USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= -2.76! C(o=-2.8!,f=-2.7!) USER MOD Set 2.1: A 20 GLN : amide:sc= -3.67! C(o=-4.3!,f=-6.8!) USER MOD Set 2.2: A 24 TYR OH : rot 70:sc= -0.648 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.104! C(o=-0.1!,f=-6.2!) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.111 F(o=-0.62,f=-0.11) USER MOD Single : A 9 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.097) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 99:sc= -2.2! USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 141:sc= -0.268 (180deg=-1.79!) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.0729 (180deg=-0.163) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.553 F(o=-3.1,f=-0.55) USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.116) USER MOD Single : A 52 MET CE :methyl -178:sc= -1.76 (180deg=-1.91) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.258 K(o=0.26,f=-1.7!) USER MOD Single : A 59 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.5!) USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.469 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 66 ASN : amide:sc= -0.0179 K(o=-0.018,f=-2!) USER MOD Single : A 73 SER OG : rot -124:sc= -1.69! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -82:sc= 0.926 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -102:sc= -5.9! (180deg=-7.87!) USER MOD Single : A 83 SER OG : rot -130:sc=-0.00151 USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.163) USER MOD Single : A 87 THR OG1 : rot -21:sc= 1.1 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.125 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= 0.815 (180deg=0.579) USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00611 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.749 -10.070 13.284 1.00 0.00 N ATOM 2 CA MET A 1 -5.783 -11.097 13.601 1.00 0.00 C ATOM 3 C MET A 1 -7.137 -10.685 13.015 1.00 0.00 C ATOM 4 O MET A 1 -7.511 -9.530 13.046 1.00 0.00 O ATOM 5 CB MET A 1 -5.849 -11.134 15.128 1.00 0.00 C ATOM 6 CG MET A 1 -5.986 -12.584 15.598 1.00 0.00 C ATOM 7 SD MET A 1 -5.259 -12.756 17.247 1.00 0.00 S ATOM 8 CE MET A 1 -4.352 -14.290 16.937 1.00 0.00 C ATOM 0 H1 MET A 1 -3.836 -10.361 13.687 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.658 -9.976 12.252 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.031 -9.156 13.691 1.00 0.00 H new ATOM 0 HA MET A 1 -5.539 -12.072 13.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.950 -10.686 15.552 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.696 -10.545 15.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.037 -12.872 15.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.487 -13.253 14.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.819 -14.586 17.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.052 -15.076 16.654 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.637 -14.133 16.129 1.00 0.00 H new ATOM 20 N ALA A 2 -7.873 -11.621 12.481 1.00 0.00 N ATOM 21 CA ALA A 2 -9.200 -11.282 11.894 1.00 0.00 C ATOM 22 C ALA A 2 -10.239 -12.334 12.292 1.00 0.00 C ATOM 23 O ALA A 2 -9.938 -13.506 12.404 1.00 0.00 O ATOM 24 CB ALA A 2 -8.979 -11.294 10.381 1.00 0.00 C ATOM 0 H ALA A 2 -7.613 -12.606 12.426 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.572 -10.319 12.244 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.914 -11.053 9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.222 -10.555 10.118 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.643 -12.283 10.070 1.00 0.00 H new ATOM 30 N GLU A 3 -11.459 -11.925 12.506 1.00 0.00 N ATOM 31 CA GLU A 3 -12.516 -12.903 12.896 1.00 0.00 C ATOM 32 C GLU A 3 -13.521 -13.078 11.754 1.00 0.00 C ATOM 33 O GLU A 3 -13.928 -14.178 11.438 1.00 0.00 O ATOM 34 CB GLU A 3 -13.195 -12.284 14.119 1.00 0.00 C ATOM 35 CG GLU A 3 -14.049 -13.343 14.820 1.00 0.00 C ATOM 36 CD GLU A 3 -14.803 -12.701 15.985 1.00 0.00 C ATOM 37 OE1 GLU A 3 -14.477 -11.576 16.329 1.00 0.00 O ATOM 38 OE2 GLU A 3 -15.693 -13.345 16.515 1.00 0.00 O ATOM 0 H GLU A 3 -11.771 -10.957 12.428 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.107 -13.890 13.113 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.444 -11.894 14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.817 -11.442 13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.754 -13.782 14.114 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.417 -14.153 15.184 1.00 0.00 H new ATOM 45 N ASN A 4 -13.924 -12.003 11.134 1.00 0.00 N ATOM 46 CA ASN A 4 -14.902 -12.111 10.014 1.00 0.00 C ATOM 47 C ASN A 4 -14.313 -12.947 8.876 1.00 0.00 C ATOM 48 O ASN A 4 -13.579 -13.890 9.100 1.00 0.00 O ATOM 49 CB ASN A 4 -15.137 -10.671 9.555 1.00 0.00 C ATOM 50 CG ASN A 4 -15.587 -9.822 10.746 1.00 0.00 C ATOM 51 OD1 ASN A 4 -14.938 -9.802 11.772 1.00 0.00 O ATOM 52 ND2 ASN A 4 -16.680 -9.115 10.651 1.00 0.00 N ATOM 0 H ASN A 4 -13.619 -11.055 11.354 1.00 0.00 H new ATOM 0 HA ASN A 4 -15.828 -12.599 10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -14.222 -10.261 9.127 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -15.894 -10.647 8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -16.989 -8.546 11.439 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -17.225 -9.132 9.789 1.00 0.00 H new ATOM 59 N GLY A 5 -14.628 -12.611 7.655 1.00 0.00 N ATOM 60 CA GLY A 5 -14.086 -13.388 6.504 1.00 0.00 C ATOM 61 C GLY A 5 -13.644 -12.426 5.400 1.00 0.00 C ATOM 62 O GLY A 5 -12.473 -12.145 5.241 1.00 0.00 O ATOM 0 H GLY A 5 -15.237 -11.832 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.243 -13.998 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.845 -14.071 6.123 1.00 0.00 H new ATOM 66 N ASP A 6 -14.572 -11.919 4.635 1.00 0.00 N ATOM 67 CA ASP A 6 -14.203 -10.974 3.542 1.00 0.00 C ATOM 68 C ASP A 6 -15.133 -9.758 3.556 1.00 0.00 C ATOM 69 O ASP A 6 -15.753 -9.452 4.556 1.00 0.00 O ATOM 70 CB ASP A 6 -14.385 -11.773 2.250 1.00 0.00 C ATOM 71 CG ASP A 6 -15.849 -12.195 2.113 1.00 0.00 C ATOM 72 OD1 ASP A 6 -16.231 -13.156 2.759 1.00 0.00 O ATOM 73 OD2 ASP A 6 -16.564 -11.549 1.364 1.00 0.00 O ATOM 0 H ASP A 6 -15.569 -12.118 4.719 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.186 -10.596 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.087 -11.170 1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.741 -12.653 2.260 1.00 0.00 H new ATOM 78 N ASN A 7 -15.233 -9.063 2.457 1.00 0.00 N ATOM 79 CA ASN A 7 -16.123 -7.867 2.409 1.00 0.00 C ATOM 80 C ASN A 7 -15.669 -6.830 3.440 1.00 0.00 C ATOM 81 O ASN A 7 -14.965 -5.892 3.121 1.00 0.00 O ATOM 82 CB ASN A 7 -17.516 -8.394 2.756 1.00 0.00 C ATOM 83 CG ASN A 7 -18.444 -8.218 1.552 1.00 0.00 C ATOM 84 OD1 ASN A 7 -17.963 -8.356 0.347 1.00 0.00 O flip ATOM 85 ND2 ASN A 7 -19.618 -7.952 1.710 1.00 0.00 N flip ATOM 0 H ASN A 7 -14.738 -9.271 1.590 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.105 -7.377 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -17.459 -9.446 3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -17.915 -7.858 3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -19.994 -7.844 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -20.228 -7.836 0.901 1.00 0.00 H new ATOM 92 N GLU A 8 -16.066 -6.989 4.672 1.00 0.00 N ATOM 93 CA GLU A 8 -15.657 -6.010 5.721 1.00 0.00 C ATOM 94 C GLU A 8 -14.142 -6.069 5.942 1.00 0.00 C ATOM 95 O GLU A 8 -13.499 -5.061 6.163 1.00 0.00 O ATOM 96 CB GLU A 8 -16.401 -6.438 6.987 1.00 0.00 C ATOM 97 CG GLU A 8 -16.307 -7.956 7.159 1.00 0.00 C ATOM 98 CD GLU A 8 -17.712 -8.562 7.133 1.00 0.00 C ATOM 99 OE1 GLU A 8 -18.596 -7.931 6.576 1.00 0.00 O ATOM 100 OE2 GLU A 8 -17.879 -9.645 7.669 1.00 0.00 O ATOM 0 H GLU A 8 -16.656 -7.754 4.999 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.897 -4.985 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.975 -5.938 7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.446 -6.134 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.700 -8.386 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.814 -8.196 8.101 1.00 0.00 H new ATOM 107 N LYS A 9 -13.569 -7.239 5.886 1.00 0.00 N ATOM 108 CA LYS A 9 -12.097 -7.360 6.095 1.00 0.00 C ATOM 109 C LYS A 9 -11.341 -6.645 4.971 1.00 0.00 C ATOM 110 O LYS A 9 -10.385 -5.935 5.209 1.00 0.00 O ATOM 111 CB LYS A 9 -11.816 -8.862 6.059 1.00 0.00 C ATOM 112 CG LYS A 9 -10.313 -9.104 6.210 1.00 0.00 C ATOM 113 CD LYS A 9 -9.914 -10.354 5.421 1.00 0.00 C ATOM 114 CE LYS A 9 -8.601 -10.094 4.681 1.00 0.00 C ATOM 115 NZ LYS A 9 -7.557 -10.091 5.742 1.00 0.00 N ATOM 0 H LYS A 9 -14.055 -8.117 5.705 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.774 -6.906 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.358 -9.363 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.171 -9.287 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.757 -8.240 5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.058 -9.229 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.801 -11.202 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.699 -10.614 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.407 -10.867 3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.628 -9.142 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.123 -9.147 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.991 -10.329 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.826 -10.794 5.512 1.00 0.00 H new ATOM 129 N MET A 10 -11.765 -6.825 3.750 1.00 0.00 N ATOM 130 CA MET A 10 -11.070 -6.154 2.614 1.00 0.00 C ATOM 131 C MET A 10 -11.162 -4.635 2.762 1.00 0.00 C ATOM 132 O MET A 10 -10.238 -3.912 2.447 1.00 0.00 O ATOM 133 CB MET A 10 -11.813 -6.619 1.361 1.00 0.00 C ATOM 134 CG MET A 10 -10.970 -7.660 0.622 1.00 0.00 C ATOM 135 SD MET A 10 -9.498 -6.864 -0.066 1.00 0.00 S ATOM 136 CE MET A 10 -10.052 -6.811 -1.788 1.00 0.00 C ATOM 0 H MET A 10 -12.561 -7.407 3.490 1.00 0.00 H new ATOM 0 HA MET A 10 -10.010 -6.405 2.573 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.778 -7.046 1.635 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.014 -5.769 0.709 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.679 -8.459 1.304 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.555 -8.118 -0.175 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.281 -6.349 -2.404 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.239 -7.825 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.970 -6.227 -1.857 1.00 0.00 H new ATOM 146 N ALA A 11 -12.270 -4.148 3.242 1.00 0.00 N ATOM 147 CA ALA A 11 -12.424 -2.675 3.412 1.00 0.00 C ATOM 148 C ALA A 11 -11.336 -2.142 4.347 1.00 0.00 C ATOM 149 O ALA A 11 -10.614 -1.221 4.014 1.00 0.00 O ATOM 150 CB ALA A 11 -13.807 -2.490 4.038 1.00 0.00 C ATOM 0 H ALA A 11 -13.077 -4.705 3.524 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.330 -2.135 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.996 -1.428 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.566 -2.899 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.846 -3.011 4.995 1.00 0.00 H new ATOM 156 N ALA A 12 -11.207 -2.716 5.511 1.00 0.00 N ATOM 157 CA ALA A 12 -10.160 -2.246 6.463 1.00 0.00 C ATOM 158 C ALA A 12 -8.773 -2.647 5.952 1.00 0.00 C ATOM 159 O ALA A 12 -7.800 -1.949 6.156 1.00 0.00 O ATOM 160 CB ALA A 12 -10.473 -2.956 7.779 1.00 0.00 C ATOM 0 H ALA A 12 -11.781 -3.490 5.845 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.159 -1.162 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.744 -2.661 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.473 -2.679 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.426 -4.035 7.631 1.00 0.00 H new ATOM 166 N LEU A 13 -8.679 -3.766 5.288 1.00 0.00 N ATOM 167 CA LEU A 13 -7.357 -4.215 4.762 1.00 0.00 C ATOM 168 C LEU A 13 -6.841 -3.222 3.718 1.00 0.00 C ATOM 169 O LEU A 13 -5.659 -2.952 3.634 1.00 0.00 O ATOM 170 CB LEU A 13 -7.629 -5.576 4.121 1.00 0.00 C ATOM 171 CG LEU A 13 -6.415 -6.002 3.293 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.931 -7.374 3.766 1.00 0.00 C ATOM 173 CD2 LEU A 13 -6.810 -6.083 1.817 1.00 0.00 C ATOM 0 H LEU A 13 -9.460 -4.390 5.086 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.599 -4.277 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.835 -6.318 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.514 -5.521 3.487 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.615 -5.272 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.066 -7.678 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.651 -7.318 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.730 -8.105 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.946 -6.386 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.609 -6.814 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.156 -5.106 1.479 1.00 0.00 H new ATOM 185 N GLU A 14 -7.719 -2.677 2.920 1.00 0.00 N ATOM 186 CA GLU A 14 -7.278 -1.702 1.881 1.00 0.00 C ATOM 187 C GLU A 14 -6.641 -0.477 2.541 1.00 0.00 C ATOM 