USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 8 LYS NZ :NH3+ -133:sc= 0.00125 (180deg=-0.0357) USER MOD Set 1.2: A 74 GLN : amide:sc= 0.504 K(o=0.51,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -116:sc= -0.172 (180deg=-2.92!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 14 THR OG1 : rot 109:sc= -4.3! USER MOD Single : A 15 ASN : amide:sc= -6.84! C(o=-6.8!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 20 SER OG : rot 28:sc= 1.05 USER MOD Single : A 21 MET CE :methyl -106:sc= -1.14 (180deg=-1.7!) USER MOD Single : A 23 THR OG1 : rot 23:sc= -1.55! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.616 USER MOD Single : A 28 THR OG1 : rot -120:sc= -1.99 USER MOD Single : A 29 THR OG1 : rot 153:sc= 0.537 USER MOD Single : A 34 GLN : amide:sc= 0.358 K(o=0.36,f=-1.2) USER MOD Single : A 36 SER OG : rot -110:sc= -0.278 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.93! C(o=-4.9!,f=-12!) USER MOD Single : A 49 CYS SG : rot 170:sc= -0.945 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.817 K(o=-0.82,f=-2.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 10.798 10.969 -5.063 1.00 0.00 N ATOM 24 CA GLU A 7 9.559 10.432 -4.512 1.00 0.00 C ATOM 25 C GLU A 7 9.681 10.218 -3.005 1.00 0.00 C ATOM 26 O GLU A 7 10.679 10.604 -2.397 1.00 0.00 O ATOM 27 CB GLU A 7 9.194 9.119 -5.208 1.00 0.00 C ATOM 28 CG GLU A 7 10.350 8.141 -5.327 1.00 0.00 C ATOM 29 CD GLU A 7 10.416 7.480 -6.689 1.00 0.00 C ATOM 30 OE1 GLU A 7 11.002 8.082 -7.615 1.00 0.00 O ATOM 31 OE2 GLU A 7 9.881 6.361 -6.833 1.00 0.00 O ATOM 0 HA GLU A 7 8.764 11.157 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.383 8.642 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.815 9.341 -6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.286 8.666 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.252 7.374 -4.559 1.00 0.00 H new ATOM 38 N LYS A 8 8.661 9.608 -2.404 1.00 0.00 N ATOM 39 CA LYS A 8 8.665 9.356 -0.972 1.00 0.00 C ATOM 40 C LYS A 8 9.003 7.902 -0.667 1.00 0.00 C ATOM 41 O LYS A 8 8.822 7.019 -1.506 1.00 0.00 O ATOM 42 CB LYS A 8 7.307 9.716 -0.365 1.00 0.00 C ATOM 43 CG LYS A 8 6.175 8.799 -0.803 1.00 0.00 C ATOM 44 CD LYS A 8 5.033 9.581 -1.434 1.00 0.00 C ATOM 45 CE LYS A 8 3.711 8.842 -1.297 1.00 0.00 C ATOM 46 NZ LYS A 8 2.578 9.610 -1.884 1.00 0.00 N ATOM 0 H LYS A 8 7.825 9.281 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 8 9.435 9.985 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.386 9.686 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.058 10.741 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.554 8.068 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.804 8.242 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.955 10.560 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.247 9.753 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.785 7.872 -1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.511 8.650 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.781 9.617 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.881 10.587 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.280 9.163 -2.774 1.00 0.00 H new ATOM 60 N LYS A 9 9.486 7.663 0.547 1.00 0.00 N ATOM 61 CA LYS A 9 9.844 6.321 0.982 1.00 0.00 C ATOM 62 C LYS A 9 8.908 5.860 2.093 1.00 0.00 C ATOM 63 O LYS A 9 8.598 6.621 3.009 1.00 0.00 O ATOM 64 CB LYS A 9 11.296 6.286 1.466 1.00 0.00 C ATOM 65 CG LYS A 9 11.727 4.932 2.006 1.00 0.00 C ATOM 66 CD LYS A 9 11.835 4.941 3.523 1.00 0.00 C ATOM 67 CE LYS A 9 13.119 4.279 3.998 1.00 0.00 C ATOM 68 NZ LYS A 9 12.864 2.952 4.625 1.00 0.00 N ATOM 0 H LYS A 9 9.639 8.386 1.250 1.00 0.00 H new ATOM 0 HA LYS A 9 9.744 5.643 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.952 6.564 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.428 7.037 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.010 4.172 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.689 