USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=21 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 141:sc= -0.166 (180deg=-1.02) USER MOD Single : A 1 MET N :NH3+ -132:sc=-0.00637 (180deg=-0.771) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) 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=-0.001) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.9 USER MOD Single : A 18 SER OG : rot -157:sc= -0.701 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=-0.0098) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -0.0489 (180deg=-0.974) USER MOD Single : A 33 SER OG : rot -150:sc= 0.0118 USER MOD Single : A 38 ASN : amide:sc= -4.19 K(o=-4.2,f=-6.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.839 K(o=-0.84,f=-5.1!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.281 F(o=-0.99,f=-0.28) USER MOD Single : A 48 TYR OH : rot 16:sc= 1.15 USER MOD Single : A 52 ASN : amide:sc= -0.025 K(o=-0.025,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot -146:sc= -1.16 USER MOD Single : A 59 SER OG : rot 179:sc= -5.6! USER MOD Single : A 61 SER OG : rot 160:sc= -0.0445 USER MOD Single : A 62 ASN : amide:sc= -0.858 K(o=-0.86,f=-3.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -108:sc= -0.0545 (180deg=-0.345) USER MOD Single : A 73 THR OG1 : rot 36:sc= 0.189 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 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 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.442 -32.701 -48.496 1.00 0.00 N ATOM 2 CA MET A 1 -20.974 -32.907 -48.323 1.00 0.00 C ATOM 3 C MET A 1 -20.619 -32.933 -46.833 1.00 0.00 C ATOM 4 O MET A 1 -21.490 -32.956 -45.983 1.00 0.00 O ATOM 5 CB MET A 1 -20.315 -31.707 -49.009 1.00 0.00 C ATOM 6 CG MET A 1 -20.523 -31.801 -50.521 1.00 0.00 C ATOM 7 SD MET A 1 -19.817 -30.335 -51.316 1.00 0.00 S ATOM 8 CE MET A 1 -18.079 -30.716 -50.990 1.00 0.00 C ATOM 0 H1 MET A 1 -22.812 -33.396 -49.176 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.920 -32.824 -47.581 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.618 -31.740 -48.852 1.00 0.00 H new ATOM 0 HA MET A 1 -20.638 -33.852 -48.750 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.743 -30.779 -48.630 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.250 -31.684 -48.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.049 -32.703 -50.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.586 -31.876 -50.749 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.477 -30.441 -51.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.740 -30.154 -50.120 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.970 -31.783 -50.797 1.00 0.00 H new ATOM 20 N GLY A 2 -19.350 -32.928 -46.513 1.00 0.00 N ATOM 21 CA GLY A 2 -18.936 -32.950 -45.078 1.00 0.00 C ATOM 22 C GLY A 2 -19.387 -34.264 -44.436 1.00 0.00 C ATOM 23 O GLY A 2 -19.903 -34.279 -43.334 1.00 0.00 O ATOM 0 H GLY A 2 -18.582 -32.910 -47.184 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.854 -32.847 -44.999 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.376 -32.105 -44.549 1.00 0.00 H new ATOM 27 N ASN A 3 -19.197 -35.364 -45.119 1.00 0.00 N ATOM 28 CA ASN A 3 -19.618 -36.684 -44.555 1.00 0.00 C ATOM 29 C ASN A 3 -18.853 -36.977 -43.262 1.00 0.00 C ATOM 30 O ASN A 3 -19.411 -37.475 -42.301 1.00 0.00 O ATOM 31 CB ASN A 3 -19.259 -37.715 -45.629 1.00 0.00 C ATOM 32 CG ASN A 3 -20.331 -37.715 -46.721 1.00 0.00 C ATOM 33 OD1 ASN A 3 -20.128 -37.170 -47.788 1.00 0.00 O ATOM 34 ND2 ASN A 3 -21.471 -38.312 -46.499 1.00 0.00 N ATOM 0 H ASN A 3 -18.768 -35.406 -46.044 1.00 0.00 H new ATOM 0 HA ASN A 3 -20.680 -36.703 -44.311 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -18.286 -37.481 -46.061 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -19.180 -38.707 -45.183 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -22.191 -38.321 -47.221 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -21.641 -38.769 -45.603 1.00 0.00 H new ATOM 41 N LYS A 4 -17.580 -36.679 -43.235 1.00 0.00 N ATOM 42 CA LYS A 4 -16.767 -36.942 -42.006 1.00 0.00 C ATOM 43 C LYS A 4 -17.268 -36.098 -40.831 1.00 0.00 C ATOM 44 O LYS A 4 -17.366 -36.574 -39.717 1.00 0.00 O ATOM 45 CB LYS A 4 -15.336 -36.548 -42.379 1.00 0.00 C ATOM 46 CG LYS A 4 -14.811 -37.483 -43.473 1.00 0.00 C ATOM 47 CD LYS A 4 -14.664 -38.901 -42.917 1.00 0.00 C ATOM 48 CE LYS A 4 -14.125 -39.825 -44.010 1.00 0.00 C ATOM 49 NZ LYS A 4 -13.991 -41.155 -43.353 1.00 0.00 N ATOM 0 H LYS A 4 -17.066 -36.264 -44.012 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.835 -37.983 -41.691 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.312 -35.515 -42.727 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.693 -36.603 -41.501 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.495 -37.485 -44.322 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.849 -37.125 -43.839 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.988 -38.899 -42.062 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.628 -39.265 -42.561 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.806 -39.871 -44.860 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.166 -39.472 -44.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.626 -41.846 -44.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.332 -41.082 -42.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.921 -41.468 -43.009 1.00 0.00 H new ATOM 63 N GLN A 5 -17.582 -34.844 -41.067 1.00 0.00 N ATOM 64 CA GLN A 5 -18.074 -33.956 -39.959 1.00 0.00 C ATOM 65 C GLN A 5 -17.102 -33.991 -38.771 1.00 0.00 C ATOM 66 O GLN A 5 -17.403 -34.534 -37.725 1.00 0.00 O ATOM 67 CB GLN A 5 -19.437 -34.530 -39.556 1.00 0.00 C ATOM 68 CG GLN A 5 -20.072 -33.648 -38.478 1.00 0.00 C ATOM 69 CD GLN A 5 -21.410 -34.253 -38.055 1.00 0.00 C ATOM 70 OE1 GLN A 5 -21.458 -35.355 -37.547 1.00 0.00 O ATOM 71 NE2 GLN A 5 -22.509 -33.575 -38.248 1.00 0.00 N ATOM 0 H GLN A 5 -17.519 -34.395 -41.981 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.149 -32.915 -40.274 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -20.091 -34.584 -40.426 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.318 -35.547 -39.183 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.407 -33.569 -37.618 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.221 -32.638 -38.859 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.469 -32.649 -38.675 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -23.408 -33.971 -37.972 1.00 0.00 H new ATOM 80 N ALA A 6 -15.937 -33.419 -38.933 1.00 0.00 N ATOM 81 CA ALA A 6 -14.938 -33.418 -37.822 1.00 0.00 C ATOM 82 C ALA A 6 -14.033 -32.192 -37.930 1.00 0.00 C ATOM 83 O ALA A 6 -13.734 -31.726 -39.012 1.00 0.00 O ATOM 84 CB ALA A 6 -14.129 -34.699 -38.021 1.00 0.00 C ATOM 0 H ALA A 6 -15.634 -32.952 -39.788 1.00 0.00 H new ATOM 0 HA ALA A 6 -15.409 -33.380 -36.840 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.370 -34.775 -37.242 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.793 -35.561 -37.965 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.646 -34.676 -38.998 1.00 0.00 H new ATOM 90 N LYS A 7 -13.591 -31.662 -36.812 1.00 0.00 N ATOM 91 CA LYS A 7 -12.697 -30.458 -36.836 1.00 0.00 C ATOM 92 C LYS A 7 -13.340 -29.333 -37.656 1.00 0.00 C ATOM 93 O LYS A 7 -12.789 -28.876 -38.640 1.00 0.00 O ATOM 94 CB LYS A 7 -11.398 -30.933 -37.494 1.00 0.00 C ATOM 95 CG LYS A 7 -10.249 -30.016 -37.080 1.00 0.00 C ATOM 96 CD LYS A 7 -8.935 -30.574 -37.626 1.00 0.00 C ATOM 97 CE LYS A 7 -7.782 -29.661 -37.210 1.00 0.00 C ATOM 98 NZ LYS A 7 -6.562 -30.314 -37.758 1.00 0.00 N ATOM 0 H LYS A 7 -13.812 -32.013 -35.880 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.521 -30.059 -35.837 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.182 -31.959 -37.197 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.506 -30.931 -38.579 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.416 -29.009 -37.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.202 -29.941 -35.994 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.770 -31.582 -37.246 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.982 -30.646 -38.713 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.908 -28.656 -37.614 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.726 -29.564 -36.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.725 -29.747 -37.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.465 -31.266 -37.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.642 -30.386 -38.792 1.00 0.00 H new ATOM 112 N ALA A 8 -14.510 -28.896 -37.262 1.00 0.00 N ATOM 113 CA ALA A 8 -15.202 -27.811 -38.022 1.00 0.00 C ATOM 114 C ALA A 8 -14.351 -26.530 -38.025 1.00 0.00 C ATOM 115 O ALA A 8 -13.655 -26.257 -37.066 1.00 0.00 O ATOM 116 CB ALA A 8 -16.524 -27.577 -37.289 1.00 0.00 C ATOM 0 H ALA A 8 -15.015 -29.244 -36.447 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.363 -28.086 -39.064 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.086 -26.791 -37.794 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.108 -28.497 -37.289 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.322 -27.276 -36.261 1.00 0.00 H new ATOM 122 N PRO A 9 -14.429 -25.781 -39.105 1.00 0.00 N ATOM 123 CA PRO A 9 -13.644 -24.525 -39.207 1.00 0.00 C ATOM 124 C PRO A 9 -14.221 -23.448 -38.279 1.00 0.00 C ATOM 125 O PRO A 9 -13.562 -22.475 -37.965 1.00 0.00 O ATOM 126 CB PRO A 9 -13.793 -24.122 -40.671 1.00 0.00 C ATOM 127 CG PRO A 9 -15.067 -24.759 -41.123 1.00 0.00 C ATOM 128 CD PRO A 9 -15.244 -26.015 -40.312 1.00 0.00 C ATOM 0 HA PRO A 9 -12.603 -24.650 -38.910 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.834 -23.038 -40.779 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.947 -24.470 -41.264 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.909 -24.083 -40.976 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.026 -24.990 -42.187 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.291 -26.183 -40.060 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.903 -26.894 -40.859 1.00 0.00 H new ATOM 136 N GLU A 10 -15.450 -23.609 -37.848 1.00 0.00 N ATOM 137 CA GLU A 10 -16.073 -22.594 -36.949 1.00 0.00 C ATOM 138 C GLU A 10 -15.985 -23.046 -35.492 1.00 0.00 C ATOM 139 O GLU A 10 -16.539 -24.062 -35.112 1.00 0.00 O ATOM 140 CB GLU A 10 -17.533 -22.520 -37.396 1.00 0.00 C ATOM 141 CG GLU A 10 -17.607 -21.958 -38.819 1.00 0.00 C ATOM 142 CD GLU A 10 -17.104 -20.508 -38.838 1.00 0.00 C ATOM 143 OE1 GLU A 10 -17.120 -19.874 -37.795 1.00 0.00 O ATOM 144 OE2 GLU A 10 -16.723 -20.054 -39.904 1.00 0.00 O ATOM 0 H GLU A 10 -16.047 -24.402 -38.082 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.573 -21.627 -37.010 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.985 -23.511 -37.362 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.101 -21.887 -36.714 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.005 -22.569 -39.