188 O GLU A 14 -5.593 -0.014 2.134 1.00 0.00 O ATOM 189 CB GLU A 14 -8.557 -1.306 1.144 1.00 0.00 C ATOM 190 CG GLU A 14 -8.206 -0.414 -0.048 1.00 0.00 C ATOM 191 CD GLU A 14 -9.192 0.753 -0.120 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.354 0.542 0.185 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.767 1.839 -0.477 1.00 0.00 O ATOM 0 H GLU A 14 -8.721 -2.864 2.942 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.532 -2.125 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.083 -2.197 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.230 -0.779 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.188 -0.038 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.242 -0.992 -0.971 1.00 0.00 H new ATOM 200 N ALA A 15 -7.265 0.052 3.557 1.00 0.00 N ATOM 201 CA ALA A 15 -6.697 1.247 4.242 1.00 0.00 C ATOM 202 C ALA A 15 -5.447 0.857 5.035 1.00 0.00 C ATOM 203 O ALA A 15 -4.505 1.617 5.143 1.00 0.00 O ATOM 204 CB ALA A 15 -7.802 1.726 5.183 1.00 0.00 C ATOM 0 H ALA A 15 -8.144 -0.292 3.943 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.397 2.023 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.460 2.607 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.690 1.979 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.045 0.934 5.891 1.00 0.00 H new ATOM 210 N LYS A 16 -5.431 -0.324 5.589 1.00 0.00 N ATOM 211 CA LYS A 16 -4.242 -0.763 6.373 1.00 0.00 C ATOM 212 C LYS A 16 -2.987 -0.720 5.498 1.00 0.00 C ATOM 213 O LYS A 16 -1.934 -0.291 5.925 1.00 0.00 O ATOM 214 CB LYS A 16 -4.555 -2.199 6.796 1.00 0.00 C ATOM 215 CG LYS A 16 -5.031 -2.211 8.249 1.00 0.00 C ATOM 216 CD LYS A 16 -3.935 -1.643 9.151 1.00 0.00 C ATOM 217 CE LYS A 16 -3.631 -2.638 10.274 1.00 0.00 C ATOM 218 NZ LYS A 16 -2.144 -2.714 10.328 1.00 0.00 N ATOM 0 H LYS A 16 -6.189 -1.004 5.533 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.051 -0.119 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.323 -2.621 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.668 -2.823 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.941 -1.620 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.276 -3.228 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.034 -1.449 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.254 -0.689 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.044 -2.299 11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.069 -3.614 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.857 -3.378 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.780 -3.046 9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.755 -1.772 10.534 1.00 0.00 H new ATOM 232 N ILE A 17 -3.092 -1.163 4.273 1.00 0.00 N ATOM 233 CA ILE A 17 -1.904 -1.146 3.372 1.00 0.00 C ATOM 234 C ILE A 17 -1.493 0.296 3.067 1.00 0.00 C ATOM 235 O ILE A 17 -0.329 0.643 3.109 1.00 0.00 O ATOM 236 CB ILE A 17 -2.365 -1.852 2.098 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.479 -3.356 2.364 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.350 -1.610 0.980 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.251 -4.020 1.221 1.00 0.00 C ATOM 0 H ILE A 17 -3.947 -1.535 3.859 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.039 -1.635 3.819 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.336 -1.458 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.486 -3.797 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.989 -3.531 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.681 -2.115 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.266 -0.540 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.378 -2.003 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.332 -5.090 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.249 -3.586 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.722 -3.857 0.282 1.00 0.00 H new ATOM 251 N CYS A 18 -2.440 1.140 2.762 1.00 0.00 N ATOM 252 CA CYS A 18 -2.103 2.561 2.457 1.00 0.00 C ATOM 253 C CYS A 18 -1.509 3.237 3.695 1.00 0.00 C ATOM 254 O CYS A 18 -0.585 4.020 3.605 1.00 0.00 O ATOM 255 CB CYS A 18 -3.432 3.212 2.077 1.00 0.00 C ATOM 256 SG CYS A 18 -4.268 2.198 0.831 1.00 0.00 S ATOM 0 H CYS A 18 -3.432 0.908 2.711 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.365 2.649 1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.063 3.316 2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.259 4.216 1.688 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.172 1.462 1.406 1.00 0.00 H new ATOM 262 N HIS A 19 -2.034 2.937 4.852 1.00 0.00 N ATOM 263 CA HIS A 19 -1.501 3.559 6.098 1.00 0.00 C ATOM 264 C HIS A 19 -0.019 3.218 6.265 1.00 0.00 C ATOM 265 O HIS A 19 0.763 4.027 6.722 1.00 0.00 O ATOM 266 CB HIS A 19 -2.325 2.949 7.232 1.00 0.00 C ATOM 267 CG HIS A 19 -2.631 4.009 8.255 1.00 0.00 C ATOM 268 ND1 HIS A 19 -1.774 4.289 9.307 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.695 4.864 8.400 1.00 0.00 C ATOM 270 CE1 HIS A 19 -2.332 5.275 10.033 1.00 0.00 C ATOM 271 NE2 HIS A 19 -3.504 5.662 9.524 1.00 0.00 N ATOM 0 H HIS A 19 -2.809 2.288 4.988 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.577 4.646 6.082 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.251 2.530 6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.776 2.129 7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.550 4.910 7.742 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.886 5.701 10.919 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.126 6.387 9.882 1.00 0.00 H new ATOM 279 N GLN A 20 0.378 2.032 5.894 1.00 0.00 N ATOM 280 CA GLN A 20 1.814 1.661 6.033 1.00 0.00 C ATOM 281 C GLN A 20 2.657 2.575 5.145 1.00 0.00 C ATOM 282 O GLN A 20 3.628 3.161 5.584 1.00 0.00 O ATOM 283 CB GLN A 20 1.901 0.211 5.556 1.00 0.00 C ATOM 284 CG GLN A 20 1.001 -0.668 6.428 1.00 0.00 C ATOM 285 CD GLN A 20 1.787 -1.152 7.648 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.918 -0.760 7.852 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.230 -1.995 8.476 1.00 0.00 N ATOM 0 H GLN A 20 -0.225 1.308 5.503 1.00 0.00 H new ATOM 0 HA GLN A 20 2.182 1.766 7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.594 0.141 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.932 -0.139 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.124 -0.105 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.640 -1.521 5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.280 -2.325 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.745 -2.323 9.293 1.00 0.00 H new ATOM 296 N ILE A 21 2.274 2.732 3.906 1.00 0.00 N ATOM 297 CA ILE A 21 3.043 3.636 3.009 1.00 0.00 C ATOM 298 C ILE A 21 3.063 5.026 3.635 1.00 0.00 C ATOM 299 O ILE A 21 4.038 5.747 3.560 1.00 0.00 O ATOM 300 CB ILE A 21 2.274 3.647 1.689 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.243 2.233 1.104 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.969 4.590 0.705 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.646 1.842 0.639 1.00 0.00 C ATOM 0 H ILE A 21 1.467 2.276 3.480 1.00 0.00 H new ATOM 0 HA ILE A 21 4.074 3.317 2.856 1.00 0.00 H new ATOM 0 HB ILE A 21 1.254 3.989 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.887 1.526 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.546 2.189 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.422 4.600 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.992 5.597 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.988 4.246 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.624 0.835 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.985 2.543 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.331 1.869 1.487 1.00 0.00 H new ATOM 315 N GLU A 22 1.988 5.392 4.274 1.00 0.00 N ATOM 316 CA GLU A 22 1.922 6.719 4.938 1.00 0.00 C ATOM 317 C GLU A 22 2.989 6.801 6.032 1.00 0.00 C ATOM 318 O GLU A 22 3.550 7.843 6.289 1.00 0.00 O ATOM 319 CB GLU A 22 0.521 6.791 5.547 1.00 0.00 C ATOM 320 CG GLU A 22 -0.112 8.144 5.213 1.00 0.00 C ATOM 321 CD GLU A 22 -1.635 8.014 5.235 1.00 0.00 C ATOM 322 OE1 GLU A 22 -2.118 7.012 5.733 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.295 8.921 4.751 1.00 0.00 O ATOM 0 H GLU A 22 1.146 4.823 4.364 1.00 0.00 H new ATOM 0 HA GLU A 22 2.103 7.542 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.098 5.982 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.575 6.660 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.210 8.896 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.221 8.481 4.231 1.00 0.00 H new ATOM 330 N TYR A 23 3.265 5.711 6.693 1.00 0.00 N ATOM 331 CA TYR A 23 4.287 5.742 7.780 1.00 0.00 C ATOM 332 C TYR A 23 5.660 6.161 7.231 1.00 0.00 C ATOM 333 O TYR A 23 6.342 6.973 7.825 1.00 0.00 O ATOM 334 CB TYR A 23 4.330 4.315 8.328 1.00 0.00 C ATOM 335 CG TYR A 23 5.663 4.070 8.993 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.938 4.627 10.247 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.625 3.286 8.351 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.177 4.399 10.857 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.863 3.057 8.958 1.00 0.00 C ATOM 340 CZ TYR A 23 8.141 3.613 10.212 1.00 0.00 C ATOM 341 OH TYR A 23 9.363 3.388 10.812 1.00 0.00 O ATOM 0 H TYR A 23 2.830 4.803 6.530 1.00 0.00 H new ATOM 0 HA TYR A 23 4.035 6.467 8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.522 4.165 9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.178 3.599 7.520 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.195 5.233 10.744 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.411 2.856 7.384 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.390 4.829 11.825 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.605 2.451 8.459 1.00 0.00 H new ATOM 0 HH TYR A 23 9.913 2.822 10.231 1.00 0.00 H new ATOM 351 N TYR A 24 6.083 5.627 6.110 1.00 0.00 N ATOM 352 CA TYR A 24 7.423 6.034 5.574 1.00 0.00 C ATOM 353 C TYR A 24 7.336 7.407 4.902 1.00 0.00 C ATOM 354 O TYR A 24 8.233 8.220 5.006 1.00 0.00 O ATOM 355 CB TYR A 24 7.843 4.997 4.521 1.00 0.00 C ATOM 356 CG TYR A 24 7.201 3.658 4.773 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.821 2.724 5.610 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.996 3.344 4.144 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.229 1.473 5.818 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.403 2.099 4.354 1.00 0.00 C ATOM 361 CZ TYR A 24 6.017 1.161 5.191 1.00 0.00 C ATOM 362 OH TYR A 24 5.431 -0.072 5.394 1.00 0.00 O ATOM 0 H TYR A 24 5.573 4.942 5.553 1.00 0.00 H new ATOM 0 HA TYR A 24 8.144 6.087 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.566 5.353 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.928 4.888 4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.755 2.968 6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.522 4.065 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.707 0.749 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.468 1.859 3.870 1.00 0.00 H new ATOM 0 HH TYR A 24 5.097 -0.128 6.314 1.00 0.00 H new ATOM 372 N PHE A 25 6.277 7.657 4.184 1.00 0.00 N ATOM 373 CA PHE A 25 6.153 8.966 3.472 1.00 0.00 C ATOM 374 C PHE A 25 5.271 9.952 4.247 1.00 0.00 C ATOM 375 O PHE A 25 5.317 11.142 4.013 1.00 0.00 O ATOM 376 CB PHE A 25 5.506 8.620 2.132 1.00 0.00 C ATOM 377 CG PHE A 25 6.571 8.177 1.159 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.088 6.877 1.230 1.00 0.00 C ATOM 379 CD2 PHE A 25 7.042 9.065 0.185 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.077 6.467 0.327 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.030 8.655 -0.717 1.00 0.00 C ATOM 382 CZ PHE A 25 8.547 7.357 -0.646 1.00 0.00 C ATOM 0 H PHE A 25 5.493 7.017 4.058 1.00 0.00 H new ATOM 0 HA PHE A 25 7.123 9.452 3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.768 7.829 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.976 9.487 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.724 6.191 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.643 10.067 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.477 5.465 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.394 9.341 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.310 7.041 -1.343 1.00 0.00 H new ATOM 392 N GLY A 26 4.447 9.469 5.132 1.00 0.00 N ATOM 393 CA GLY A 26 3.530 10.372 5.900 1.00 0.00 C ATOM 394 C GLY A 26 4.300 11.490 6.621 1.00 0.00 C ATOM 395 O GLY A 26 3.998 11.828 7.748 1.00 0.00 O ATOM 0 H GLY A 26 4.365 8.479 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.801 10.813 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.971 9.787 6.630 1.00 0.00 H new ATOM 399 N ASP A 27 5.267 12.087 5.980 1.00 0.00 N ATOM 400 CA ASP A 27 6.023 13.204 6.621 1.00 0.00 C ATOM 401 C ASP A 27 6.786 12.753 7.877 1.00 0.00 C ATOM 402 O ASP A 27 7.663 13.447 8.345 1.00 0.00 O ATOM 403 CB ASP A 27 4.954 14.232 6.994 1.00 0.00 C ATOM 404 CG ASP A 27 3.984 14.408 5.824 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.358 14.068 4.714 1.00 0.00 O ATOM 406 