USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 611 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 18 HIS HE2 : A 18 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 69 HIS : no HD1:sc= -0.484 K(o=-1.4,f=-4.2!) USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.925 K(o=-1.4,f=0.28) USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 149:sc= -0.433 (180deg=-1.28) USER MOD Set 3.1: A 26 ASN : amide:sc= 0.648 K(o=1.6,f=-2.1!) USER MOD Set 3.2: A 33 THR OG1 : rot 93:sc= 0.942 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00666 (180deg=-0.219) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2 K(o=-2,f=-1.2) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 167:sc= 0 (180deg=-0.174) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.595 K(o=-0.6,f=-1.1) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0175 USER MOD Single : A 50 TYR OH : rot 153:sc= 0.079 USER MOD Single : A 51 HIS : no HE2:sc= -0.559! C(o=-0.56!,f=-3.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 180:sc= 0.0446 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.00081) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.429 2.483 22.535 1.00 0.00 N ATOM 2 CA MET A 1 54.474 3.628 21.582 1.00 0.00 C ATOM 3 C MET A 1 54.869 4.890 22.341 1.00 0.00 C ATOM 4 O MET A 1 54.265 5.231 23.358 1.00 0.00 O ATOM 5 CB MET A 1 53.093 3.819 20.929 1.00 0.00 C ATOM 6 CG MET A 1 52.774 2.662 19.961 1.00 0.00 C ATOM 7 SD MET A 1 51.061 2.817 19.369 1.00 0.00 S ATOM 8 CE MET A 1 51.368 3.722 17.823 1.00 0.00 C ATOM 0 H1 MET A 1 54.431 1.589 22.004 1.00 0.00 H new ATOM 0 H2 MET A 1 55.261 2.517 23.158 1.00 0.00 H new ATOM 0 H3 MET A 1 53.564 2.543 23.109 1.00 0.00 H new ATOM 0 HA MET A 1 55.207 3.427 20.800 1.00 0.00 H new ATOM 0 HB2 MET A 1 52.326 3.873 21.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 53.070 4.766 20.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.464 2.679 19.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 52.910 1.705 20.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.421 3.909 17.317 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.853 4.672 18.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 52.014 3.129 17.176 1.00 0.00 H new ATOM 20 N GLY A 2 55.888 5.576 21.837 1.00 0.00 N ATOM 21 CA GLY A 2 56.365 6.799 22.469 1.00 0.00 C ATOM 22 C GLY A 2 55.303 7.892 22.419 1.00 0.00 C ATOM 23 O GLY A 2 55.184 8.697 23.342 1.00 0.00 O ATOM 0 H GLY A 2 56.398 5.307 20.996 1.00 0.00 H new ATOM 0 HA2 GLY A 2 56.634 6.596 23.506 1.00 0.00 H new ATOM 0 HA3 GLY A 2 57.269 7.143 21.967 1.00 0.00 H new ATOM 27 N ALA A 3 54.540 7.923 21.330 1.00 0.00 N ATOM 28 CA ALA A 3 53.500 8.931 21.164 1.00 0.00 C ATOM 29 C ALA A 3 52.424 8.798 22.262 1.00 0.00 C ATOM 30 O ALA A 3 52.443 7.821 23.004 1.00 0.00 O ATOM 31 CB ALA A 3 52.849 8.764 19.792 1.00 0.00 C ATOM 0 H ALA A 3 54.622 7.266 20.554 1.00 0.00 H new ATOM 0 HA ALA A 3 53.956 9.918 21.245 1.00 0.00 H new ATOM 0 HB1 ALA A 3 52.071 9.516 19.665 1.00 0.00 H new ATOM 0 HB2 ALA A 3 53.603 8.886 19.014 1.00 0.00 H new ATOM 0 HB3 ALA A 3 52.408 7.770 19.717 1.00 0.00 H new ATOM 37 N PRO A 4 51.463 9.718 22.384 1.00 0.00 N ATOM 38 CA PRO A 4 50.393 9.575 23.422 1.00 0.00 C ATOM 39 C PRO A 4 49.548 8.319 23.185 1.00 0.00 C ATOM 40 O PRO A 4 49.408 7.887 22.038 1.00 0.00 O ATOM 41 CB PRO A 4 49.522 10.831 23.269 1.00 0.00 C ATOM 42 CG PRO A 4 50.299 11.787 22.436 1.00 0.00 C ATOM 43 CD PRO A 4 51.272 10.965 21.595 1.00 0.00 C ATOM 0 HA PRO A 4 50.819 9.477 24.421 1.00 0.00 H new ATOM 0 HB2 PRO A 4 48.571 10.588 22.795 1.00 0.00 H new ATOM 0 HB3 PRO A 4 49.291 11.264 24.242 1.00 0.00 H new ATOM 0 HG2 PRO A 4 49.635 12.369 21.797 1.00 0.00 H new ATOM 0 HG3 PRO A 4 50.838 12.496 23.065 1.00 0.00 H new ATOM 0 HD2 PRO A 4 50.865 10.754 20.606 1.00 0.00 H new ATOM 0 HD3 PRO A 4 52.215 11.492 21.446 1.00 0.00 H new ATOM 51 N VAL A 5 48.996 7.749 24.277 1.00 0.00 N ATOM 52 CA VAL A 5 48.151 6.533 24.212 1.00 0.00 C ATOM 53 C VAL A 5 46.950 6.660 25.194 1.00 0.00 C ATOM 54 O VAL A 5 46.916 5.964 26.208 1.00 0.00 O ATOM 55 CB VAL A 5 49.018 5.289 24.597 1.00 0.00 C ATOM 56 CG1 VAL A 5 48.232 3.962 24.502 1.00 0.00 C ATOM 57 CG2 VAL A 5 50.260 5.184 23.694 1.00 0.00 C ATOM 0 H VAL A 5 49.121 8.113 25.222 1.00 0.00 H new ATOM 0 HA VAL A 5 47.763 6.416 23.200 1.00 0.00 H new ATOM 0 HB VAL A 5 49.315 5.442 25.635 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.883 3.133 24.780 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.378 3.996 25.179 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.880 3.820 23.480 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.846 4.311 23.982 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.947 5.084 22.655 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.868 6.082 23.805 1.00 0.00 H new ATOM 67 N PRO A 6 45.961 7.521 24.934 1.00 0.00 N ATOM 68 CA PRO A 6 44.778 7.673 25.849 1.00 0.00 C ATOM 69 C PRO A 6 44.048 6.349 26.085 1.00 0.00 C ATOM 70 O PRO A 6 43.608 6.061 27.200 1.00 0.00 O ATOM 71 CB PRO A 6 43.842 8.641 25.117 1.00 0.00 C ATOM 72 CG PRO A 6 44.683 9.355 24.119 1.00 0.00 C ATOM 73 CD PRO A 6 45.850 8.436 23.773 1.00 0.00 C ATOM 0 HA PRO A 6 45.095 8.026 26.831 1.00 0.00 H new ATOM 0 HB2 PRO A 6 43.030 8.103 24.628 1.00 0.00 H new ATOM 0 HB3 PRO A 6 43.385 9.343 25.814 1.00 0.00 H new ATOM 0 HG2 PRO A 6 44.103 9.593 23.227 1.00 0.00 H new ATOM 0 HG3 PRO A 6 45.044 10.299 24.526 1.00 0.00 H new ATOM 0 HD2 PRO A 6 45.662 7.886 22.851 1.00 0.00 H new ATOM 0 HD3 PRO A 6 46.770 9.002 23.624 1.00 0.00 H new ATOM 81 N TYR A 7 43.926 5.565 25.013 1.00 0.00 N ATOM 82 CA TYR A 7 43.239 4.266 25.074 1.00 0.00 C ATOM 83 C TYR A 7 44.143 3.224 25.772 1.00 0.00 C ATOM 84 O TYR A 7 45.350 3.451 25.859 1.00 0.00 O ATOM 85 CB TYR A 7 42.875 3.775 23.655 1.00 0.00 C ATOM 86 CG TYR A 7 43.293 4.806 22.594 1.00 0.00 C ATOM 87 CD1 TYR A 7 42.427 5.857 22.271 1.00 0.00 C ATOM 88 CD2 TYR A 7 44.540 4.708 21.966 1.00 0.00 C ATOM 89 CE1 TYR A 7 42.804 6.807 21.319 1.00 0.00 C ATOM 90 CE2 TYR A 7 44.918 5.658 21.011 1.00 0.00 C ATOM 91 CZ TYR A 7 44.049 6.708 20.687 1.00 0.00 C ATOM 92 OH TYR A 7 44.421 7.645 19.743 1.00 0.00 O ATOM 0 H TYR A 7 44.292 5.803 24.091 1.00 0.00 H new ATOM 0 HA TYR A 7 42.320 4.388 25.647 1.00 0.00 H new ATOM 0 HB2 TYR A 7 43.368 2.823 23.457 1.00 0.00 H new ATOM 0 HB3 TYR A 7 41.802 3.597 23.592 1.00 0.00 H new ATOM 0 HD1 TYR A 7 41.466 5.934 22.758 1.00 0.00 H new ATOM 0 HD2 TYR A 7 45.210 3.899 22.218 1.00 0.00 H new ATOM 0 HE1 TYR A 7 42.135 7.618 21.071 1.00 0.00 H new ATOM 0 HE2 TYR A 7 45.879 5.582 20.524 1.00 0.00 H new ATOM 0 HH TYR A 7 45.315 7.430 19.403 1.00 0.00 H new ATOM 102 N PRO A 8 43.633 2.090 26.269 1.00 0.00 N ATOM 103 CA PRO A 8 44.500 1.068 26.945 1.00 0.00 C ATOM 104 C PRO A 8 45.339 0.265 25.941 1.00 0.00 C ATOM 105 O PRO A 8 45.277 0.506 24.735 1.00 0.00 O ATOM 106 CB PRO A 8 43.493 0.185 27.690 1.00 0.00 C ATOM 107 CG PRO A 8 42.265 0.237 26.862 1.00 0.00 C ATOM 108 CD PRO A 8 42.213 1.640 26.256 1.00 0.00 C ATOM 0 HA PRO A 8 45.239 1.517 27.609 1.00 0.00 H new ATOM 0 HB2 PRO A 8 43.860 -0.836 27.791 1.00 0.00 H new ATOM 0 HB3 PRO A 8 43.308 0.558 28.697 1.00 0.00 H new ATOM 0 HG2 PRO A 8 42.291 -0.523 26.081 1.00 0.00 H new ATOM 0 HG3 PRO A 8 41.380 0.042 27.467 1.00 0.00 H new ATOM 0 HD2 PRO A 8 41.809 1.623 25.244 1.00 0.00 H new ATOM 0 HD3 PRO A 8 41.578 2.305 26.842 1.00 0.00 H new ATOM 116 N ASP A 9 46.125 -0.683 26.463 1.00 0.00 N ATOM 117 CA ASP A 9 46.995 -1.533 25.638 1.00 0.00 C ATOM 118 C ASP A 9 47.394 -2.811 26.425 1.00 0.00 C ATOM 119 O ASP A 9 48.532 -2.916 26.888 1.00 0.00 O ATOM 120 CB ASP A 9 48.263 -0.748 25.230 1.00 0.00 C ATOM 121 CG ASP A 9 49.166 -1.614 24.348 1.00 0.00 C ATOM 122 OD1 ASP A 9 48.664 -2.147 23.370 1.00 0.00 O ATOM 123 OD2 ASP A 9 50.340 -1.736 24.662 1.00 0.00 O ATOM 0 H ASP A 9 46.177 -0.883 27.462 1.00 0.00 H new ATOM 0 HA ASP A 9 46.453 -1.827 24.739 1.00 0.00 H new ATOM 0 HB2 ASP A 9 47.981 0.158 24.694 1.00 0.00 H new ATOM 0 HB3 ASP A 9 48.807 -0.434 26.121 1.00 0.00 H new ATOM 128 N PRO A 10 46.504 -3.790 26.610 1.00 0.00 N ATOM 129 CA PRO A 10 46.857 -5.035 27.368 1.00 0.00 C ATOM 130 C PRO A 10 47.932 -5.846 26.660 1.00 0.00 C ATOM 131 O PRO A 10 48.613 -6.671 27.269 1.00 0.00 O ATOM 132 CB PRO A 10 45.561 -5.849 27.436 1.00 0.00 C ATOM 133 CG PRO A 10 44.467 -4.971 26.931 1.00 0.00 C ATOM 134 CD PRO A 10 45.102 -3.838 26.133 1.00 0.00 C ATOM 0 HA PRO A 10 47.255 -4.786 28.352 1.00 0.00 H new ATOM 0 HB2 PRO A 10 45.641 -6.752 26.831 1.00 0.00 H new ATOM 0 HB3 PRO A 10 45.359 -6.167 28.459 1.00 0.00 H new ATOM 0 HG2 PRO A 10 43.780 -5.540 26.304 1.00 0.00 H new ATOM 0 HG3 PRO A 10 43.884 -4.572 27.762 1.00 0.00 H new ATOM 0 HD2 PRO A 10 45.054 -4.031 25.061 1.00 0.00 H new ATOM 0 HD3 PRO A 10 44.590 -2.892 26.310 1.00 0.00 H new ATOM 142 N LEU A 11 48.045 -5.622 25.359 1.00 0.00 N ATOM 143 CA LEU A 11 49.008 -6.350 24.534 1.00 0.00 C ATOM 144 C LEU A 11 50.431 -6.110 25.014 1.00 0.00 C ATOM 145 O LEU A 11 51.234 -7.044 25.060 1.00 0.00 O ATOM 146 CB LEU A 11 48.902 -5.883 23.066 1.00 0.00 C ATOM 147 CG LEU A 11 47.558 -6.332 22.407 1.00 0.00 C ATOM 148 CD1 LEU A 11 47.351 -5.592 21.081 1.00 0.00 C ATOM 149 CD2 LEU A 11 47.487 -7.856 22.124 1.00 0.00 C ATOM 0 H LEU A 11 47.483 -4.942 24.848 1.00 0.00 H new ATOM 0 HA LEU A 11 48.777 -7.412 24.613 1.00 0.00 H new ATOM 0 HB2 LEU A 11 48.982 -4.797 23.024 