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.634 -22.000 -39.182 1.00 0.00 H new ATOM 151 N SER A 11 -15.299 -22.293 -34.675 1.00 0.00 N ATOM 152 CA SER A 11 -15.171 -22.657 -33.235 1.00 0.00 C ATOM 153 C SER A 11 -14.844 -21.411 -32.416 1.00 0.00 C ATOM 154 O SER A 11 -14.354 -20.429 -32.941 1.00 0.00 O ATOM 155 CB SER A 11 -14.014 -23.652 -33.181 1.00 0.00 C ATOM 156 OG SER A 11 -12.873 -23.079 -33.807 1.00 0.00 O ATOM 0 H SER A 11 -14.818 -21.435 -34.946 1.00 0.00 H new ATOM 0 HA SER A 11 -16.089 -23.080 -32.827 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.786 -23.907 -32.146 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.292 -24.579 -33.683 1.00 0.00 H new ATOM 0 HG SER A 11 -12.128 -23.714 -33.773 1.00 0.00 H new ATOM 162 N LYS A 12 -15.104 -21.440 -31.130 1.00 0.00 N ATOM 163 CA LYS A 12 -14.805 -20.252 -30.264 1.00 0.00 C ATOM 164 C LYS A 12 -15.437 -18.984 -30.853 1.00 0.00 C ATOM 165 O LYS A 12 -14.752 -18.121 -31.371 1.00 0.00 O ATOM 166 CB LYS A 12 -13.278 -20.140 -30.252 1.00 0.00 C ATOM 167 CG LYS A 12 -12.802 -19.706 -28.867 1.00 0.00 C ATOM 168 CD LYS A 12 -11.275 -19.751 -28.824 1.00 0.00 C ATOM 169 CE LYS A 12 -10.788 -19.306 -27.445 1.00 0.00 C ATOM 170 NZ LYS A 12 -9.304 -19.401 -27.517 1.00 0.00 N ATOM 0 H LYS A 12 -15.511 -22.237 -30.641 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.212 -20.366 -29.259 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.832 -21.099 -30.516 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.951 -19.419 -31.001 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.154 -18.698 -28.647 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.219 -20.363 -28.104 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.925 -20.761 -29.036 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.860 -19.101 -29.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.109 -18.289 -27.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.188 -19.946 -26.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.893 -19.111 -26.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.029 -20.382 -27.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.952 -18.776 -28.270 1.00 0.00 H new ATOM 184 N ASP A 13 -16.739 -18.874 -30.786 1.00 0.00 N ATOM 185 CA ASP A 13 -17.418 -17.668 -31.350 1.00 0.00 C ATOM 186 C ASP A 13 -17.006 -16.424 -30.564 1.00 0.00 C ATOM 187 O ASP A 13 -17.031 -16.410 -29.348 1.00 0.00 O ATOM 188 CB ASP A 13 -18.917 -17.928 -31.189 1.00 0.00 C ATOM 189 CG ASP A 13 -19.701 -16.797 -31.858 1.00 0.00 C ATOM 190 OD1 ASP A 13 -19.575 -16.648 -33.062 1.00 0.00 O ATOM 191 OD2 ASP A 13 -20.412 -16.099 -31.154 1.00 0.00 O ATOM 0 H ASP A 13 -17.360 -19.565 -30.366 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.150 -17.498 -32.393 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -19.182 -18.885 -31.638 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -19.176 -17.990 -30.132 1.00 0.00 H new ATOM 196 N SER A 14 -16.631 -15.374 -31.254 1.00 0.00 N ATOM 197 CA SER A 14 -16.213 -14.109 -30.566 1.00 0.00 C ATOM 198 C SER A 14 -15.031 -14.373 -29.616 1.00 0.00 C ATOM 199 O SER A 14 -14.718 -15.513 -29.329 1.00 0.00 O ATOM 200 CB SER A 14 -17.443 -13.633 -29.782 1.00 0.00 C ATOM 201 OG SER A 14 -17.677 -12.260 -30.063 1.00 0.00 O ATOM 0 H SER A 14 -16.596 -15.338 -32.273 1.00 0.00 H new ATOM 0 HA SER A 14 -15.879 -13.356 -31.280 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.315 -14.226 -30.057 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.285 -13.775 -28.713 1.00 0.00 H new ATOM 0 HG SER A 14 -18.463 -11.954 -29.565 1.00 0.00 H new ATOM 207 N PRO A 15 -14.404 -13.310 -29.158 1.00 0.00 N ATOM 208 CA PRO A 15 -13.247 -13.453 -28.238 1.00 0.00 C ATOM 209 C PRO A 15 -13.727 -13.795 -26.824 1.00 0.00 C ATOM 210 O PRO A 15 -14.443 -13.033 -26.203 1.00 0.00 O ATOM 211 CB PRO A 15 -12.596 -12.073 -28.262 1.00 0.00 C ATOM 212 CG PRO A 15 -13.690 -11.125 -28.639 1.00 0.00 C ATOM 213 CD PRO A 15 -14.700 -11.895 -29.448 1.00 0.00 C ATOM 0 HA PRO A 15 -12.564 -14.250 -28.533 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.175 -11.820 -27.289 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.779 -12.036 -28.982 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.155 -10.703 -27.748 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.292 -10.291 -29.217 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -15.719 -11.636 -29.161 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -14.604 -11.679 -30.512 1.00 0.00 H new ATOM 221 N ARG A 16 -13.334 -14.936 -26.311 1.00 0.00 N ATOM 222 CA ARG A 16 -13.766 -15.332 -24.932 1.00 0.00 C ATOM 223 C ARG A 16 -13.217 -14.341 -23.899 1.00 0.00 C ATOM 224 O ARG A 16 -13.910 -13.936 -22.984 1.00 0.00 O ATOM 225 CB ARG A 16 -13.169 -16.724 -24.705 1.00 0.00 C ATOM 226 CG ARG A 16 -13.624 -17.258 -23.345 1.00 0.00 C ATOM 227 CD ARG A 16 -13.026 -18.648 -23.111 1.00 0.00 C ATOM 228 NE ARG A 16 -13.651 -19.129 -21.847 1.00 0.00 N ATOM 229 CZ ARG A 16 -14.635 -19.987 -21.892 1.00 0.00 C ATOM 230 NH1 ARG A 16 -14.566 -21.016 -22.691 1.00 0.00 N ATOM 231 NH2 ARG A 16 -15.686 -19.815 -21.137 1.00 0.00 N ATOM 0 H ARG A 16 -12.734 -15.610 -26.786 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.851 -15.334 -24.829 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.486 -17.401 -25.498 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.081 -16.675 -24.743 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.310 -16.578 -22.553 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.712 -17.309 -23.309 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.249 -19.318 -23.941 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.941 -18.601 -23.022 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.311 -18.789 -20.948 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.744 -21.150 -23.280 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.334 -21.686 -22.727 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.739 -19.011 -20.512 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.454 -20.485 -21.172 1.00 0.00 H new ATOM 245 N ALA A 17 -11.974 -13.958 -24.042 1.00 0.00 N ATOM 246 CA ALA A 17 -11.356 -13.000 -23.079 1.00 0.00 C ATOM 247 C ALA A 17 -10.068 -12.430 -23.672 1.00 0.00 C ATOM 248 O ALA A 17 -9.026 -12.425 -23.041 1.00 0.00 O ATOM 249 CB ALA A 17 -11.045 -13.830 -21.836 1.00 0.00 C ATOM 0 H ALA A 17 -11.357 -14.271 -24.791 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.011 -12.159 -22.852 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.587 -13.194 -21.079 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.968 -14.255 -21.442 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.358 -14.634 -22.098 1.00 0.00 H new ATOM 255 N SER A 18 -10.132 -11.946 -24.884 1.00 0.00 N ATOM 256 CA SER A 18 -8.915 -11.366 -25.540 1.00 0.00 C ATOM 257 C SER A 18 -8.365 -10.196 -24.706 1.00 0.00 C ATOM 258 O SER A 18 -7.165 -10.011 -24.602 1.00 0.00 O ATOM 259 CB SER A 18 -9.401 -10.841 -26.889 1.00 0.00 C ATOM 260 OG SER A 18 -9.743 -11.927 -27.745 1.00 0.00 O ATOM 0 H SER A 18 -10.978 -11.926 -25.454 1.00 0.00 H new ATOM 0 HA SER A 18 -8.120 -12.105 -25.639 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.267 -10.195 -26.745 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.624 -10.234 -27.353 1.00 0.00 H new ATOM 0 HG SER A 18 -9.698 -11.634 -28.679 1.00 0.00 H new ATOM 266 N LEU A 19 -9.237 -9.389 -24.151 1.00 0.00 N ATOM 267 CA LEU A 19 -8.791 -8.209 -23.358 1.00 0.00 C ATOM 268 C LEU A 19 -8.358 -8.626 -21.968 1.00 0.00 C ATOM 269 O LEU A 19 -8.902 -9.545 -21.374 1.00 0.00 O ATOM 270 CB LEU A 19 -9.994 -7.264 -23.375 1.00 0.00 C ATOM 271 CG LEU A 19 -10.159 -6.807 -24.842 1.00 0.00 C ATOM 272 CD1 LEU A 19 -11.633 -6.726 -25.276 1.00 0.00 C ATOM 273 CD2 LEU A 19 -9.469 -5.446 -25.035 1.00 0.00 C ATOM 0 H LEU A 19 -10.249 -9.502 -24.217 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.911 -7.714 -23.770 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.892 -7.770 -23.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.829 -6.411 -22.717 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.688 -7.558 -25.476 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.689 -6.400 -26.315 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.096 -7.708 -25.178 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.160 -6.012 -24.643 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.585 -5.123 -26.070 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.924 -4.710 -24.372 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.409 -5.539 -24.801 1.00 0.00 H new ATOM 285 N ILE A 20 -7.344 -7.979 -21.477 1.00 0.00 N ATOM 286 CA ILE A 20 -6.800 -8.334 -20.152 1.00 0.00 C ATOM 287 C ILE A 20 -7.562 -7.597 -19.035 1.00 0.00 C ATOM 288 O ILE A 20 -7.453 -6.393 -18.900 1.00 0.00 O ATOM 289 CB ILE A 20 -5.322 -7.929 -20.218 1.00 0.00 C ATOM 290 CG1 ILE A 20 -4.624 -8.413 -18.949 1.00 0.00 C ATOM 291 CG2 ILE A 20 -5.178 -6.409 -20.367 1.00 0.00 C ATOM 292 CD1 ILE A 20 -4.307 -9.899 -19.111 1.00 0.00 C ATOM 0 H ILE A 20 -6.866 -7.210 -21.947 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.908 -9.393 -19.920 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.859 -8.389 -21.091 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.709 -7.846 -18.780 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.263 -8.254 -18.080 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.121 -6.146 -20.412 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.671 -6.085 -21.283 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.639 -5.914 -19.512 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.807 -10.264 -18.214 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.233 -10.454 -19.262 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.654 -10.040 -19.973 1.00 0.00 H new ATOM 304 N PRO A 21 -8.329 -8.340 -18.264 1.00 0.00 N ATOM 305 CA PRO A 21 -9.114 -7.714 -17.173 1.00 0.00 C ATOM 306 C PRO A 21 -8.186 -7.223 -16.061 1.00 0.00 C ATOM 307 O PRO A 21 -8.538 -6.361 -15.281 1.00 0.00 O ATOM 308 CB PRO A 21 -10.018 -8.843 -16.684 1.00 0.00 C ATOM 309 CG PRO A 21 -9.304 -10.099 -17.060 1.00 0.00 C ATOM 310 CD PRO A 21 -8.527 -9.797 -18.310 1.00 0.00 C ATOM 0 HA PRO A 21 -9.680 -6.840 -17.497 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.174 -8.785 -15.607 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.001 -8.792 -17.152 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.638 -10.420 -16.259 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.012 -10.910 -17.231 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.576 -10.329 -18.327 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.075 -10.097 -19.203 1.00 0.00 H new ATOM 318 N ASP A 22 -6.996 -7.776 -15.982 1.00 0.00 N ATOM 319 CA ASP A 22 -6.023 -7.362 -14.920 1.00 0.00 C ATOM 320 C ASP A 22 -6.656 -7.509 -13.532 1.00 0.00 C ATOM 321 O ASP A 22 -6.447 -6.692 -12.657 1.00 0.00 O ATOM 322 CB ASP A 22 -5.685 -5.896 -15.217 1.00 0.00 C ATOM 323 CG ASP A 22 -4.179 -5.671 -15.064 1.00 0.00 C ATOM 324 OD1 ASP A 22 -3.425 -6.559 -15.430 1.00 0.00 O ATOM 325 OD2 ASP A 22 -3.805 -4.615 -14.582 1.00 0.00 O ATOM 0 H ASP A 22 -6.656 -8.502 -16.613 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.127 -7.983 -14.924 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.000 -5.638 -16.228 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.231 -5.242 -14.537 1.00 0.00 H new ATOM 330 N ALA A 23 -7.430 -8.547 -13.332 1.00 0.00 N ATOM 331 CA ALA A 23 -8.084 -8.756 -12.006 1.00 0.00 C ATOM 332 C ALA A 23 -7.205 -9.639 -11.118 1.00 0.00 C ATOM 333 O ALA A 23 -7.437 -10.826 -10.983 1.00 0.00 O ATOM 334 CB ALA A 23 -9.406 -9.458 -12.319 1.00 0.00 C ATOM 0 H ALA A 23 -7.637 -9.259 -14.032 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.239 -7.819 -11.471 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.946 -9.646 -11.391 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.010 -8.824 -12.968 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.205 -10.405 -12.821 1.00 0.00 H new ATOM 340 N THR A 24 -6.197 -9.064 -10.515 1.00 0.00 N ATOM 341 CA THR A 24 -5.295 -9.859 -9.634 1.00 0.00 C ATOM 342 C THR