OD2 ASP A 27 2.885 14.882 6.059 1.00 0.00 O ATOM 0 H ASP A 27 5.569 11.849 5.035 1.00 0.00 H new ATOM 0 HA ASP A 27 6.781 13.599 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.414 13.904 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.421 15.186 7.239 1.00 0.00 H new ATOM 411 N PHE A 28 6.468 11.619 8.444 1.00 0.00 N ATOM 412 CA PHE A 28 7.203 11.193 9.672 1.00 0.00 C ATOM 413 C PHE A 28 8.553 10.572 9.309 1.00 0.00 C ATOM 414 O PHE A 28 9.577 10.910 9.871 1.00 0.00 O ATOM 415 CB PHE A 28 6.297 10.155 10.335 1.00 0.00 C ATOM 416 CG PHE A 28 6.934 9.676 11.617 1.00 0.00 C ATOM 417 CD1 PHE A 28 6.920 10.491 12.754 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.539 8.414 11.668 1.00 0.00 C ATOM 419 CE1 PHE A 28 7.511 10.047 13.943 1.00 0.00 C ATOM 420 CE2 PHE A 28 8.131 7.969 12.856 1.00 0.00 C ATOM 421 CZ PHE A 28 8.116 8.785 13.994 1.00 0.00 C ATOM 0 H PHE A 28 5.744 10.979 8.118 1.00 0.00 H new ATOM 0 HA PHE A 28 7.416 12.035 10.331 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.319 10.590 10.543 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.135 9.314 9.661 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.453 11.464 12.714 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.549 7.784 10.791 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.500 10.677 14.820 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.599 6.997 12.895 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.571 8.441 14.911 1.00 0.00 H new ATOM 431 N ASN A 29 8.557 9.649 8.395 1.00 0.00 N ATOM 432 CA ASN A 29 9.830 8.972 8.004 1.00 0.00 C ATOM 433 C ASN A 29 10.700 9.865 7.110 1.00 0.00 C ATOM 434 O ASN A 29 11.911 9.780 7.134 1.00 0.00 O ATOM 435 CB ASN A 29 9.389 7.723 7.244 1.00 0.00 C ATOM 436 CG ASN A 29 9.645 6.486 8.107 1.00 0.00 C ATOM 437 OD1 ASN A 29 8.865 6.173 8.986 1.00 0.00 O ATOM 438 ND2 ASN A 29 10.710 5.763 7.894 1.00 0.00 N ATOM 0 H ASN A 29 7.728 9.328 7.894 1.00 0.00 H new ATOM 0 HA ASN A 29 10.441 8.740 8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.331 7.792 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.936 7.644 6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.888 4.936 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.365 6.024 7.157 1.00 0.00 H new ATOM 445 N LEU A 30 10.103 10.693 6.300 1.00 0.00 N ATOM 446 CA LEU A 30 10.916 11.550 5.384 1.00 0.00 C ATOM 447 C LEU A 30 11.922 12.400 6.170 1.00 0.00 C ATOM 448 O LEU A 30 13.084 12.453 5.820 1.00 0.00 O ATOM 449 CB LEU A 30 9.894 12.442 4.675 1.00 0.00 C ATOM 450 CG LEU A 30 9.546 11.846 3.308 1.00 0.00 C ATOM 451 CD1 LEU A 30 9.485 10.320 3.407 1.00 0.00 C ATOM 452 CD2 LEU A 30 8.185 12.378 2.856 1.00 0.00 C ATOM 0 H LEU A 30 9.093 10.816 6.230 1.00 0.00 H new ATOM 0 HA LEU A 30 11.503 10.955 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.993 12.533 5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.298 13.447 4.552 1.00 0.00 H new ATOM 0 HG LEU A 30 10.312 12.130 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.237 9.902 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.453 9.937 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.721 10.033 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.934 11.956 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.424 12.093 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.226 13.465 2.780 1.00 0.00 H new ATOM 464 N PRO A 31 11.456 13.031 7.212 1.00 0.00 N ATOM 465 CA PRO A 31 12.352 13.869 8.046 1.00 0.00 C ATOM 466 C PRO A 31 13.494 13.015 8.610 1.00 0.00 C ATOM 467 O PRO A 31 14.502 13.524 9.058 1.00 0.00 O ATOM 468 CB PRO A 31 11.452 14.378 9.172 1.00 0.00 C ATOM 469 CG PRO A 31 10.048 14.153 8.704 1.00 0.00 C ATOM 470 CD PRO A 31 10.079 13.028 7.702 1.00 0.00 C ATOM 0 HA PRO A 31 12.814 14.683 7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.646 13.841 10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.634 15.434 9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.400 13.901 9.543 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.645 15.059 8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.821 12.075 8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.367 13.193 6.893 1.00 0.00 H new ATOM 478 N ARG A 32 13.341 11.719 8.582 1.00 0.00 N ATOM 479 CA ARG A 32 14.412 10.822 9.106 1.00 0.00 C ATOM 480 C ARG A 32 14.364 9.479 8.371 1.00 0.00 C ATOM 481 O ARG A 32 14.409 8.425 8.973 1.00 0.00 O ATOM 482 CB ARG A 32 14.088 10.637 10.588 1.00 0.00 C ATOM 483 CG ARG A 32 15.384 10.668 11.402 1.00 0.00 C ATOM 484 CD ARG A 32 15.095 10.233 12.841 1.00 0.00 C ATOM 485 NE ARG A 32 16.416 9.825 13.392 1.00 0.00 N ATOM 486 CZ ARG A 32 16.516 9.447 14.638 1.00 0.00 C ATOM 487 NH1 ARG A 32 15.459 9.426 15.403 1.00 0.00 N ATOM 488 NH2 ARG A 32 17.675 9.089 15.120 1.00 0.00 N ATOM 0 H ARG A 32 12.517 11.240 8.217 1.00 0.00 H new ATOM 0 HA ARG A 32 15.411 11.234 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.415 11.426 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.571 9.690 10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.124 10.006 10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.808 11.672 11.393 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.660 11.048 13.420 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.384 9.408 12.869 1.00 0.00 H new ATOM 0 HE ARG A 32 17.244 9.841 12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.552 9.705 15.028 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.539 9.130 16.376 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.502 9.105 14.523 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.753 8.794 16.093 1.00 0.00 H new ATOM 502 N ASP A 33 14.290 9.516 7.068 1.00 0.00 N ATOM 503 CA ASP A 33 14.259 8.247 6.285 1.00 0.00 C ATOM 504 C ASP A 33 15.634 7.977 5.667 1.00 0.00 C ATOM 505 O ASP A 33 15.954 8.502 4.620 1.00 0.00 O ATOM 506 CB ASP A 33 13.220 8.489 5.189 1.00 0.00 C ATOM 507 CG ASP A 33 12.080 7.478 5.329 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.190 6.603 6.172 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.116 7.596 4.590 1.00 0.00 O ATOM 0 H ASP A 33 14.250 10.370 6.512 1.00 0.00 H new ATOM 0 HA ASP A 33 14.011 7.383 6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.830 9.504 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.684 8.395 4.207 1.00 0.00 H new ATOM 514 N LYS A 34 16.453 7.166 6.282 1.00 0.00 N ATOM 515 CA LYS A 34 17.794 6.886 5.681 1.00 0.00 C ATOM 516 C LYS A 34 17.652 5.935 4.495 1.00 0.00 C ATOM 517 O LYS A 34 18.210 6.146 3.436 1.00 0.00 O ATOM 518 CB LYS A 34 18.636 6.217 6.778 1.00 0.00 C ATOM 519 CG LYS A 34 17.750 5.728 7.927 1.00 0.00 C ATOM 520 CD LYS A 34 18.598 4.933 8.921 1.00 0.00 C ATOM 521 CE LYS A 34 19.498 5.890 9.705 1.00 0.00 C ATOM 522 NZ LYS A 34 18.559 6.799 10.422 1.00 0.00 N ATOM 0 H LYS A 34 16.258 6.690 7.163 1.00 0.00 H new ATOM 0 HA LYS A 34 18.259 7.805 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.188 5.377 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.373 6.924 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.284 6.577 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.944 5.104 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.953 4.381 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.205 4.198 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.135 5.349 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.157 6.448 9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.925 6.993 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.471 7.692 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.625 6.347 10.495 1.00 0.00 H new ATOM 536 N PHE A 35 16.908 4.886 4.678 1.00 0.00 N ATOM 537 CA PHE A 35 16.717 3.897 3.578 1.00 0.00 C ATOM 538 C PHE A 35 15.868 4.505 2.462 1.00 0.00 C ATOM 539 O PHE A 35 16.157 4.344 1.292 1.00 0.00 O ATOM 540 CB PHE A 35 15.995 2.713 4.225 1.00 0.00 C ATOM 541 CG PHE A 35 14.679 3.172 4.806 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.534 3.217 4.002 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.602 3.552 6.153 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.314 3.640 4.542 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.382 3.975 6.693 1.00 0.00 C ATOM 546 CZ PHE A 35 12.238 4.020 5.887 1.00 0.00 C ATOM 0 H PHE A 35 16.419 4.666 5.546 1.00 0.00 H new ATOM 0 HA PHE A 35 17.662 3.595 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.823 1.931 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.617 2.280 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.592 2.925 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.485 3.518 6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.431 3.673 3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.323 4.267 7.731 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.297 4.348 6.303 1.00 0.00 H new ATOM 556 N LEU A 36 14.826 5.209 2.809 1.00 0.00 N ATOM 557 CA LEU A 36 13.972 5.831 1.759 1.00 0.00 C ATOM 558 C LEU A 36 14.807 6.813 0.936 1.00 0.00 C ATOM 559 O LEU A 36 14.662 6.916 -0.265 1.00 0.00 O ATOM 560 CB LEU A 36 12.875 6.568 2.524 1.00 0.00 C ATOM 561 CG LEU A 36 11.536 6.363 1.815 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.685 6.691 0.327 1.00 0.00 C ATOM 563 CD2 LEU A 36 11.095 4.905 1.972 1.00 0.00 C ATOM 0 H LEU A 36 14.530 5.380 3.770 1.00 0.00 H new ATOM 0 HA LEU A 36 13.557 5.098 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.818 6.197 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.109 7.631 2.583 1.00 0.00 H new ATOM 0 HG LEU A 36 10.789 7.022 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.729 6.544 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.999 7.728 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.433 6.034 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.140 4.757 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.845 4.249 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.986 4.670 3.031 1.00 0.00 H new ATOM 575 N LYS A 37 15.690 7.529 1.579 1.00 0.00 N ATOM 576 CA LYS A 37 16.547 8.499 0.841 1.00 0.00 C ATOM 577 C LYS A 37 17.405 7.757 -0.187 1.00 0.00 C ATOM 578 O LYS A 37 17.748 8.286 -1.224 1.00 0.00 O ATOM 579 CB LYS A 37 17.430 9.143 1.911 1.00 0.00 C ATOM 580 CG LYS A 37 17.554 10.643 1.636 1.00 0.00 C ATOM 581 CD LYS A 37 18.769 10.899 0.743 1.00 0.00 C ATOM 582 CE LYS A 37 20.044 10.861 1.589 1.00 0.00 C ATOM 583 NZ LYS A 37 20.852 9.748 1.016 1.00 0.00 N ATOM 0 H LYS A 37 15.854 7.483 2.585 1.00 0.00 H new ATOM 0 HA LYS A 37 15.963 9.241 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.001 8.978 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.417 8.680 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.649 11.011 1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.657 11.188 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.820 10.146 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.675 11.868 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.582 11.808 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.816 10.683 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 21.859 9.909 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.552 8.847 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.710 9.710 -0.014 1.00 0.00 H new ATOM 597 N GLU A 38 17.747 6.530 0.097 1.00 0.00 N ATOM 598 CA GLU A 38 18.577 5.745 -0.860 1.00 0.00 C ATOM 599 C GLU A 38 17.749 5.373 -2.094 1.00 0.00 C ATOM 600 O GLU A 38 18.199 5.494 -3.216 1.00 0.00 O ATOM 601 CB GLU A 38 18.988 4.489 -0.091 1.00 0.00 C ATOM 602 CG GLU A 38 20.507 4.315 -0.174 1.00 0.00 C ATOM 603 CD GLU A 38 21.090 4.245 1.239 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.603 4.965 2.095 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.013 3.474 1.438 1.00 0.00 O ATOM 0 H GLU A 38 17.487 6.037 0.951 1.00 0.00 H new ATOM 0 HA GLU A 38 19.442 6.306 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.677 4.569 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.488 3.615 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.750 3.406 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.950 5.147 -0.721 1.00 0.00 H new ATOM 612 N GLN A 39 16.542 4.919 -1.893 1.00 0.00 N ATOM 613 CA GLN A 39 15.684 4.536 -3.053 1.00 0.00 C ATOM 614 C GLN A 39 15.229 5.783 -3.815 1.00 0.00 C ATOM 615 O GLN A 39 15.195 5.802 -5.030 1.00 0.00 O ATOM 616 CB GLN A 39 14.484 3.817 -2.437 1.00 0.00 C ATOM 617 CG GLN A 39 14.521 2.336 -2.823 1.00 0.00 C ATOM 618 CD GLN A 39 14.564 2.207 -4.346 1.00 0.00 C ATOM 619 OE1 GLN A 39 14.079 3.168 -5.084 1.00 0.00 O flip ATOM 620 NE2 GLN A 39 15.044 1.222 -4.870 1.00 0.00 N flip ATOM 0 H GLN A 39 16.112 4.796 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 39 16.215 3.907 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.502 3.921 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.556 4.271 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.395 1.856 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.643 