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.739 -6.286 22.495 1.00 0.00 H new ATOM 0 HG LEU A 11 46.777 -6.088 23.127 1.00 0.00 H new ATOM 0 HD11 LEU A 11 46.412 -5.911 20.629 1.00 0.00 H new ATOM 0 HD12 LEU A 11 47.319 -4.518 21.265 1.00 0.00 H new ATOM 0 HD13 LEU A 11 48.175 -5.820 20.405 1.00 0.00 H new ATOM 0 HD21 LEU A 11 46.527 -8.097 21.667 1.00 0.00 H new ATOM 0 HD22 LEU A 11 48.293 -8.138 21.446 1.00 0.00 H new ATOM 0 HD23 LEU A 11 47.591 -8.405 23.060 1.00 0.00 H new ATOM 161 N GLU A 12 50.723 -4.852 25.358 1.00 0.00 N ATOM 162 CA GLU A 12 52.049 -4.433 25.828 1.00 0.00 C ATOM 163 C GLU A 12 53.156 -4.951 24.881 1.00 0.00 C ATOM 164 O GLU A 12 53.913 -5.842 25.272 1.00 0.00 O ATOM 165 CB GLU A 12 52.308 -4.949 27.264 1.00 0.00 C ATOM 166 CG GLU A 12 51.314 -4.335 28.271 1.00 0.00 C ATOM 167 CD GLU A 12 51.548 -4.926 29.657 1.00 0.00 C ATOM 168 OE1 GLU A 12 51.024 -5.994 29.922 1.00 0.00 O ATOM 169 OE2 GLU A 12 52.225 -4.286 30.444 1.00 0.00 O ATOM 0 H GLU A 12 50.044 -4.092 25.318 1.00 0.00 H new ATOM 0 HA GLU A 12 52.072 -3.343 25.834 1.00 0.00 H new ATOM 0 HB2 GLU A 12 52.223 -6.035 27.283 1.00 0.00 H new ATOM 0 HB3 GLU A 12 53.328 -4.704 27.562 1.00 0.00 H new ATOM 0 HG2 GLU A 12 51.437 -3.252 28.302 1.00 0.00 H new ATOM 0 HG3 GLU A 12 50.291 -4.531 27.951 1.00 0.00 H new ATOM 176 N PRO A 13 53.275 -4.443 23.651 1.00 0.00 N ATOM 177 CA PRO A 13 54.333 -4.926 22.706 1.00 0.00 C ATOM 178 C PRO A 13 55.735 -4.769 23.290 1.00 0.00 C ATOM 179 O PRO A 13 56.024 -3.788 23.978 1.00 0.00 O ATOM 180 CB PRO A 13 54.187 -4.042 21.462 1.00 0.00 C ATOM 181 CG PRO A 13 52.842 -3.408 21.551 1.00 0.00 C ATOM 182 CD PRO A 13 52.442 -3.387 23.025 1.00 0.00 C ATOM 0 HA PRO A 13 54.209 -5.988 22.492 1.00 0.00 H new ATOM 0 HB2 PRO A 13 54.971 -3.286 21.429 1.00 0.00 H new ATOM 0 HB3 PRO A 13 54.277 -4.635 20.552 1.00 0.00 H new ATOM 0 HG2 PRO A 13 52.867 -2.396 21.146 1.00 0.00 H new ATOM 0 HG3 PRO A 13 52.114 -3.968 20.964 1.00 0.00 H new ATOM 0 HD2 PRO A 13 52.633 -2.412 23.474 1.00 0.00 H new ATOM 0 HD3 PRO A 13 51.379 -3.593 23.151 1.00 0.00 H new ATOM 190 N ARG A 14 56.597 -5.744 23.018 1.00 0.00 N ATOM 191 CA ARG A 14 57.963 -5.706 23.528 1.00 0.00 C ATOM 192 C ARG A 14 58.694 -4.496 22.954 1.00 0.00 C ATOM 193 O ARG A 14 59.395 -3.785 23.676 1.00 0.00 O ATOM 194 CB ARG A 14 58.697 -7.015 23.144 1.00 0.00 C ATOM 195 CG ARG A 14 60.022 -7.203 23.947 1.00 0.00 C ATOM 196 CD ARG A 14 60.716 -8.527 23.554 1.00 0.00 C ATOM 197 NE ARG A 14 59.884 -9.688 23.905 1.00 0.00 N ATOM 198 CZ ARG A 14 59.768 -10.160 25.140 1.00 0.00 C ATOM 199 NH1 ARG A 14 60.429 -9.600 26.116 1.00 0.00 N ATOM 200 NH2 ARG A 14 59.004 -11.188 25.374 1.00 0.00 N ATOM 0 H ARG A 14 56.376 -6.564 22.452 1.00 0.00 H new ATOM 0 HA ARG A 14 57.945 -5.619 24.614 1.00 0.00 H new ATOM 0 HB2 ARG A 14 58.040 -7.865 23.326 1.00 0.00 H new ATOM 0 HB3 ARG A 14 58.919 -7.006 22.077 1.00 0.00 H new ATOM 0 HG2 ARG A 14 60.692 -6.365 23.755 1.00 0.00 H new ATOM 0 HG3 ARG A 14 59.809 -7.202 25.016 1.00 0.00 H new ATOM 0 HD2 ARG A 14 60.917 -8.531 22.483 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.679 -8.600 24.060 1.00 0.00 H new ATOM 0 HE ARG A 14 59.369 -10.155 23.159 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.034 -8.800 25.929 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.341 -9.962 27.066 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.495 -11.630 24.608 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.914 -11.551 26.323 1.00 0.00 H new ATOM 214 N GLY A 15 58.531 -4.276 21.653 1.00 0.00 N ATOM 215 CA GLY A 15 59.183 -3.154 20.988 1.00 0.00 C ATOM 216 C GLY A 15 60.677 -3.408 20.840 1.00 0.00 C ATOM 217 O GLY A 15 61.168 -4.489 21.168 1.00 0.00 O ATOM 0 H GLY A 15 57.957 -4.856 21.042 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.737 -2.998 20.006 1.00 0.00 H new ATOM 0 HA3 GLY A 15 59.020 -2.241 21.561 1.00 0.00 H new ATOM 221 N GLY A 16 61.392 -2.404 20.345 1.00 0.00 N ATOM 222 CA GLY A 16 62.832 -2.516 20.153 1.00 0.00 C ATOM 223 C GLY A 16 63.434 -1.161 19.834 1.00 0.00 C ATOM 224 O GLY A 16 62.770 -0.302 19.257 1.00 0.00 O ATOM 0 H GLY A 16 60.998 -1.504 20.070 1.00 0.00 H new ATOM 0 HA2 GLY A 16 63.294 -2.923 21.053 1.00 0.00 H new ATOM 0 HA3 GLY A 16 63.043 -3.214 19.343 1.00 0.00 H new ATOM 228 N LYS A 17 64.700 -0.981 20.201 1.00 0.00 N ATOM 229 CA LYS A 17 65.384 0.266 19.927 1.00 0.00 C ATOM 230 C LYS A 17 65.676 0.331 18.448 1.00 0.00 C ATOM 231 O LYS A 17 65.448 1.334 17.815 1.00 0.00 O ATOM 232 CB LYS A 17 66.683 0.328 20.724 1.00 0.00 C ATOM 233 CG LYS A 17 66.357 0.404 22.234 1.00 0.00 C ATOM 234 CD LYS A 17 67.640 0.293 23.072 1.00 0.00 C ATOM 235 CE LYS A 17 67.320 0.372 24.572 1.00 0.00 C ATOM 236 NZ LYS A 17 68.588 0.244 25.344 1.00 0.00 N ATOM 0 H LYS A 17 65.264 -1.680 20.685 1.00 0.00 H new ATOM 0 HA LYS A 17 64.761 1.111 20.219 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.292 -0.552 20.516 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.266 1.198 20.423 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.852 1.344 22.455 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.670 -0.398 22.504 1.00 0.00 H new ATOM 0 HD2 LYS A 17 68.143 -0.649 22.852 1.00 0.00 H new ATOM 0 HD3 LYS A 17 68.328 1.093 22.800 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.832 1.319 24.804 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.627 -0.421 24.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 68.381 0.296 26.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 69.035 -0.670 25.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 69.234 1.016 25.082 1.00 0.00 H new ATOM 250 N HIS A 18 66.223 -0.750 17.921 1.00 0.00 N ATOM 251 CA HIS A 18 66.587 -0.807 16.505 1.00 0.00 C ATOM 252 C HIS A 18 65.423 -0.474 15.562 1.00 0.00 C ATOM 253 O HIS A 18 65.652 0.129 14.509 1.00 0.00 O ATOM 254 CB HIS A 18 67.070 -2.215 16.132 1.00 0.00 C ATOM 255 CG HIS A 18 68.279 -2.189 15.219 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.215 -3.203 15.240 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.728 -1.279 14.307 1.00 0.00 C ATOM 258 CE1 HIS A 18 70.175 -2.874 14.362 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.926 -1.696 13.756 1.00 0.00 N ATOM 0 H HIS A 18 66.427 -1.601 18.445 1.00 0.00 H new ATOM 0 HA HIS A 18 67.370 -0.059 16.380 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.316 -2.764 17.041 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.260 -2.756 15.642 1.00 0.00 H new ATOM 0 HD1 HIS A 18 69.183 -4.045 15.815 1.00 0.00 H new ATOM 0 HD2 HIS A 18 68.219 -0.361 14.051 1.00 0.00 H new ATOM 0 HE1 HIS A 18 71.045 -3.482 14.164 1.00 0.00 H new ATOM 266 N ILE A 19 64.202 -0.879 15.954 1.00 0.00 N ATOM 267 CA ILE A 19 62.988 -0.645 15.155 1.00 0.00 C ATOM 268 C ILE A 19 62.111 0.381 15.850 1.00 0.00 C ATOM 269 O ILE A 19 61.597 0.152 16.943 1.00 0.00 O ATOM 270 CB ILE A 19 62.174 -1.964 14.990 1.00 0.00 C ATOM 271 CG1 ILE A 19 63.032 -3.138 14.424 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.899 -1.763 14.128 1.00 0.00 C ATOM 273 CD1 ILE A 19 63.767 -2.820 13.100 1.00 0.00 C ATOM 0 H ILE A 19 64.030 -1.375 16.829 1.00 0.00 H new ATOM 0 HA ILE A 19 63.290 -0.283 14.172 1.00 0.00 H new ATOM 0 HB ILE A 19 61.863 -2.241 15.997 1.00 0.00 H new ATOM 0 HG12 ILE A 19 63.769 -3.426 15.173 1.00 0.00 H new ATOM 0 HG13 ILE A 19 62.384 -4.001 14.266 1.00 0.00 H new ATOM 0 HG21 ILE A 19 60.365 -2.709 14.042 1.00 0.00 H new ATOM 0 HG22 ILE A 19 60.253 -1.024 14.601 1.00 0.00 H new ATOM 0 HG23 ILE A 19 61.182 -1.414 13.135 1.00 0.00 H new ATOM 0 HD11 ILE A 19 64.338 -3.693 12.782 1.00 0.00 H new ATOM 0 HD12 ILE A 19 63.038 -2.563 12.332 1.00 0.00 H new ATOM 0 HD13 ILE A 19 64.444 -1.980 13.253 1.00 0.00 H new ATOM 285 N CYS A 20 61.910 1.500 15.183 1.00 0.00 N ATOM 286 CA CYS A 20 61.058 2.541 15.724 1.00 0.00 C ATOM 287 C CYS A 20 59.610 2.079 15.718 1.00 0.00 C ATOM 288 O CYS A 20 59.165 1.445 14.775 1.00 0.00 O ATOM 289 CB CYS A 20 61.196 3.787 14.877 1.00 0.00 C ATOM 290 SG CYS A 20 60.313 5.137 15.676 1.00 0.00 S ATOM 0 H CYS A 20 62.321 1.711 14.274 1.00 0.00 H new ATOM 0 HA CYS A 20 61.358 2.758 16.749 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.248 4.045 14.755 1.00 0.00 H new ATOM 0 HB3 CYS A 20 60.793 3.611 13.880 1.00 0.00 H new ATOM 295 N ALA A 21 58.889 2.392 16.777 1.00 0.00 N ATOM 296 CA ALA A 21 57.492 1.996 16.888 1.00 0.00 C ATOM 297 C ALA A 21 56.608 2.862 15.996 1.00 0.00 C ATOM 298 O ALA A 21 55.426 2.555 15.819 1.00 0.00 O ATOM 299 CB ALA A 21 57.036 2.150 18.334 1.00 0.00 C ATOM 0 H ALA A 21 59.244 2.919 17.575 1.00 0.00 H new ATOM 0 HA ALA A 21 57.403 0.957 16.570 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.990 1.854 18.419 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.646 1.516 18.977 1.00 0.00 H new ATOM 0 HB3 ALA A 21 57.145 3.190 18.641 1.00 0.00 H new ATOM 305 N ILE A 22 57.200 3.953 15.467 1.00 0.00 N ATOM 306 CA ILE A 22 56.485 4.921 14.606 1.00 0.00 C ATOM 307 C ILE A 22 56.972 4.816 13.152 1.00 0.00 C ATOM 308 O ILE A 22 56.241 4.364 12.272 1.00 0.00 O ATOM 309 CB ILE A 22 56.718 6.366 15.153 1.00 0.00 C ATOM 310 CG1 ILE A 22 56.003 6.541 16.523 1.00 0.00 C ATOM 311 CG2 ILE A 22 56.192 7.449 14.173 1.00 0.00 C ATOM 312 CD1 ILE A 22 56.732 7.580 17.399 1.00 0.00 C ATOM 0 H ILE A 22 58.180 4.188 15.623 1.00 0.00 H new ATOM 0 HA ILE A 22 55.419 4.694 14.622 1.00 0.00 H new ATOM 0 HB ILE A 22 57.794 6.496 15.267 1.00 0.00 H new ATOM 0 HG12 ILE A 22 