4.657 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.800 5.969 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.978 4.423 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.798 4.157 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.618 4.929 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.135 2.984 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.853 2.720 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.425 2.224 4.138 1.00 0.00 H new ATOM 82 N ILE A 10 8.452 4.619 2.000 1.00 0.00 N ATOM 83 CA ILE A 10 7.539 4.071 2.996 1.00 0.00 C ATOM 84 C ILE A 10 7.909 2.635 3.353 1.00 0.00 C ATOM 85 O ILE A 10 8.659 1.980 2.630 1.00 0.00 O ATOM 86 CB ILE A 10 6.073 4.119 2.507 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.945 5.032 1.277 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.163 4.594 3.631 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.519 5.394 0.920 1.00 0.00 C ATOM 0 H ILE A 10 8.697 3.974 1.249 1.00 0.00 H new ATOM 0 HA ILE A 10 7.631 4.693 3.886 1.00 0.00 H new ATOM 0 HB ILE A 10 5.766 3.115 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.506 5.949 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.408 4.539 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.133 4.624 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.237 3.907 4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.467 5.591 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.516 6.040 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.956 4.486 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.056 5.918 1.757 1.00 0.00 H new ATOM 101 N ARG A 11 7.383 2.154 4.476 1.00 0.00 N ATOM 102 CA ARG A 11 7.666 0.796 4.927 1.00 0.00 C ATOM 103 C ARG A 11 6.512 -0.141 4.588 1.00 0.00 C ATOM 104 O ARG A 11 5.382 0.301 4.383 1.00 0.00 O ATOM 105 CB ARG A 11 7.926 0.776 6.435 1.00 0.00 C ATOM 106 CG ARG A 11 8.316 -0.596 6.965 1.00 0.00 C ATOM 107 CD ARG A 11 8.517 -0.583 8.471 1.00 0.00 C ATOM 108 NE ARG A 11 9.788 0.031 8.852 1.00 0.00 N ATOM 109 CZ ARG A 11 9.909 1.272 9.325 1.00 0.00 C ATOM 110 NH1 ARG A 11 8.843 2.050 9.465 1.00 0.00 N ATOM 111 NH2 ARG A 11 11.106 1.738 9.654 1.00 0.00 N ATOM 0 H ARG A 11 6.761 2.682 5.088 1.00 0.00 H new ATOM 0 HA ARG A 11 8.559 0.449 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.719 1.486 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.030 1.117 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.541 -1.319 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.234 -0.926 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.697 -0.039 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.481 -1.604 8.850 1.00 0.00 H new ATOM 0 HE ARG A 11 10.637 -0.526 8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.919 1.700 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.947 2.998 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.931 1.148 9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.202 2.687 10.016 1.00 0.00 H new ATOM 125 N ILE A 12 6.804 -1.435 4.534 1.00 0.00 N ATOM 126 CA ILE A 12 5.791 -2.433 4.225 1.00 0.00 C ATOM 127 C ILE A 12 5.946 -3.662 5.108 1.00 0.00 C ATOM 128 O ILE A 12 7.057 -4.023 5.498 1.00 0.00 O ATOM 129 CB ILE A 12 5.857 -2.890 2.755 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.808 -1.692 1.803 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.717 -3.855 2.465 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.465 -1.960 0.464 1.00 0.00 C ATOM 0 H ILE A 12 7.735 -1.817 4.701 1.00 0.00 H new ATOM 0 HA ILE A 12 4.829 -1.954 4.409 1.00 0.00 H new ATOM 0 HB ILE A 12 6.805 -3.402 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.768 -1.410 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.298 -0.841 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.767 -4.176 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.801 -4.724 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.764 -3.357 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.394 -1.070 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.514 -2.213 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.960 -2.791 -0.029 1.00 0.00 H new ATOM 144 N THR A 13 4.829 -4.313 5.405 1.00 0.00 N ATOM 145 CA THR A 13 4.848 -5.513 6.225 1.00 0.00 C ATOM 146 C THR A 13 3.692 -6.438 5.876 1.00 0.00 C ATOM 147 O THR A 13 2.528 -6.063 5.997 1.00 0.00 O ATOM 148 CB THR A 13 4.797 -5.152 7.704 1.00 0.00 C ATOM 149 OG1 THR A 13 5.423 -3.904 7.942 1.00 0.00 O ATOM 150 CG2 THR A 13 5.475 -6.183 8.568 1.00 0.00 C ATOM 0 H THR A 13 3.901 -4.030 5.090 1.00 0.00 H new ATOM 0 HA THR A 13 5.781 -6.039 6.020 1.00 0.00 H new ATOM 0 HB THR A 13 3.740 -5.106 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.377 -3.692 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.412 -5.880 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.982 -7.147 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.522 -6.269 8.278 1.00 0.00 H new ATOM 158 N THR A 14 4.016 -7.653 5.444 1.00 0.00 N ATOM 159 CA THR A 14 2.990 -8.621 5.079 1.00 0.00 C ATOM 160 C THR A 14 2.654 -9.532 6.250 1.00 0.00 C ATOM 161 O THR A 14 3.527 -9.902 7.045 1.00 0.00 O ATOM 162 CB THR A 14 3.413 -9.460 3.872 1.00 0.00 C ATOM 163 OG1 THR A 14 4.056 -10.651 4.284 1.00 0.00 O ATOM 164 CG2 THR A 14 4.340 -8.737 2.920 1.00 0.00 C ATOM 0 H THR A 14 4.974 -7.988 5.339 1.00 0.00 H new ATOM 0 HA THR A 14 2.099 -8.055 4.808 1.00 0.00 H new ATOM 0 HB THR A 14 2.485 -9.677 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.470 -11.417 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.596 -9.396 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.844 -7.846 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.249 -8.448 3.447 1.00 0.00 H new ATOM 172 N ASN A 15 1.376 -9.886 6.333 1.00 0.00 N ATOM 173 CA ASN A 15 0.864 -10.750 7.391 1.00 0.00 C ATOM 174 C ASN A 15 1.679 -12.032 7.515 1.00 0.00 C ATOM 175 O ASN A 15 1.744 -12.633 8.587 1.00 0.00 O ATOM 176 CB ASN A 15 -0.605 -11.092 7.127 1.00 0.00 C ATOM 177 CG ASN A 15 -0.842 -11.561 5.704 1.00 0.00 C ATOM 178 OD1 ASN A 15 0.044 -11.476 4.855 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.044 -12.058 5.436 1.00 0.00 N ATOM 0 H ASN A 15 0.665 -9.582 5.668 1.00 0.00 H new ATOM 0 HA ASN A 15 0.949 -10.206 8.332 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.925 -11.869 7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.221 -10.215 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.261 -12.388 4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.750 -12.110 6.171 1.00 0.00 H new ATOM 186 N ASP A 16 2.303 -12.448 6.418 1.00 0.00 N ATOM 187 CA ASP A 16 3.112 -13.661 6.429 1.00 0.00 C ATOM 188 C ASP A 16 4.247 -13.547 7.444 1.00 0.00 C ATOM 189 O ASP A 16 4.821 -14.552 7.863 1.00 0.00 O ATOM 190 CB ASP A 16 3.674 -13.944 5.036 1.00 0.00 C ATOM 191 CG ASP A 16 3.505 -15.397 4.636 1.00 0.00 C ATOM 192 OD1 ASP A 16 3.566 -16.270 5.527 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.312 -15.661 3.431 1.00 0.00 O ATOM 0 H ASP A 16 2.265 -11.969 5.518 1.00 0.00 H new ATOM 0 HA ASP A 16 2.471 -14.493 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.172 -13.307 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.732 -13.683 5.013 1.00 0.00 H new ATOM 198 N GLY A 17 4.567 -12.315 7.836 1.00 0.00 N ATOM 199 CA GLY A 17 5.627 -12.094 8.798 1.00 0.00 C ATOM 200 C GLY A 17 6.860 -11.486 8.164 1.00 0.00 C ATOM 201 O GLY A 17 7.980 -11.723 8.616 1.00 0.00 O ATOM 0 H GLY A 17 4.109 -11.467 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.266 -11.436 9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.892 -13.041 9.267 1.00 0.00 H new ATOM 205 N ARG A 18 6.655 -10.706 7.106 1.00 0.00 N ATOM 206 CA ARG A 18 7.769 -10.072 6.408 1.00 0.00 C ATOM 207 C ARG A 18 7.523 -8.579 6.214 1.00 0.00 C ATOM 208 O ARG A 18 6.384 -8.120 6.261 1.00 