1.824 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.423 0.471 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.068 1.146 -5.887 1.00 0.00 H new ATOM 629 N ILE A 40 14.881 6.826 -3.113 1.00 0.00 N ATOM 630 CA ILE A 40 14.431 8.066 -3.809 1.00 0.00 C ATOM 631 C ILE A 40 15.611 8.704 -4.546 1.00 0.00 C ATOM 632 O ILE A 40 15.466 9.238 -5.628 1.00 0.00 O ATOM 633 CB ILE A 40 13.913 8.995 -2.709 1.00 0.00 C ATOM 634 CG1 ILE A 40 15.085 9.501 -1.867 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.931 8.236 -1.812 1.00 0.00 C ATOM 636 CD1 ILE A 40 14.588 10.579 -0.902 1.00 0.00 C ATOM 0 H ILE A 40 14.888 6.874 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 40 13.658 7.863 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 40 13.404 9.843 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.530 8.676 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.863 9.907 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.564 8.901 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.091 7.881 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.437 7.385 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.422 10.941 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.163 11.407 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.825 10.158 -0.248 1.00 0.00 H new ATOM 648 N LYS A 41 16.780 8.650 -3.969 1.00 0.00 N ATOM 649 CA LYS A 41 17.970 9.249 -4.637 1.00 0.00 C ATOM 650 C LYS A 41 18.517 8.288 -5.698 1.00 0.00 C ATOM 651 O LYS A 41 19.058 8.702 -6.703 1.00 0.00 O ATOM 652 CB LYS A 41 18.992 9.452 -3.519 1.00 0.00 C ATOM 653 CG LYS A 41 20.009 10.514 -3.942 1.00 0.00 C ATOM 654 CD LYS A 41 20.511 11.262 -2.706 1.00 0.00 C ATOM 655 CE LYS A 41 21.679 12.171 -3.099 1.00 0.00 C ATOM 656 NZ LYS A 41 21.045 13.347 -3.758 1.00 0.00 N ATOM 0 H LYS A 41 16.963 8.217 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 41 17.733 10.184 -5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.488 9.761 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.501 8.513 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.845 10.045 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.551 11.213 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.705 11.854 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.829 10.552 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.257 12.472 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.366 11.662 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.467 13.487 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.023 13.180 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.202 14.196 -3.178 1.00 0.00 H new ATOM 670 N LEU A 42 18.378 7.009 -5.479 1.00 0.00 N ATOM 671 CA LEU A 42 18.889 6.022 -6.475 1.00 0.00 C ATOM 672 C LEU A 42 18.558 6.484 -7.896 1.00 0.00 C ATOM 673 O LEU A 42 19.379 7.067 -8.577 1.00 0.00 O ATOM 674 CB LEU A 42 18.160 4.717 -6.150 1.00 0.00 C ATOM 675 CG LEU A 42 19.173 3.668 -5.687 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.474 2.641 -4.795 1.00 0.00 C ATOM 677 CD2 LEU A 42 19.767 2.961 -6.908 1.00 0.00 C ATOM 0 H LEU A 42 17.933 6.604 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 42 19.972 5.907 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.416 4.888 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.625 4.358 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 42 19.969 4.155 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.196 1.894 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.049 3.143 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.678 2.153 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 42 20.489 2.213 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.970 2.474 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.266 3.692 -7.545 1.00 0.00 H new ATOM 689 N ASP A 43 17.360 6.231 -8.349 1.00 0.00 N ATOM 690 CA ASP A 43 16.978 6.659 -9.726 1.00 0.00 C ATOM 691 C ASP A 43 16.470 8.105 -9.702 1.00 0.00 C ATOM 692 O ASP A 43 17.162 9.005 -9.269 1.00 0.00 O ATOM 693 CB ASP A 43 15.864 5.698 -10.141 1.00 0.00 C ATOM 694 CG ASP A 43 16.274 4.263 -9.804 1.00 0.00 C ATOM 695 OD1 ASP A 43 17.458 4.035 -9.619 1.00 0.00 O ATOM 696 OD2 ASP A 43 15.397 3.418 -9.737 1.00 0.00 O ATOM 0 H ASP A 43 16.630 5.747 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 43 17.817 6.630 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.938 5.953 -9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.669 5.790 -11.210 1.00 0.00 H new ATOM 701 N GLU A 44 15.269 8.338 -10.159 1.00 0.00 N ATOM 702 CA GLU A 44 14.727 9.727 -10.153 1.00 0.00 C ATOM 703 C GLU A 44 13.836 9.935 -8.927 1.00 0.00 C ATOM 704 O GLU A 44 13.230 10.973 -8.755 1.00 0.00 O ATOM 705 CB GLU A 44 13.902 9.833 -11.435 1.00 0.00 C ATOM 706 CG GLU A 44 14.051 11.238 -12.022 1.00 0.00 C ATOM 707 CD GLU A 44 13.453 11.267 -13.430 1.00 0.00 C ATOM 708 OE1 GLU A 44 12.921 10.252 -13.849 1.00 0.00 O ATOM 709 OE2 GLU A 44 13.537 12.305 -14.066 1.00 0.00 O ATOM 0 H GLU A 44 14.641 7.628 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 44 15.514 10.480 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.235 9.088 -12.157 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.853 9.625 -11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.547 11.965 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.103 11.520 -12.056 1.00 0.00 H new ATOM 716 N GLY A 45 13.749 8.949 -8.079 1.00 0.00 N ATOM 717 CA GLY A 45 12.892 9.078 -6.867 1.00 0.00 C ATOM 718 C GLY A 45 11.699 8.134 -6.994 1.00 0.00 C ATOM 719 O GLY A 45 10.561 8.533 -6.853 1.00 0.00 O ATOM 0 H GLY A 45 14.235 8.057 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.467 8.838 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.547 10.106 -6.758 1.00 0.00 H new ATOM 723 N TRP A 46 11.950 6.883 -7.265 1.00 0.00 N ATOM 724 CA TRP A 46 10.828 5.916 -7.406 1.00 0.00 C ATOM 725 C TRP A 46 11.148 4.610 -6.676 1.00 0.00 C ATOM 726 O TRP A 46 12.006 3.851 -7.082 1.00 0.00 O ATOM 727 CB TRP A 46 10.699 5.671 -8.910 1.00 0.00 C ATOM 728 CG TRP A 46 9.862 6.747 -9.520 1.00 0.00 C ATOM 729 CD1 TRP A 46 10.307 7.672 -10.401 1.00 0.00 C ATOM 730 CD2 TRP A 46 8.447 7.028 -9.310 1.00 0.00 C ATOM 731 NE1 TRP A 46 9.256 8.502 -10.748 1.00 0.00 N ATOM 732 CE2 TRP A 46 8.089 8.145 -10.101 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.449 6.428 -8.518 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.787 8.649 -10.108 1.00 0.00 C ATOM 735 CZ3 TRP A 46 6.139 6.932 -8.523 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.809 8.041 -9.316 1.00 0.00 C ATOM 0 H TRP A 46 12.882 6.490 -7.395 1.00 0.00 H new ATOM 0 HA TRP A 46 9.904 6.299 -6.973 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.686 5.657 -9.373 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.247 4.696 -9.093 1.00 0.00 H new ATOM 0 HD1 TRP A 46 11.318 7.750 -10.773 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.333 9.282 -11.401 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.693 5.575 -7.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.537 9.502 -10.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.381 6.463 -7.913 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.800 8.425 -9.315 1.00 0.00 H new ATOM 747 N VAL A 47 10.450 4.339 -5.609 1.00 0.00 N ATOM 748 CA VAL A 47 10.693 3.076 -4.855 1.00 0.00 C ATOM 749 C VAL A 47 9.593 2.070 -5.199 1.00 0.00 C ATOM 750 O VAL A 47 8.431 2.420 -5.236 1.00 0.00 O ATOM 751 CB VAL A 47 10.620 3.469 -3.379 1.00 0.00 C ATOM 752 CG1 VAL A 47 11.294 2.391 -2.530 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.340 4.804 -3.169 1.00 0.00 C ATOM 0 H VAL A 47 9.720 4.939 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 47 11.651 2.616 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 47 9.576 3.567 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.242 2.671 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.783 1.439 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.338 2.293 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.288 5.084 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.384 4.705 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.862 5.574 -3.774 1.00 0.00 H new ATOM 763 N PRO A 48 9.987 0.852 -5.457 1.00 0.00 N ATOM 764 CA PRO A 48 9.016 -0.192 -5.818 1.00 0.00 C ATOM 765 C PRO A 48 8.423 -0.812 -4.556 1.00 0.00 C ATOM 766 O PRO A 48 9.003 -0.763 -3.490 1.00 0.00 O ATOM 767 CB PRO A 48 9.844 -1.218 -6.591 1.00 0.00 C ATOM 768 CG PRO A 48 11.282 -0.816 -6.423 1.00 0.00 C ATOM 769 CD PRO A 48 11.343 0.322 -5.438 1.00 0.00 C ATOM 0 HA PRO A 48 8.177 0.187 -6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.674 -2.224 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.564 -1.229 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.873 -1.659 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.706 -0.513 -7.380 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.627 -0.021 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.073 1.074 -5.736 1.00 0.00 H new ATOM 777 N LEU A 49 7.262 -1.379 -4.671 1.00 0.00 N ATOM 778 CA LEU A 49 6.610 -1.991 -3.476 1.00 0.00 C ATOM 779 C LEU A 49 7.473 -3.120 -2.908 1.00 0.00 C ATOM 780 O LEU A 49 7.134 -3.719 -1.910 1.00 0.00 O ATOM 781 CB LEU A 49 5.280 -2.546 -3.989 1.00 0.00 C ATOM 782 CG LEU A 49 4.460 -1.418 -4.619 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.173 -1.993 -5.212 1.00 0.00 C ATOM 784 CD2 LEU A 49 4.109 -0.385 -3.545 1.00 0.00 C ATOM 0 H LEU A 49 6.731 -1.448 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 49 6.472 -1.266 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.461 -3.331 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.723 -2.999 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 49 5.042 -0.941 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.589 -1.190 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.422 -2.731 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.590 -2.469 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.525 0.420 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.526 -0.863 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.026 0.024 -3.121 1.00 0.00 H new ATOM 796 N GLU A 50 8.601 -3.395 -3.505 1.00 0.00 N ATOM 797 CA GLU A 50 9.474 -4.465 -2.951 1.00 0.00 C ATOM 798 C GLU A 50 9.965 -4.009 -1.582 1.00 0.00 C ATOM 799 O GLU A 50 9.961 -4.749 -0.618 1.00 0.00 O ATOM 800 CB GLU A 50 10.639 -4.605 -3.931 1.00 0.00 C ATOM 801 CG GLU A 50 11.434 -3.301 -3.991 1.00 0.00 C ATOM 802 CD GLU A 50 12.607 -3.467 -4.958 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.375 -3.918 -6.069 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.717 -3.141 -4.573 1.00 0.00 O ATOM 0 H GLU A 50 8.952 -2.930 -4.343 1.00 0.00 H new ATOM 0 HA GLU A 50 8.962 -5.420 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.289 -5.423 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.262 -4.856 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.791 -2.484 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.801 -3.039 -2.998 1.00 0.00 H new ATOM 811 N ILE A 51 10.358 -2.774 -1.501 1.00 0.00 N ATOM 812 CA ILE A 51 10.828 -2.206 -0.208 1.00 0.00 C ATOM 813 C ILE A 51 9.694 -2.271 0.815 1.00 0.00 C ATOM 814 O ILE A 51 9.888 -2.564 1.978 1.00 0.00 O ATOM 815 CB ILE A 51 11.132 -0.740 -0.512 1.00 0.00 C ATOM 816 CG1 ILE A 51 11.959 -0.609 -1.796 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.895 -0.135 0.656 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.084 -1.641 -1.810 1.00 0.00 C ATOM 0 H ILE A 51 10.375 -2.123 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 51 11.689 -2.743 0.191 1.00 0.00 H new ATOM 0 HB ILE A 51 10.192 -0.208 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.317 -0.749 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.377 0.395 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.115 0.911 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.290 -0.203 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.828 -0.679 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.663 -1.536 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.735 -1.481 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.659 -2.643 -1.762 1.00 0.00 H new ATOM 830 N MET A 52 8.508 -2.006 0.356 1.00 0.00 N ATOM 831 CA MET A 52 7.314 -2.045 1.246 1.00 0.00 C ATOM 832 C MET A 52 6.859 -3.491 1.484 1.00 0.00 C ATOM 833 O MET A 52 6.499 -3.867 2.582 1.00 0.00 O ATOM 834 CB MET A 52 6.240 -1.258 0.495 1.00 0.00 C ATOM 835 CG MET A 52 6.330 0.222 0.882 1.00 0.00 C ATOM 836 SD MET A 52 8.044 0.784 0.726 1.00 0.00 S ATOM 837 CE MET A 52 8.013 2.001 2.067 1.00 0.00 C ATOM 0 H MET A 52 8.309 -1.760 -0.614 1.00 0.00 H new ATOM 0 HA MET A 52 7.522 -1.622 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.375 -1.373 -0.581 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.252 -1.649 0.736 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.681 