.624 1.00 0.00 N ATOM 1351 CA SER A 91 -18.069 47.885 16.026 1.00 0.00 C ATOM 1352 C SER A 91 -19.199 48.898 16.225 1.00 0.00 C ATOM 1353 O SER A 91 -19.475 49.706 15.359 1.00 0.00 O ATOM 1354 CB SER A 91 -16.709 48.563 16.183 1.00 0.00 C ATOM 1355 OG SER A 91 -16.609 49.119 17.488 1.00 0.00 O ATOM 0 H SER A 91 -17.282 47.610 14.057 1.00 0.00 H new ATOM 0 HA SER A 91 -18.211 47.094 16.762 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.909 47.841 16.021 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.590 49.344 15.432 1.00 0.00 H new ATOM 0 HG SER A 91 -15.737 49.553 17.593 1.00 0.00 H new ATOM 1361 N ILE A 92 -19.847 48.862 17.361 1.00 0.00 N ATOM 1362 CA ILE A 92 -20.959 49.824 17.623 1.00 0.00 C ATOM 1363 C ILE A 92 -20.556 50.790 18.741 1.00 0.00 C ATOM 1364 O ILE A 92 -20.111 50.380 19.797 1.00 0.00 O ATOM 1365 CB ILE A 92 -22.149 48.958 18.053 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -22.517 47.998 16.919 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -23.354 49.851 18.363 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -23.547 46.985 17.421 1.00 0.00 C ATOM 0 H ILE A 92 -19.654 48.207 18.119 1.00 0.00 H new ATOM 0 HA ILE A 92 -21.201 50.429 16.749 1.00 0.00 H new ATOM 0 HB ILE A 92 -21.876 48.392 18.943 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -22.921 48.555 16.074 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -21.626 47.481 16.563 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -24.197 49.231 18.668 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -23.099 50.539 19.169 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -23.625 50.419 17.473 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -23.809 46.302 16.613 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -23.126 46.420 18.252 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -24.441 47.511 17.756 1.00 0.00 H new ATOM 1380 N ARG A 93 -20.704 52.069 18.511 1.00 0.00 N ATOM 1381 CA ARG A 93 -20.326 53.073 19.553 1.00 0.00 C ATOM 1382 C ARG A 93 -21.484 54.055 19.799 1.00 0.00 C ATOM 1383 O ARG A 93 -22.344 54.209 18.955 1.00 0.00 O ATOM 1384 CB ARG A 93 -19.107 53.809 18.983 1.00 0.00 C ATOM 1385 CG ARG A 93 -19.453 54.428 17.624 1.00 0.00 C ATOM 1386 CD ARG A 93 -18.641 55.708 17.424 1.00 0.00 C ATOM 1387 NE ARG A 93 -18.489 55.838 15.947 1.00 0.00 N ATOM 1388 CZ ARG A 93 -19.158 56.752 15.300 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -20.461 56.781 15.375 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -18.526 57.635 14.577 1.00 0.00 N ATOM 0 H ARG A 93 -21.071 52.463 17.645 1.00 0.00 H new ATOM 0 HA ARG A 93 -20.104 52.602 20.510 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -18.786 54.588 19.675 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -18.273 53.116 18.874 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -19.237 53.719 16.824 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -20.519 54.650 17.574 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -19.155 56.572 17.846 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -17.671 55.642 17.917 1.00 0.00 H new ATOM 0 HE ARG A 93 -17.862 55.212 15.442 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -20.955 56.089 15.939 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -20.985 57.495 14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -17.508 57.611 14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -19.050 58.349 14.071 1.00 0.00 H new ATOM 1404 N PRO A 94 -21.477 54.690 20.953 1.00 0.00 N ATOM 1405 CA PRO A 94 -22.553 55.658 21.288 1.00 0.00 C ATOM 1406 C PRO A 94 -22.403 56.945 20.457 1.00 0.00 C ATOM 1407 O PRO A 94 -21.369 57.169 19.859 1.00 0.00 O ATOM 1408 CB PRO A 94 -22.335 55.941 22.772 1.00 0.00 C ATOM 1409 CG PRO A 94 -20.889 55.651 23.014 1.00 0.00 C ATOM 1410 CD PRO A 94 -20.488 54.574 22.040 1.00 0.00 C ATOM 0 HA PRO A 94 -23.551 55.275 21.074 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -22.576 56.976 23.016 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -22.973 55.311 23.392 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -20.286 56.547 22.868 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.728 55.322 24.041 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -19.473 54.725 21.674 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -20.517 53.587 22.502 1.00 0.00 H new ATOM 1418 N PRO A 95 -23.443 57.754 20.442 1.00 0.00 N ATOM 1419 CA PRO A 95 -23.400 59.022 19.667 1.00 0.00 C ATOM 1420 C PRO A 95 -22.516 60.062 20.374 1.00 0.00 C ATOM 1421 O PRO A 95 -22.180 59.894 21.530 1.00 0.00 O ATOM 1422 CB PRO A 95 -24.855 59.484 19.649 