0.00 O ATOM 209 CB ARG A 18 7.981 -10.739 5.052 1.00 0.00 C ATOM 210 CG ARG A 18 6.786 -10.611 4.131 1.00 0.00 C ATOM 211 CD ARG A 18 7.016 -11.345 2.826 1.00 0.00 C ATOM 212 NE ARG A 18 6.860 -12.787 2.983 1.00 0.00 N ATOM 213 CZ ARG A 18 5.733 -13.444 2.724 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.628 -12.782 2.399 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.701 -14.766 2.821 1.00 0.00 N ATOM 0 H ARG A 18 5.736 -10.499 6.716 1.00 0.00 H new ATOM 0 HA ARG A 18 8.663 -10.194 7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.853 -10.297 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.203 -11.795 5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.900 -11.010 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.591 -9.558 3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.313 -10.983 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.018 -11.125 2.457 1.00 0.00 H new ATOM 0 HE ARG A 18 7.663 -13.323 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.640 -11.763 2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.767 -13.292 2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.540 -15.278 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.837 -15.271 2.623 1.00 0.00 H new ATOM 229 N GLN A 19 8.599 -7.830 5.988 1.00 0.00 N ATOM 230 CA GLN A 19 8.496 -6.388 5.779 1.00 0.00 C ATOM 231 C GLN A 19 9.585 -5.890 4.835 1.00 0.00 C ATOM 232 O GLN A 19 10.633 -6.520 4.688 1.00 0.00 O ATOM 233 CB GLN A 19 8.582 -5.634 7.111 1.00 0.00 C ATOM 234 CG GLN A 19 9.420 -6.336 8.169 1.00 0.00 C ATOM 235 CD GLN A 19 10.370 -5.392 8.882 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.568 -5.655 8.979 1.00 0.00 O ATOM 237 NE2 GLN A 19 9.838 -4.283 9.384 1.00 0.00 N ATOM 0 H GLN A 19 9.550 -8.196 5.945 1.00 0.00 H new ATOM 0 HA GLN A 19 7.524 -6.193 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.000 -4.644 6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.574 -5.488 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.759 -6.802 8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.993 -7.137 7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.839 -4.104 9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.428 -3.610 9.873 1.00 0.00 H new ATOM 246 N SER A 20 9.326 -4.752 4.199 1.00 0.00 N ATOM 247 CA SER A 20 10.277 -4.159 3.267 1.00 0.00 C ATOM 248 C SER A 20 9.924 -2.700 2.986 1.00 0.00 C ATOM 249 O SER A 20 8.765 -2.301 3.089 1.00 0.00 O ATOM 250 CB SER A 20 10.303 -4.950 1.959 1.00 0.00 C ATOM 251 OG SER A 20 11.194 -6.050 2.045 1.00 0.00 O ATOM 0 H SER A 20 8.463 -4.221 4.313 1.00 0.00 H new ATOM 0 HA SER A 20 11.266 -4.195 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.300 -5.308 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.605 -4.296 1.141 1.00 0.00 H new ATOM 0 HG SER A 20 11.260 -6.346 2.977 1.00 0.00 H new ATOM 257 N MET A 21 10.931 -1.911 2.630 1.00 0.00 N ATOM 258 CA MET A 21 10.728 -0.497 2.332 1.00 0.00 C ATOM 259 C MET A 21 10.618 -0.271 0.833 1.00 0.00 C ATOM 260 O MET A 21 11.022 -1.115 0.034 1.00 0.00 O ATOM 261 CB MET A 21 11.865 0.347 2.922 1.00 0.00 C ATOM 262 CG MET A 21 13.172 0.277 2.140 1.00 0.00 C ATOM 263 SD MET A 21 14.191 -1.135 2.604 1.00 0.00 S ATOM 264 CE MET A 21 13.903 -2.229 1.214 1.00 0.00 C ATOM 0 H MET A 21 11.897 -2.226 2.540 1.00 0.00 H new ATOM 0 HA MET A 21 9.791 -0.184 2.793 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.541 1.387 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.050 0.021 3.945 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.950 0.224 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.736 1.195 2.302 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.247 -3.043 1.522 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.434 -1.672 0.403 1.00 0.00 H new ATOM 0 HE3 MET A 21 14.853 -2.638 0.870 1.00 0.00 H new ATOM 274 N VAL A 22 10.060 0.870 0.458 1.00 0.00 N ATOM 275 CA VAL A 22 