54.972 6.856 16.361 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.966 5.584 17.043 1.00 0.00 H new ATOM 0 HG21 ILE A 22 56.374 8.438 14.592 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.710 7.358 13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 22 55.122 7.312 14.019 1.00 0.00 H new ATOM 0 HD11 ILE A 22 56.211 7.683 18.351 1.00 0.00 H new ATOM 0 HD12 ILE A 22 57.755 7.250 17.579 1.00 0.00 H new ATOM 0 HD13 ILE A 22 56.746 8.542 16.887 1.00 0.00 H new ATOM 324 N CYS A 23 58.190 5.294 12.910 1.00 0.00 N ATOM 325 CA CYS A 23 58.765 5.323 11.569 1.00 0.00 C ATOM 326 C CYS A 23 59.012 3.928 11.030 1.00 0.00 C ATOM 327 O CYS A 23 59.185 3.747 9.824 1.00 0.00 O ATOM 328 CB CYS A 23 60.081 6.082 11.622 1.00 0.00 C ATOM 329 SG CYS A 23 59.873 7.539 12.665 1.00 0.00 S ATOM 0 H CYS A 23 58.803 5.670 13.634 1.00 0.00 H new ATOM 0 HA CYS A 23 58.057 5.815 10.902 1.00 0.00 H new ATOM 0 HB2 CYS A 23 60.869 5.443 12.020 1.00 0.00 H new ATOM 0 HB3 CYS A 23 60.387 6.377 10.618 1.00 0.00 H new ATOM 334 N GLY A 24 59.017 2.952 11.927 1.00 0.00 N ATOM 335 CA GLY A 24 59.224 1.568 11.521 1.00 0.00 C ATOM 336 C GLY A 24 60.681 1.265 11.165 1.00 0.00 C ATOM 337 O GLY A 24 61.001 0.096 10.958 1.00 0.00 O ATOM 0 H GLY A 24 58.882 3.089 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.907 0.907 12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.592 1.348 10.661 1.00 0.00 H new ATOM 341 N ASN A 25 61.557 2.303 11.081 1.00 0.00 N ATOM 342 CA ASN A 25 62.989 2.078 10.717 1.00 0.00 C ATOM 343 C ASN A 25 63.950 3.176 11.232 1.00 0.00 C ATOM 344 O ASN A 25 65.111 3.201 10.817 1.00 0.00 O ATOM 345 CB ASN A 25 63.123 1.990 9.162 1.00 0.00 C ATOM 346 CG ASN A 25 62.480 0.720 8.604 1.00 0.00 C ATOM 347 OD1 ASN A 25 61.562 0.787 7.785 1.00 0.00 O ATOM 348 ND2 ASN A 25 62.904 -0.441 9.017 1.00 0.00 N ATOM 0 H ASN A 25 61.310 3.277 11.254 1.00 0.00 H new ATOM 0 HA ASN A 25 63.280 1.146 11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 25 62.655 2.863 8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 25 64.177 2.014 8.887 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.476 -1.296 8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 25 63.664 -0.495 9.695 1.00 0.00 H new ATOM 355 N ASN A 26 63.508 4.019 12.179 1.00 0.00 N ATOM 356 CA ASN A 26 64.399 5.053 12.773 1.00 0.00 C ATOM 357 C ASN A 26 64.974 4.539 14.109 1.00 0.00 C ATOM 358 O ASN A 26 65.435 3.400 14.169 1.00 0.00 O ATOM 359 CB ASN A 26 63.652 6.384 12.918 1.00 0.00 C ATOM 360 CG ASN A 26 64.653 7.516 13.150 1.00 0.00 C ATOM 361 OD1 ASN A 26 64.807 8.021 14.257 1.00 0.00 O ATOM 362 ND2 ASN A 26 65.365 7.929 12.135 1.00 0.00 N ATOM 0 H ASN A 26 62.558 4.014 12.551 1.00 0.00 H new ATOM 0 HA ASN A 26 65.242 5.242 12.109 1.00 0.00 H new ATOM 0 HB2 ASN A 26 63.066 6.582 12.021 1.00 0.00 H new ATOM 0 HB3 ASN A 26 62.951 6.329 13.751 1.00 0.00 H new ATOM 0 HD21 ASN A 26 66.051 8.673 12.262 1.00 0.00 H new ATOM 0 HD22 ASN A 26 65.235 7.507 11.215 1.00 0.00 H new ATOM 369 N ALA A 27 64.890 5.361 15.176 1.00 0.00 N ATOM 370 CA ALA A 27 65.345 4.994 16.514 1.00 0.00 C ATOM 371 C ALA A 27 66.745 4.392 16.480 1.00 0.00 C ATOM 372 O ALA A 27 66.952 3.246 16.878 1.00 0.00 O ATOM 373 CB ALA A 27 64.339 4.024 17.148 1.00 0.00 C ATOM 0 H ALA A 27 64.500 6.302 15.123 1.00 0.00 H new ATOM 0 HA ALA A 27 65.402 5.895 17.125 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.678 3.750 18.147 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.363 4.505 17.215 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.260 3.128 16.533 1.00 0.00 H new ATOM 379 N GLU A 28 67.696 5.183 15.981 1.00 0.00 N ATOM 380 CA GLU A 28 69.079 4.755 15.861 1.00 0.00 C ATOM 381 C GLU A 28 70.025 5.964 15.761 1.00 0.00 C ATOM 382 O GLU A 28 71.177 5.867 16.187 1.00 0.00 O ATOM 383 CB GLU A 28 69.204 3.856 14.610 1.00 0.00 C ATOM 384 CG GLU A 28 70.643 3.362 14.414 1.00 0.00 C ATOM 385 CD GLU A 28 70.658 2.158 13.482 1.00 0.00 C ATOM 386 OE1 GLU A 28 70.368 1.064 13.934 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.942 2.358 12.311 1.00 0.00 O ATOM 0 H GLU A 28 67.524 6.133 15.652 1.00 0.00 H new ATOM 0 HA GLU A 28 69.367 4.195 16.750 1.00 0.00 H new ATOM 0 HB2 GLU A 28 68.535 3.001 14.707 1.00 0.00 H new ATOM 0 HB3 GLU A 28 68.886 4.412 13.728 1.00 0.00 H new ATOM 0 HG2 GLU A 28 71.257 4.161 13.999 1.00 0.00 H new ATOM 0 HG3 GLU A 28 71.078 3.093 15.376 1.00 0.00 H new ATOM 394 N ASP A 29 69.540 7.073 15.176 1.00 0.00 N ATOM 395 CA ASP A 29 70.355 8.295 15.002 1.00 0.00 C ATOM 396 C ASP A 29 69.510 9.576 15.137 1.00 0.00 C ATOM 397 O ASP A 29 69.296 10.052 16.254 1.00 0.00 O ATOM 398 CB ASP A 29 71.055 8.251 13.629 1.00 0.00 C ATOM 399 CG ASP A 29 72.144 7.173 13.608 1.00 0.00 C ATOM 400 OD1 ASP A 29 73.031 7.244 14.440 1.00 0.00 O ATOM 401 OD2 ASP A 29 72.072 6.298 12.760 1.00 0.00 O ATOM 0 H ASP A 29 68.589 7.151 14.815 1.00 0.00 H new ATOM 0 HA ASP A 29 71.102 8.322 15.795 1.00 0.00 H new ATOM 0 HB2 ASP A 29 70.322 8.049 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.495 9.224 13.409 1.00 0.00 H new ATOM 406 N TYR A 30 69.057 10.131 13.999 1.00 0.00 N ATOM 407 CA TYR A 30 68.259 11.367 13.979 1.00 0.00 C ATOM 408 C TYR A 30 66.769 11.047 14.057 1.00 0.00 C ATOM 409 O TYR A 30 66.284 10.199 13.310 1.00 0.00 O ATOM 410 CB TYR A 30 68.549 12.126 12.682 1.00 0.00 C ATOM 411 CG TYR A 30 70.008 12.595 12.683 1.00 0.00 C ATOM 412 CD1 TYR A 30 70.346 13.794 13.322 1.00 0.00 C ATOM 413 CD2 TYR A 30 70.996 11.835 12.052 1.00 0.00 C ATOM 414 CE1 TYR A 30 71.676 14.232 13.327 1.00 0.00 C ATOM 415 CE2 TYR A 30 72.326 12.272 12.057 1.00 0.00 C ATOM 416 CZ TYR A 30 72.666 13.472 12.695 1.00 0.00 C ATOM 417 OH TYR A 30 73.977 13.901 12.702 1.00 0.00 O ATOM 0 H TYR A 30 69.233 9.738 13.074 1.00 0.00 H new ATOM 0 HA TYR A 30 68.528 11.977 14.841 1.00 0.00 H new ATOM 0 HB2 TYR A 30 68.363 11.483 11.822 1.00 0.00 H new ATOM 0 HB3 TYR A 30 67.880 12.982 12.591 1.00 0.00 H new ATOM 0 HD1 TYR A 30 69.582 14.380 13.810 1.00 0.00 H new ATOM 0 HD2 TYR A 30 70.734 10.910 11.560 1.00 0.00 H new ATOM 0 HE1 TYR A 30 71.938 15.157 13.819 1.00 0.00 H new ATOM 0 HE2 TYR A 30 73.090 11.684 11.569 1.00 0.00 H new ATOM 0 HH TYR A 30 74.535 13.256 12.220 1.00 0.00 H new ATOM 427 N LYS A 31 66.061 11.743 14.965 1.00 0.00 N ATOM 428 CA LYS A 31 64.619 11.551 15.167 1.00 0.00 C ATOM 429 C LYS A 31 63.832 12.561 14.320 1.00 0.00 C ATOM 430 O LYS A 31 62.912 13.224 14.805 1.00 0.00 O ATOM 431 CB LYS A 31 64.274 11.716 16.673 1.00 0.00 C ATOM 432 CG LYS A 31 64.937 10.592 17.521 1.00 0.00 C ATOM 433 CD LYS A 31 64.603 10.765 19.029 1.00 0.00 C ATOM 434 CE LYS A 31 65.247 9.642 19.871 1.00 0.00 C ATOM 435 NZ LYS A 31 64.909 9.854 21.307 1.00 0.00 N ATOM 0 H LYS A 31 66.472 12.450 15.575 1.00 0.00 H new ATOM 0 HA LYS A 31 64.341 10.545 14.852 1.00 0.00 H new ATOM 0 HB2 LYS A 31 64.614 12.690 17.024 1.00 0.00 H new ATOM 0 HB3 LYS A 31 63.193 11.689 16.808 1.00 0.00 H new ATOM 0 HG2 LYS A 31 64.589 9.618 17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 31 66.017 10.613 17.379 1.00 0.00 H new ATOM 0 HD2 LYS A 31 64.961 11.735 19.375 1.00 0.00 H new ATOM 0 HD3 LYS A 31 63.522 10.755 19.169 1.00 0.00 H new ATOM 0 HE2 LYS A 31 64.885 8.669 19.539 1.00 0.00 H new ATOM 0 HE3 LYS A 31 66.328 9.643 19.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 65.340 9.101 21.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 65.275 10.777 21.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 63.876 9.833 21.427 1.00 0.00 H new ATOM 449 N HIS A 32 64.216 12.667 13.045 1.00 0.00 N ATOM 450 CA HIS A 32 63.567 13.585 12.107 1.00 0.00 C ATOM 451 C HIS A 32 62.308 12.967 11.512 1.00 0.00 C ATOM 452 O HIS A 32 61.355 13.680 11.195 1.00 0.00 O ATOM 453 CB HIS A 32 64.533 13.946 10.979 1.00 0.00 C ATOM 454 CG HIS A 32 65.281 15.202 11.337 1.00 0.00 C ATOM 455 ND1 HIS A 32 65.309 16.308 10.504 1.00 0.00 N ATOM 456 CD2 HIS A 32 66.033 15.542 12.437 1.00 0.00 C ATOM 457 CE1 HIS A 32 66.055 17.252 11.104 1.00 0.00 C ATOM 458 NE2 HIS A 32 66.521 16.840 12.285 1.00 0.00 N ATOM 0 H HIS A 32 64.978 12.125 12.638 1.00 0.00 H new ATOM 0 HA HIS A 32 63.286 14.483 12.657 1.00 0.00 H new ATOM 0 HB2 HIS A 32 65.234 13.128 10.812 1.00 0.00 H new ATOM 0 HB3 HIS A 32 63.984 14.091 10.049 1.00 0.00 H new ATOM 0 HD2 HIS A 32 66.217 14.903 13.288 1.00 0.00 H new ATOM 0 HE1 HIS A 32 66.253 18.226 10.681 1.00 0.00 H new ATOM 0 HE2 HIS A 32 67.108 17.362 12.936 1.00 0.00 H new ATOM 466 N THR A 33 62.319 11.643 11.356 1.00 0.00 N ATOM 467 CA THR A 33 61.181 10.929 10.785 1.00 0.00 C ATOM 468 C THR A 33 60.076 10.767 11.827 1.00 0.00 C ATOM 469 O THR A 33 58.942 10.426 11.490 1.00 0.00 O ATOM 470 CB THR A 33 61.630 9.549 10.308 1.00 0.00 C ATOM 471 OG1 THR A 33 62.431 8.965 11.318 1.00 0.00 O ATOM 472 CG2 THR A 33 62.439 9.655 9.009 1.00 0.00 C ATOM 0 H THR A 33 63.103 11.045 11.617 1.00 0.00 H new ATOM 0 HA THR A 33 60.794 11.504 9.944 1.00 0.00 H new ATOM 0 HB THR A 33 60.752 8.934 10.111 1.00 0.00 H new ATOM 0 HG1 THR A 33 61.868 8.422 11.908 1.00 0.00 H new ATOM 0 HG21 THR A 33 62.747 8.659 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 33 61.824 10.110 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 33 63.322 10.271 9.180 1.00 0.00 H new ATOM 480 N ASP A 34 60.415 11.024 13.093 1.00 0.00 N ATOM 481 CA ASP A 34 59.437 10.912 14.184 1.00 0.00 C ATOM 482 C ASP A 34 58.419 12.051 14.128 1.00 0.00 C ATOM 483 O ASP A 34 57.450 12.054 14.890 1.00 0.00 O ATOM 