1.00 0.00 C ATOM 1423 CG PRO A 95 -25.475 58.862 20.858 1.00 0.00 C ATOM 1424 CD PRO A 95 -24.737 57.577 21.125 1.00 0.00 C ATOM 0 HA PRO A 95 -22.981 58.892 18.669 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -24.924 60.571 19.685 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -25.359 59.163 18.738 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -25.404 59.532 21.715 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -26.535 58.670 20.691 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -24.603 57.409 22.194 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -25.280 56.717 20.733 1.00 0.00 H new ATOM 1432 N PRO A 96 -22.166 61.113 19.663 1.00 0.00 N ATOM 1433 CA PRO A 96 -21.319 62.176 20.261 1.00 0.00 C ATOM 1434 C PRO A 96 -22.129 62.983 21.279 1.00 0.00 C ATOM 1435 O PRO A 96 -23.305 63.231 21.087 1.00 0.00 O ATOM 1436 CB PRO A 96 -20.926 63.042 19.067 1.00 0.00 C ATOM 1437 CG PRO A 96 -22.009 62.823 18.060 1.00 0.00 C ATOM 1438 CD PRO A 96 -22.519 61.421 18.265 1.00 0.00 C ATOM 0 HA PRO A 96 -20.453 61.787 20.796 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -20.854 64.093 19.348 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.953 62.751 18.671 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -22.811 63.549 18.192 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -21.626 62.951 17.047 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -23.595 61.360 18.103 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -22.052 60.721 17.572 1.00 0.00 H new ATOM 1446 N TYR A 97 -21.510 63.396 22.357 1.00 0.00 N ATOM 1447 CA TYR A 97 -22.247 64.190 23.386 1.00 0.00 C ATOM 1448 C TYR A 97 -21.493 65.485 23.700 1.00 0.00 C ATOM 1449 O TYR A 97 -22.074 66.549 23.781 1.00 0.00 O ATOM 1450 CB TYR A 97 -22.302 63.289 24.620 1.00 0.00 C ATOM 1451 CG TYR A 97 -23.132 63.954 25.692 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -24.528 63.969 25.586 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -22.507 64.556 26.791 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -25.299 64.585 26.578 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -23.279 65.172 27.784 1.00 0.00 C ATOM 1456 CZ TYR A 97 -24.675 65.188 27.678 1.00 0.00 C ATOM 1457 OH TYR A 97 -25.435 65.795 28.655 1.00 0.00 O ATOM 0 H TYR A 97 -20.528 63.218 22.568 1.00 0.00 H new ATOM 0 HA TYR A 97 -23.242 64.478 23.047 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -22.733 62.322 24.359 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -21.295 63.099 24.990 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -25.010 63.505 24.738 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -21.430 64.545 26.873 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -26.376 64.596 26.496 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.797 65.635 28.632 1.00 0.00 H new ATOM 0 HH TYR A 97 -24.846 66.162 29.347 1.00 0.00 H new ATOM 1467 N SER A 98 -20.197 65.395 23.885 1.00 0.00 N ATOM 1468 CA SER A 98 -19.374 66.609 24.202 1.00 0.00 C ATOM 1469 C SER A 98 -17.896 66.205 24.372 1.00 0.00 C ATOM 1470 O SER A 98 -17.045 66.706 23.664 1.00 0.00 O ATOM 1471 CB SER A 98 -19.953 67.180 25.514 1.00 0.00 C ATOM 1472 OG SER A 98 -18.909 67.719 26.323 1.00 0.00 O ATOM 0 H SER A 98 -19.668 64.524 23.830 1.00 0.00 H new ATOM 0 HA SER A 98 -19.411 67.353 23.407 1.00 0.00 H new ATOM 0 HB2 SER A 98 -20.685 67.956 25.289 1.00 0.00 H new ATOM 0 HB3 SER A 98 -20.477 66.396 26.060 1.00 0.00 H new ATOM 0 HG SER A 98 -19.290 68.079 27.151 1.00 0.00 H new ATOM 1478 N PRO A 99 -17.628 65.311 25.305 1.00 0.00 N ATOM 1479 CA PRO A 99 -16.228 64.870 25.534 1.00 0.00 C ATOM 1480 C PRO A 99 -15.755 63.974 24.386 1.00 0.00 C ATOM 1481 O PRO A 99 -16.553 63.705 23.501 1.00 0.00 O ATOM 1482 CB PRO A 99 -16.303 64.086 26.842 1.00 0.00 C ATOM 1483 CG PRO A 99 -17.719 63.618 26.934 1.00 0.00 C ATOM 1484 CD PRO A 99 -18.567 64.636 26.221 1.00 0.00 C ATOM 1485 OXT PRO A 99 -14.604 63.572 24.409 1.00 0.00 O ATOM 0 HA PRO A 99 -15.522 65.699 25.583 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.609 63.245 26.838 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -16.039 64.713 27.693 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -17.831 62.635 26.477 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -18.026 63.522 27.975 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -19.384 64.163 25.676 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -19.017 65.340 26.921 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.562 -2.014 -2.280 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.593 1.102 -2.598 1.00 0.00 ZN