A 24 -5.261 -9.252 -8.229 1.00 0.00 C ATOM 343 O THR A 24 -5.059 -8.064 -8.063 1.00 0.00 O ATOM 344 CB THR A 24 -3.917 -9.767 -10.292 1.00 0.00 C ATOM 345 OG1 THR A 24 -4.001 -10.239 -11.629 1.00 0.00 O ATOM 346 CG2 THR A 24 -2.920 -10.625 -9.510 1.00 0.00 C ATOM 0 H THR A 24 -5.960 -8.075 -10.596 1.00 0.00 H new ATOM 0 HA THR A 24 -5.627 -10.892 -9.526 1.00 0.00 H new ATOM 0 HB THR A 24 -3.581 -8.730 -10.292 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.119 -10.179 -12.053 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.938 -10.560 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.857 -10.265 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.254 -11.663 -9.511 1.00 0.00 H new ATOM 354 N HIS A 25 -5.458 -10.062 -7.221 1.00 0.00 N ATOM 355 CA HIS A 25 -5.438 -9.545 -5.821 1.00 0.00 C ATOM 356 C HIS A 25 -4.131 -9.942 -5.141 1.00 0.00 C ATOM 357 O HIS A 25 -3.829 -11.111 -5.008 1.00 0.00 O ATOM 358 CB HIS A 25 -6.612 -10.228 -5.127 1.00 0.00 C ATOM 359 CG HIS A 25 -7.890 -9.542 -5.510 1.00 0.00 C ATOM 360 ND1 HIS A 25 -8.620 -9.914 -6.631 1.00 0.00 N ATOM 361 CD2 HIS A 25 -8.581 -8.504 -4.938 1.00 0.00 C ATOM 362 CE1 HIS A 25 -9.697 -9.111 -6.696 1.00 0.00 C ATOM 363 NE2 HIS A 25 -9.718 -8.237 -5.688 1.00 0.00 N ATOM 0 H HIS A 25 -5.633 -11.063 -7.308 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.514 -8.458 -5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.653 -11.280 -5.410 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.479 -10.194 -4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.286 -7.976 -4.043 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.451 -9.167 -7.468 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.422 -7.522 -5.507 1.00 0.00 H new ATOM 372 N LEU A 26 -3.353 -8.979 -4.707 1.00 0.00 N ATOM 373 CA LEU A 26 -2.052 -9.294 -4.030 1.00 0.00 C ATOM 374 C LEU A 26 -1.210 -10.248 -4.904 1.00 0.00 C ATOM 375 O LEU A 26 -0.477 -9.807 -5.769 1.00 0.00 O ATOM 376 CB LEU A 26 -2.439 -9.941 -2.694 1.00 0.00 C ATOM 377 CG LEU A 26 -3.015 -8.885 -1.757 1.00 0.00 C ATOM 378 CD1 LEU A 26 -3.615 -9.578 -0.532 1.00 0.00 C ATOM 379 CD2 LEU A 26 -1.898 -7.936 -1.318 1.00 0.00 C ATOM 0 H LEU A 26 -3.563 -7.984 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.438 -8.407 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.171 -10.731 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.565 -10.407 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.790 -8.316 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.029 -8.829 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.406 -10.258 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.838 -10.142 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.306 -7.179 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.124 -8.501 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.468 -7.451 -2.194 1.00 0.00 H new ATOM 391 N GLY A 27 -1.320 -11.545 -4.704 1.00 0.00 N ATOM 392 CA GLY A 27 -0.542 -12.504 -5.538 1.00 0.00 C ATOM 393 C GLY A 27 0.825 -12.778 -4.888 1.00 0.00 C ATOM 394 O GLY A 27 0.884 -13.138 -3.729 1.00 0.00 O ATOM 0 H GLY A 27 -1.917 -11.974 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.096 -13.437 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.403 -12.098 -6.540 1.00 0.00 H new ATOM 398 N PRO A 28 1.890 -12.612 -5.648 1.00 0.00 N ATOM 399 CA PRO A 28 3.247 -12.868 -5.101 1.00 0.00 C ATOM 400 C PRO A 28 3.635 -11.777 -4.102 1.00 0.00 C ATOM 401 O PRO A 28 3.155 -10.661 -4.175 1.00 0.00 O ATOM 402 CB PRO A 28 4.147 -12.825 -6.334 1.00 0.00 C ATOM 403 CG PRO A 28 3.415 -11.966 -7.312 1.00 0.00 C ATOM 404 CD PRO A 28 1.947 -12.171 -7.055 1.00 0.00 C ATOM 0 HA PRO A 28 3.320 -13.812 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.125 -12.407 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.317 -13.824 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.687 -10.918 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.671 -12.241 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.383 -11.251 -7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.525 -12.920 -7.726 1.00 0.00 H new ATOM 412 N GLN A 29 4.503 -12.089 -3.173 1.00 0.00 N ATOM 413 CA GLN A 29 4.927 -11.070 -2.170 1.00 0.00 C ATOM 414 C GLN A 29 6.389 -10.680 -2.411 1.00 0.00 C ATOM 415 O GLN A 29 7.231 -10.806 -1.543 1.00 0.00 O ATOM 416 CB GLN A 29 4.753 -11.745 -0.809 1.00 0.00 C ATOM 417 CG GLN A 29 5.018 -10.729 0.309 1.00 0.00 C ATOM 418 CD GLN A 29 4.709 -11.364 1.667 1.00 0.00 C ATOM 419 OE1 GLN A 29 3.998 -12.347 1.746 1.00 0.00 O ATOM 420 NE2 GLN A 29 5.216 -10.838 2.746 1.00 0.00 N ATOM 0 H GLN A 29 4.936 -13.007 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 29 4.341 -10.153 -2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.744 -12.146 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.440 -12.587 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.057 -10.402 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.401 -9.843 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.813 -10.013 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.016 -11.251 3.657 1.00 0.00 H new ATOM 429 N PHE A 30 6.683 -10.198 -3.587 1.00 0.00 N ATOM 430 CA PHE A 30 8.076 -9.775 -3.911 1.00 0.00 C ATOM 431 C PHE A 30 8.075 -8.294 -4.280 1.00 0.00 C ATOM 432 O PHE A 30 7.253 -7.852 -5.061 1.00 0.00 O ATOM 433 CB PHE A 30 8.484 -10.625 -5.116 1.00 0.00 C ATOM 434 CG PHE A 30 8.833 -12.017 -4.653 1.00 0.00 C ATOM 435 CD1 PHE A 30 7.832 -12.986 -4.526 1.00 0.00 C ATOM 436 CD2 PHE A 30 10.163 -12.338 -4.352 1.00 0.00 C ATOM 437 CE1 PHE A 30 8.159 -14.277 -4.095 1.00 0.00 C ATOM 438 CE2 PHE A 30 10.490 -13.628 -3.922 1.00 0.00 C ATOM 439 CZ PHE A 30 9.488 -14.598 -3.792 1.00 0.00 C ATOM 0 H PHE A 30 6.011 -10.078 -4.345 1.00 0.00 H new ATOM 0 HA PHE A 30 8.763 -9.910 -3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.670 -10.664 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.338 -10.173 -5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.807 -12.738 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.935 -11.590 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.387 -15.025 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.515 -13.876 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.740 -15.594 -3.458 1.00 0.00 H new ATOM 449 N CYS A 31 8.979 -7.522 -3.731 1.00 0.00 N ATOM 450 CA CYS A 31 9.004 -6.071 -4.067 1.00 0.00 C ATOM 451 C CYS A 31 9.603 -5.880 -5.456 1.00 0.00 C ATOM 452 O CYS A 31 10.753 -6.184 -5.692 1.00 0.00 O ATOM 453 CB CYS A 31 9.882 -5.405 -3.002 1.00 0.00 C ATOM 454 SG CYS A 31 9.614 -3.610 -3.028 1.00 0.00 S ATOM 0 H CYS A 31 9.693 -7.832 -3.072 1.00 0.00 H new ATOM 0 HA CYS A 31 8.005 -5.635 -4.077 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.642 -5.804 -2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.932 -5.629 -3.190 1.00 0.00 H new ATOM 459 N LYS A 32 8.825 -5.379 -6.372 1.00 0.00 N ATOM 460 CA LYS A 32 9.337 -5.153 -7.753 1.00 0.00 C ATOM 461 C LYS A 32 9.731 -3.683 -7.943 1.00 0.00 C ATOM 462 O LYS A 32 10.258 -3.310 -8.974 1.00 0.00 O ATOM 463 CB LYS A 32 8.170 -5.517 -8.669 1.00 0.00 C ATOM 464 CG LYS A 32 7.885 -7.017 -8.567 1.00 0.00 C ATOM 465 CD LYS A 32 6.714 -7.377 -9.485 1.00 0.00 C ATOM 466 CE LYS A 32 6.480 -8.889 -9.448 1.00 0.00 C ATOM 467 NZ LYS A 32 6.086 -9.190 -8.042 1.00 0.00 N ATOM 0 H LYS A 32 7.851 -5.114 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 32 10.226 -5.747 -7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.283 -4.948 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.407 -5.251 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.771 -7.586 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.649 -7.284 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.814 -6.851 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.926 -7.056 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.698 -9.183 -10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.381 -9.434 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.505 -10.052 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.940 -9.333 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.538 -8.394 -7.657 1.00 0.00 H new ATOM 481 N SER A 33 9.463 -2.837 -6.968 1.00 0.00 N ATOM 482 CA SER A 33 9.808 -1.392 -7.123 1.00 0.00 C ATOM 483 C SER A 33 11.316 -1.157 -6.966 1.00 0.00 C ATOM 484 O SER A 33 11.976 -0.744 -7.900 1.00 0.00 O ATOM 485 CB SER A 33 9.045 -0.680 -6.000 1.00 0.00 C ATOM 486 OG SER A 33 7.760 -1.274 -5.846 1.00 0.00 O ATOM 0 H SER A 33 9.024 -3.088 -6.082 1.00 0.00 H new ATOM 0 HA SER A 33 9.540 -1.023 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.603 -0.749 -5.066 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.942 0.380 -6.232 1.00 0.00 H new ATOM 0 HG SER A 33 7.125 -0.600 -5.525 1.00 0.00 H new ATOM 492 N CYS A 34 11.872 -1.415 -5.800 1.00 0.00 N ATOM 493 CA CYS A 34 13.341 -1.190 -5.619 1.00 0.00 C ATOM 494 C CYS A 34 14.175 -2.354 -6.176 1.00 0.00 C ATOM 495 O CYS A 34 15.178 -2.139 -6.825 1.00 0.00 O ATOM 496 CB CYS A 34 13.583 -0.978 -4.113 1.00 0.00 C ATOM 497 SG CYS A 34 13.149 -2.452 -3.157 1.00 0.00 S ATOM 0 H CYS A 34 11.378 -1.766 -4.980 1.00 0.00 H new ATOM 0 HA CYS A 34 13.661 -0.313 -6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 34 14.630 -0.729 -3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.993 -0.130 -3.764 1.00 0.00 H new ATOM 502 N TRP A 35 13.785 -3.586 -5.915 1.00 0.00 N ATOM 503 CA TRP A 35 14.576 -4.774 -6.413 1.00 0.00 C ATOM 504 C TRP A 35 14.025 -6.057 -5.784 1.00 0.00 C ATOM 505 O TRP A 35 13.089 -6.020 -5.012 1.00 0.00 O ATOM 506 CB TRP A 35 16.045 -4.577 -5.967 1.00 0.00 C ATOM 507 CG TRP A 35 16.104 -4.027 -4.571 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.529 -4.597 -3.486 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.748 -2.808 -4.099 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.784 -3.807 -2.379 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.535 -2.696 -2.705 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.494 -1.802 -4.739 1.00 0.00 C ATOM 513 CZ2 TRP A 35 17.040 -1.621 -1.971 1.00 0.00 C ATOM 514 CZ3 TRP A 35 18.005 -0.719 -4.004 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.779 -0.630 -2.623 1.00 0.00 C ATOM 0 H TRP A 35 12.951 -3.823 -5.377 1.00 0.00 H new ATOM 0 HA TRP A 35 14.506 -4.854 -7.498 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.575 -5.528 -6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.551 -3.898 -6.653 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.964 -5.517 -3.485 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.457 -4.020 -1.437 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.675 -1.862 -5.