484 CB ASP A 34 60.153 10.926 15.537 1.00 0.00 C ATOM 485 CG ASP A 34 60.875 9.600 15.754 1.00 0.00 C ATOM 486 OD1 ASP A 34 60.203 8.616 15.990 1.00 0.00 O ATOM 487 OD2 ASP A 34 62.087 9.586 15.667 1.00 0.00 O ATOM 0 H ASP A 34 61.349 11.308 13.389 1.00 0.00 H new ATOM 0 HA ASP A 34 58.906 9.968 14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 34 60.867 11.749 15.572 1.00 0.00 H new ATOM 0 HB3 ASP A 34 59.433 11.094 16.338 1.00 0.00 H new ATOM 492 N MET A 35 58.670 13.000 13.212 1.00 0.00 N ATOM 493 CA MET A 35 57.815 14.181 12.998 1.00 0.00 C ATOM 494 C MET A 35 57.347 14.231 11.548 1.00 0.00 C ATOM 495 O MET A 35 58.022 13.721 10.653 1.00 0.00 O ATOM 496 CB MET A 35 58.608 15.458 13.315 1.00 0.00 C ATOM 497 CG MET A 35 58.741 15.645 14.837 1.00 0.00 C ATOM 498 SD MET A 35 60.199 16.663 15.234 1.00 0.00 S ATOM 499 CE MET A 35 59.805 18.169 14.305 1.00 0.00 C ATOM 0 H MET A 35 59.480 12.970 12.593 1.00 0.00 H new ATOM 0 HA MET A 35 56.949 14.112 13.656 1.00 0.00 H new ATOM 0 HB2 MET A 35 59.598 15.401 12.862 1.00 0.00 H new ATOM 0 HB3 MET A 35 58.107 16.322 12.879 1.00 0.00 H new ATOM 0 HG2 MET A 35 57.842 16.119 15.230 1.00 0.00 H new ATOM 0 HG3 MET A 35 58.827 14.673 15.322 1.00 0.00 H new ATOM 0 HE1 MET A 35 60.470 18.974 14.618 1.00 0.00 H new ATOM 0 HE2 MET A 35 59.936 17.984 13.239 1.00 0.00 H new ATOM 0 HE3 MET A 35 58.771 18.456 14.499 1.00 0.00 H new ATOM 509 N ASP A 36 56.183 14.845 11.334 1.00 0.00 N ATOM 510 CA ASP A 36 55.607 14.964 9.996 1.00 0.00 C ATOM 511 C ASP A 36 56.311 16.050 9.185 1.00 0.00 C ATOM 512 O ASP A 36 56.019 17.240 9.330 1.00 0.00 O ATOM 513 CB ASP A 36 54.117 15.288 10.110 1.00 0.00 C ATOM 514 CG ASP A 36 53.506 15.429 8.721 1.00 0.00 C ATOM 515 OD1 ASP A 36 53.392 14.422 8.041 1.00 0.00 O ATOM 516 OD2 ASP A 36 53.171 16.543 8.356 1.00 0.00 O ATOM 0 H ASP A 36 55.620 15.268 12.072 1.00 0.00 H new ATOM 0 HA ASP A 36 55.742 14.014 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 36 53.606 14.499 10.662 1.00 0.00 H new ATOM 0 HB3 ASP A 36 53.979 16.212 10.672 1.00 0.00 H new ATOM 521 N LEU A 37 57.237 15.619 8.331 1.00 0.00 N ATOM 522 CA LEU A 37 57.997 16.535 7.480 1.00 0.00 C ATOM 523 C LEU A 37 57.130 16.994 6.311 1.00 0.00 C ATOM 524 O LEU A 37 56.301 16.238 5.804 1.00 0.00 O ATOM 525 CB LEU A 37 59.262 15.833 6.923 1.00 0.00 C ATOM 526 CG LEU A 37 60.159 15.223 8.055 1.00 0.00 C ATOM 527 CD1 LEU A 37 61.377 14.504 7.449 1.00 0.00 C ATOM 528 CD2 LEU A 37 60.680 16.286 9.048 1.00 0.00 C ATOM 0 H LEU A 37 57.481 14.636 8.209 1.00 0.00 H new ATOM 0 HA LEU A 37 58.297 17.394 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 37 58.962 15.042 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 37 59.847 16.550 6.347 1.00 0.00 H new ATOM 0 HG LEU A 37 59.521 14.525 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 37 61.988 14.087 8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 37 61.037 13.701 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 37 61.969 15.215 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 37 61.294 15.804 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 37 61.278 17.023 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 37 59.835 16.783 9.526 1.00 0.00 H new ATOM 540 N THR A 38 57.330 18.237 5.890 1.00 0.00 N ATOM 541 CA THR A 38 56.562 18.790 4.778 1.00 0.00 C ATOM 542 C THR A 38 56.860 18.016 3.492 1.00 0.00 C ATOM 543 O THR A 38 55.939 17.644 2.760 1.00 0.00 O ATOM 544 CB THR A 38 56.918 20.281 4.598 1.00 0.00 C ATOM 545 OG1 THR A 38 56.529 20.995 5.764 1.00 0.00 O ATOM 546 CG2 THR A 38 56.213 20.898 3.368 1.00 0.00 C ATOM 0 H THR A 38 58.011 18.878 6.297 1.00 0.00 H new ATOM 0 HA THR A 38 55.498 18.699 4.997 1.00 0.00 H new ATOM 0 HB THR A 38 57.994 20.353 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.754 21.943 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 38 56.491 21.948 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 38 56.518 20.364 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 38 55.133 20.818 3.490 1.00 0.00 H new ATOM 554 N TYR A 39 58.151 17.781 3.238 1.00 0.00 N ATOM 555 CA TYR A 39 58.595 17.055 2.045 1.00 0.00 C ATOM 556 C TYR A 39 58.519 15.544 2.270 1.00 0.00 C ATOM 557 O TYR A 39 59.516 14.905 2.608 1.00 0.00 O ATOM 558 CB TYR A 39 60.037 17.451 1.710 1.00 0.00 C ATOM 559 CG TYR A 39 60.085 18.933 1.320 1.00 0.00 C ATOM 560 CD1 TYR A 39 60.276 19.910 2.305 1.00 0.00 C ATOM 561 CD2 TYR A 39 59.950 19.312 -0.022 1.00 0.00 C ATOM 562 CE1 TYR A 39 60.328 21.260 1.950 1.00 0.00 C ATOM 563 CE2 TYR A 39 60.003 20.663 -0.376 1.00 0.00 C ATOM 564 CZ TYR A 39 60.195 21.638 0.609 1.00 0.00 C ATOM 565 OH TYR A 39 60.246 22.972 0.260 1.00 0.00 O ATOM 0 H TYR A 39 58.911 18.085 3.847 1.00 0.00 H new ATOM 0 HA TYR A 39 57.938 17.316 1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 39 60.684 17.269 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 39 60.413 16.837 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 39 60.383 19.620 3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 59.805 18.560 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 39 60.471 22.013 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 39 59.896 20.955 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 39 60.138 23.061 -0.710 1.00 0.00 H new ATOM 575 N THR A 40 57.329 14.980 2.081 1.00 0.00 N ATOM 576 CA THR A 40 57.133 13.543 2.265 1.00 0.00 C ATOM 577 C THR A 40 57.856 12.756 1.175 1.00 0.00 C ATOM 578 O THR A 40 58.406 11.685 1.439 1.00 0.00 O ATOM 579 CB THR A 40 55.638 13.202 2.234 1.00 0.00 C ATOM 580 OG1 THR A 40 55.035 13.838 1.117 1.00 0.00 O ATOM 581 CG2 THR A 40 54.954 13.666 3.528 1.00 0.00 C ATOM 0 H THR A 40 56.491 15.491 1.803 1.00 0.00 H new ATOM 0 HA THR A 40 57.547 13.267 3.235 1.00 0.00 H new ATOM 0 HB THR A 40 55.522 12.122 2.149 1.00 0.00 H new ATOM 0 HG1 THR A 40 54.080 13.621 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 40 53.894 13.416 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 40 55.413 13.167 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 40 55.069 14.745 3.634 1.00 0.00 H new ATOM 589 N ASP A 41 57.850 13.304 -0.043 1.00 0.00 N ATOM 590 CA ASP A 41 58.505 12.664 -1.186 1.00 0.00 C ATOM 591 C ASP A 41 60.005 12.936 -1.152 1.00 0.00 C ATOM 592 O ASP A 41 60.428 14.085 -1.316 1.00 0.00 O ATOM 593 CB ASP A 41 57.916 13.202 -2.494 1.00 0.00 C ATOM 594 CG ASP A 41 58.555 12.493 -3.685 1.00 0.00 C ATOM 595 OD1 ASP A 41 58.316 11.306 -3.835 1.00 0.00 O ATOM 596 OD2 ASP A 41 59.261 13.148 -4.430 1.00 0.00 O ATOM 0 H ASP A 41 57.398 14.191 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 41 58.336 11.589 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 41 56.837 13.050 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 41 58.087 14.276 -2.565 1.00 0.00 H new ATOM 601 N ARG A 42 60.781 11.864 -0.928 1.00 0.00 N ATOM 602 CA ARG A 42 62.251 11.934 -0.856 1.00 0.00 C ATOM 603 C ARG A 42 62.861 10.898 -1.788 1.00 0.00 C ATOM 604 O ARG A 42 62.871 9.704 -1.484 1.00 0.00 O ATOM 605 CB ARG A 42 62.731 11.667 0.583 1.00 0.00 C ATOM 606 CG ARG A 42 62.249 12.782 1.552 1.00 0.00 C ATOM 607 CD ARG A 42 62.709 12.502 2.996 1.00 0.00 C ATOM 608 NE ARG A 42 64.173 12.535 3.091 1.00 0.00 N ATOM 609 CZ ARG A 42 64.881 13.654 3.144 1.00 0.00 C ATOM 610 NH1 ARG A 42 64.281 14.812 3.118 1.00 0.00 N ATOM 611 NH2 ARG A 42 66.184 13.599 3.222 1.00 0.00 N ATOM 0 H ARG A 42 60.408 10.924 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 42 62.567 12.933 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.356 10.701 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 42 63.819 11.611 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.638 13.746 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 42 61.162 12.850 1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.279 13.243 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.341 11.528 3.318 1.00 0.00 H new ATOM 0 HE ARG A 42 64.674 11.647 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 42 63.264 14.858 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 42 64.829 15.671 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 42 66.656 12.695 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 42 66.729 14.460 3.263 1.00 0.00 H new ATOM 625 N ASP A 43 63.369 11.373 -2.924 1.00 0.00 N ATOM 626 CA ASP A 43 63.987 10.500 -3.915 1.00 0.00 C ATOM 627 C ASP A 43 65.378 10.080 -3.471 1.00 0.00 C ATOM 628 O ASP A 43 66.287 10.907 -3.373 1.00 0.00 O ATOM 629 CB ASP A 43 64.086 11.224 -5.253 1.00 0.00 C ATOM 630 CG ASP A 43 64.687 10.301 -6.307 1.00 0.00 C ATOM 631 OD1 ASP A 43 64.082 9.277 -6.580 1.00 0.00 O ATOM 632 OD2 ASP A 43 65.742 10.631 -6.821 1.00 0.00 O ATOM 0 H ASP A 43 63.364 12.360 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 43 63.366 9.610 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 43 63.097 11.555 -5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 43 64.702 12.117 -5.147 1.00 0.00 H new ATOM 637 N TYR A 44 65.519 8.785 -3.214 1.00 0.00 N ATOM 638 CA TYR A 44 66.787 8.201 -2.780 1.00 0.00 C ATOM 639 C TYR A 44 67.665 7.875 -3.982 1.00 0.00 C ATOM 640 O TYR A 44 67.174 7.436 -5.022 1.00 0.00 O ATOM 641 CB TYR A 44 66.530 6.923 -1.984 1.00 0.00 C ATOM 642 CG TYR A 44 65.787 7.267 -0.688 1.00 0.00 C ATOM 643 CD1 TYR A 44 66.511 7.624 0.460 1.00 0.00 C ATOM 644 CD2 TYR A 44 64.388 7.223 -0.645 1.00 0.00 C ATOM 645 CE1 TYR A 44 65.834 7.932 1.643 1.00 0.00 C ATOM 646 CE2 TYR A 