9.886 1.202 -0.945 1.00 0.00 C ATOM 276 C VAL A 22 10.040 2.698 -1.189 1.00 0.00 C ATOM 277 O VAL A 22 10.137 3.488 -0.249 1.00 0.00 O ATOM 278 CB VAL A 22 8.504 0.756 -1.446 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.465 -0.751 -1.643 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.419 1.205 -0.484 1.00 0.00 C ATOM 0 H VAL A 22 9.721 1.580 1.106 1.00 0.00 H new ATOM 0 HA VAL A 22 10.664 0.672 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 22 8.319 1.227 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.478 -1.046 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.216 -1.042 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.673 -1.247 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.447 0.880 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.598 0.766 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.432 2.292 -0.403 1.00 0.00 H new ATOM 290 N THR A 23 10.060 3.077 -2.461 1.00 0.00 N ATOM 291 CA THR A 23 10.199 4.475 -2.847 1.00 0.00 C ATOM 292 C THR A 23 8.946 4.955 -3.577 1.00 0.00 C ATOM 293 O THR A 23 9.027 5.566 -4.642 1.00 0.00 O ATOM 294 CB THR A 23 11.429 4.648 -3.739 1.00 0.00 C ATOM 295 OG1 THR A 23 11.771 6.016 -3.870 1.00 0.00 O ATOM 296 CG2 THR A 23 11.236 4.082 -5.128 1.00 0.00 C ATOM 0 H THR A 23 9.981 2.431 -3.247 1.00 0.00 H new ATOM 0 HA THR A 23 10.325 5.077 -1.947 1.00 0.00 H new ATOM 0 HB THR A 23 12.227 4.095 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.409 6.518 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.143 4.235 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.024 3.015 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.401 4.587 -5.614 1.00 0.00 H new ATOM 304 N LEU A 24 7.788 4.662 -2.995 1.00 0.00 N ATOM 305 CA LEU A 24 6.503 5.045 -3.577 1.00 0.00 C ATOM 306 C LEU A 24 6.539 6.460 -4.152 1.00 0.00 C ATOM 307 O LEU A 24 7.006 7.395 -3.504 1.00 0.00 O ATOM 308 CB LEU A 24 5.398 4.940 -2.523 1.00 0.00 C ATOM 309 CG LEU A 24 4.165 4.148 -2.956 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.542 2.716 -3.303 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.107 4.172 -1.863 1.00 0.00 C ATOM 0 H LEU A 24 7.711 4.156 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 24 6.294 4.358 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.813 4.476 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.085 5.946 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 24 3.751 4.618 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.650 2.169 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.264 2.718 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.982 2.234 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.236 3.603 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.513 3.727 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.814 5.203 -1.663 1.00 0.00 H new ATOM 323 N LYS A 25 6.042 6.605 -5.376 1.00 0.00 N ATOM 324 CA LYS A 25 6.012 7.898 -6.047 1.00 0.00 C ATOM 325 C LYS A 25 4.964 8.813 -5.419 1.00 0.00 C ATOM 326 O LYS A 25 3.953 8.347 -4.895 1.00 0.00 O ATOM 327 CB LYS A 25 5.723 7.713 -7.539 1.00 0.00 C ATOM 328 CG LYS A 25 6.848 8.198 -8.441 1.00 0.00 C ATOM 329 CD LYS A 25 6.337 9.150 -9.513 1.00 0.00 C ATOM 330 CE LYS A 25 5.644 10.359 -8.903 1.00 0.00 C ATOM 331 NZ LYS A 25 6.340 11.630 -9.245 1.00 0.00 N ATOM 0 H LYS A 25 5.653 5.838 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 25 6.990 8.366 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.539 6.657 -7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.808 8.249 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.606 8.700 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.330 7.342 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.170 9.482 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.642 8.623 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.614 10.403 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.605 