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.861 -1.556 -0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.575 0.049 -4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.176 0.204 -2.063 1.00 0.00 H new ATOM 526 N PHE A 36 14.610 -7.187 -6.097 1.00 0.00 N ATOM 527 CA PHE A 36 14.121 -8.473 -5.509 1.00 0.00 C ATOM 528 C PHE A 36 14.919 -8.821 -4.246 1.00 0.00 C ATOM 529 O PHE A 36 16.087 -9.155 -4.314 1.00 0.00 O ATOM 530 CB PHE A 36 14.372 -9.535 -6.585 1.00 0.00 C ATOM 531 CG PHE A 36 13.665 -9.166 -7.868 1.00 0.00 C ATOM 532 CD1 PHE A 36 12.312 -9.481 -8.039 1.00 0.00 C ATOM 533 CD2 PHE A 36 14.368 -8.517 -8.890 1.00 0.00 C ATOM 534 CE1 PHE A 36 11.663 -9.149 -9.233 1.00 0.00 C ATOM 535 CE2 PHE A 36 13.718 -8.182 -10.083 1.00 0.00 C ATOM 536 CZ PHE A 36 12.365 -8.499 -10.255 1.00 0.00 C ATOM 0 H PHE A 36 15.403 -7.275 -6.733 1.00 0.00 H new ATOM 0 HA PHE A 36 13.070 -8.410 -5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.442 -9.631 -6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.020 -10.506 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.769 -9.980 -7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.412 -8.275 -8.758 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.620 -9.394 -9.366 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.260 -7.679 -10.871 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.863 -8.242 -11.176 1.00 0.00 H new ATOM 546 N GLU A 37 14.291 -8.758 -3.101 1.00 0.00 N ATOM 547 CA GLU A 37 15.000 -9.098 -1.825 1.00 0.00 C ATOM 548 C GLU A 37 14.035 -9.725 -0.808 1.00 0.00 C ATOM 549 O GLU A 37 14.404 -10.612 -0.064 1.00 0.00 O ATOM 550 CB GLU A 37 15.555 -7.776 -1.286 1.00 0.00 C ATOM 551 CG GLU A 37 16.709 -7.297 -2.174 1.00 0.00 C ATOM 552 CD GLU A 37 17.345 -6.026 -1.590 1.00 0.00 C ATOM 553 OE1 GLU A 37 16.947 -5.614 -0.511 1.00 0.00 O ATOM 554 OE2 GLU A 37 18.227 -5.484 -2.237 1.00 0.00 O ATOM 0 H GLU A 37 13.314 -8.485 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 37 15.791 -9.828 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.767 -7.023 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.903 -7.908 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.461 -8.082 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.342 -7.098 -3.181 1.00 0.00 H new ATOM 561 N ASN A 38 12.805 -9.260 -0.758 1.00 0.00 N ATOM 562 CA ASN A 38 11.810 -9.814 0.221 1.00 0.00 C ATOM 563 C ASN A 38 12.363 -9.743 1.652 1.00 0.00 C ATOM 564 O ASN A 38 11.980 -10.512 2.513 1.00 0.00 O ATOM 565 CB ASN A 38 11.581 -11.272 -0.199 1.00 0.00 C ATOM 566 CG ASN A 38 10.626 -11.318 -1.393 1.00 0.00 C ATOM 567 OD1 ASN A 38 10.769 -10.558 -2.330 1.00 0.00 O ATOM 568 ND2 ASN A 38 9.649 -12.183 -1.394 1.00 0.00 N ATOM 0 H ASN A 38 12.446 -8.516 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 38 10.881 -9.245 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.530 -11.739 -0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.166 -11.840 0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.003 -12.222 -2.183 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.531 -12.820 -0.606 1.00 0.00 H new ATOM 575 N LYS A 39 13.257 -8.821 1.903 1.00 0.00 N ATOM 576 CA LYS A 39 13.840 -8.678 3.274 1.00 0.00 C ATOM 577 C LYS A 39 12.807 -8.117 4.257 1.00 0.00 C ATOM 578 O LYS A 39 12.696 -8.572 5.379 1.00 0.00 O ATOM 579 CB LYS A 39 15.018 -7.716 3.102 1.00 0.00 C ATOM 580 CG LYS A 39 16.129 -8.409 2.307 1.00 0.00 C ATOM 581 CD LYS A 39 16.776 -9.499 3.167 1.00 0.00 C ATOM 582 CE LYS A 39 17.899 -10.177 2.379 1.00 0.00 C ATOM 583 NZ LYS A 39 18.465 -11.190 3.314 1.00 0.00 N ATOM 0 H LYS A 39 13.611 -8.157 1.214 1.00 0.00 H new ATOM 0 HA LYS A 39 14.154 -9.637 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.693 -6.814 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.393 -7.405 4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.719 -8.846 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.880 -7.680 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.173 -9.064 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.028 -10.236 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.518 -10.646 1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.657 -9.456 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.242 -11.698 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.826 -10.714 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.722 -11.866 3.584 1.00 0.00 H new ATOM 597 N GLY A 40 12.054 -7.130 3.843 1.00 0.00 N ATOM 598 CA GLY A 40 11.027 -6.529 4.747 1.00 0.00 C ATOM 599 C GLY A 40 9.891 -5.959 3.901 1.00 0.00 C ATOM 600 O GLY A 40 9.541 -4.799 4.014 1.00 0.00 O ATOM 0 H GLY A 40 12.107 -6.713 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.643 -7.283 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.475 -5.743 5.355 1.00 0.00 H new ATOM 604 N LEU A 41 9.321 -6.768 3.048 1.00 0.00 N ATOM 605 CA LEU A 41 8.212 -6.284 2.175 1.00 0.00 C ATOM 606 C LEU A 41 6.889 -6.216 2.941 1.00 0.00 C ATOM 607 O LEU A 41 6.503 -7.139 3.631 1.00 0.00 O ATOM 608 CB LEU A 41 8.125 -7.301 1.039 1.00 0.00 C ATOM 609 CG LEU A 41 7.041 -6.866 0.051 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.438 -7.291 -1.359 1.00 0.00 C ATOM 611 CD2 LEU A 41 5.715 -7.526 0.439 1.00 0.00 C ATOM 0 H LEU A 41 9.577 -7.747 2.918 1.00 0.00 H new ATOM 0 HA LEU A 41 8.402 -5.275 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.086 -7.378 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.895 -8.289 1.437 1.00 0.00 H new ATOM 0 HG LEU A 41 6.929 -5.782 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.666 -6.981 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.384 -6.821 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.548 -8.375 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.938 -7.220 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.825 -8.610 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.437 -7.218 1.447 1.00 0.00 H new ATOM 623 N VAL A 42 6.185 -5.128 2.784 1.00 0.00 N ATOM 624 CA VAL A 42 4.863 -4.967 3.451 1.00 0.00 C ATOM 625 C VAL A 42 3.792 -4.907 2.364 1.00 0.00 C ATOM 626 O VAL A 42 3.979 -4.277 1.339 1.00 0.00 O ATOM 627 CB VAL A 42 4.932 -3.653 4.243 1.00 0.00 C ATOM 628 CG1 VAL A 42 5.959 -3.792 5.365 1.00 0.00 C ATOM 629 CG2 VAL A 42 5.344 -2.489 3.330 1.00 0.00 C ATOM 0 H VAL A 42 6.475 -4.333 2.214 1.00 0.00 H new ATOM 0 HA VAL A 42 4.621 -5.790 4.124 1.00 0.00 H new ATOM 0 HB VAL A 42 3.945 -3.445 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.010 -2.861 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.663 -4.603 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.937 -4.011 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.387 -1.568 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.325 -2.693 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.613 -2.379 2.529 1.00 0.00 H new ATOM 639 N GLU A 43 2.698 -5.593 2.547 1.00 0.00 N ATOM 640 CA GLU A 43 1.650 -5.603 1.486 1.00 0.00 C ATOM 641 C GLU A 43 0.803 -4.333 1.467 1.00 0.00 C ATOM 642 O GLU A 43 -0.049 -4.122 2.310 1.00 0.00 O ATOM 643 CB GLU A 43 0.765 -6.811 1.792 1.00 0.00 C ATOM 644 CG GLU A 43 1.455 -8.086 1.304 1.00 0.00 C ATOM 645 CD GLU A 43 0.641 -9.327 1.702 1.00 0.00 C ATOM 646 OE1 GLU A 43 -0.458 -9.167 2.214 1.00 0.00 O ATOM 647 OE2 GLU A 43 1.134 -10.423 1.487 1.00 0.00 O ATOM 0 H GLU A 43 2.484 -6.144 3.379 1.00 0.00 H new ATOM 0 HA GLU A 43 2.121 -5.656 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.576 -6.875 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.203 -6.699 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.570 -8.052 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.457 -8.150 1.729 1.00 0.00 H new ATOM 654 N CYS A 44 0.967 -3.542 0.439 1.00 0.00 N ATOM 655 CA CYS A 44 0.104 -2.338 0.256 1.00 0.00 C ATOM 656 C CYS A 44 -1.261 -2.903 -0.144 1.00 0.00 C ATOM 657 O CYS A 44 -1.379 -4.107 -0.306 1.00 0.00 O ATOM 658 CB CYS A 44 0.733 -1.553 -0.903 1.00 0.00 C ATOM 659 SG CYS A 44 0.376 0.218 -0.763 1.00 0.00 S ATOM 0 H CYS A 44 1.669 -3.680 -0.288 1.00 0.00 H new ATOM 0 HA CYS A 44 0.010 -1.690 1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.812 -1.710 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.350 -1.930 -1.851 1.00 0.00 H new ATOM 664 N ASN A 45 -2.298 -2.110 -0.287 1.00 0.00 N ATOM 665 CA ASN A 45 -3.624 -2.718 -0.665 1.00 0.00 C ATOM 666 C ASN A 45 -3.463 -3.632 -1.905 1.00 0.00 C ATOM 667 O ASN A 45 -3.506 -4.843 -1.797 1.00 0.00 O ATOM 668 CB ASN A 45 -4.530 -1.522 -0.986 1.00 0.00 C ATOM 669 CG ASN A 45 -5.910 -2.022 -1.431 1.00 0.00 C ATOM 670 OD1 ASN A 45 -6.023 -2.727 -2.414 1.00 0.00 O ATOM 671 ND2 ASN A 45 -6.966 -1.688 -0.744 1.00 0.00 N ATOM 0 H ASN A 45 -2.292 -1.098 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.036 -3.339 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.630 -0.883 -0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.082 -0.915 -1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.887 -2.019 -1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.871 -1.096 0.081 1.00 0.00 H new ATOM 678 N ASN A 46 -3.236 -3.060 -3.057 1.00 0.00 N ATOM 679 CA ASN A 46 -3.021 -3.880 -4.296 1.00 0.00 C ATOM 680 C ASN A 46 -1.559 -3.782 -4.777 1.00 0.00 C ATOM 681 O ASN A 46 -1.294 -3.862 -5.962 1.00 0.00 O ATOM 682 CB ASN A 46 -3.992 -3.309 -5.331 1.00 0.00 C ATOM 683 CG ASN A 46 -3.678 -1.835 -5.587 1.00 0.00 C ATOM 684 OD1 ASN A 46 -4.180 -0.930 -4.794 1.00 0.00 O flip ATOM 685 ND2 ASN A 46 -2.964 -1.504 -6.511 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.189 -2.051 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.204 -4.940 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.917 -3.872 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.017 -3.414 -4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.571 -2.212 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.757 -0.518 -6.667 1.00 0.00 H new ATOM 692 N HIS A 47 -0.621 -3.550 -3.890 1.00 0.00 N ATOM 693 CA HIS A 47 0.808 -3.383 -4.326 1.00 0.00 C ATOM 694 C HIS A 47 1.772 -3.852 -3.210 1.00 0.00 C ATOM 695 O HIS A 47 1.414 -3.885 -2.055 1.00 0.00 O ATOM 696 CB HIS A 47 0.879 -1.857 -4.630 1.00 0.00 C ATOM 697 CG HIS A 47 2.202 -1.228 -4.262 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.281 -0.047 -3.523 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.499 -1.609 -4.494 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.584 0.225 -3.333 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.361 -0.696 -3.905 1.00 0.00 N ATOM 0 H HIS A 47 -0.779 -3.469 -2.886 1.00 0.00 H new ATOM 0 HA HIS A 47 1.106 -3.980 -5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.693 -1.698 -5.692 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.081 -1.349 -4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.802 -2.484 -5.049 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.954 1.080 -2.787 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.381 -0.723 -3.909 1.00 0.00 H new ATOM 709 N TYR A 48 2.985 -4.234 -3.555 1.00 0.00 N ATOM 710 CA TYR A 48 3.954 -4.709 -2.504 1.00 0.00 C ATOM 711 C TYR A 48 5.193 -3.804 -2.453 1.00 0.00 C ATOM 712 O TYR A 48 5.931 -3.689 -3.413 1.00 0.00 O ATOM 713 CB TYR A 48 4.406 -6.155 -2.860 1.00 0.00 C ATOM 714 CG TYR A 48 3.559 -6.772 -3.948 1.00 0.00 C ATOM 715 CD1 TYR A 48 2.348 -7.386 -3.627 1.00 0.00 C ATOM 716 CD2 TYR A 48 3.993 -6.717 -5.275 1.00 0.00 C ATOM 717 CE1 TYR A 48 1.561 -7.946 -4.640 1.00 0.00 C ATOM 718 CE2 TYR A 48 3.210 -7.278 -6.289 1.00 0.00 C ATOM 719 CZ TYR A 48 1.994 -7.893 -5.972 1.00 0.00 C ATOM 720 OH TYR A 48 1.218 -8.441 -6.972 1.00 0.00 O ATOM 0 H TYR A 48 3.344 -4.238 -4.510 1.00 0.00 H new ATOM 0 HA TYR A 48 3.460 -4.683 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.448 -6.139 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.356 -6.778 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.019 -7.429 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.932 -6.242 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.621 -8.418 -4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.544 -7.237 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 48 0.310 -8.593 -6.636 1.00 0.00 H new ATOM 730 N LEU A 49 5.442 -3.203 -1.322 1.00 0.00 N ATOM 731 CA LEU A 49 6.653 -2.345 -1.158 1.00 0.00 C ATOM 732 C LEU A 49 7.324 -2.741 0.156 1.00 0.00 C