44 63.711 7.532 0.541 1.00 0.00 C ATOM 647 CZ TYR A 44 64.432 7.888 1.686 1.00 0.00 C ATOM 648 OH TYR A 44 63.769 8.196 2.856 1.00 0.00 O ATOM 0 H TYR A 44 64.760 8.109 -3.300 1.00 0.00 H new ATOM 0 HA TYR A 44 67.300 8.928 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 44 65.941 6.224 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 44 67.474 6.429 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 44 67.590 7.661 0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 44 63.830 6.950 -1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 44 66.391 8.205 2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 44 62.632 7.496 0.572 1.00 0.00 H new ATOM 0 HH TYR A 44 62.802 8.118 2.715 1.00 0.00 H new ATOM 658 N LYS A 45 68.963 8.100 -3.837 1.00 0.00 N ATOM 659 CA LYS A 45 69.900 7.831 -4.923 1.00 0.00 C ATOM 660 C LYS A 45 69.943 6.337 -5.233 1.00 0.00 C ATOM 661 O LYS A 45 69.946 5.948 -6.403 1.00 0.00 O ATOM 662 CB LYS A 45 71.313 8.318 -4.537 1.00 0.00 C ATOM 663 CG LYS A 45 71.348 9.866 -4.420 1.00 0.00 C ATOM 664 CD LYS A 45 72.749 10.356 -3.976 1.00 0.00 C ATOM 665 CE LYS A 45 72.784 11.895 -3.871 1.00 0.00 C ATOM 666 NZ LYS A 45 74.142 12.322 -3.441 1.00 0.00 N ATOM 0 H LYS A 45 69.391 8.465 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 45 69.562 8.368 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 45 71.611 7.870 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.034 7.989 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.089 10.313 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.598 10.197 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.005 9.915 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.500 10.019 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 45 72.536 12.343 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 45 72.037 12.240 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 74.173 13.359 -3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 74.361 11.903 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 74.844 12.003 -4.139 1.00 0.00 H new ATOM 680 N ASN A 46 69.978 5.520 -4.173 1.00 0.00 N ATOM 681 CA ASN A 46 70.026 4.059 -4.302 1.00 0.00 C ATOM 682 C ASN A 46 71.189 3.633 -5.194 1.00 0.00 C ATOM 683 O ASN A 46 71.092 2.654 -5.934 1.00 0.00 O ATOM 684 CB ASN A 46 68.705 3.521 -4.873 1.00 0.00 C ATOM 685 CG ASN A 46 67.529 4.142 -4.127 1.00 0.00 C ATOM 686 OD1 ASN A 46 67.462 4.071 -2.901 1.00 0.00 O ATOM 687 ND2 ASN A 46 66.596 4.760 -4.800 1.00 0.00 N ATOM 0 H ASN A 46 69.974 5.851 -3.208 1.00 0.00 H new ATOM 0 HA ASN A 46 70.176 3.639 -3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 46 68.636 3.753 -5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 46 68.674 2.435 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 46 65.810 5.185 -4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 46 66.654 4.818 -5.817 1.00 0.00 H new ATOM 694 N CYS A 47 72.283 4.385 -5.127 1.00 0.00 N ATOM 695 CA CYS A 47 73.455 4.087 -5.942 1.00 0.00 C ATOM 696 C CYS A 47 74.053 2.732 -5.575 1.00 0.00 C ATOM 697 O CYS A 47 74.345 1.926 -6.462 1.00 0.00 O ATOM 698 CB CYS A 47 74.507 5.181 -5.759 1.00 0.00 C ATOM 699 SG CYS A 47 74.197 6.514 -6.941 1.00 0.00 S ATOM 0 H CYS A 47 72.382 5.200 -4.521 1.00 0.00 H new ATOM 0 HA CYS A 47 73.141 4.051 -6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 47 74.473 5.568 -4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 47 75.505 4.770 -5.910 1.00 0.00 H new ATOM 0 HG CYS A 47 75.089 7.447 -6.786 1.00 0.00 H new ATOM 705 N GLU A 48 74.227 2.506 -4.261 1.00 0.00 N ATOM 706 CA GLU A 48 74.786 1.252 -3.722 1.00 0.00 C ATOM 707 C GLU A 48 73.969 0.815 -2.512 1.00 0.00 C ATOM 708 O GLU A 48 73.575 1.642 -1.688 1.00 0.00 O ATOM 709 CB GLU A 48 76.258 1.457 -3.299 1.00 0.00 C ATOM 710 CG GLU A 48 77.222 1.338 -4.500 1.00 0.00 C ATOM 711 CD GLU A 48 77.494 -0.129 -4.840 1.00 0.00 C ATOM 712 OE1 GLU A 48 78.114 -0.800 -4.033 1.00 0.00 O ATOM 713 OE2 GLU A 48 77.059 -0.558 -5.897 1.00 0.00 O ATOM 0 H GLU A 48 73.984 3.187 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 48 74.745 0.485 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 48 76.371 2.439 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 48 76.525 0.718 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 48 76.794 1.843 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 48 78.161 1.842 -4.269 1.00 0.00 H new ATOM 720 N SER A 49 73.706 -0.491 -2.425 1.00 0.00 N ATOM 721 CA SER A 49 72.922 -1.052 -1.329 1.00 0.00 C ATOM 722 C SER A 49 73.103 -2.565 -1.283 1.00 0.00 C ATOM 723 O SER A 49 73.383 -3.187 -2.310 1.00 0.00 O ATOM 724 CB SER A 49 71.441 -0.728 -1.532 1.00 0.00 C ATOM 725 OG SER A 49 70.673 -1.386 -0.534 1.00 0.00 O ATOM 0 H SER A 49 74.027 -1.180 -3.105 1.00 0.00 H new ATOM 0 HA SER A 49 73.265 -0.616 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 49 71.282 0.349 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 49 71.120 -1.048 -2.523 1.00 0.00 H new ATOM 0 HG SER A 49 69.724 -1.178 -0.662 1.00 0.00 H new ATOM 731 N TYR A 50 72.941 -3.133 -0.083 1.00 0.00 N ATOM 732 CA TYR A 50 73.072 -4.577 0.141 1.00 0.00 C ATOM 733 C TYR A 50 72.119 -5.000 1.254 1.00 0.00 C ATOM 734 O TYR A 50 71.803 -4.188 2.128 1.00 0.00 O ATOM 735 CB TYR A 50 74.515 -4.920 0.528 1.00 0.00 C ATOM 736 CG TYR A 50 75.451 -4.667 -0.660 1.00 0.00 C ATOM 737 CD1 TYR A 50 75.549 -5.628 -1.674 1.00 0.00 C ATOM 738 CD2 TYR A 50 76.201 -3.485 -0.741 1.00 0.00 C ATOM 739 CE1 TYR A 50 76.400 -5.410 -2.765 1.00 0.00 C ATOM 740 CE2 TYR A 50 77.050 -3.268 -1.831 1.00 0.00 C ATOM 741 CZ TYR A 50 77.150 -4.231 -2.845 1.00 0.00 C ATOM 742 OH TYR A 50 77.987 -4.015 -3.921 1.00 0.00 O ATOM 0 H TYR A 50 72.715 -2.605 0.760 1.00 0.00 H new ATOM 0 HA TYR A 50 72.821 -5.111 -0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 50 74.825 -4.316 1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 50 74.579 -5.963 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 50 74.969 -6.537 -1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 50 76.123 -2.742 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 50 76.478 -6.153 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 50 77.629 -2.358 -1.892 1.00 0.00 H new ATOM 0 HH TYR A 50 78.090 -3.051 -4.067 1.00 0.00 H new ATOM 752 N HIS A 51 71.668 -6.268 1.207 1.00 0.00 N ATOM 753 CA HIS A 51 70.739 -6.834 2.199 1.00 0.00 C ATOM 754 C HIS A 51 71.455 -7.872 3.058 1.00 0.00 C ATOM 755 O HIS A 51 70.821 -8.617 3.809 1.00 0.00 O ATOM 756 CB HIS A 51 69.572 -7.504 1.465 1.00 0.00 C ATOM 757 CG HIS A 51 68.853 -6.479 0.634 1.00 0.00 C ATOM 758 ND1 HIS A 51 68.082 -5.474 1.202 1.00 0.00 N ATOM 759 CD2 HIS A 51 68.766 -6.290 -0.724 1.00 0.00 C ATOM 760 CE1 HIS A 51 67.577 -4.734 0.199 1.00 0.00 C ATOM 761 NE2 HIS A 51 67.962 -5.189 -0.993 1.00 0.00 N ATOM 0 H HIS A 51 71.939 -6.928 0.478 1.00 0.00 H new ATOM 0 HA HIS A 51 70.370 -6.035 2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 51 69.941 -8.309 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 51 68.886 -7.953 2.183 1.00 0.00 H new ATOM 0 HD1 HIS A 51 67.927 -5.324 2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.249 -6.904 -1.470 1.00 0.00 H new ATOM 0 HE1 HIS A 51 66.937 -3.876 0.342 1.00 0.00 H new ATOM 769 N LYS A 52 72.778 -7.923 2.936 1.00 0.00 N ATOM 770 CA LYS A 52 73.566 -8.886 3.701 1.00 0.00 C ATOM 771 C LYS A 52 73.401 -8.624 5.191 1.00 0.00 C ATOM 772 O LYS A 52 73.220 -9.563 5.970 1.00 0.00 O ATOM 773 CB LYS A 52 75.060 -8.784 3.328 1.00 0.00 C ATOM 774 CG LYS A 52 75.298 -9.227 1.860 1.00 0.00 C ATOM 775 CD LYS A 52 76.786 -9.049 1.463 1.00 0.00 C ATOM 776 CE LYS A 52 77.026 -9.491 0.007 1.00 0.00 C ATOM 777 NZ LYS A 52 78.461 -9.277 -0.338 1.00 0.00 N ATOM 0 H LYS A 52 73.323 -7.317 2.323 1.00 0.00 H new ATOM 0 HA LYS A 52 73.209 -9.888 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.403 -7.758 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 52 75.650 -9.408 4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 52 75.008 -10.271 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 52 74.667 -8.641 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 52 77.075 -8.005 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 52 77.417 -9.633 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 52 76.763 -10.542 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 52 76.388 -8.922 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 78.630 -9.574 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 78.696 -8.269 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 79.059 -9.839 0.301 1.00 0.00 H new ATOM 791 N CYS A 53 73.447 -7.347 5.578 1.00 0.00 N ATOM 792 CA CYS A 53 73.290 -6.975 6.974 1.00 0.00 C ATOM 793 C CYS A 53 71.809 -7.012 7.369 1.00 0.00 C ATOM 794 O CYS A 53 71.045 -7.821 6.838 1.00 0.00 O ATOM 795 CB CYS A 53 73.860 -5.575 7.166 1.00 0.00 C ATOM 796 SG CYS A 53 75.427 -5.443 6.271 1.00 0.00 S ATOM 0 H CYS A 53 73.591 -6.562 4.943 1.00 0.00 H new ATOM 0 HA CYS A 53 73.824 -7.680 7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 53 73.155 -4.829 6.800 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.015 -5.375 8.226 1.00 0.00 H new ATOM 0 HG CYS A 53 75.918 -4.250 6.429 1.00 0.00 H new ATOM 802 N SER A 54 71.422 -6.114 8.283 1.00 0.00 N ATOM 803 CA SER A 54 70.053 -5.996 8.757 1.00 0.00 C ATOM 804 C SER A 54 69.260 -5.090 7.831 1.00 0.00 C ATOM 805 O SER A 54 69.140 -3.893 8.084 1.00 0.00 O ATOM 