0.817 0.239 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.982 0.363 1.905 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.979 2.503 2.125 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.233 2.737 1.872 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.809 1.497 3.011 1.00 0.00 H new ATOM 847 N ILE A 53 6.848 -4.294 0.454 1.00 0.00 N ATOM 848 CA ILE A 53 6.390 -5.709 0.603 1.00 0.00 C ATOM 849 C ILE A 53 7.396 -6.547 1.401 1.00 0.00 C ATOM 850 O ILE A 53 7.205 -7.733 1.582 1.00 0.00 O ATOM 851 CB ILE A 53 6.261 -6.234 -0.834 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.787 -6.491 -1.152 1.00 0.00 C ATOM 853 CG2 ILE A 53 7.047 -7.538 -0.999 1.00 0.00 C ATOM 854 CD1 ILE A 53 3.951 -5.290 -0.705 1.00 0.00 C ATOM 0 H ILE A 53 7.137 -4.031 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 53 5.451 -5.771 1.154 1.00 0.00 H new ATOM 0 HB ILE A 53 6.665 -5.487 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.659 -6.659 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.447 -7.394 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.945 -7.897 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.100 -7.359 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.656 -8.288 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.901 -5.473 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.070 -5.143 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.286 -4.397 -1.233 1.00 0.00 H new ATOM 866 N LYS A 54 8.461 -5.965 1.882 1.00 0.00 N ATOM 867 CA LYS A 54 9.444 -6.771 2.661 1.00 0.00 C ATOM 868 C LYS A 54 9.615 -6.186 4.065 1.00 0.00 C ATOM 869 O LYS A 54 10.095 -6.843 4.967 1.00 0.00 O ATOM 870 CB LYS A 54 10.752 -6.674 1.873 1.00 0.00 C ATOM 871 CG LYS A 54 11.326 -5.259 1.991 1.00 0.00 C ATOM 872 CD LYS A 54 12.819 -5.340 2.308 1.00 0.00 C ATOM 873 CE LYS A 54 13.026 -6.118 3.609 1.00 0.00 C ATOM 874 NZ LYS A 54 14.424 -5.814 4.021 1.00 0.00 N ATOM 0 H LYS A 54 8.692 -4.978 1.771 1.00 0.00 H new ATOM 0 HA LYS A 54 9.122 -7.805 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.470 -7.400 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.575 -6.918 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.170 -4.713 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.806 -4.708 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.348 -5.830 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.236 -4.337 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.313 -5.807 4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.883 -7.188 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.641 -6.313 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.081 -6.127 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.528 -4.789 4.166 1.00 0.00 H new ATOM 888 N PHE A 55 9.226 -4.955 4.256 1.00 0.00 N ATOM 889 CA PHE A 55 9.366 -4.331 5.604 1.00 0.00 C ATOM 890 C PHE A 55 8.415 -5.005 6.597 1.00 0.00 C ATOM 891 O PHE A 55 7.254 -5.219 6.312 1.00 0.00 O ATOM 892 CB PHE A 55 8.985 -2.863 5.402 1.00 0.00 C ATOM 893 CG PHE A 55 10.195 -1.991 5.647 1.00 0.00 C ATOM 894 CD1 PHE A 55 10.737 -1.893 6.935 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.777 -1.282 4.587 1.00 0.00 C ATOM 896 CE1 PHE A 55 11.858 -1.086 7.163 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.898 -0.476 4.816 1.00 0.00 C ATOM 898 CZ PHE A 55 12.439 -0.379 6.104 1.00 0.00 C ATOM 0 H PHE A 55 8.818 -4.355 3.539 1.00 0.00 H new ATOM 0 HA PHE A 55 10.373 -4.437 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.611 -2.709 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.181 -2.588 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.290 -2.440 7.752 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.360 -1.358 3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.275 -1.009 8.156 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.346 0.071 4.000 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.305 0.242 6.280 1.00 0.00 H new ATOM 908 N ASN A 56 8.901 -5.346 7.760 1.00 0.00 N ATOM 909 CA ASN A 56 8.027 -6.011 8.770 1.00 0.00 C ATOM 910 C ASN A 56 6.801 -5.143 9.067 1.00 0.00 C ATOM 911 O ASN A 56 5.786 -5.625 9.529 1.00 0.00 O ATOM 912 CB ASN A 56 8.899 -6.150 10.018 1.00 0.00 C ATOM 913 CG ASN A 56 10.195 -6.877 9.657 1.00 0.00 C ATOM 914 OD1 ASN A 56 11.162 -6.257 9.259 1.00 0.00 O ATOM 915 ND2 ASN A 56 10.257 -8.175 9.779 1.00 0.00 N ATOM 0 H ASN A 56 9.865 -5.193 8.055 1.00 0.00 H new ATOM 0 HA ASN A 56 7.655 -6.975 8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.124 -5.166 10.429 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.363 -6.702 10.790 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.117 -8.669 9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.446 -8.695 10.113 1.00 0.00 H new ATOM 922 N ARG A 57 6.887 -3.868 8.808 1.00 0.00 N ATOM 923 CA ARG A 57 5.725 -2.973 9.080 1.00 0.00 C ATOM 924 C ARG A 57 4.596 -3.252 8.085 1.00 0.00 C ATOM 925 O ARG A 57 3.431 -3.094 8.393 1.00 0.00 O ATOM 926 CB ARG A 57 6.266 -1.556 8.896 1.00 0.00 C ATOM 927 CG ARG A 57 6.576 -0.948 10.265 1.00 0.00 C ATOM 928 CD ARG A 57 7.790 -0.025 10.152 1.00 0.00 C ATOM 929 NE ARG A 57 8.112 0.360 11.554 1.00 0.00 N ATOM 930 CZ ARG A 57 8.624 -0.520 12.372 1.00 0.00 C ATOM 931 NH1 ARG A 57 8.856 -1.737 11.961 1.00 0.00 N ATOM 932 NH2 ARG A 57 8.902 -0.181 13.601 1.00 0.00 N ATOM 0 H ARG A 57 7.710 -3.406 8.420 1.00 0.00 H new ATOM 0 HA ARG A 57 5.311 -3.125 10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.167 -1.576 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.535 -0.941 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.714 -0.389 10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.773 -1.738 10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.630 -0.534 9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.565 0.851 9.544 1.00 0.00 H new ATOM 0 HE ARG A 57 7.933 1.311 11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.637 -2.001 11.000 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.256 -2.424 12.600 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.719 0.770 13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.302 -0.867 14.241 1.00 0.00 H new ATOM 946 N LEU A 58 4.929 -3.666 6.894 1.00 0.00 N ATOM 947 CA LEU A 58 3.872 -3.953 5.883 1.00 0.00 C ATOM 948 C LEU A 58 3.811 -5.454 5.590 1.00 0.00 C ATOM 949 O LEU A 58 2.755 -6.053 5.583 1.00 0.00 O ATOM 950 CB LEU A 58 4.297 -3.180 4.633 1.00 0.00 C ATOM 951 CG LEU A 58 3.124 -3.103 3.655 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.039 -1.692 3.071 1.00 0.00 C ATOM 953 CD2 LEU A 58 3.338 -4.110 2.524 1.00 0.00 C ATOM 0 H LEU A 58 5.886 -3.818 6.577 1.00 0.00 H new ATOM 0 HA LEU A 58 2.881 -3.657 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.622 -2.176 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.147 -3.672 4.160 1.00 0.00 H new ATOM 0 HG LEU A 58 2.197 -3.336 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.203 -1.637 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.888 -0.973 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.965 -1.459 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.503 -4.056 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.265 -3.877 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.400 -5.116 2.939 1.00 0.00 H new ATOM 965 N ASN A 59 4.938 -6.067 5.348 1.00 0.00 N ATOM 966 CA ASN A 59 4.943 -7.529 5.055 1.00 0.00 C ATOM 967 C ASN A 59 4.292 -8.301 6.205 1.00 0.00 C ATOM 968 O ASN A 59 3.827 -9.411 6.037 1.00 0.00 O ATOM 969 CB ASN A 59 6.419 -7.903 4.924 1.00 0.00 C ATOM 970 CG ASN A 59 6.550 -9.417 4.748 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.043 -10.179 5.547 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.213 -9.888 3.727 1.00 0.00 N ATOM 0 H ASN A 59 5.854 -5.619 5.340 1.00 0.00 H new ATOM 0 HA ASN A 59 4.381 -7.771 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.861 -7.388 4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.966 -7.581 5.810 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.305 -10.896 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.639 -9.248 3.056 1.00 0.00 H new ATOM 979 N ARG A 60 4.254 -7.723 7.375 1.00 0.00 N ATOM 980 CA ARG A 60 3.632 -8.426 8.534 1.00 0.00 C ATOM 981 C ARG A 60 2.144 -8.666 8.266 1.00 0.00 C ATOM 982 O ARG A 60 1.539 -9.559 8.826 1.00 0.00 O ATOM 983 CB ARG A 60 3.817 -7.477 9.720 1.00 0.00 C ATOM 984 CG ARG A 60 2.964 -7.957 10.895 1.00 0.00 C ATOM 985 CD ARG A 60 3.861 -8.200 12.111 1.00 0.00 C ATOM 986 NE ARG A 60 2.932 -8.220 13.275 1.00 0.00 N ATOM 987 CZ ARG A 60 3.406 -8.295 14.489 1.00 0.00 C ATOM 988 NH1 ARG A 60 4.695 -8.355 14.685 1.00 0.00 N ATOM 989 NH2 ARG A 60 2.590 -8.312 15.507 1.00 0.00 N ATOM 0 H ARG A 60 4.626 -6.795 7.579 1.00 0.00 H new ATOM 0 HA ARG A 60 4.084 -9.400 8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.867 -7.441 10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.529 -6.464 9.438 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.203 -7.214 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.440 -8.874 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.402 -9.142 12.021 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.608 -7.413 12.215 1.00 0.00 H new ATOM 0 HE ARG A 60 1.924 -8.175 13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.333 -8.343 13.889 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.064 -8.414 15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.583 -8.267 15.354 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.960 -8.371 16.456 1.00 0.00 H new ATOM 1003 N LEU A 61 1.550 -7.877 7.414 1.00 0.00 N ATOM 1004 CA LEU A 61 0.101 -8.060 7.112 1.00 0.00 C ATOM 1005 C LEU A 61 -0.086 -8.496 5.657 1.00 0.00 C ATOM 1006 O LEU A 61 -0.131 -9.672 5.352 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.528 -6.686 7.345 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.152 -6.640 8.740 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -0.205 -5.922 9.702 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.482 -5.885 8.678 1.00 0.00 C ATOM 0 H LEU A 61 2.005 -7.113 6.913 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.356 -8.829 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.228 -5.907 7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.288 -6.489 6.589 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.325 -7.657 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.651 -5.890 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.743 -6.458 9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.031 -4.905 9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.928 -5.851 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.307 -4.869 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.159 -6.396 7.994 1.00 0.00 H new ATOM 1022 N THR A 62 -0.198 -7.559 4.756 1.00 0.00 N ATOM 1023 CA THR A 62 -0.384 -7.921 3.321 1.00 0.00 C ATOM 1024 C THR A 62 0.904 -7.661 2.535 1.00 0.00 C ATOM 1025 O THR A 62 1.706 -6.824 2.899 1.00 0.00 O ATOM 1026 CB THR A 62 -1.508 -7.009 2.827 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.745 -7.445 3.375 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.577 -7.061 1.300 1.00 0.00 C ATOM 0 H THR A 62 -0.169 -6.558 4.951 1.00 0.00 H new ATOM 0 HA THR A 62 -0.626 -8.976 3.190 1.00 0.00 H new ATOM 0 HB THR A 62 -1.311 -5.985 3.144 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.211 -6.683 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.378 -6.411 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.628 -6.726 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.774 -8.084 0.979 1.00 0.00 H new ATOM 1036 N THR A 63 1.107 -8.370 1.459 1.00 0.00 N ATOM 1037 CA THR A 63 2.342 -8.163 0.650 1.00 0.00 C ATOM 1038 C THR A 63 2.070 -8.484 -0.822 1.00 0.00 C ATOM 1039 O THR A 63 2.981 -8.660 -1.608 1.00 0.00 O ATOM 1040 CB THR A 63 3.368 -9.138 1.231 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.889 -9.643 2.471 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.697 -8.414 1.454 1.00 0.00 C ATOM 0 H THR A 63 0.471 -9.084 1.104 1.00 0.00 H new ATOM 0 HA THR A 63 2.693 -7.132 0.691 1.00 0.00 H new ATOM 0 HB THR A 63 3.519 -9.963 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.544 -10.269 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.426 -9.111 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.064 -8.027 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.549 -7.588 2.150 1.00 0.00 H new ATOM 1050 N ASP A 64 0.824 -8.560 -1.203 1.00 0.00 N ATOM 1051 CA ASP A 64 0.495 -8.869 -2.625 1.00 0.00 C ATOM 1052 C ASP A 64 0.603 -7.601 -3.478 1.00 0.00 C ATOM 1053 O ASP A 64 -0.266 -6.752 -3.455 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.947 -9.376 -2.598 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.961 -10.890 -2.814 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.732 -11.311 -3.936 