ATOM 733 O LEU A 49 6.665 -3.234 1.052 1.00 0.00 O ATOM 734 CB LEU A 49 6.160 -0.895 -1.094 1.00 0.00 C ATOM 735 CG LEU A 49 7.343 0.054 -1.327 1.00 0.00 C ATOM 736 CD1 LEU A 49 7.807 -0.041 -2.784 1.00 0.00 C ATOM 737 CD2 LEU A 49 6.922 1.495 -1.033 1.00 0.00 C ATOM 0 H LEU A 49 4.851 -3.270 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 49 7.367 -2.460 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.390 -0.727 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.705 -0.696 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 49 8.158 -0.233 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.647 0.635 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.118 -1.063 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.987 0.237 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.767 2.162 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.101 1.776 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.597 1.575 0.004 1.00 0.00 H new ATOM 749 N CYS A 50 8.614 -2.556 0.288 1.00 0.00 N ATOM 750 CA CYS A 50 9.282 -2.951 1.563 1.00 0.00 C ATOM 751 C CYS A 50 9.797 -1.720 2.307 1.00 0.00 C ATOM 752 O CYS A 50 9.930 -0.651 1.749 1.00 0.00 O ATOM 753 CB CYS A 50 10.411 -3.913 1.167 1.00 0.00 C ATOM 754 SG CYS A 50 11.648 -3.071 0.151 1.00 0.00 S ATOM 0 H CYS A 50 9.226 -2.154 -0.422 1.00 0.00 H new ATOM 0 HA CYS A 50 8.593 -3.440 2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.883 -4.315 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 50 9.998 -4.759 0.618 1.00 0.00 H new ATOM 759 N LEU A 51 10.061 -1.873 3.576 1.00 0.00 N ATOM 760 CA LEU A 51 10.530 -0.724 4.405 1.00 0.00 C ATOM 761 C LEU A 51 11.817 -0.129 3.842 1.00 0.00 C ATOM 762 O LEU A 51 12.089 1.045 4.014 1.00 0.00 O ATOM 763 CB LEU A 51 10.783 -1.305 5.800 1.00 0.00 C ATOM 764 CG LEU A 51 10.772 -0.179 6.837 1.00 0.00 C ATOM 765 CD1 LEU A 51 9.339 0.322 7.042 1.00 0.00 C ATOM 766 CD2 LEU A 51 11.318 -0.707 8.165 1.00 0.00 C ATOM 0 H LEU A 51 9.971 -2.755 4.080 1.00 0.00 H new ATOM 0 HA LEU A 51 9.794 0.080 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.018 -2.043 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.742 -1.822 5.821 1.00 0.00 H new ATOM 0 HG LEU A 51 11.395 0.643 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.336 1.123 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.946 0.698 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.714 -0.498 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.311 0.093 8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.693 -1.529 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.339 -1.062 8.023 1.00 0.00 H new ATOM 778 N ASN A 52 12.620 -0.927 3.187 1.00 0.00 N ATOM 779 CA ASN A 52 13.902 -0.395 2.635 1.00 0.00 C ATOM 780 C ASN A 52 13.631 0.751 1.648 1.00 0.00 C ATOM 781 O ASN A 52 14.216 1.814 1.758 1.00 0.00 O ATOM 782 CB ASN A 52 14.542 -1.579 1.904 1.00 0.00 C ATOM 783 CG ASN A 52 15.128 -2.568 2.915 1.00 0.00 C ATOM 784 OD1 ASN A 52 15.368 -2.223 4.054 1.00 0.00 O ATOM 785 ND2 ASN A 52 15.366 -3.797 2.540 1.00 0.00 N ATOM 0 H ASN A 52 12.446 -1.917 3.011 1.00 0.00 H new ATOM 0 HA ASN A 52 14.546 0.005 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.798 -2.079 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.326 -1.223 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.754 -4.467 3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.164 -4.086 1.583 1.00 0.00 H new ATOM 792 N CYS A 53 12.736 0.560 0.704 1.00 0.00 N ATOM 793 CA CYS A 53 12.422 1.662 -0.261 1.00 0.00 C ATOM 794 C CYS A 53 11.225 2.473 0.237 1.00 0.00 C ATOM 795 O CYS A 53 11.107 3.656 -0.025 1.00 0.00 O ATOM 796 CB CYS A 53 12.153 0.993 -1.617 1.00 0.00 C ATOM 797 SG CYS A 53 10.712 -0.101 -1.533 1.00 0.00 S ATOM 0 H CYS A 53 12.214 -0.305 0.562 1.00 0.00 H new ATOM 0 HA CYS A 53 13.247 2.368 -0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.989 1.757 -2.376 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.029 0.422 -1.924 1.00 0.00 H new ATOM 802 N LEU A 54 10.338 1.837 0.959 1.00 0.00 N ATOM 803 CA LEU A 54 9.136 2.552 1.488 1.00 0.00 C ATOM 804 C LEU A 54 9.574 3.684 2.421 1.00 0.00 C ATOM 805 O LEU A 54 9.057 4.777 2.356 1.00 0.00 O ATOM 806 CB LEU A 54 8.351 1.478 2.259 1.00 0.00 C ATOM 807 CG LEU A 54 7.164 2.100 2.994 1.00 0.00 C ATOM 808 CD1 LEU A 54 6.083 1.042 3.196 1.00 0.00 C ATOM 809 CD2 LEU A 54 7.620 2.617 4.364 1.00 0.00 C ATOM 0 H LEU A 54 10.394 0.849 1.206 1.00 0.00 H new ATOM 0 HA LEU A 54 8.534 3.006 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.997 0.713 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.008 0.983 2.973 1.00 0.00 H new ATOM 0 HG LEU A 54 6.768 2.927 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.235 1.483 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.755 0.667 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.486 0.219 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.772 3.060 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.016 1.789 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.397 3.370 4.229 1.00 0.00 H new ATOM 821 N THR A 55 10.510 3.422 3.293 1.00 0.00 N ATOM 822 CA THR A 55 10.978 4.485 4.232 1.00 0.00 C ATOM 823 C THR A 55 11.667 5.620 3.462 1.00 0.00 C ATOM 824 O THR A 55 11.440 6.784 3.731 1.00 0.00 O ATOM 825 CB THR A 55 11.957 3.781 5.179 1.00 0.00 C ATOM 826 OG1 THR A 55 11.263 2.784 5.914 1.00 0.00 O ATOM 827 CG2 THR A 55 12.580 4.792 6.147 1.00 0.00 C ATOM 0 H THR A 55 10.971 2.518 3.397 1.00 0.00 H new ATOM 0 HA THR A 55 10.154 4.944 4.778 1.00 0.00 H new ATOM 0 HB THR A 55 12.752 3.321 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.646 2.715 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.273 4.278 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.117 5.553 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.794 5.265 6.736 1.00 0.00 H new ATOM 835 N LEU A 56 12.513 5.289 2.516 1.00 0.00 N ATOM 836 CA LEU A 56 13.230 6.354 1.745 1.00 0.00 C ATOM 837 C LEU A 56 12.236 7.229 0.975 1.00 0.00 C ATOM 838 O LEU A 56 12.365 8.439 0.948 1.00 0.00 O ATOM 839 CB LEU A 56 14.149 5.609 0.772 1.00 0.00 C ATOM 840 CG LEU A 56 15.286 4.934 1.544 1.00 0.00 C ATOM 841 CD1 LEU A 56 16.028 3.967 0.620 1.00 0.00 C ATOM 842 CD2 LEU A 56 16.266 5.998 2.053 1.00 0.00 C ATOM 0 H LEU A 56 12.737 4.332 2.245 1.00 0.00 H new ATOM 0 HA LEU A 56 13.789 7.017 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.579 4.862 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.558 6.305 0.039 1.00 0.00 H new ATOM 0 HG LEU A 56 14.870 4.387 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.837 3.487 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.336 3.208 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.441 4.517 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 56 17.074 5.515 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.679 6.547 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.742 6.690 2.713 1.00 0.00 H new ATOM 854 N LEU A 57 11.248 6.636 0.355 1.00 0.00 N ATOM 855 CA LEU A 57 10.247 7.447 -0.409 1.00 0.00 C ATOM 856 C LEU A 57 8.914 7.509 0.337 1.00 0.00 C ATOM 857 O LEU A 57 7.904 7.814 -0.253 1.00 0.00 O ATOM 858 CB LEU A 57 10.044 6.710 -1.735 1.00 0.00 C ATOM 859 CG LEU A 57 9.593 7.704 -2.815 1.00 0.00 C ATOM 860 CD1 LEU A 57 10.198 7.302 -4.158 1.00 0.00 C ATOM 861 CD2 LEU A 57 8.062 7.700 -2.940 1.00 0.00 C ATOM 0 H LEU A 57 11.090 5.628 0.343 1.00 0.00 H new ATOM 0 HA LEU A 57 10.597 8.470 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.972 6.225 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.298 5.925 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 57 9.928 8.702 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.879 8.006 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.285 7.313 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.862 6.300 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.758 8.410 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.722 6.701 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.618 7.987 -1.986 1.00 0.00 H new ATOM 873 N LEU A 58 8.887 7.186 1.613 1.00 0.00 N ATOM 874 CA LEU A 58 7.588 7.178 2.376 1.00 0.00 C ATOM 875 C LEU A 58 6.632 6.172 1.725 1.00 0.00 C ATOM 876 O LEU A 58 6.636 5.997 0.522 1.00 0.00 O ATOM 877 CB LEU A 58 7.006 8.600 2.298 1.00 0.00 C ATOM 878 CG LEU A 58 7.557 9.440 3.448 1.00 0.00 C ATOM 879 CD1 LEU A 58 7.578 10.919 3.038 1.00 0.00 C ATOM 880 CD2 LEU A 58 6.667 9.260 4.682 1.00 0.00 C ATOM 0 H LEU A 58 9.708 6.927 2.160 1.00 0.00 H new ATOM 0 HA LEU A 58 7.736 6.888 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.264 9.058 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.918 8.562 2.350 1.00 0.00 H new ATOM 0 HG LEU A 58 8.571 9.117 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.971 11.519 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.213 11.044 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.565 11.246 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.059 9.859 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.652 9.583 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.655 8.209 4.972 1.00 0.00 H new ATOM 892 N SER A 59 5.804 5.507 2.491 1.00 0.00 N ATOM 893 CA SER A 59 4.855 4.541 1.852 1.00 0.00 C ATOM 894 C SER A 59 3.843 5.365 1.056 1.00 0.00 C ATOM 895 O SER A 59 3.795 5.319 -0.158 1.00 0.00 O ATOM 896 CB SER A 59 4.174 3.776 2.992 1.00 0.00 C ATOM 897 OG SER A 59 5.085 3.610 4.071 1.00 0.00 O ATOM 0 H SER A 59 5.742 5.586 3.506 1.00 0.00 H new ATOM 0 HA SER A 59 5.343 3.834 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.291 4.318 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.834 2.803 2.637 1.00 0.00 H new ATOM 0 HG SER A 59 4.640 3.136 4.805 1.00 0.00 H new ATOM 903 N VAL A 60 3.083 6.168 1.746 1.00 0.00 N ATOM 904 CA VAL A 60 2.104 7.068 1.078 1.00 0.00 C ATOM 905 C VAL A 60 1.993 8.356 1.889 1.00 0.00 C ATOM 906 O VAL A 60 0.928 8.705 2.365 1.00 0.00 O ATOM 907 CB VAL A 60 0.764 6.328 1.053 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.889 5.057 0.214 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.335 5.963 2.477 1.00 0.00 C ATOM 0 H VAL A 60 3.100 6.239 2.763 1.00 0.00 H new ATOM 0 HA VAL A 60 2.409 7.325 0.064 1.00 0.00 H new ATOM 0 HB VAL A 60 0.011 6.981 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.068 4.535 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.174 5.320 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.650 4.408 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.619 5.437 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.089 5.320 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.229 6.872 3.069 1.00 0.00 H new ATOM 919 N SER A 61 3.087 9.072 2.061 1.00 0.00 N ATOM 920 CA SER A 61 3.030 10.346 2.854 1.00 0.00 C ATOM 921 C SER A 61 1.923 11.236 2.294 1.00 0.00 C ATOM 922 O SER A 61 1.212 11.906 3.019 1.00 0.00 O ATOM 923 CB SER A 61 4.399 11.002 2.678 1.00 0.00 C ATOM 924 OG SER A 61 4.568 11.388 1.320 1.00 0.00 O ATOM 0 H SER A 61 4.006 8.831 1.690 1.00 0.00 H new ATOM 0 HA SER A 61 2.812 10.175 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.483 11.873 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.187 10.308 2.971 1.00 0.00 H new ATOM 0 HG SER A 61 5.267 12.072 1.259 1.00 0.00 H new ATOM 930 N ASN A 62 1.753 11.191 1.006 1.00 0.00 N ATOM 931 CA ASN A 62 0.669 11.965 0.358 1.00 0.00 C ATOM 932 C ASN A 62 -0.148 11.020 -0.520 1.00 0.00 C ATOM 933 O ASN A 62 -1.351 10.924 -0.394 1.00 0.00 O ATOM 934 CB ASN A 62 1.372 13.026 -0.493 1.00 