10.247 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.836 12.429 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.316 11.599 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.355 11.751 -10.278 1.00 0.00 H new ATOM 345 N SER A 26 5.214 10.118 -5.475 1.00 0.00 N ATOM 346 CA SER A 26 4.292 11.100 -4.912 1.00 0.00 C ATOM 347 C SER A 26 2.896 10.941 -5.506 1.00 0.00 C ATOM 348 O SER A 26 1.894 11.020 -4.794 1.00 0.00 O ATOM 349 CB SER A 26 4.808 12.518 -5.162 1.00 0.00 C ATOM 350 OG SER A 26 5.678 12.936 -4.125 1.00 0.00 O ATOM 0 H SER A 26 6.047 10.520 -5.904 1.00 0.00 H new ATOM 0 HA SER A 26 4.230 10.928 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.332 12.554 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.966 13.207 -5.234 1.00 0.00 H new ATOM 0 HG SER A 26 5.995 13.845 -4.310 1.00 0.00 H new ATOM 356 N SER A 27 2.837 10.716 -6.814 1.00 0.00 N ATOM 357 CA SER A 27 1.564 10.545 -7.504 1.00 0.00 C ATOM 358 C SER A 27 1.250 9.064 -7.695 1.00 0.00 C ATOM 359 O SER A 27 0.710 8.662 -8.726 1.00 0.00 O ATOM 360 CB SER A 27 1.594 11.252 -8.861 1.00 0.00 C ATOM 361 OG SER A 27 2.371 10.525 -9.798 1.00 0.00 O ATOM 0 H SER A 27 3.656 10.648 -7.418 1.00 0.00 H new ATOM 0 HA SER A 27 0.781 10.991 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.578 11.366 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.005 12.255 -8.743 1.00 0.00 H new ATOM 0 HG SER A 27 2.373 10.996 -10.657 1.00 0.00 H new ATOM 367 N THR A 28 1.594 8.258 -6.696 1.00 0.00 N ATOM 368 CA THR A 28 1.352 6.822 -6.753 1.00 0.00 C ATOM 369 C THR A 28 -0.020 6.476 -6.184 1.00 0.00 C ATOM 370 O THR A 28 -0.240 6.556 -4.977 1.00 0.00 O ATOM 371 CB THR A 28 2.444 6.073 -5.979 1.00 0.00 C ATOM 372 OG1 THR A 28 3.663 6.081 -6.701 1.00 0.00 O ATOM 373 CG2 THR A 28 2.097 4.627 -5.684 1.00 0.00 C ATOM 0 H THR A 28 2.042 8.576 -5.836 1.00 0.00 H new ATOM 0 HA THR A 28 1.377 6.514 -7.798 1.00 0.00 H new ATOM 0 HB THR A 28 2.537 6.604 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.937 5.159 -6.891 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.915 4.161 -5.135 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.188 4.586 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.938 4.093 -6.621 1.00 0.00 H new ATOM 381 N THR A 29 -0.936 6.077 -7.060 1.00 0.00 N ATOM 382 CA THR A 29 -2.280 5.702 -6.637 1.00 0.00 C ATOM 383 C THR A 29 -2.297 4.256 -6.154 1.00 0.00 C ATOM 384 O THR A 29 -1.294 3.551 -6.255 1.00 0.00 O ATOM 385 CB THR A 29 -3.271 5.890 -7.787 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.577 5.499 -7.394 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.906 5.105 -9.029 1.00 0.00 C ATOM 0 H THR A 29 -0.773 6.005 -8.064 1.00 0.00 H new ATOM 0 HA THR A 29 -2.579 6.349 -5.812 1.00 0.00 H new ATOM 0 HB THR A 29 -3.234 6.952 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.239 5.994 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.651 5.284 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.926 5.423 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.878 4.041 -8.792 1.00 0.00 H new ATOM 395 N PHE A 30 -3.438 3.819 -5.628 1.00 0.00 N ATOM 396 CA PHE A 30 -3.577 2.453 -5.126 1.00 0.00 C ATOM 397 C PHE A 30 -3.000 1.439 -6.112 1.00 0.00 C ATOM 398 O PHE A 30 -2.390 0.448 -5.711 1.00 0.00 O ATOM 399 CB PHE A 30 -5.046 2.131 -4.854 1.00 0.00 C ATOM 400 CG PHE A 30 -5.258 0.771 -4.252 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.853 0.504 -2.954 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.859 -0.240 -4.985 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.045 -0.746 -2.397 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.054 -1.492 -4.433 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.646 -1.746 -3.138 1.00 0.00 C ATOM 0 H PHE A 30 -4.279 4.389 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.016 2.384 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.457 2.885 