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.199 -11.603 -1.853 1.00 0.00 O ATOM 0 H ASP A 64 0.019 -8.422 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 64 1.176 -9.603 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.412 -9.130 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.532 -8.882 -3.374 1.00 0.00 H new ATOM 1062 N PHE A 65 1.665 -7.469 -4.228 1.00 0.00 N ATOM 1063 CA PHE A 65 1.838 -6.257 -5.082 1.00 0.00 C ATOM 1064 C PHE A 65 0.489 -5.804 -5.651 1.00 0.00 C ATOM 1065 O PHE A 65 0.215 -4.626 -5.756 1.00 0.00 O ATOM 1066 CB PHE A 65 2.770 -6.700 -6.211 1.00 0.00 C ATOM 1067 CG PHE A 65 4.176 -6.231 -5.922 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.582 -6.001 -4.602 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.077 -6.027 -6.976 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.886 -5.568 -4.335 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.381 -5.595 -6.708 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.786 -5.364 -5.388 1.00 0.00 C ATOM 0 H PHE A 65 2.422 -8.150 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 65 2.242 -5.415 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.751 -7.786 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.427 -6.290 -7.161 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.888 -6.158 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.765 -6.203 -7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.198 -5.391 -3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.076 -5.440 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.792 -5.029 -5.182 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.353 -6.729 -6.020 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.681 -6.348 -6.585 1.00 0.00 C ATOM 1084 C ASN A 66 -2.589 -5.780 -5.489 1.00 0.00 C ATOM 1085 O ASN A 66 -3.335 -4.847 -5.711 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.261 -7.650 -7.139 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.557 -8.006 -8.449 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -0.852 -7.194 -9.014 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -1.718 -9.196 -8.959 1.00 0.00 N ATOM 0 H ASN A 66 -0.180 -7.732 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.595 -5.577 -7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.133 -8.455 -6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.332 -7.540 -7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.252 -9.444 -9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.310 -9.878 -8.485 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.538 -6.339 -4.311 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.404 -5.833 -3.206 1.00 0.00 C ATOM 1098 C VAL A 67 -2.927 -4.457 -2.733 1.00 0.00 C ATOM 1099 O VAL A 67 -3.715 -3.555 -2.525 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.258 -6.862 -2.086 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.155 -6.470 -0.912 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.671 -8.242 -2.605 1.00 0.00 C ATOM 0 H VAL A 67 -1.935 -7.124 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.440 -5.713 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.220 -6.893 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.051 -7.204 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.862 -5.487 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.193 -6.438 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.567 -8.977 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.709 -8.210 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.031 -8.522 -3.442 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.646 -4.289 -2.556 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.122 -2.972 -2.088 1.00 0.00 C ATOM 1114 C ILE A 68 -1.418 -1.883 -3.116 1.00 0.00 C ATOM 1115 O ILE A 68 -1.904 -0.817 -2.797 1.00 0.00 O ATOM 1116 CB ILE A 68 0.384 -3.179 -1.999 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.711 -4.076 -0.809 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.073 -1.828 -1.848 1.00 0.00 C ATOM 1119 CD1 ILE A 68 0.859 -5.511 -1.310 1.00 0.00 C ATOM 0 H ILE A 68 -0.938 -5.006 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.573 -2.662 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 68 0.742 -3.661 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.632 -3.746 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.079 -4.016 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.151 -1.975 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.842 -1.203 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.719 -1.338 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.093 -6.167 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.074 -5.833 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.664 -5.559 -2.044 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.117 -2.156 -4.349 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.359 -1.157 -5.427 1.00 0.00 C ATOM 1133 C VAL A 69 -2.857 -0.874 -5.570 1.00 0.00 C ATOM 1134 O VAL A 69 -3.262 0.237 -5.849 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.810 -1.819 -6.688 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.656 -2.201 -6.464 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.620 -3.081 -6.993 1.00 0.00 C ATOM 0 H VAL A 69 -0.709 -3.037 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.883 -0.198 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.884 -1.125 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.050 -2.674 -7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.236 -1.305 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.727 -2.896 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.229 -3.555 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.543 -3.774 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.665 -2.814 -7.148 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.681 -1.866 -5.380 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.151 -1.645 -5.505 1.00 0.00 C ATOM 1149 C GLU A 70 -5.669 -0.847 -4.305 1.00 0.00 C ATOM 1150 O GLU A 70 -6.511 0.018 -4.441 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.764 -3.046 -5.523 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.151 -3.415 -6.957 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.437 -2.682 -7.344 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -7.657 -1.600 -6.828 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.181 -3.218 -8.150 1.00 0.00 O ATOM 0 H GLU A 70 -3.403 -2.818 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.408 -1.077 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.052 -3.771 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.642 -3.079 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.347 -3.147 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.295 -4.492 -7.040 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.173 -1.133 -3.133 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.638 -0.392 -1.926 1.00 0.00 C ATOM 1164 C ALA A 71 -5.173 1.067 -1.984 1.00 0.00 C ATOM 1165 O ALA A 71 -5.955 1.984 -1.829 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.992 -1.114 -0.744 1.00 0.00 C ATOM 0 H ALA A 71 -4.466 -1.847 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.725 -0.374 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.287 -0.627 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.321 -2.153 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.907 -1.078 -0.844 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.905 1.289 -2.204 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.394 2.688 -2.269 1.00 0.00 C ATOM 1174 C LEU A 72 -3.967 3.405 -3.495 1.00 0.00 C ATOM 1175 O LEU A 72 -4.136 4.608 -3.499 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.874 2.552 -2.386 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.521 1.845 -3.696 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -1.581 2.846 -4.851 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -0.107 1.269 -3.597 1.00 0.00 C ATOM 0 H LEU A 72 -3.202 0.563 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.683 3.273 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.407 3.537 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.483 1.987 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.233 1.040 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.329 2.341 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.587 3.259 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.869 3.652 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.147 0.765 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.603 2.076 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.062 0.555 -2.775 1.00 0.00 H new ATOM 1191 N SER A 73 -4.267 2.676 -4.534 1.00 0.00 N ATOM 1192 CA SER A 73 -4.829 3.318 -5.757 1.00 0.00 C ATOM 1193 C SER A 73 -6.081 4.127 -5.403 1.00 0.00 C ATOM 1194 O SER A 73 -6.522 4.969 -6.159 1.00 0.00 O ATOM 1195 CB SER A 73 -5.185 2.158 -6.685 1.00 0.00 C ATOM 1196 OG SER A 73 -4.278 2.136 -7.779 1.00 0.00 O ATOM 0 H SER A 73 -4.148 1.665 -4.590 1.00 0.00 H new ATOM 0 HA SER A 73 -4.125 4.010 -6.221 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.139 1.215 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.207 2.268 -7.047 1.00 0.00 H new ATOM 0 HG SER A 73 -4.779 2.177 -8.620 1.00 0.00 H new ATOM 1202 N LYS A 74 -6.657 3.877 -4.258 1.00 0.00 N ATOM 1203 CA LYS A 74 -7.879 4.632 -3.859 1.00 0.00 C ATOM 1204 C LYS A 74 -7.522 5.729 -2.852 1.00 0.00 C ATOM 1205 O LYS A 74 -8.270 6.664 -2.648 1.00 0.00 O ATOM 1206 CB LYS A 74 -8.794 3.590 -3.214 1.00 0.00 C ATOM 1207 CG LYS A 74 -10.101 3.500 -4.004 1.00 0.00 C ATOM 1208 CD LYS A 74 -11.277 3.832 -3.084 1.00 0.00 C ATOM 1209 CE LYS A 74 -11.249 5.322 -2.737 1.00 0.00 C ATOM 1210 NZ LYS A 74 -11.676 5.391 -1.311 1.00 0.00 N ATOM 0 H LYS A 74 -6.335 3.184 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.354 5.125 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.300 2.618 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.000 3.862 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.078 4.192 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.220 2.498 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.218 3.579 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.220 3.235 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.252 5.740 -2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.922 5.890 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.682 6.383 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.631 4.992 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.013 4.847 -0.723 1.00 0.00 H new ATOM 1224 N SER A 75 -6.394 5.612 -2.205 1.00 0.00 N ATOM 1225 CA SER A 75 -5.999 6.635 -1.193 1.00 0.00 C ATOM 1226 C SER A 75 -5.982 8.037 -1.808 1.00 0.00 C ATOM 1227 O SER A 75 -5.835 8.208 -3.002 1.00 0.00 O ATOM 1228 CB SER A 75 -4.593 6.229 -0.753 1.00 0.00 C ATOM 1229 OG SER A 75 -3.710 6.317 -1.864 1.00 0.00 O ATOM 0 H SER A 75 -5.727 4.851 -2.334 1.00 0.00 H new ATOM 0 HA SER A 75 -6.700 6.672 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.249 6.879 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.602 5.212 -0.360 1.00 0.00 H new ATOM 0 HG SER A 75 -3.784 5.504 -2.406 1.00 0.00 H new ATOM 1235 N LYS A 76 -6.132 9.039 -0.985 1.00 0.00 N ATOM 1236 CA LYS A 76 -6.127 10.441 -1.495 1.00 0.00 C ATOM 1237 C LYS A 76 -5.751 11.410 -0.371 1.00 0.00 C ATOM 1238 O LYS A 76 -6.309 12.483 -0.251 1.00 0.00 O ATOM 1239 CB LYS A 76 -7.560 10.696 -1.966 1.00 0.00 C ATOM 1240 CG LYS A 76 -8.485 10.800 -0.752 1.00 0.00 C ATOM 1241 CD LYS A 76 -9.886 10.317 -1.134 1.00 0.00 C ATOM 1242 CE LYS A 76 -10.933 11.141 -0.383 1.00 0.00 C ATOM 1243 NZ LYS A 76 -11.793 10.137 0.302 1.00 0.00 N ATOM 0 H LYS A 76 -6.258 8.947 0.023 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.403 10.587 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.604 11.615 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.889 9.888 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.093 10.200 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.527 11.831 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.035 10.414 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.997 9.260 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.465 11.815 0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.515 11.758 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.537 10.626 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.231 9.514 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.213 9.569 0.952 1.00 0.00 H new ATOM 1257 N ALA A 77 -4.810 11.041 0.454 1.00 0.00 N ATOM 1258 CA ALA A 77 -4.400 11.944 1.570 1.00 0.00 C ATOM 1259 C ALA A 77 -3.268 12.851 1.122 1.00 0.00 C ATOM 1260 O ALA A 77 -2.586 13.472 1.913 1.00 0.00 O ATOM 1261 CB ALA A 77 -3.960 11.024 2.709 1.00 0.00 C ATOM 0 H ALA A 77 -4.307 10.155 0.405 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.213 