0.00 C ATOM 935 CG ASN A 62 0.327 13.942 -1.136 1.00 0.00 C ATOM 936 OD1 ASN A 62 -0.819 13.564 -1.291 1.00 0.00 O ATOM 937 ND2 ASN A 62 0.674 15.140 -1.520 1.00 0.00 N ATOM 0 H ASN A 62 2.329 10.642 0.367 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.009 12.429 1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.052 13.611 0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.975 12.547 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.015 15.758 -1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.634 15.459 -1.391 1.00 0.00 H new ATOM 944 N ARG A 63 0.516 10.321 -1.407 1.00 0.00 N ATOM 945 CA ARG A 63 -0.192 9.373 -2.326 1.00 0.00 C ATOM 946 C ARG A 63 0.721 8.211 -2.736 1.00 0.00 C ATOM 947 O ARG A 63 1.927 8.356 -2.808 1.00 0.00 O ATOM 948 CB ARG A 63 -0.508 10.219 -3.562 1.00 0.00 C ATOM 949 CG ARG A 63 -1.865 10.902 -3.407 1.00 0.00 C ATOM 950 CD ARG A 63 -1.958 12.060 -4.398 1.00 0.00 C ATOM 951 NE ARG A 63 -1.869 11.444 -5.759 1.00 0.00 N ATOM 952 CZ ARG A 63 -1.772 12.191 -6.843 1.00 0.00 C ATOM 953 NH1 ARG A 63 -1.646 13.497 -6.771 1.00 0.00 N ATOM 954 NH2 ARG A 63 -1.797 11.620 -8.017 1.00 0.00 N ATOM 0 H ARG A 63 1.527 10.366 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.072 8.936 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.270 10.969 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.511 9.589 -4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.668 10.188 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.987 11.269 -2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.895 12.604 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.151 12.775 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.884 10.428 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.621 13.958 -5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.573 14.050 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.891 10.607 -8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.723 12.187 -8.862 1.00 0.00 H new ATOM 968 N CYS A 64 0.149 7.078 -3.061 1.00 0.00 N ATOM 969 CA CYS A 64 0.974 5.928 -3.532 1.00 0.00 C ATOM 970 C CYS A 64 0.990 5.996 -5.074 1.00 0.00 C ATOM 971 O CYS A 64 -0.046 5.870 -5.696 1.00 0.00 O ATOM 972 CB CYS A 64 0.257 4.677 -3.013 1.00 0.00 C ATOM 973 SG CYS A 64 1.443 3.310 -2.870 1.00 0.00 S ATOM 0 H CYS A 64 -0.855 6.902 -3.020 1.00 0.00 H new ATOM 0 HA CYS A 64 2.006 5.929 -3.180 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.196 4.881 -2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.551 4.401 -3.691 1.00 0.00 H new ATOM 978 N PRO A 65 2.146 6.272 -5.648 1.00 0.00 N ATOM 979 CA PRO A 65 2.234 6.448 -7.128 1.00 0.00 C ATOM 980 C PRO A 65 1.982 5.151 -7.904 1.00 0.00 C ATOM 981 O PRO A 65 1.442 5.181 -8.995 1.00 0.00 O ATOM 982 CB PRO A 65 3.670 6.932 -7.341 1.00 0.00 C ATOM 983 CG PRO A 65 4.425 6.427 -6.157 1.00 0.00 C ATOM 984 CD PRO A 65 3.463 6.428 -5.003 1.00 0.00 C ATOM 0 HA PRO A 65 1.474 7.137 -7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.085 6.541 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.715 8.019 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.808 5.423 -6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.285 7.063 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.669 5.613 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.523 7.355 -4.432 1.00 0.00 H new ATOM 992 N ILE A 66 2.376 4.024 -7.373 1.00 0.00 N ATOM 993 CA ILE A 66 2.163 2.740 -8.112 1.00 0.00 C ATOM 994 C ILE A 66 0.726 2.233 -7.964 1.00 0.00 C ATOM 995 O ILE A 66 0.170 1.668 -8.888 1.00 0.00 O ATOM 996 CB ILE A 66 3.180 1.756 -7.536 1.00 0.00 C ATOM 997 CG1 ILE A 66 3.138 0.463 -8.348 1.00 0.00 C ATOM 998 CG2 ILE A 66 2.872 1.446 -6.072 1.00 0.00 C ATOM 999 CD1 ILE A 66 4.338 -0.409 -7.982 1.00 0.00 C ATOM 0 H ILE A 66 2.833 3.934 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 66 2.308 2.870 -9.184 1.00 0.00 H new ATOM 0 HB ILE A 66 4.172 2.205 -7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.211 -0.074 -8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.152 0.690 -9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.610 0.743 -5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.908 2.367 -5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.878 1.006 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.308 -1.332 -8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.260 0.129 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.304 -0.647 -6.919 1.00 0.00 H new ATOM 1011 N CYS A 67 0.115 2.437 -6.825 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.295 1.973 -6.647 1.00 0.00 C ATOM 1013 C CYS A 67 -2.212 2.714 -7.626 1.00 0.00 C ATOM 1014 O CYS A 67 -3.322 2.292 -7.886 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.666 2.311 -5.209 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.159 0.956 -4.120 1.00 0.00 S ATOM 0 H CYS A 67 0.527 2.901 -6.016 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.401 0.906 -6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.179 3.238 -4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.741 2.474 -5.128 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.753 3.821 -8.177 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.590 4.597 -9.147 1.00 0.00 C ATOM 1023 C LYS A 68 -3.894 5.046 -8.490 1.00 0.00 C ATOM 1024 O LYS A 68 -4.875 5.300 -9.165 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.879 3.633 -10.306 1.00 0.00 C ATOM 1026 CG LYS A 68 -2.698 4.350 -11.644 1.00 0.00 C ATOM 1027 CD LYS A 68 -2.819 3.330 -12.777 1.00 0.00 C ATOM 1028 CE LYS A 68 -4.245 2.773 -12.815 1.00 0.00 C ATOM 1029 NZ LYS A 68 -4.262 1.841 -13.975 1.00 0.00 N ATOM 0 H LYS A 68 -0.831 4.218 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.079 5.498 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.209 2.775 -10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.896 3.249 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.451 5.130 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.725 4.839 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.575 3.799 -13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.105 2.520 -12.629 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.491 2.255 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.977 3.571 -12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.208 1.418 -14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.030 2.364 -14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.560 1.089 -13.826 1.00 0.00 H new ATOM 1043 N MET A 69 -3.915 5.158 -7.186 1.00 0.00 N ATOM 1044 CA MET A 69 -5.164 5.605 -6.505 1.00 0.00 C ATOM 1045 C MET A 69 -4.835 6.584 -5.360 1.00 0.00 C ATOM 1046 O MET A 69 -4.142 6.222 -4.429 1.00 0.00 O ATOM 1047 CB MET A 69 -5.813 4.330 -5.967 1.00 0.00 C ATOM 1048 CG MET A 69 -7.331 4.453 -6.110 1.00 0.00 C ATOM 1049 SD MET A 69 -8.009 5.258 -4.639 1.00 0.00 S ATOM 1050 CE MET A 69 -7.965 3.808 -3.560 1.00 0.00 C ATOM 0 H MET A 69 -3.127 4.961 -6.569 1.00 0.00 H new ATOM 0 HA MET A 69 -5.831 6.136 -7.184 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.451 3.461 -6.517 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.543 4.181 -4.922 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.578 5.031 -7.001 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.777 3.466 -6.236 1.00 0.00 H new ATOM 0 HE1 MET A 69 -8.980 3.449 -3.391 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.376 3.021 -4.032 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.512 4.078 -2.606 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.334 7.803 -5.466 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.066 8.821 -4.422 1.00 0.00 C ATOM 1062 C PRO A 70 -5.960 8.600 -3.198 1.00 0.00 C ATOM 1063 O PRO A 70 -7.029 8.026 -3.290 1.00 0.00 O ATOM 1064 CB PRO A 70 -5.404 10.139 -5.110 1.00 0.00 C ATOM 1065 CG PRO A 70 -6.396 9.790 -6.175 1.00 0.00 C ATOM 1066 CD PRO A 70 -6.182 8.345 -6.543 1.00 0.00 C ATOM 0 HA PRO A 70 -4.041 8.786 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.823 10.855 -4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.513 10.598 -5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.413 9.947 -5.817 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.263 10.431 -7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.129 7.809 -6.608 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.696 8.252 -7.514 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.526 9.063 -2.055 1.00 0.00 N ATOM 1075 CA LEU A 71 -6.332 8.901 -0.804 1.00 0.00 C ATOM 1076 C LEU A 71 -6.113 10.121 0.107 1.00 0.00 C ATOM 1077 O LEU A 71 -5.466 10.016 1.130 1.00 0.00 O ATOM 1078 CB LEU A 71 -5.795 7.629 -0.133 1.00 0.00 C ATOM 1079 CG LEU A 71 -4.273 7.738 0.039 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -3.860 7.176 1.398 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.581 6.950 -1.077 1.00 0.00 C ATOM 0 H LEU A 71 -4.639 9.552 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.401 8.826 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.271 7.489 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.041 6.756 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.977 8.786 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.779 7.257 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.352 7.741 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.154 6.128 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.500 7.025 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.880 5.903 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.869 7.360 -2.045 1.00 0.00 H new ATOM 1093 N PRO A 72 -6.648 11.252 -0.297 1.00 0.00 N ATOM 1094 CA PRO A 72 -6.478 12.490 0.506 1.00 0.00 C ATOM 1095 C PRO A 72 -7.247 12.394 1.825 1.00 0.00 C ATOM 1096 O PRO A 72 -8.259 11.723 1.919 1.00 0.00 O ATOM 1097 CB PRO A 72 -7.058 13.583 -0.390 1.00 0.00 C ATOM 1098 CG PRO A 72 -8.022 12.870 -1.281 1.00 0.00 C ATOM 1099 CD PRO A 72 -7.454 11.495 -1.507 1.00 0.00 C ATOM 0 HA PRO A 72 -5.440 12.678 0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.557 14.353 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.277 14.078 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.008 12.812 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.143 13.400 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.241 10.750 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.844 11.456 -2.410 1.00 0.00 H new ATOM 1107 N THR A 73 -6.772 13.063 2.844 1.00 0.00 N ATOM 1108 CA THR A 73 -7.465 13.027 4.165 1.00 0.00 C ATOM 1109 C THR A 73 -8.337 14.272 4.330 1.00 0.00 C ATOM 1110 O THR A 73 -7.917 15.374 4.029 1.00 0.00 O ATOM 1111 CB THR A 73 -6.342 13.021 5.205 1.00 0.00 C ATOM 1112 OG1 THR A 73 -5.432 14.074 4.921 1.00 0.00 O ATOM 1113 CG2 THR A 73 -5.606 11.681 5.164 1.00 0.00 C ATOM 0 H THR A 73 -5.929 13.636 2.817 1.00 0.00 H new ATOM 0 HA THR A 73 -8.117 12.160 4.267 1.00 0.00 H new ATOM 0 HB THR A 73 -6.767 13.164 6.198 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.924 14.846 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.808 11.682 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.306 10.875 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.180 11.530 4.172 1.00 0.00 H new ATOM 1121 N LYS A 74 -9.545 14.107 4.806 1.00 0.00 N ATOM 1122 CA LYS A 74 -10.446 15.283 4.992 1.00 0.00 C ATOM 1123 C LYS A 74 -10.078 16.044 6.267 1.00 0.00 C ATOM 1124 O LYS A 74 -9.606 15.470 7.231 1.00 0.00 O ATOM 1125 CB LYS A 74 -11.857 14.705 5.103 1.00 0.00 C ATOM 1126 CG LYS A 74 -12.285 14.134 3.750 1.00 0.00 C ATOM 