806 CB SER A 54 70.036 -5.401 10.161 1.00 0.00 C ATOM 807 OG SER A 54 70.508 -6.369 11.088 1.00 0.00 O ATOM 0 H SER A 54 72.062 -5.447 8.713 1.00 0.00 H new ATOM 0 HA SER A 54 69.605 -6.989 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 54 70.662 -4.510 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 54 69.025 -5.091 10.425 1.00 0.00 H new ATOM 0 HG SER A 54 70.500 -5.988 11.991 1.00 0.00 H new ATOM 813 N ASP A 55 68.766 -5.682 6.750 1.00 0.00 N ATOM 814 CA ASP A 55 67.983 -4.968 5.720 1.00 0.00 C ATOM 815 C ASP A 55 66.936 -4.039 6.346 1.00 0.00 C ATOM 816 O ASP A 55 66.609 -2.989 5.793 1.00 0.00 O ATOM 817 CB ASP A 55 67.265 -5.977 4.816 1.00 0.00 C ATOM 818 CG ASP A 55 66.351 -5.243 3.836 1.00 0.00 C ATOM 819 OD1 ASP A 55 66.796 -4.256 3.267 1.00 0.00 O ATOM 820 OD2 ASP A 55 65.224 -5.672 3.673 1.00 0.00 O ATOM 0 H ASP A 55 68.892 -6.675 6.552 1.00 0.00 H new ATOM 0 HA ASP A 55 68.682 -4.366 5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.996 -6.572 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.681 -6.669 5.422 1.00 0.00 H new ATOM 825 N LEU A 56 66.426 -4.444 7.502 1.00 0.00 N ATOM 826 CA LEU A 56 65.423 -3.668 8.221 1.00 0.00 C ATOM 827 C LEU A 56 66.002 -2.301 8.592 1.00 0.00 C ATOM 828 O LEU A 56 65.365 -1.277 8.354 1.00 0.00 O ATOM 829 CB LEU A 56 65.012 -4.407 9.526 1.00 0.00 C ATOM 830 CG LEU A 56 64.662 -5.918 9.294 1.00 0.00 C ATOM 831 CD1 LEU A 56 64.154 -6.564 10.598 1.00 0.00 C ATOM 832 CD2 LEU A 56 63.576 -6.108 8.217 1.00 0.00 C ATOM 0 H LEU A 56 66.693 -5.313 7.965 1.00 0.00 H new ATOM 0 HA LEU A 56 64.550 -3.544 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 56 65.825 -4.335 10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 56 64.150 -3.904 9.965 1.00 0.00 H new ATOM 0 HG LEU A 56 65.583 -6.396 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 56 63.916 -7.612 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 56 64.927 -6.494 11.364 1.00 0.00 H new ATOM 0 HD13 LEU A 56 63.259 -6.043 10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 63.369 -7.171 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 56 62.665 -5.594 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.925 -5.694 7.271 1.00 0.00 H new ATOM 844 N CYS A 57 67.222 -2.310 9.146 1.00 0.00 N ATOM 845 CA CYS A 57 67.926 -1.093 9.543 1.00 0.00 C ATOM 846 C CYS A 57 68.787 -0.609 8.374 1.00 0.00 C ATOM 847 O CYS A 57 69.682 -1.309 7.905 1.00 0.00 O ATOM 848 CB CYS A 57 68.763 -1.414 10.780 1.00 0.00 C ATOM 849 SG CYS A 57 69.989 -0.106 11.089 1.00 0.00 S ATOM 0 H CYS A 57 67.746 -3.166 9.330 1.00 0.00 H new ATOM 0 HA CYS A 57 67.232 -0.290 9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 57 68.112 -1.520 11.648 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.270 -2.369 10.643 1.00 0.00 H new ATOM 854 N GLN A 58 68.461 0.567 7.864 1.00 0.00 N ATOM 855 CA GLN A 58 69.155 1.122 6.701 1.00 0.00 C ATOM 856 C GLN A 58 70.622 1.467 6.954 1.00 0.00 C ATOM 857 O GLN A 58 71.456 1.335 6.060 1.00 0.00 O ATOM 858 CB GLN A 58 68.410 2.386 6.210 1.00 0.00 C ATOM 859 CG GLN A 58 68.539 3.553 7.223 1.00 0.00 C ATOM 860 CD GLN A 58 67.416 4.566 6.996 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.239 4.254 7.173 1.00 0.00 O ATOM 862 NE2 GLN A 58 67.723 5.775 6.612 1.00 0.00 N ATOM 0 H GLN A 58 67.719 1.161 8.234 1.00 0.00 H new ATOM 0 HA GLN A 58 69.150 0.339 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.812 2.695 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 58 67.357 2.152 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 58 68.493 3.168 8.242 1.00 0.00 H new ATOM 0 HG3 GLN A 58 69.508 4.039 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 58 68.699 6.031 6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.986 6.464 6.458 1.00 0.00 H new ATOM 871 N TYR A 59 70.913 1.948 8.153 1.00 0.00 N ATOM 872 CA TYR A 59 72.265 2.368 8.513 1.00 0.00 C ATOM 873 C TYR A 59 73.183 1.187 8.801 1.00 0.00 C ATOM 874 O TYR A 59 74.401 1.291 8.648 1.00 0.00 O ATOM 875 CB TYR A 59 72.188 3.290 9.721 1.00 0.00 C ATOM 876 CG TYR A 59 72.716 4.677 9.348 1.00 0.00 C ATOM 877 CD1 TYR A 59 74.089 4.935 9.424 1.00 0.00 C ATOM 878 CD2 TYR A 59 71.837 5.682 8.928 1.00 0.00 C ATOM 879 CE1 TYR A 59 74.583 6.202 9.080 1.00 0.00 C ATOM 880 CE2 TYR A 59 72.331 6.947 8.588 1.00 0.00 C ATOM 881 CZ TYR A 59 73.702 7.207 8.661 1.00 0.00 C ATOM 882 OH TYR A 59 74.185 8.453 8.325 1.00 0.00 O ATOM 0 H TYR A 59 70.228 2.059 8.900 1.00 0.00 H new ATOM 0 HA TYR A 59 72.696 2.896 7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 59 71.158 3.364 10.068 1.00 0.00 H new ATOM 0 HB3 TYR A 59 72.773 2.877 10.543 1.00 0.00 H new ATOM 0 HD1 TYR A 59 74.768 4.160 9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 59 70.778 5.482 8.866 1.00 0.00 H new ATOM 0 HE1 TYR A 59 75.643 6.403 9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 59 71.651 7.723 8.269 1.00 0.00 H new ATOM 0 HH TYR A 59 73.441 9.031 8.055 1.00 0.00 H new ATOM 892 N CYS A 60 72.602 0.068 9.218 1.00 0.00 N ATOM 893 CA CYS A 60 73.389 -1.118 9.522 1.00 0.00 C ATOM 894 C CYS A 60 74.126 -1.619 8.280 1.00 0.00 C ATOM 895 O CYS A 60 75.113 -2.346 8.387 1.00 0.00 O ATOM 896 CB CYS A 60 72.484 -2.236 10.020 1.00 0.00 C ATOM 897 SG CYS A 60 72.363 -2.266 11.850 1.00 0.00 S ATOM 0 H CYS A 60 71.597 -0.042 9.352 1.00 0.00 H new ATOM 0 HA CYS A 60 74.112 -0.844 10.290 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.488 -2.112 9.594 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.865 -3.194 9.667 1.00 0.00 H new ATOM 902 N ARG A 61 73.612 -1.249 7.104 1.00 0.00 N ATOM 903 CA ARG A 61 74.191 -1.685 5.828 1.00 0.00 C ATOM 904 C ARG A 61 75.653 -1.275 5.725 1.00 0.00 C ATOM 905 O ARG A 61 76.466 -2.017 5.167 1.00 0.00 O ATOM 906 CB ARG A 61 73.412 -1.045 4.664 1.00 0.00 C ATOM 907 CG ARG A 61 71.966 -1.598 4.600 1.00 0.00 C ATOM 908 CD ARG A 61 71.149 -0.895 3.504 1.00 0.00 C ATOM 909 NE ARG A 61 69.811 -1.475 3.456 1.00 0.00 N ATOM 910 CZ ARG A 61 68.902 -1.059 2.579 1.00 0.00 C ATOM 911 NH1 ARG A 61 69.203 -0.114 1.732 1.00 0.00 N ATOM 912 NH2 ARG A 61 67.712 -1.597 2.567 1.00 0.00 N ATOM 0 H ARG A 61 72.794 -0.647 7.008 1.00 0.00 H new ATOM 0 HA ARG A 61 74.124 -2.772 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.387 0.038 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.925 -1.246 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.992 -2.670 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.478 -1.461 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 61 71.088 0.174 3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.642 -1.007 2.538 1.00 0.00 H new ATOM 0 HE ARG A 61 69.567 -2.218 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 61 70.133 0.304 1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 61 68.508 0.207 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.480 -2.336 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 61 67.015 -1.278 1.894 1.00 0.00 H new ATOM 926 N TYR A 62 75.970 -0.100 6.271 1.00 0.00 N ATOM 927 CA TYR A 62 77.336 0.428 6.249 1.00 0.00 C ATOM 928 C TYR A 62 78.128 -0.036 7.459 1.00 0.00 C ATOM 929 O TYR A 62 79.217 -0.595 7.311 1.00 0.00 O ATOM 930 CB TYR A 62 77.302 1.957 6.243 1.00 0.00 C ATOM 931 CG TYR A 62 76.648 2.444 4.948 1.00 0.00 C ATOM 932 CD1 TYR A 62 75.261 2.616 4.893 1.00 0.00 C ATOM 933 CD2 TYR A 62 77.436 2.726 3.823 1.00 0.00 C ATOM 934 CE1 TYR A 62 74.659 3.067 3.712 1.00 0.00 C ATOM 935 CE2 TYR A 62 76.831 3.171 2.642 1.00 0.00 C ATOM 936 CZ TYR A 62 75.448 3.346 2.587 1.00 0.00 C ATOM 937 OH TYR A 62 74.856 3.789 1.423 1.00 0.00 O ATOM 0 H TYR A 62 75.296 0.507 6.736 1.00 0.00 H new ATOM 0 HA TYR A 62 77.820 0.055 5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.745 2.323 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 62 78.313 2.355 6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.655 2.401 5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 62 78.508 2.600 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 62 73.588 3.200 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 62 77.436 3.379 1.772 1.00 0.00 H new ATOM 0 HH TYR A 62 75.544 3.936 0.741 1.00 0.00 H new ATOM 947 N GLN A 63 77.571 0.228 8.651 1.00 0.00 N ATOM 948 CA GLN A 63 78.204 -0.132 9.932 1.00 0.00 C ATOM 949 C GLN A 63 77.144 -0.578 10.925 1.00 0.00 C ATOM 950 O GLN A 63 76.266 0.199 11.276 1.00 0.00 O ATOM 951 CB GLN A 63 78.956 1.078 10.549 1.00 0.00 C ATOM 952 CG GLN A 63 80.241 1.429 9.771 1.00 0.00 C ATOM 953 CD GLN A 63 80.938 2.634 10.399 1.00 0.00 C ATOM 954 OE1 GLN A 63 80.512 3.156 11.431 1.00 0.00 O ATOM 955 NE2 GLN A 63 82.007 3.105 9.823 1.00 0.00 N ATOM 0 H GLN A 63 76.671 0.696 8.755 1.00 0.00 H new ATOM 0 HA GLN A 63 78.912 -0.936 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 63 78.295 1.944 10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 63 79.211 0.854 11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.916 0.573 9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 63 79.995 1.645 8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 63 82.359 2.672 8.969 1.00 0.00 H new ATOM 0 HE22 GLN A 63 82.492 3.907 10.226 1.00 0.00 H new ATOM 964 N LYS A 64 77.243 -1.837 11.363 1.00 0.00 N ATOM 965 CA LYS A 64 76.298 -2.412 12.325 1.00 0.00 C ATOM 966 C LYS A 64 76.131 -1.535 13.565 1.00 0.00 C ATOM 967 O LYS A 64 77.115 -1.040 14.119 1.00 0.00 O ATOM 968 CB LYS A 64 76.796 -3.791 12.788 1.00 0.00 C ATOM 969 CG LYS A 64 76.704 -4.882 