12.597 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.646 11.626 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.793 10.385 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.127 10.405 2.375 1.00 0.00 H new ATOM 1267 N GLU A 78 -3.077 12.924 -0.148 1.00 0.00 N ATOM 1268 CA GLU A 78 -1.997 13.786 -0.705 1.00 0.00 C ATOM 1269 C GLU A 78 -0.649 13.421 -0.077 1.00 0.00 C ATOM 1270 O GLU A 78 -0.549 12.500 0.709 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.396 15.213 -0.327 1.00 0.00 C ATOM 1272 CG GLU A 78 -3.823 15.487 -0.803 1.00 0.00 C ATOM 1273 CD GLU A 78 -3.787 16.082 -2.212 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -2.769 15.940 -2.868 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -4.778 16.671 -2.611 1.00 0.00 O ATOM 0 H GLU A 78 -3.626 12.420 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.887 13.665 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.330 15.347 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.707 15.926 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.402 14.563 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.320 16.175 -0.119 1.00 0.00 H new ATOM 1282 N LEU A 79 0.388 14.141 -0.422 1.00 0.00 N ATOM 1283 CA LEU A 79 1.741 13.850 0.146 1.00 0.00 C ATOM 1284 C LEU A 79 2.369 12.635 -0.548 1.00 0.00 C ATOM 1285 O LEU A 79 3.563 12.420 -0.475 1.00 0.00 O ATOM 1286 CB LEU A 79 1.507 13.576 1.640 1.00 0.00 C ATOM 1287 CG LEU A 79 1.693 12.086 1.939 1.00 0.00 C ATOM 1288 CD1 LEU A 79 3.187 11.756 1.989 1.00 0.00 C ATOM 1289 CD2 LEU A 79 1.054 11.754 3.289 1.00 0.00 C ATOM 0 H LEU A 79 0.356 14.923 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 79 2.433 14.679 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.203 14.164 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.501 13.888 1.921 1.00 0.00 H new ATOM 0 HG LEU A 79 1.217 11.497 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.318 10.695 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.644 11.993 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.664 12.345 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.186 10.693 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.530 12.344 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.010 11.988 3.255 1.00 0.00 H new ATOM 1301 N MET A 80 1.581 11.836 -1.215 1.00 0.00 N ATOM 1302 CA MET A 80 2.147 10.639 -1.902 1.00 0.00 C ATOM 1303 C MET A 80 1.769 10.645 -3.385 1.00 0.00 C ATOM 1304 O MET A 80 0.839 11.309 -3.798 1.00 0.00 O ATOM 1305 CB MET A 80 1.515 9.441 -1.192 1.00 0.00 C ATOM 1306 CG MET A 80 2.602 8.647 -0.465 1.00 0.00 C ATOM 1307 SD MET A 80 2.661 6.964 -1.125 1.00 0.00 S ATOM 1308 CE MET A 80 4.463 6.812 -1.191 1.00 0.00 C ATOM 0 H MET A 80 0.573 11.959 -1.314 1.00 0.00 H new ATOM 0 HA MET A 80 3.236 10.615 -1.856 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.762 9.782 -0.481 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.006 8.803 -1.915 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.569 9.133 -0.592 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.396 8.623 0.605 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.802 6.950 -2.218 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.916 7.572 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.758 5.822 -0.842 1.00 0.00 H new ATOM 1318 N GLU A 81 2.484 9.905 -4.188 1.00 0.00 N ATOM 1319 CA GLU A 81 2.169 9.861 -5.644 1.00 0.00 C ATOM 1320 C GLU A 81 2.662 8.543 -6.248 1.00 0.00 C ATOM 1321 O GLU A 81 3.843 8.350 -6.458 1.00 0.00 O ATOM 1322 CB GLU A 81 2.924 11.045 -6.249 1.00 0.00 C ATOM 1323 CG GLU A 81 2.348 11.369 -7.629 1.00 0.00 C ATOM 1324 CD GLU A 81 1.841 12.812 -7.645 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.237 13.568 -6.773 1.00 0.00 O ATOM 1326 OE2 GLU A 81 1.063 13.137 -8.528 1.00 0.00 O ATOM 0 H GLU A 81 3.274 9.328 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 81 1.098 9.920 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.842 11.914 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.985 10.809 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.112 11.232 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.534 10.684 -7.865 1.00 0.00 H new ATOM 1333 N ILE A 82 1.769 7.634 -6.526 1.00 0.00 N ATOM 1334 CA ILE A 82 2.189 6.330 -7.113 1.00 0.00 C ATOM 1335 C ILE A 82 2.057 6.365 -8.638 1.00 0.00 C ATOM 1336 O ILE A 82 1.143 6.955 -9.178 1.00 0.00 O ATOM 1337 CB ILE A 82 1.233 5.296 -6.518 1.00 0.00 C ATOM 1338 CG1 ILE A 82 1.040 5.576 -5.025 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.817 3.895 -6.700 1.00 0.00 C ATOM 1340 CD1 ILE A 82 2.406 5.682 -4.345 1.00 0.00 C ATOM 0 H ILE A 82 0.766 7.738 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 82 3.230 6.098 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 82 0.271 5.358 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.480 6.501 -4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.455 4.778 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.135 3.158 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.954 3.693 -7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.779 3.833 -6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.269 5.881 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.949 4.745 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.975 6.495 -4.796 1.00 0.00 H new ATOM 1352 N SER A 83 2.966 5.738 -9.335 1.00 0.00 N ATOM 1353 CA SER A 83 2.892 5.735 -10.825 1.00 0.00 C ATOM 1354 C SER A 83 1.540 5.185 -11.287 1.00 0.00 C ATOM 1355 O SER A 83 0.728 4.757 -10.492 1.00 0.00 O ATOM 1356 CB SER A 83 4.026 4.817 -11.275 1.00 0.00 C ATOM 1357 OG SER A 83 4.423 5.171 -12.593 1.00 0.00 O ATOM 0 H SER A 83 3.755 5.228 -8.938 1.00 0.00 H new ATOM 0 HA SER A 83 2.987 6.736 -11.245 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.872 4.904 -10.593 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.700 3.777 -11.248 1.00 0.00 H new ATOM 0 HG SER A 83 4.452 4.367 -13.153 1.00 0.00 H new ATOM 1363 N GLU A 84 1.293 5.195 -12.568 1.00 0.00 N ATOM 1364 CA GLU A 84 -0.007 4.674 -13.081 1.00 0.00 C ATOM 1365 C GLU A 84 0.053 3.149 -13.223 1.00 0.00 C ATOM 1366 O GLU A 84 -0.955 2.494 -13.391 1.00 0.00 O ATOM 1367 CB GLU A 84 -0.186 5.332 -14.449 1.00 0.00 C ATOM 1368 CG GLU A 84 -0.617 6.788 -14.263 1.00 0.00 C ATOM 1369 CD GLU A 84 -1.551 7.195 -15.405 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -2.667 6.704 -15.434 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -1.133 7.990 -16.231 1.00 0.00 O ATOM 0 H GLU A 84 1.934 5.541 -13.282 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.835 4.899 -12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.747 5.287 -15.011 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.934 4.792 -15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.123 6.909 -13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.258 7.438 -14.246 1.00 0.00 H new ATOM 1378 N ASP A 85 1.227 2.582 -13.159 1.00 0.00 N ATOM 1379 CA ASP A 85 1.345 1.102 -13.294 1.00 0.00 C ATOM 1380 C ASP A 85 1.015 0.418 -11.964 1.00 0.00 C ATOM 1381 O ASP A 85 0.831 -0.780 -11.901 1.00 0.00 O ATOM 1382 CB ASP A 85 2.806 0.855 -13.675 1.00 0.00 C ATOM 1383 CG ASP A 85 3.034 -0.644 -13.880 1.00 0.00 C ATOM 1384 OD1 ASP A 85 2.055 -1.367 -13.957 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.185 -1.042 -13.954 1.00 0.00 O ATOM 0 H ASP A 85 2.107 3.078 -13.019 1.00 0.00 H new ATOM 0 HA ASP A 85 0.655 0.700 -14.036 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.052 1.399 -14.587 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.465 1.230 -12.892 1.00 0.00 H new ATOM 1390 N LYS A 86 0.940 1.170 -10.900 1.00 0.00 N ATOM 1391 CA LYS A 86 0.623 0.561 -9.576 1.00 0.00 C ATOM 1392 C LYS A 86 1.728 -0.414 -9.162 1.00 0.00 C ATOM 1393 O LYS A 86 1.467 -1.541 -8.791 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.698 -0.182 -9.787 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.822 0.559 -9.061 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.166 -0.086 -9.407 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.550 0.273 -10.845 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.443 -1.006 -11.600 1.00 0.00 N ATOM 0 H LYS A 86 1.084 2.180 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 86 0.549 1.308 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.922 -0.252 -10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.618 -1.202 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.657 0.526 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.826 1.610 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.101 -1.168 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.936 0.260 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.561 0.678 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.882 1.031 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.353 -0.803 -12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.605 -1.531 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.295 -1.579 -11.435 1.00 0.00 H new ATOM 1412 N THR A 87 2.960 0.010 -9.225 1.00 0.00 N ATOM 1413 CA THR A 87 4.079 -0.895 -8.835 1.00 0.00 C ATOM 1414 C THR A 87 5.248 -0.083 -8.271 1.00 0.00 C ATOM 1415 O THR A 87 6.361 -0.560 -8.179 1.00 0.00 O ATOM 1416 CB THR A 87 4.491 -1.597 -10.130 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.674 -2.351 -9.902 1.00 0.00 O ATOM 1418 CG2 THR A 87 4.750 -0.556 -11.219 1.00 0.00 C ATOM 0 H THR A 87 3.241 0.942 -9.529 1.00 0.00 H new ATOM 0 HA THR A 87 3.784 -1.604 -8.062 1.00 0.00 H new ATOM 0 HB THR A 87 3.691 -2.263 -10.452 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.136 -2.003 -9.111 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.043 -1.059 -12.141 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.842 0.021 -11.394 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.549 0.113 -10.900 1.00 0.00 H new ATOM 1426 N LYS A 88 5.004 1.142 -7.892 1.00 0.00 N ATOM 1427 CA LYS A 88 6.103 1.982 -7.335 1.00 0.00 C ATOM 1428 C LYS A 88 5.522 3.161 -6.546 1.00 0.00 C ATOM 1429 O LYS A 88 4.407 3.584 -6.775 1.00 0.00 O ATOM 1430 CB LYS A 88 6.892 2.470 -8.553 1.00 0.00 C ATOM 1431 CG LYS A 88 6.234 3.726 -9.132 1.00 0.00 C ATOM 1432 CD LYS A 88 7.087 4.265 -10.281 1.00 0.00 C ATOM 1433 CE LYS A 88 7.028 3.294 -11.463 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.090 3.761 -12.398 1.00 0.00 N ATOM 0 H LYS A 88 4.093 1.597 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 88 6.738 1.428 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.921 2.687 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.930 1.687 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.231 3.493 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.128 4.485 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.726 5.247 -10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.119 4.392 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.209 2.268 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.048 3.311 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.112 3.144 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.888 4.738 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.013 3.728 -11.920 1.00 0.00 H new ATOM 1448 N ILE A 89 6.273 3.694 -5.621 1.00 0.00 N ATOM 1449 CA ILE A 89 5.768 4.845 -4.820 1.00 0.00 C ATOM 1450 C ILE A 89 6.845 5.930 -4.723 1.00 0.00 C ATOM 1451 O ILE A 89 8.027 5.647 -4.704 1.00 0.00 O ATOM 1452 CB ILE A 89 5.465 4.263 -3.440 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.764 3.769 -2.797 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.493 3.090 -3.585 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.617 3.780 -1.274 1.00 0.00 C ATOM 0 H ILE A 89 7.215 3.382 -5.385 1.00 0.00 H new ATOM 0 HA ILE A 89 4.889 5.309 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 89 5.018 5.033 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.993 2.761 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.596 4.406 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.276 2.674 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.568 3.439 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.942 2.321 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.542 3.428 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.408 4.795 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.796 3.125 -0.983 1.00 0.00 H new ATOM 1467 N ARG A 90 6.447 7.171 -4.669 1.00 0.00 N ATOM 1468 CA ARG A 90 7.447 8.273 -4.581 1.00 0.00 C ATOM 1469 C ARG A 90 6.855 9.469 -3.831 1.00 0.00 C ATOM 1470 O ARG A 90 5.653 9.631 -3.752 1.00 0.00 O ATOM 1471 CB ARG A 90 7.759 8.645 -6.032 1.00 0.00 C ATOM 1472 CG ARG A 90 6.660 9.560 -6.579 1.00 0.00 C ATOM 1473 CD ARG A 90 6.971 11.011 -6.204 1.00 0.00 C ATOM 1474 NE ARG A 90 6.719 11.792 -7.446 1.00 0.00 N ATOM 1475 CZ ARG A 90 7.578 11.753 -8.429 1.00 0.00 C ATOM 1476 NH1 ARG A 90 8.659 