1127 CD LYS A 74 -13.712 13.593 3.854 1.00 0.00 C ATOM 1128 CE LYS A 74 -14.155 13.052 2.493 1.00 0.00 C ATOM 1129 NZ LYS A 74 -15.548 12.573 2.707 1.00 0.00 N ATOM 0 H LYS A 74 -9.946 13.208 5.074 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.363 15.989 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.882 13.924 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.555 15.480 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.233 14.907 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.604 13.339 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.759 12.803 4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.388 14.383 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.117 13.828 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.506 12.243 2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.923 12.186 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.552 11.831 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.144 13.367 3.018 1.00 0.00 H new ATOM 1143 N LEU A 75 -10.295 17.333 6.274 1.00 0.00 N ATOM 1144 CA LEU A 75 -9.968 18.150 7.478 1.00 0.00 C ATOM 1145 C LEU A 75 -11.258 18.616 8.160 1.00 0.00 C ATOM 1146 O LEU A 75 -12.150 19.141 7.523 1.00 0.00 O ATOM 1147 CB LEU A 75 -9.181 19.347 6.943 1.00 0.00 C ATOM 1148 CG LEU A 75 -7.868 18.861 6.328 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -7.198 20.016 5.580 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -6.936 18.368 7.437 1.00 0.00 C ATOM 0 H LEU A 75 -10.687 17.857 5.492 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.399 17.589 8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.770 19.878 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.978 20.052 7.749 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.073 18.045 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.262 19.671 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.860 20.371 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.994 20.830 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.000 18.022 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.732 19.184 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.411 17.547 7.973 1.00 0.00 H new ATOM 1162 N ARG A 76 -11.358 18.422 9.448 1.00 0.00 N ATOM 1163 CA ARG A 76 -12.588 18.847 10.186 1.00 0.00 C ATOM 1164 C ARG A 76 -12.198 19.620 11.456 1.00 0.00 C ATOM 1165 O ARG A 76 -12.421 19.152 12.556 1.00 0.00 O ATOM 1166 CB ARG A 76 -13.325 17.548 10.540 1.00 0.00 C ATOM 1167 CG ARG A 76 -12.391 16.603 11.303 1.00 0.00 C ATOM 1168 CD ARG A 76 -11.742 15.625 10.321 1.00 0.00 C ATOM 1169 NE ARG A 76 -10.349 15.443 10.828 1.00 0.00 N ATOM 1170 CZ ARG A 76 -10.076 14.567 11.772 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -11.023 14.052 12.520 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -8.837 14.213 11.973 1.00 0.00 N ATOM 0 H ARG A 76 -10.639 17.986 10.025 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.217 19.509 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.202 17.772 11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.681 17.064 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.623 17.175 11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.950 16.056 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.280 14.677 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.745 16.023 9.306 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.596 16.008 10.436 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.994 14.329 12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.788 13.375 13.246 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.093 14.614 11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.612 13.535 12.701 1.00 0.00 H new ATOM 1186 N PRO A 77 -11.620 20.788 11.269 1.00 0.00 N ATOM 1187 CA PRO A 77 -11.201 21.615 12.427 1.00 0.00 C ATOM 1188 C PRO A 77 -12.423 22.235 13.109 1.00 0.00 C ATOM 1189 O PRO A 77 -13.422 22.512 12.472 1.00 0.00 O ATOM 1190 CB PRO A 77 -10.315 22.691 11.802 1.00 0.00 C ATOM 1191 CG PRO A 77 -10.773 22.797 10.382 1.00 0.00 C ATOM 1192 CD PRO A 77 -11.311 21.447 9.987 1.00 0.00 C ATOM 0 HA PRO A 77 -10.683 21.044 13.197 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.423 23.642 12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.262 22.415 11.857 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.543 23.562 10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.948 23.088 9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.200 21.540 9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.578 20.879 9.414 1.00 0.00 H new ATOM 1200 N SER A 78 -12.350 22.453 14.397 1.00 0.00 N ATOM 1201 CA SER A 78 -13.508 23.059 15.123 1.00 0.00 C ATOM 1202 C SER A 78 -13.546 24.570 14.882 1.00 0.00 C ATOM 1203 O SER A 78 -12.535 25.189 14.613 1.00 0.00 O ATOM 1204 CB SER A 78 -13.257 22.757 16.600 1.00 0.00 C ATOM 1205 OG SER A 78 -11.935 23.150 16.942 1.00 0.00 O ATOM 0 H SER A 78 -11.539 22.238 14.978 1.00 0.00 H new ATOM 0 HA SER A 78 -14.463 22.657 14.785 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.979 23.289 17.220 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.394 21.693 16.794 1.00 0.00 H new ATOM 0 HG SER A 78 -11.772 22.959 17.889 1.00 0.00 H new ATOM 1211 N ALA A 79 -14.707 25.165 14.986 1.00 0.00 N ATOM 1212 CA ALA A 79 -14.820 26.640 14.774 1.00 0.00 C ATOM 1213 C ALA A 79 -15.025 27.359 16.113 1.00 0.00 C ATOM 1214 O ALA A 79 -14.798 28.548 16.228 1.00 0.00 O ATOM 1215 CB ALA A 79 -16.047 26.821 13.880 1.00 0.00 C ATOM 0 H ALA A 79 -15.583 24.692 15.209 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.920 27.058 14.324 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.197 27.882 13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -15.894 26.291 12.940 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -16.926 26.419 14.383 1.00 0.00 H new ATOM 1221 N ALA A 80 -15.454 26.644 17.132 1.00 0.00 N ATOM 1222 CA ALA A 80 -15.685 27.270 18.476 1.00 0.00 C ATOM 1223 C ALA A 80 -16.765 28.360 18.385 1.00 0.00 C ATOM 1224 O ALA A 80 -16.980 28.926 17.332 1.00 0.00 O ATOM 1225 CB ALA A 80 -14.343 27.877 18.907 1.00 0.00 C ATOM 0 H ALA A 80 -15.655 25.645 17.088 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.034 26.533 19.199 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -14.454 28.348 19.884 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.590 27.091 18.967 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -14.030 28.624 18.177 1.00 0.00 H new ATOM 1231 N PRO A 81 -17.420 28.620 19.497 1.00 0.00 N ATOM 1232 CA PRO A 81 -18.483 29.651 19.518 1.00 0.00 C ATOM 1233 C PRO A 81 -17.865 31.050 19.478 1.00 0.00 C ATOM 1234 O PRO A 81 -16.718 31.240 19.837 1.00 0.00 O ATOM 1235 CB PRO A 81 -19.198 29.410 20.845 1.00 0.00 C ATOM 1236 CG PRO A 81 -18.179 28.755 21.721 1.00 0.00 C ATOM 1237 CD PRO A 81 -17.237 27.997 20.820 1.00 0.00 C ATOM 0 HA PRO A 81 -19.157 29.589 18.663 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -19.549 30.346 21.280 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.072 28.773 20.712 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -17.638 29.500 22.304 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -18.658 28.081 22.431 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.205 28.082 21.161 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -17.478 26.934 20.796 1.00 0.00 H new ATOM 1245 N THR A 82 -18.619 32.026 19.049 1.00 0.00 N ATOM 1246 CA THR A 82 -18.089 33.420 18.986 1.00 0.00 C ATOM 1247 C THR A 82 -19.205 34.411 19.323 1.00 0.00 C ATOM 1248 O THR A 82 -20.370 34.141 19.098 1.00 0.00 O ATOM 1249 CB THR A 82 -17.611 33.614 17.539 1.00 0.00 C ATOM 1250 OG1 THR A 82 -17.157 34.949 17.370 1.00 0.00 O ATOM 1251 CG2 THR A 82 -18.763 33.345 16.566 1.00 0.00 C ATOM 0 H THR A 82 -19.584 31.918 18.738 1.00 0.00 H new ATOM 0 HA THR A 82 -17.280 33.587 19.697 1.00 0.00 H new ATOM 0 HB THR A 82 -16.799 32.917 17.334 1.00 0.00 H new ATOM 0 HG1 THR A 82 -16.850 35.076 16.448 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.415 33.485 15.543 1.00 0.00 H new ATOM 0 HG22 THR A 82 -19.115 32.321 16.693 1.00 0.00 H new ATOM 0 HG23 THR A 82 -19.580 34.037 16.769 1.00 0.00 H new ATOM 1259 N ALA A 83 -18.859 35.554 19.857 1.00 0.00 N ATOM 1260 CA ALA A 83 -19.900 36.566 20.207 1.00 0.00 C ATOM 1261 C ALA A 83 -19.238 37.917 20.514 1.00 0.00 C ATOM 1262 O ALA A 83 -18.926 38.201 21.653 1.00 0.00 O ATOM 1263 CB ALA A 83 -20.603 36.009 21.446 1.00 0.00 C ATOM 0 H ALA A 83 -17.900 35.830 20.066 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.603 36.736 19.392 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -21.384 36.700 21.763 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -21.048 35.043 21.208 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.878 35.886 22.251 1.00 0.00 H new ATOM 1269 N PRO A 84 -19.037 38.713 19.484 1.00 0.00 N ATOM 1270 CA PRO A 84 -18.401 40.039 19.673 1.00 0.00 C ATOM 1271 C PRO A 84 -19.384 41.020 20.328 1.00 0.00 C ATOM 1272 O PRO A 84 -20.581 40.854 20.215 1.00 0.00 O ATOM 1273 CB PRO A 84 -18.059 40.484 18.256 1.00 0.00 C ATOM 1274 CG PRO A 84 -19.020 39.753 17.374 1.00 0.00 C ATOM 1275 CD PRO A 84 -19.375 38.465 18.071 1.00 0.00 C ATOM 0 HA PRO A 84 -17.528 40.001 20.325 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -18.165 41.563 18.145 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.027 40.238 18.004 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -19.913 40.353 17.197 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -18.573 39.553 16.400 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -20.431 38.225 17.950 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -18.809 37.625 17.668 1.00 0.00 H new ATOM 1283 N PRO A 85 -18.850 42.021 20.996 1.00 0.00 N ATOM 1284 CA PRO A 85 -19.715 43.023 21.663 1.00 0.00 C ATOM 1285 C PRO A 85 -20.386 43.928 20.625 1.00 0.00 C ATOM 1286 O PRO A 85 -19.787 44.296 19.632 1.00 0.00 O ATOM 1287 CB PRO A 85 -18.745 43.819 22.531 1.00 0.00 C ATOM 1288 CG PRO A 85 -17.416 43.664 21.864 1.00 0.00 C ATOM 1289 CD PRO A 85 -17.419 42.318 21.190 1.00 0.00 C ATOM 0 HA PRO A 85 -20.522 42.572 22.240 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.037 44.867 22.591 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.722 43.436 23.551 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -17.254 44.460 21.137 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.608 43.729 22.593 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.885 42.346 20.240 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.934 41.561 21.807 1.00 0.00 H new ATOM 1297 N THR A 86 -21.617 44.294 20.859 1.00 0.00 N ATOM 1298 CA THR A 86 -22.337 45.188 19.903 1.00 0.00 C ATOM 1299 C THR A 86 -22.905 46.414 20.633 1.00 0.00 C ATOM 1300 O THR A 86 -23.687 47.164 20.077 1.00 0.00 O ATOM 1301 CB THR A 86 -23.465 44.329 19.325 1.00 0.00 C ATOM 1302 OG1 THR A 86 -24.317 43.898 20.378 1.00 0.00 O ATOM 1303 CG2 THR A 86 -22.871 43.113 18.612 1.00 0.00 C ATOM 0 H THR A 86 -22.159 44.011 21.675 1.00 0.00 H new ATOM 0 HA THR A 86 -21.677 45.570 19.124 1.00 0.00 H new ATOM 0 HB THR A 86 -24.041 44.917 18.611 1.00 0.00 H new ATOM 0 HG1 THR A 86 -25.041 43.349 20.010 1.00 0.00 H new ATOM 0 HG21 THR A 86 -23.676 42.503 18.201 1.00 0.00 H new ATOM 0 HG22 THR A 86 -22.220 43.447 17.804 1.00 0.00 H new ATOM 0 HG23 THR A 86 -22.293 42.521 19.322 1.00 0.00 H new ATOM 1311 N GLY A 87 -22.527 46.621 21.874 1.00 0.00 N ATOM 1312 CA GLY A 87 -23.052 47.789 22.639 1.00 0.00 C ATOM 1313 C GLY A 87 -24.255 47.344 23.469 1.00 0.00 C ATOM 1314 O GLY A 87 -24.949 46.409 23.115 1.00 0.00 O ATOM 0 H GLY A 87 -21.876 46.027 22.387 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -22.275 48.192 23.289 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.342 48.587 21.955 1.00 0.00 H new ATOM 1318 N ALA A 88 -24.506 48.005 24.569 1.00 0.00 N ATOM 1319 CA ALA A 88 -25.665 47.625 25.428 1.00 0.00 C ATOM 1320 C ALA A 88 -25.955 48.735 26.440 1.00 0.00 C ATOM 1321 O ALA A 88 -25.083 49.510 26.788 1.00 0.00 O ATOM 1322 CB ALA A 88 -25.227 46.346 26.143 1.00 0.00 C ATOM 0 H ALA A 88 -23.956 48.794 24.910 1.00 0.00 H new ATOM 0 HA ALA A 88 -26.577 47.475 24.850 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -26.029 46.002 26.797 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -25.004 45.575 25.405 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -24.336 46.548 26.737 1.00 0.00 H new ATOM 1328 N ALA A 89 -27.171 48.817 26.912 1.00 0.00 N ATOM 1329 CA ALA A 89 -27.525 49.874 27.904 1.00 0.00 C ATOM 1330 C ALA A 89 -27.993 49.231 29.212 1.00 0.00 C ATOM 1331 O ALA A 89 -28.667 48.218 29.208 1.00 0.00 O ATOM 1332 CB ALA A 89 -28.664 50.662 27.254 1.00 0.00 C ATOM 0 H ALA A 89 -27.937 48.195 26.652 1.00 0.00 H new ATOM 0 HA ALA A 89 -26.677 50.514 28.149 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -28.982 51.461 27.924 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -28.319 51.092 26.314 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.504 49.995 27.061 1.00 0.00 H new ATOM 1338 N ASP A 90 -27.633 49.811 30.328 1.00 0.00 N ATOM 1339 CA ASP A 90 -28.053 49.235 31.645 1.00 0.00 C ATOM 1340 C ASP A 90 -29.575 49.266 31.777 1.00 0.00 C ATOM 1341 O ASP A 90 -30.183 48.334 32.270 1.00 0.00 O ATOM 1342 CB ASP A 90 -27.405 50.136 32.702 1.00 0.00 C ATOM 1343 CG ASP A 90 -25.968 49.678 32.972 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -25.674 48.518 32.729 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -25.183 50.497 33.422 1.00 0.00 O ATOM 0 H ASP A 90 -27.067 50.658 30.386 1.00 0.00 H new ATOM 0 HA ASP A 90 -27.746 48.195 31.753 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -27.407 51.171 32.360 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -27.985 50.104 33.624 1.00 0.00 H new ATOM 1350 N SER A 91 -30.192 50.328 31.332 1.00 0.00 N ATOM 1351 CA SER A 91 -31.678 50.429 31.419 1.00 0.00 C ATOM 1352 C SER A 91 -32.197 51.373 30.333 1.00 0.00 C ATOM 1353 O SER A 91 -31.532 52.319 29.956 1.00 0.00 O ATOM 1354 CB SER A 91 -31.959 50.993 32.811 1.00 0.00 C ATOM 1355 OG SER A 91 -33.363 51.120 32.993 1.00 0.00 O ATOM 0 H SER A 91 -29.729 51.133 30.910 1.00 0.00 H new ATOM 0 HA SER A 91 -32.172 49.469 31.270 1.00 0.00 H new ATOM 0 HB2 SER A 91 -31.540 50.336 33.573 1.00 0.00 H new ATOM 0 HB3 SER A 91 -31.477 51.964 32.927 1.00 0.00 H new ATOM 0 HG SER A 91 -33.546 51.480 33.886 1.00 0.00 H new ATOM 1361 N ILE A 92 -33.381 51.124 29.832 1.00 0.00 N ATOM 1362 CA ILE A 92 -33.945 52.010 28.770 1.00 0.00 C ATOM 1363 C ILE A 92 -34.174 53.408 29.339 1.00 0.00 C ATOM 1364 O ILE A 92 -34.034 54.406 28.658 1.00 0.00 O ATOM 1365 CB ILE A 92 -35.275 51.341 28.332 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -35.602 51.755 26.890 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -36.452 51.724 29.253 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -35.743 53.280 26.785 1.00 0.00 C ATOM 0 H ILE A 92 -33.980 50.347 30.112 1.00 0.00 H new ATOM 0 HA ILE A 92 -33.276 52.125 27.918 1.00 0.00 H new ATOM 0 HB ILE A 92 -35.140 50.262 28.400 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -34.815 51.410 26.219 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -36.527 51.276 26.569 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -37.361 51.232 28.906 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -36.234 51.407 30.273 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -36.594 52.804 29.232 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -35.975 53.554 25.756 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -36.547 53.617 27.440 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -34.808 53.753 27.085 1.00 0.00 H new ATOM 1380 N ARG A 93 -34.560 53.466 30.586 1.00 0.00 N ATOM 1381 CA ARG A 93 -34.849 54.769 31.245 1.00 0.00 C ATOM 1382 C ARG A 93 -35.915 55.529 30.459 1.00 0.00 C ATOM 1383 O ARG A 93 -35.600 56.459 29.742 1.00 0.00 O ATOM 1384 CB ARG A 93 -33.525 55.550 31.269 1.00 0.00 C ATOM 1385 CG ARG A 93 -32.676 55.067 32.444 1.00 0.00 C ATOM 1386 CD ARG A 93 -31.388 55.887 32.516 1.00 0.00 C ATOM 1387 NE ARG A 93 -31.838 57.273 32.818 1.00 0.00 N ATOM 1388 CZ ARG A 93 -31.404 58.270 32.099 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -30.122 58.486 31.995 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -32.252 59.047 31.483 1.00 0.00 N ATOM 0 H ARG A 93 -34.689 52.650 31.184 1.00 0.00 H new ATOM 0 HA ARG A 93 -35.232 54.629 32.256 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -32.987 55.405 30.332 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -33.721 56.618 31.362 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -33.235 55.166 33.375 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -32.440 54.010 32.325 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -30.721 55.510 33.291 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -30.839 55.845 31.575 1.00 0.00 H new ATOM 0 HE ARG A 93 -32.486 57.443 33.587 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -29.461 57.875 32.476 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -29.780 59.265 31.433 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -33.254 58.874 31.564 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -31.913 59.827 30.920 1.00 0.00 H new ATOM 1404 N PRO A 94 -37.162 55.132 30.626 1.00 0.00 N ATOM 1405 CA PRO A 94 -38.253 55.837 29.928 1.00 0.00 C ATOM 1406 C PRO A 94 -38.291 57.338 30.292 1.00 0.00 C ATOM 1407 O PRO A 94 -38.719 58.124 29.470 1.00 0.00 O ATOM 1408 CB PRO A 94 -39.520 55.087 30.360 1.00 0.00 C ATOM 1409 CG PRO A 94 -39.142 54.413 31.634 1.00 0.00 C ATOM 1410 CD PRO A 94 -37.689 54.031 31.463 1.00 0.00 C ATOM 0 HA PRO A 94 -38.132 55.832 28.845 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -40.355 55.772 30.506 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -39.829 54.364 29.605 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -39.277 55.078 32.487 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -39.762 53.535 31.814 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -37.172 53.966 32.420 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -37.579 53.063 30.975 1.00 0.00 H new ATOM 1418 N PRO A 95 -37.842 57.739 31.487 1.00 0.00 N ATOM 1419 CA PRO A 95 -37.848 59.157 31.837 1.00 0.00 C ATOM 1420 C PRO A 95 -36.429 59.723 31.698 1.00 0.00 C ATOM 1421 O PRO A 95 -35.468 58.979 31.711 1.00 0.00 O ATOM 1422 CB PRO A 95 -38.270 59.128 33.305 1.00 0.00 C ATOM 1423 CG PRO A 95 -37.866 57.767 33.807 1.00 0.00 C ATOM 1424 CD PRO A 95 -37.297 57.007 32.636 1.00 0.00 C ATOM 0 HA PRO A 95 -38.495 59.772 31.212 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -37.778 59.918 33.872 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -39.344 59.283 33.409 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -37.127 57.855 34.603 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -38.724 57.242 34.225 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -36.207 57.012 32.640 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -37.611 55.963 32.638 1.00 0.00 H new ATOM 1432 N PRO A 96 -36.336 61.022 31.582 1.00 0.00 N ATOM 1433 CA PRO A 96 -35.010 61.672 31.458 1.00 0.00 C ATOM 1434 C PRO A 96 -34.291 61.636 32.808 1.00 0.00 C ATOM 1435 O PRO A 96 -34.923 61.609 33.848 1.00 0.00 O ATOM 1436 CB PRO A 96 -35.350 63.102 31.056 1.00 0.00 C ATOM 1437 CG PRO A 96 -36.733 63.329 31.577 1.00 0.00 C ATOM 1438 CD PRO A 96 -37.433 62.000 31.560 1.00 0.00 C ATOM 0 HA PRO A 96 -34.348 61.186 30.741 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -34.644 63.812 31.487 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -35.310 63.229 29.974 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -36.702 63.736 32.588 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -37.264 64.052 30.958 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -38.090 61.883 32.422 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -38.052 61.886 30.670 1.00 0.00 H new ATOM 1446 N TYR A 97 -32.977 61.634 32.809 1.00 0.00 N ATOM 1447 CA TYR A 97 -32.214 61.598 34.104 1.00 0.00 C ATOM 1448 C TYR A 97 -32.725 60.463 35.003 1.00 0.00 C ATOM 1449 O TYR A 97 -33.459 59.601 34.562 1.00 0.00 O ATOM 1450 CB TYR A 97 -32.476 62.959 34.757 1.00 0.00 C ATOM 1451 CG TYR A 97 -31.607 64.006 34.106 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -30.269 64.138 34.491 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -32.140 64.844 33.119 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -29.460 65.109 33.889 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -31.332 65.815 32.517 1.00 0.00 C ATOM 1456 CZ TYR A 97 -29.992 65.948 32.902 1.00 0.00 C ATOM 1457 OH TYR A 97 -29.195 66.905 32.309 1.00 0.00 O ATOM 0 H TYR A 97 -32.398 61.656 31.969 1.00 0.00 H new ATOM 0 HA TYR A 97 -31.151 61.416 33.946 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -33.527 63.228 34.653 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -32.264 62.908 35.825 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -29.860 63.491 35.253 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -33.173 64.741 32.823 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -28.427 65.211 34.185 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -31.742 66.462 31.755 1.00 0.00 H new ATOM 0 HH TYR A 97 -29.718 67.401 31.645 1.00 0.00 H new ATOM 1467 N SER A 98 -32.346 60.460 36.261 1.00 0.00 N ATOM 1468 CA SER A 98 -32.811 59.383 37.197 1.00 0.00 C ATOM 1469 C SER A 98 -32.507 57.993 36.608 1.00 0.00 C ATOM 1470 O SER A 98 -33.347 57.404 35.960 1.00 0.00 O ATOM 1471 CB SER A 98 -34.321 59.597 37.341 1.00 0.00 C ATOM 1472 OG SER A 98 -34.577 60.980 37.550 1.00 0.00 O ATOM 0 H SER A 98 -31.733 61.159 36.681 1.00 0.00 H new ATOM 0 HA SER A 98 -32.305 59.431 38.161 1.00 0.00 H new ATOM 0 HB2 SER A 98 -34.837 59.250 36.446 1.00 0.00 H new ATOM 0 HB3 SER A 98 -34.706 59.013 38.177 1.00 0.00 H new ATOM 0 HG SER A 98 -35.542 61.124 37.641 1.00 0.00 H new ATOM 1478 N PRO A 99 -31.302 57.515 36.844 1.00 0.00 N ATOM 1479 CA PRO A 99 -30.901 56.189 36.312 1.00 0.00 C ATOM 1480 C PRO A 99 -31.579 55.069 37.105 1.00 0.00 C ATOM 1481 O PRO A 99 -31.242 53.919 36.873 1.00 0.00 O ATOM 1482 CB PRO A 99 -29.389 56.161 36.514 1.00 0.00 C ATOM 1483 CG PRO A 99 -29.127 57.108 37.641 1.00 0.00 C ATOM 1484 CD PRO A 99 -30.217 58.148 37.615 1.00 0.00 C ATOM 1485 OXT PRO A 99 -32.423 55.379 37.928 1.00 0.00 O ATOM 0 HA PRO A 99 -31.188 56.041 35.271 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -29.042 55.156 36.755 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -28.865 56.470 35.610 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -29.123 56.579 38.594 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -28.148 57.575 37.531 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -30.543 58.408 38.622 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -29.877 59.069 37.142 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.196 -2.312 -1.959 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.766 1.102 -2.857 1.00 0.00 ZN