11.679 1.00 0.00 C ATOM 970 CD LYS A 64 75.240 -5.313 11.350 1.00 0.00 C ATOM 971 CE LYS A 64 75.200 -6.765 10.839 1.00 0.00 C ATOM 972 NZ LYS A 64 73.826 -7.073 10.343 1.00 0.00 N ATOM 0 H LYS A 64 77.974 -2.482 11.063 1.00 0.00 H new ATOM 0 HA LYS A 64 75.338 -2.489 11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.831 -3.704 13.118 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.212 -4.110 13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.177 -4.507 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.270 -5.758 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 64 74.619 -5.219 12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 64 74.820 -4.646 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 64 75.928 -6.902 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 64 75.473 -7.453 11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 73.883 -7.765 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 73.257 -7.468 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 73.379 -6.201 9.996 1.00 0.00 H new ATOM 986 N ASP A 65 74.856 -1.371 13.968 1.00 0.00 N ATOM 987 CA ASP A 65 74.462 -0.571 15.140 1.00 0.00 C ATOM 988 C ASP A 65 73.737 -1.460 16.169 1.00 0.00 C ATOM 989 O ASP A 65 72.876 -1.000 16.917 1.00 0.00 O ATOM 990 CB ASP A 65 73.526 0.585 14.710 1.00 0.00 C ATOM 991 CG ASP A 65 73.717 0.956 13.221 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.756 1.530 12.943 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.858 0.667 12.380 1.00 0.00 O ATOM 0 H ASP A 65 74.065 -1.795 13.483 1.00 0.00 H new ATOM 0 HA ASP A 65 75.362 -0.155 15.592 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.489 0.296 14.882 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.721 1.460 15.330 1.00 0.00 H new ATOM 998 N LEU A 66 74.100 -2.743 16.225 1.00 0.00 N ATOM 999 CA LEU A 66 73.462 -3.674 17.171 1.00 0.00 C ATOM 1000 C LEU A 66 73.810 -3.337 18.633 1.00 0.00 C ATOM 1001 O LEU A 66 73.365 -4.029 19.549 1.00 0.00 O ATOM 1002 CB LEU A 66 73.895 -5.137 16.873 1.00 0.00 C ATOM 1003 CG LEU A 66 73.304 -5.661 15.526 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.226 -6.736 14.926 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.925 -6.329 15.737 1.00 0.00 C ATOM 0 H LEU A 66 74.821 -3.161 15.638 1.00 0.00 H new ATOM 0 HA LEU A 66 72.385 -3.571 17.039 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.983 -5.193 16.837 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.569 -5.784 17.687 1.00 0.00 H new ATOM 0 HG LEU A 66 73.210 -4.799 14.866 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.804 -7.094 13.987 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.211 -6.308 14.741 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.317 -7.568 15.624 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.542 -6.683 14.780 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.030 -7.172 16.420 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.230 -5.604 16.160 1.00 0.00 H new ATOM 1017 N ALA A 67 74.584 -2.274 18.853 1.00 0.00 N ATOM 1018 CA ALA A 67 74.955 -1.877 20.200 1.00 0.00 C ATOM 1019 C ALA A 67 73.717 -1.517 21.001 1.00 0.00 C ATOM 1020 O ALA A 67 73.538 -1.998 22.120 1.00 0.00 O ATOM 1021 CB ALA A 67 75.893 -0.672 20.146 1.00 0.00 C ATOM 0 H ALA A 67 74.962 -1.679 18.116 1.00 0.00 H new ATOM 0 HA ALA A 67 75.462 -2.712 20.683 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.168 -0.379 21.159 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.792 -0.935 19.588 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.390 0.159 19.652 1.00 0.00 H new ATOM 1027 N ILE A 68 72.888 -0.630 20.444 1.00 0.00 N ATOM 1028 CA ILE A 68 71.694 -0.189 21.159 1.00 0.00 C ATOM 1029 C ILE A 68 70.782 -1.371 21.517 1.00 0.00 C ATOM 1030 O ILE A 68 70.489 -1.565 22.695 1.00 0.00 O ATOM 1031 CB ILE A 68 70.915 0.905 20.370 1.00 0.00 C ATOM 1032 CG1 ILE A 68 70.995 0.659 18.836 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.499 2.303 20.687 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.778 1.275 18.120 1.00 0.00 C ATOM 0 H ILE A 68 73.019 -0.213 19.522 1.00 0.00 H new ATOM 0 HA ILE A 68 72.032 0.263 22.092 1.00 0.00 H new ATOM 0 HB ILE A 68 69.871 0.857 20.679 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.913 1.093 18.441 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.037 -0.412 18.636 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.948 3.062 20.131 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.411 2.500 21.755 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.550 2.332 20.398 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.855 1.091 17.048 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.863 0.821 18.501 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.754 2.349 18.303 1.00 0.00 H new ATOM 1046 N HIS A 69 70.364 -2.164 20.529 1.00 0.00 N ATOM 1047 CA HIS A 69 69.510 -3.324 20.781 1.00 0.00 C ATOM 1048 C HIS A 69 70.161 -4.281 21.782 1.00 0.00 C ATOM 1049 O HIS A 69 69.474 -4.829 22.649 1.00 0.00 O ATOM 1050 CB HIS A 69 69.260 -4.069 19.470 1.00 0.00 C ATOM 1051 CG HIS A 69 67.956 -4.819 19.552 1.00 0.00 C ATOM 1052 ND1 HIS A 69 67.903 -6.193 19.719 1.00 0.00 N ATOM 1053 CD2 HIS A 69 66.651 -4.392 19.500 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.603 -6.545 19.757 1.00 0.00 C ATOM 1055 NE2 HIS A 69 65.799 -5.486 19.630 1.00 0.00 N ATOM 0 H HIS A 69 70.603 -2.024 19.547 1.00 0.00 H new ATOM 0 HA HIS A 69 68.568 -2.968 21.199 1.00 0.00 H new ATOM 0 HB2 HIS A 69 69.233 -3.364 18.639 1.00 0.00 H new ATOM 0 HB3 HIS A 69 70.078 -4.762 19.273 1.00 0.00 H new ATOM 0 HD2 HIS A 69 66.335 -3.367 19.377 1.00 0.00 H new ATOM 0 HE1 HIS A 69 66.254 -7.560 19.876 1.00 0.00 H new ATOM 0 HE2 HIS A 69 64.779 -5.480 19.629 1.00 0.00 H new ATOM 1063 N HIS A 70 71.480 -4.475 21.640 1.00 0.00 N ATOM 1064 CA HIS A 70 72.248 -5.368 22.524 1.00 0.00 C ATOM 1065 C HIS A 70 73.687 -4.882 22.665 1.00 0.00 C ATOM 1066 O HIS A 70 74.485 -4.987 21.735 1.00 0.00 O ATOM 1067 CB HIS A 70 72.239 -6.798 21.970 1.00 0.00 C ATOM 1068 CG HIS A 70 70.876 -7.407 22.163 1.00 0.00 C ATOM 1069 ND1 HIS A 70 70.337 -7.617 23.423 1.00 0.00 N ATOM 1070 CD2 HIS A 70 69.931 -7.851 21.273 1.00 0.00 C ATOM 1071 CE1 HIS A 70 69.117 -8.164 23.254 1.00 0.00 C ATOM 1072 NE2 HIS A 70 68.826 -8.329 21.961 1.00 0.00 N ATOM 0 H HIS A 70 72.041 -4.023 20.918 1.00 0.00 H new ATOM 0 HA HIS A 70 71.777 -5.360 23.507 1.00 0.00 H new ATOM 0 HB2 HIS A 70 72.498 -6.790 20.911 1.00 0.00 H new ATOM 0 HB3 HIS A 70 72.992 -7.400 22.478 1.00 0.00 H new ATOM 0 HD2 HIS A 70 70.032 -7.831 20.198 1.00 0.00 H new ATOM 0 HE1 HIS A 70 68.456 -8.435 24.064 1.00 0.00 H new ATOM 0 HE2 HIS A 70 67.973 -8.723 21.564 1.00 0.00 H new ATOM 1080 N GLN A 71 74.007 -4.355 23.842 1.00 0.00 N ATOM 1081 CA GLN A 71 75.352 -3.854 24.109 1.00 0.00 C ATOM 1082 C GLN A 71 76.357 -5.000 24.084 1.00 0.00 C ATOM 1083 O GLN A 71 77.467 -4.852 23.571 1.00 0.00 O ATOM 1084 CB GLN A 71 75.396 -3.159 25.486 1.00 0.00 C ATOM 1085 CG GLN A 71 74.570 -1.857 25.476 1.00 0.00 C ATOM 1086 CD GLN A 71 74.522 -1.259 26.878 1.00 0.00 C ATOM 1087 OE1 GLN A 71 73.990 -1.873 27.805 1.00 0.00 O ATOM 1088 NE2 GLN A 71 75.038 -0.077 27.087 1.00 0.00 N ATOM 0 H GLN A 71 73.358 -4.264 24.623 1.00 0.00 H new ATOM 0 HA GLN A 71 75.613 -3.133 23.334 1.00 0.00 H new ATOM 0 HB2 GLN A 71 75.009 -3.833 26.250 1.00 0.00 H new ATOM 0 HB3 GLN A 71 76.429 -2.936 25.752 1.00 0.00 H new ATOM 0 HG2 GLN A 71 75.011 -1.142 24.782 1.00 0.00 H new ATOM 0 HG3 GLN A 71 73.559 -2.061 25.124 1.00 0.00 H new ATOM 0 HE21 GLN A 71 75.478 0.430 26.319 1.00 0.00 H new ATOM 0 HE22 GLN A 71 75.001 0.338 28.018 1.00 0.00 H new ATOM 1097 N HIS A 72 75.958 -6.142 24.637 1.00 0.00 N ATOM 1098 CA HIS A 72 76.826 -7.315 24.673 1.00 0.00 C ATOM 1099 C HIS A 72 76.954 -7.927 23.282 1.00 0.00 C ATOM 1100 O HIS A 72 75.991 -7.956 22.515 1.00 0.00 O ATOM 1101 CB HIS A 72 76.254 -8.355 25.636 1.00 0.00 C ATOM 1102 CG HIS A 72 76.285 -7.810 27.037 1.00 0.00 C ATOM 1103 ND1 HIS A 72 75.258 -7.039 27.550 1.00 0.00 N ATOM 1104 CD2 HIS A 72 77.214 -7.914 28.043 1.00 0.00 C ATOM 1105 CE1 HIS A 72 75.587 -6.712 28.813 1.00 0.00 C ATOM 1106 NE2 HIS A 72 76.772 -7.218 29.164 1.00 0.00 N ATOM 0 H HIS A 72 75.042 -6.280 25.065 1.00 0.00 H new ATOM 0 HA HIS A 72 77.813 -7.005 25.015 1.00 0.00 H new ATOM 0 HB2 HIS A 72 75.231 -8.604 25.354 1.00 0.00 H new ATOM 0 HB3 HIS A 72 76.834 -9.276 25.580 1.00 0.00 H new ATOM 0 HD2 HIS A 72 78.147 -8.454 27.974 1.00 0.00 H new ATOM 0 HE1 HIS A 72 74.968 -6.113 29.464 1.00 0.00 H new ATOM 0 HE2 HIS A 72 77.250 -7.116 30.060 1.00 0.00 H new ATOM 1114 N HIS A 73 78.150 -8.415 22.965 1.00 0.00 N ATOM 1115 CA HIS A 73 78.403 -9.028 21.664 1.00 0.00 C ATOM 1116 C HIS A 73 77.701 -10.377 21.559 1.00 0.00 C ATOM 1117 O HIS A 73 77.591 -11.109 22.541 1.00 0.00 O ATOM 1118 CB HIS A 73 79.906 -9.218 21.460 1.00 0.00 C ATOM 1119 CG HIS A 73 80.558 -7.879 21.248 1.00 0.00 C ATOM 1120 ND1 HIS A 73 81.065 -7.126 22.296 1.00 0.00 N ATOM 1121 CD2 HIS A 73 80.796 -7.147 20.111 1.00 0.00 C ATOM 1122 CE1 HIS A 73 81.570 -5.996 21.777 1.00 0.00 C ATOM 1123 NE2 HIS A 73 81.433 -5.957 20.447 1.00 0.00 N ATOM 0 H HIS A 73 78.957 -8.398 23.589 1.00 0.00 H new ATOM 0 HA HIS A 73 78.011 -8.367 20.891 1.00 0.00 H new ATOM 0 HB2 HIS A 73 80.342 -9.713 22.328 1.00 0.00 H new ATOM 0 HB3 HIS A 73 80.088 -9.863 20.600 1.00 0.00 H new ATOM 0 HD2 HIS A 73 80.529 -7.449 19.109 1.00 0.00 H