11.030 -8.323 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.354 12.437 -9.516 1.00 0.00 N ATOM 0 H ARG A 90 5.472 7.470 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 90 8.343 7.974 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.725 9.147 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.832 7.744 -6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.594 9.459 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.692 9.267 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.335 11.353 -5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.003 11.120 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 90 5.875 12.358 -7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.833 10.495 -7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.330 11.000 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.509 13.002 -9.598 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.024 12.407 -10.284 1.00 0.00 H new ATOM 1491 N ARG A 91 7.688 10.319 -3.297 1.00 0.00 N ATOM 1492 CA ARG A 91 7.171 11.515 -2.572 1.00 0.00 C ATOM 1493 C ARG A 91 7.073 12.689 -3.548 1.00 0.00 C ATOM 1494 O ARG A 91 7.964 12.922 -4.337 1.00 0.00 O ATOM 1495 CB ARG A 91 8.206 11.799 -1.477 1.00 0.00 C ATOM 1496 CG ARG A 91 8.283 13.308 -1.216 1.00 0.00 C ATOM 1497 CD ARG A 91 8.480 13.562 0.280 1.00 0.00 C ATOM 1498 NE ARG A 91 8.782 15.017 0.382 1.00 0.00 N ATOM 1499 CZ ARG A 91 9.980 15.459 0.108 1.00 0.00 C ATOM 1500 NH1 ARG A 91 10.917 14.627 -0.261 1.00 0.00 N ATOM 1501 NH2 ARG A 91 10.241 16.734 0.200 1.00 0.00 N ATOM 0 H ARG A 91 8.704 10.238 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 91 6.179 11.359 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.933 11.275 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.183 11.423 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.108 13.743 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.370 13.794 -1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.585 13.303 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.296 12.960 0.680 1.00 0.00 H new ATOM 0 HE ARG A 91 8.052 15.670 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.714 13.630 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.852 14.974 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.510 17.385 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.176 17.080 -0.014 1.00 0.00 H new ATOM 1515 N SER A 92 5.999 13.428 -3.509 1.00 0.00 N ATOM 1516 CA SER A 92 5.860 14.576 -4.445 1.00 0.00 C ATOM 1517 C SER A 92 6.925 15.631 -4.141 1.00 0.00 C ATOM 1518 O SER A 92 6.851 16.317 -3.141 1.00 0.00 O ATOM 1519 CB SER A 92 4.461 15.133 -4.184 1.00 0.00 C ATOM 1520 OG SER A 92 4.091 14.862 -2.839 1.00 0.00 O ATOM 0 H SER A 92 5.215 13.287 -2.872 1.00 0.00 H new ATOM 0 HA SER A 92 5.991 14.281 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.445 16.207 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.743 14.681 -4.869 1.00 0.00 H new ATOM 0 HG SER A 92 3.195 15.220 -2.668 1.00 0.00 H new ATOM 1526 N PRO A 93 7.881 15.726 -5.023 1.00 0.00 N ATOM 1527 CA PRO A 93 8.976 16.712 -4.854 1.00 0.00 C ATOM 1528 C PRO A 93 8.396 18.123 -4.912 1.00 0.00 C ATOM 1529 O PRO A 93 8.970 19.069 -4.410 1.00 0.00 O ATOM 1530 CB PRO A 93 9.894 16.453 -6.048 1.00 0.00 C ATOM 1531 CG PRO A 93 9.046 15.722 -7.039 1.00 0.00 C ATOM 1532 CD PRO A 93 8.033 14.941 -6.249 1.00 0.00 C ATOM 0 HA PRO A 93 9.503 16.620 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.272 17.387 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.761 15.860 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.554 16.420 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.654 15.057 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.089 14.848 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.381 13.930 -6.038 1.00 0.00 H new ATOM 1540 N SER A 94 7.253 18.262 -5.522 1.00 0.00 N ATOM 1541 CA SER A 94 6.616 19.601 -5.621 1.00 0.00 C ATOM 1542 C SER A 94 5.762 19.864 -4.381 1.00 0.00 C ATOM 1543 O SER A 94 5.135 20.898 -4.259 1.00 0.00 O ATOM 1544 CB SER A 94 5.738 19.529 -6.868 1.00 0.00 C ATOM 1545 OG SER A 94 6.544 19.202 -7.992 1.00 0.00 O ATOM 0 H SER A 94 6.731 17.502 -5.958 1.00 0.00 H new ATOM 0 HA SER A 94 7.348 20.406 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.958 18.779 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.238 20.484 -7.030 1.00 0.00 H new ATOM 0 HG SER A 94 5.983 19.153 -8.794 1.00 0.00 H new ATOM 1551 N LYS A 95 5.746 18.950 -3.446 1.00 0.00 N ATOM 1552 CA LYS A 95 4.948 19.168 -2.206 1.00 0.00 C ATOM 1553 C LYS A 95 5.883 19.167 -0.991 1.00 0.00 C ATOM 1554 O LYS A 95 6.720 18.296 -0.859 1.00 0.00 O ATOM 1555 CB LYS A 95 3.978 17.988 -2.141 1.00 0.00 C ATOM 1556 CG LYS A 95 2.589 18.488 -1.742 1.00 0.00 C ATOM 1557 CD LYS A 95 1.619 18.288 -2.908 1.00 0.00 C ATOM 1558 CE LYS A 95 0.484 17.359 -2.474 1.00 0.00 C ATOM 1559 NZ LYS A 95 -0.766 18.082 -2.839 1.00 0.00 N ATOM 0 H LYS A 95 6.250 18.064 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 95 4.418 20.121 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.932 17.488 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.332 17.252 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.235 17.948 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.635 19.543 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.215 19.249 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.144 17.863 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.546 16.396 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.526 17.158 -1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.564 17.415 -2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.948 18.833 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.660 18.504 -3.784 1.00 0.00 H new ATOM 1573 N PRO A 96 5.715 20.144 -0.144 1.00 0.00 N ATOM 1574 CA PRO A 96 6.565 20.251 1.065 1.00 0.00 C ATOM 1575 C PRO A 96 6.256 19.126 2.052 1.00 0.00 C ATOM 1576 O PRO A 96 5.137 18.668 2.165 1.00 0.00 O ATOM 1577 CB PRO A 96 6.200 21.596 1.669 1.00 0.00 C ATOM 1578 CG PRO A 96 4.856 21.937 1.100 1.00 0.00 C ATOM 1579 CD PRO A 96 4.734 21.230 -0.227 1.00 0.00 C ATOM 0 HA PRO A 96 7.626 20.170 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.163 21.541 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.939 22.355 1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.062 21.622 1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.756 23.015 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.726 20.846 -0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.951 21.901 -1.058 1.00 0.00 H new ATOM 1587 N LEU A 97 7.243 18.705 2.787 1.00 0.00 N ATOM 1588 CA LEU A 97 7.029 17.639 3.797 1.00 0.00 C ATOM 1589 C LEU A 97 7.455 18.169 5.159 1.00 0.00 C ATOM 1590 O LEU A 97 8.593 18.541 5.364 1.00 0.00 O ATOM 1591 CB LEU A 97 7.872 16.437 3.361 1.00 0.00 C ATOM 1592 CG LEU A 97 9.219 16.421 4.090 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.015 15.944 5.531 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.174 15.462 3.373 1.00 0.00 C ATOM 0 H LEU A 97 8.198 19.058 2.730 1.00 0.00 H new ATOM 0 HA LEU A 97 5.984 17.337 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.331 15.514 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.037 16.475 2.284 1.00 0.00 H new ATOM 0 HG LEU A 97 9.641 17.426 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.974 15.933 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.332 16.621 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.594 14.939 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.133 15.449 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.749 14.458 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.320 15.795 2.345 1.00 0.00 H new ATOM 1606 N PRO A 98 6.511 18.216 6.028 1.00 0.00 N ATOM 1607 CA PRO A 98 6.736 18.735 7.381 1.00 0.00 C ATOM 1608 C PRO A 98 7.082 17.612 8.358 1.00 0.00 C ATOM 1609 O PRO A 98 6.756 16.461 8.146 1.00 0.00 O ATOM 1610 CB PRO A 98 5.388 19.324 7.687 1.00 0.00 C ATOM 1611 CG PRO A 98 4.430 18.355 7.062 1.00 0.00 C ATOM 1612 CD PRO A 98 5.121 17.796 5.845 1.00 0.00 C ATOM 0 HA PRO A 98 7.566 19.437 7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 98 5.224 19.414 8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.281 20.323 7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.171 17.560 7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.500 18.852 6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.032 16.711 5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.698 18.195 4.923 1.00 0.00 H new ATOM 1620 N GLU A 99 7.745 17.945 9.426 1.00 0.00 N ATOM 1621 CA GLU A 99 8.122 16.908 10.428 1.00 0.00 C ATOM 1622 C GLU A 99 7.289 17.076 11.703 1.00 0.00 C ATOM 1623 O GLU A 99 7.577 17.910 12.538 1.00 0.00 O ATOM 1624 CB GLU A 99 9.602 17.159 10.718 1.00 0.00 C ATOM 1625 CG GLU A 99 10.031 16.337 11.935 1.00 0.00 C ATOM 1626 CD GLU A 99 10.582 17.271 13.014 1.00 0.00 C ATOM 1627 OE1 GLU A 99 11.155 18.286 12.655 1.00 0.00 O ATOM 1628 OE2 GLU A 99 10.422 16.955 14.181 1.00 0.00 O ATOM 0 H GLU A 99 8.044 18.894 9.651 1.00 0.00 H new ATOM 0 HA GLU A 99 7.943 15.896 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.204 16.887 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.772 18.219 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.182 15.775 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.790 15.610 11.647 1.00 0.00 H new ATOM 1635 N VAL A 100 6.260 16.288 11.857 1.00 0.00 N ATOM 1636 CA VAL A 100 5.411 16.403 13.078 1.00 0.00 C ATOM 1637 C VAL A 100 6.085 15.700 14.259 1.00 0.00 C ATOM 1638 O VAL A 100 6.724 14.678 14.103 1.00 0.00 O ATOM 1639 CB VAL A 100 4.101 15.706 12.714 1.00 0.00 C ATOM 1640 CG1 VAL A 100 3.551 16.295 11.414 1.00 0.00 C ATOM 1641 CG2 VAL A 100 4.355 14.209 12.528 1.00 0.00 C ATOM 0 H VAL A 100 5.970 15.571 11.192 1.00 0.00 H new ATOM 0 HA VAL A 100 5.252 17.439 13.376 1.00 0.00 H new ATOM 0 HB VAL A 100 3.376 15.856 13.514 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.617 15.797 11.156 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.369 17.362 11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.275 16.147 10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.421 13.711 12.268 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.080 14.060 11.728 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.745 13.788 13.455 1.00 0.00 H new ATOM 1651 N THR A 101 5.946 16.238 15.440 1.00 0.00 N ATOM 1652 CA THR A 101 6.578 15.599 16.629 1.00 0.00 C ATOM 1653 C THR A 101 5.526 14.842 17.445 1.00 0.00 C ATOM 1654 O THR A 101 4.430 15.320 17.656 1.00 0.00 O ATOM 1655 CB THR A 101 7.156 16.759 17.442 1.00 0.00 C ATOM 1656 OG1 THR A 101 6.101 17.444 18.101 1.00 0.00 O ATOM 1657 CG2 THR A 101 7.891 17.723 16.510 1.00 0.00 C ATOM 0 H THR A 101 5.422 17.092 15.633 1.00 0.00 H new ATOM 0 HA THR A 101 7.344 14.875 16.351 1.00 0.00 H new ATOM 0 HB THR A 101 7.856 16.371 18.182 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.469 18.187 18.624 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.302 18.549 17.091 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.701 17.195 16.006 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.195 18.113 15.768 1.00 0.00 H new ATOM 1665 N ASP A 102 5.853 13.665 17.904 1.00 0.00 N ATOM 1666 CA ASP A 102 4.870 12.880 18.706 1.00 0.00 C ATOM 1667 C ASP A 102 4.458 13.666 19.954 1.00 0.00 C ATOM 1668 O ASP A 102 5.287 14.172 20.683 1.00 0.00 O ATOM 1669 CB ASP A 102 5.609 11.600 19.096 1.00 0.00 C ATOM 1670 CG ASP A 102 4.610 10.578 19.638 1.00 0.00 C ATOM 1671 OD1 ASP A 102 3.427 10.876 19.636 1.00 0.00 O ATOM 1672 OD2 ASP A 102 5.043 9.513 20.045 1.00 0.00 O ATOM 0 H ASP A 102 6.756 13.213 17.759 1.00 0.00 H new ATOM 0 HA ASP A 102 3.957 12.669 18.149 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.130 11.191 18.231 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.365 11.820 19.849 1.00 0.00 H new ATOM 1677 N GLU A 103 3.181 13.770 20.205 1.00 0.00 N ATOM 1678 CA GLU A 103 2.717 14.522 21.406 1.00 0.00 C ATOM 1679 C GLU A 103 3.279 15.946 21.388 1.00 0.00 C ATOM 1680 O GLU A 103 2.926 16.712 22.269 1.00 0.00 O ATOM 1681 CB GLU A 103 3.268 13.743 22.600 1.00 0.00 C ATOM 1682 CG GLU A 103 3.081 14.564 23.877 1.00 0.00 C ATOM 1683 CD GLU A 103 2.743 13.629 25.040 1.00 0.00 C ATOM 1684 OE1 GLU A 103 1.598 13.216 25.129 1.00 0.00 O ATOM 1685 OE2 GLU A 103 3.634 13.343 25.822 1.00 0.00 O ATOM 1686 OXT GLU A 103 4.053 16.245 20.494 1.00 0.00 O ATOM 0 H GLU A 103 2.440 13.367 19.631 1.00 0.00 H new ATOM 0 HA GLU A 103 1.631 14.610 21.444 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.754 12.786 22.692 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.325 13.524 22.448 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.990 15.124 24.099 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.283 15.294 23.739 1.00 0.00 H new TER 1693 GLU A 103