new ATOM 0 HE1 HIS A 73 82.031 -5.214 22.362 1.00 0.00 H new ATOM 0 HE2 HIS A 73 81.732 -5.214 19.815 1.00 0.00 H new ATOM 1131 N HIS A 74 77.224 -10.697 20.359 1.00 0.00 N ATOM 1132 CA HIS A 74 76.534 -11.962 20.135 1.00 0.00 C ATOM 1133 C HIS A 74 77.490 -13.136 20.318 1.00 0.00 C ATOM 1134 O HIS A 74 77.127 -14.161 20.896 1.00 0.00 O ATOM 1135 CB HIS A 74 75.947 -11.994 18.722 1.00 0.00 C ATOM 1136 CG HIS A 74 74.864 -10.957 18.606 1.00 0.00 C ATOM 1137 ND1 HIS A 74 73.683 -11.040 19.327 1.00 0.00 N ATOM 1138 CD2 HIS A 74 74.771 -9.809 17.857 1.00 0.00 C ATOM 1139 CE1 HIS A 74 72.937 -9.970 19.000 1.00 0.00 C ATOM 1140 NE2 HIS A 74 73.550 -9.189 18.110 1.00 0.00 N ATOM 0 H HIS A 74 77.302 -10.103 19.534 1.00 0.00 H new ATOM 0 HA HIS A 74 75.729 -12.048 20.865 1.00 0.00 H new ATOM 0 HB2 HIS A 74 76.729 -11.802 17.987 1.00 0.00 H new ATOM 0 HB3 HIS A 74 75.543 -12.983 18.507 1.00 0.00 H new ATOM 0 HD1 HIS A 74 73.427 -11.777 19.984 1.00 0.00 H new ATOM 0 HD2 HIS A 74 75.527 -9.444 17.178 1.00 0.00 H new ATOM 0 HE1 HIS A 74 71.958 -9.767 19.409 1.00 0.00 H new ATOM 1148 N GLY A 75 78.714 -12.979 19.823 1.00 0.00 N ATOM 1149 CA GLY A 75 79.715 -14.034 19.940 1.00 0.00 C ATOM 1150 C GLY A 75 81.075 -13.553 19.447 1.00 0.00 C ATOM 1151 O GLY A 75 81.217 -12.413 19.001 1.00 0.00 O ATOM 0 H GLY A 75 79.035 -12.139 19.341 1.00 0.00 H new ATOM 0 HA2 GLY A 75 79.793 -14.353 20.979 1.00 0.00 H new ATOM 0 HA3 GLY A 75 79.401 -14.904 19.362 1.00 0.00 H new ATOM 1155 N GLY A 76 82.073 -14.427 19.532 1.00 0.00 N ATOM 1156 CA GLY A 76 83.421 -14.081 19.095 1.00 0.00 C ATOM 1157 C GLY A 76 84.319 -15.313 19.077 1.00 0.00 C ATOM 1158 O GLY A 76 83.834 -16.445 19.106 1.00 0.00 O ATOM 0 H GLY A 76 81.975 -15.374 19.897 1.00 0.00 H new ATOM 0 HA2 GLY A 76 83.383 -13.639 18.099 1.00 0.00 H new ATOM 0 HA3 GLY A 76 83.842 -13.329 19.762 1.00 0.00 H new ATOM 1162 N SER A 77 85.628 -15.085 19.024 1.00 0.00 N ATOM 1163 CA SER A 77 86.589 -16.182 19.003 1.00 0.00 C ATOM 1164 C SER A 77 86.471 -17.026 20.268 1.00 0.00 C ATOM 1165 O SER A 77 86.501 -18.257 20.212 1.00 0.00 O ATOM 1166 CB SER A 77 88.011 -15.631 18.887 1.00 0.00 C ATOM 1167 OG SER A 77 88.942 -16.660 19.201 1.00 0.00 O ATOM 0 H SER A 77 86.046 -14.155 18.995 1.00 0.00 H new ATOM 0 HA SER A 77 86.371 -16.811 18.140 1.00 0.00 H new ATOM 0 HB2 SER A 77 88.188 -15.260 17.877 1.00 0.00 H new ATOM 0 HB3 SER A 77 88.142 -14.787 19.564 1.00 0.00 H new ATOM 0 HG SER A 77 89.854 -16.310 19.126 1.00 0.00 H new ATOM 1173 N MET A 78 86.339 -16.354 21.406 1.00 0.00 N ATOM 1174 CA MET A 78 86.219 -17.048 22.684 1.00 0.00 C ATOM 1175 C MET A 78 84.928 -17.863 22.719 1.00 0.00 C ATOM 1176 O MET A 78 84.909 -18.988 23.220 1.00 0.00 O ATOM 1177 CB MET A 78 86.215 -16.026 23.835 1.00 0.00 C ATOM 1178 CG MET A 78 87.627 -15.450 24.058 1.00 0.00 C ATOM 1179 SD MET A 78 87.539 -14.042 25.205 1.00 0.00 S ATOM 1180 CE MET A 78 87.888 -14.912 26.760 1.00 0.00 C ATOM 0 H MET A 78 86.312 -15.336 21.471 1.00 0.00 H new ATOM 0 HA MET A 78 87.069 -17.720 22.801 1.00 0.00 H new ATOM 0 HB2 MET A 78 85.519 -15.218 23.608 1.00 0.00 H new ATOM 0 HB3 MET A 78 85.863 -16.503 24.750 1.00 0.00 H new ATOM 0 HG2 MET A 78 88.285 -16.220 24.461 1.00 0.00 H new ATOM 0 HG3 MET A 78 88.055 -15.131 23.107 1.00 0.00 H new ATOM 0 HE1 MET A 78 87.876 -14.201 27.586 1.00 0.00 H new ATOM 0 HE2 MET A 78 87.129 -15.676 26.928 1.00 0.00 H new ATOM 0 HE3 MET A 78 88.869 -15.383 26.701 1.00 0.00 H new ATOM 1190 N GLY A 79 83.855 -17.284 22.184 1.00 0.00 N ATOM 1191 CA GLY A 79 82.560 -17.957 22.154 1.00 0.00 C ATOM 1192 C GLY A 79 81.918 -17.970 23.536 1.00 0.00 C ATOM 1193 O GLY A 79 82.473 -17.436 24.496 1.00 0.00 O ATOM 0 H GLY A 79 83.857 -16.353 21.767 1.00 0.00 H new ATOM 0 HA2 GLY A 79 81.901 -17.453 21.448 1.00 0.00 H new ATOM 0 HA3 GLY A 79 82.686 -18.980 21.798 1.00 0.00 H new ATOM 1197 N MET A 80 80.743 -18.584 23.627 1.00 0.00 N ATOM 1198 CA MET A 80 80.025 -18.662 24.895 1.00 0.00 C ATOM 1199 C MET A 80 80.822 -19.478 25.909 1.00 0.00 C ATOM 1200 O MET A 80 80.890 -19.122 27.088 1.00 0.00 O ATOM 1201 CB MET A 80 78.653 -19.319 24.683 1.00 0.00 C ATOM 1202 CG MET A 80 77.681 -18.338 24.005 1.00 0.00 C ATOM 1203 SD MET A 80 76.217 -19.241 23.417 1.00 0.00 S ATOM 1204 CE MET A 80 75.134 -19.009 24.857 1.00 0.00 C ATOM 0 H MET A 80 80.269 -19.033 22.843 1.00 0.00 H new ATOM 0 HA MET A 80 79.890 -17.650 25.276 1.00 0.00 H new ATOM 0 HB2 MET A 80 78.763 -20.213 24.069 1.00 0.00 H new ATOM 0 HB3 MET A 80 78.245 -19.639 25.642 1.00 0.00 H new ATOM 0 HG2 MET A 80 77.383 -17.560 24.708 1.00 0.00 H new ATOM 0 HG3 MET A 80 78.174 -17.840 23.170 1.00 0.00 H new ATOM 0 HE1 MET A 80 74.178 -19.501 24.676 1.00 0.00 H new ATOM 0 HE2 MET A 80 75.604 -19.443 25.740 1.00 0.00 H new ATOM 0 HE3 MET A 80 74.969 -17.944 25.020 1.00 0.00 H new ATOM 1214 N SER A 81 81.424 -20.569 25.443 1.00 0.00 N ATOM 1215 CA SER A 81 82.214 -21.431 26.318 1.00 0.00 C ATOM 1216 C SER A 81 83.514 -20.742 26.718 1.00 0.00 C ATOM 1217 O SER A 81 84.082 -19.971 25.946 1.00 0.00 O ATOM 1218 CB SER A 81 82.529 -22.745 25.606 1.00 0.00 C ATOM 1219 OG SER A 81 81.372 -23.571 25.604 1.00 0.00 O ATOM 0 H SER A 81 81.381 -20.876 24.471 1.00 0.00 H new ATOM 0 HA SER A 81 81.634 -21.635 27.218 1.00 0.00 H new ATOM 0 HB2 SER A 81 82.851 -22.549 24.583 1.00 0.00 H new ATOM 0 HB3 SER A 81 83.352 -23.255 26.107 1.00 0.00 H new ATOM 0 HG SER A 81 81.573 -24.414 25.146 1.00 0.00 H new ATOM 1225 N GLY A 82 83.979 -21.029 27.931 1.00 0.00 N ATOM 1226 CA GLY A 82 85.216 -20.431 28.424 1.00 0.00 C ATOM 1227 C GLY A 82 86.414 -20.936 27.628 1.00 0.00 C ATOM 1228 O GLY A 82 86.270 -21.801 26.764 1.00 0.00 O ATOM 0 H GLY A 82 83.523 -21.665 28.585 1.00 0.00 H new ATOM 0 HA2 GLY A 82 85.156 -19.345 28.350 1.00 0.00 H new ATOM 0 HA3 GLY A 82 85.347 -20.672 29.479 1.00 0.00 H new ATOM 1232 N SER A 83 87.590 -20.377 27.925 1.00 0.00 N ATOM 1233 CA SER A 83 88.824 -20.762 27.237 1.00 0.00 C ATOM 1234 C SER A 83 90.046 -20.372 28.063 1.00 0.00 C ATOM 1235 O SER A 83 89.960 -19.532 28.957 1.00 0.00 O ATOM 1236 CB SER A 83 88.890 -20.077 25.871 1.00 0.00 C ATOM 1237 OG SER A 83 88.724 -18.676 26.043 1.00 0.00 O ATOM 0 H SER A 83 87.713 -19.657 28.637 1.00 0.00 H new ATOM 0 HA SER A 83 88.822 -21.844 27.105 1.00 0.00 H new ATOM 0 HB2 SER A 83 89.846 -20.286 25.392 1.00 0.00 H new ATOM 0 HB3 SER A 83 88.113 -20.470 25.216 1.00 0.00 H new ATOM 0 HG SER A 83 88.767 -18.232 25.170 1.00 0.00 H new ATOM 1243 N GLY A 84 91.182 -20.989 27.751 1.00 0.00 N ATOM 1244 CA GLY A 84 92.421 -20.704 28.467 1.00 0.00 C ATOM 1245 C GLY A 84 92.377 -21.265 29.883 1.00 0.00 C ATOM 1246 O GLY A 84 93.122 -20.820 30.758 1.00 0.00 O ATOM 0 H GLY A 84 91.270 -21.686 27.011 1.00 0.00 H new ATOM 0 HA2 GLY A 84 93.264 -21.136 27.927 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.584 -19.627 28.504 1.00 0.00 H new ATOM 1250 N THR A 85 91.501 -22.248 30.094 1.00 0.00 N ATOM 1251 CA THR A 85 91.351 -22.880 31.405 1.00 0.00 C ATOM 1252 C THR A 85 92.495 -23.853 31.664 1.00 0.00 C ATOM 1253 O THR A 85 93.228 -24.224 30.746 1.00 0.00 O ATOM 1254 CB THR A 85 90.021 -23.643 31.474 1.00 0.00 C ATOM 1255 OG1 THR A 85 90.154 -24.878 30.786 1.00 0.00 O ATOM 1256 CG2 THR A 85 88.895 -22.823 30.829 1.00 0.00 C ATOM 0 H THR A 85 90.884 -22.624 29.374 1.00 0.00 H new ATOM 0 HA THR A 85 91.366 -22.097 32.163 1.00 0.00 H new ATOM 0 HB THR A 85 89.771 -23.821 32.520 1.00 0.00 H new ATOM 0 HG1 THR A 85 89.307 -25.369 30.829 1.00 0.00 H new ATOM 0 HG21 THR A 85 87.960 -23.380 30.887 1.00 0.00 H new ATOM 0 HG22 THR A 85 88.787 -21.876 31.357 1.00 0.00 H new ATOM 0 HG23 THR A 85 89.138 -22.630 29.784 1.00 0.00 H new ATOM 1264 N GLY A 86 92.641 -24.262 32.921 1.00 0.00 N ATOM 1265 CA GLY A 86 93.697 -25.195 33.299 1.00 0.00 C ATOM 1266 C GLY A 86 95.064 -24.517 33.258 1.00 0.00 C ATOM 1267 O GLY A 86 96.095 -25.188 33.177 1.00 0.00 O ATOM 0 H GLY A 86 92.044 -23.963 33.692 1.00 0.00 H new ATOM 0 HA2 GLY A 86 93.507 -25.579 34.301 1.00 0.00 H new ATOM 0 HA3 GLY A 86 93.691 -26.051 32.624 1.00 0.00 H new ATOM 1271 N TYR A 87 95.058 -23.184 33.311 1.00 0.00 N ATOM 1272 CA TYR A 87 96.298 -22.404 33.276 1.00 0.00 C ATOM 1273 C TYR A 87 96.043 -20.977 33.753 1.00 0.00 C ATOM 1274 O TYR A 87 95.085 -20.381 33.288 1.00 0.00 O ATOM 1275 CB TYR A 87 96.855 -22.370 31.848 1.00 0.00 C ATOM 1276 CG TYR A 87 98.077 -21.447 31.794 1.00 0.00 C ATOM 1277 CD1 TYR A 87 99.305 -21.918 32.274 1.00 0.00 C ATOM 1278 CD2 TYR A 87 97.981 -20.152 31.272 1.00 0.00 C ATOM 1279 CE1 TYR A 87 100.438 -21.095 32.234 1.00 0.00 C ATOM 1280 CE2 TYR A 87 99.116 -19.330 31.224 1.00 0.00 C ATOM 1281 CZ TYR A 87 100.342 -19.803 31.704 1.00 0.00 C ATOM 1282 OH TYR A 87 101.457 -18.993 31.657 1.00 0.00 O ATOM 1283 OXT TYR A 87 96.809 -20.503 34.574 1.00 0.00 O ATOM 0 H TYR A 87 94.210 -22.622 33.378 1.00 0.00 H new ATOM 0 HA TYR A 87 97.022 -22.877 33.939 1.00 0.00 H new ATOM 0 HB2 TYR A 87 97.132 -23.375 31.531 1.00 0.00 H new ATOM 0 HB3 TYR A 87 96.090 -22.017 31.157 1.00 0.00 H new ATOM 0 HD1 TYR A 87 99.379 -22.918 32.676 1.00 0.00 H new ATOM 0 HD2 TYR A 87 97.033 -19.786 30.906 1.00 0.00 H new ATOM 0 HE1 TYR A 87 101.383 -21.457 32.611 1.00 0.00 H new ATOM 0 HE2 TYR A 87 99.044 -18.332 30.817 1.00 0.00 H new ATOM 0 HH TYR A 87 101.218 -18.130 31.259 1.00 0.00 H new TER 1293 TYR A 87 HETATM 1294 ZN ZN A 101 71.321 -0.500 12.972 1.00 0.00 ZN HETATM 1295 ZN ZN A 102 60.812 7.183 14.748 1.00 0.00 ZN