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.604 2.197 -5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.382 1.282 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.178 -0.047 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.726 -0.941 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.525 -2.271 -5.014 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.796 -2.724 -2.705 1.00 0.00 H new ATOM 415 N PHE A 31 -3.191 1.697 -7.402 1.00 0.00 N ATOM 416 CA PHE A 31 -2.683 0.808 -8.440 1.00 0.00 C ATOM 417 C PHE A 31 -1.159 0.839 -8.477 1.00 0.00 C ATOM 418 O PHE A 31 -0.506 -0.204 -8.457 1.00 0.00 O ATOM 419 CB PHE A 31 -3.246 1.207 -9.805 1.00 0.00 C ATOM 420 CG PHE A 31 -4.745 1.306 -9.832 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.527 0.291 -9.307 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.369 2.413 -10.383 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.907 0.379 -9.331 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.747 2.506 -10.411 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.517 1.487 -9.884 1.00 0.00 C ATOM 0 H PHE A 31 -3.693 2.513 -7.753 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.005 -0.207 -8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.822 2.168 -10.097 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.925 0.477 -10.548 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.054 -0.578 -8.874 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.771 3.213 -10.795 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.507 -0.418 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.222 3.374 -10.844 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.595 1.557 -9.905 1.00 0.00 H new ATOM 435 N GLU A 32 -0.599 2.044 -8.526 1.00 0.00 N ATOM 436 CA GLU A 32 0.847 2.213 -8.561 1.00 0.00 C ATOM 437 C GLU A 32 1.489 1.618 -7.311 1.00 0.00 C ATOM 438 O GLU A 32 2.618 1.130 -7.353 1.00 0.00 O ATOM 439 CB GLU A 32 1.207 3.695 -8.681 1.00 0.00 C ATOM 440 CG GLU A 32 1.195 4.209 -10.111 1.00 0.00 C ATOM 441 CD GLU A 32 2.555 4.706 -10.566 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.336 3.890 -11.100 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.837 5.908 -10.387 1.00 0.00 O ATOM 0 H GLU A 32 -1.126 2.917 -8.542 1.00 0.00 H new ATOM 0 HA GLU A 32 1.231 1.685 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.505 4.280 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.197 3.856 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.863 3.412 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.470 5.018 -10.196 1.00 0.00 H new ATOM 450 N LEU A 33 0.758 1.659 -6.202 1.00 0.00 N ATOM 451 CA LEU A 33 1.252 1.119 -4.941 1.00 0.00 C ATOM 452 C LEU A 33 1.302 -0.403 -4.995 1.00 0.00 C ATOM 453 O LEU A 33 2.281 -1.018 -4.572 1.00 0.00 O ATOM 454 CB LEU A 33 0.362 1.581 -3.782 1.00 0.00 C ATOM 455 CG LEU A 33 0.569 0.836 -2.459 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.036 0.838 -2.066 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.280 1.456 -1.360 1.00 0.00 C ATOM 0 H LEU A 33 -0.178 2.060 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 33 2.263 1.492 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.537 2.643 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.681 1.473 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 33 0.254 -0.199 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.161 0.304 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.621 0.346 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.380 1.866 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.120 0.914 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.004 2.500 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.333 1.399 -1.637 1.00 0.00 H new ATOM 469 N GLN A 34 0.241 -1.006 -5.522 1.00 0.00 N ATOM 470 CA GLN A 34 0.165 -2.458 -5.636 1.00 0.00 C ATOM 471 C GLN A 34 1.317 -2.999 -6.477 1.00 0.00 C ATOM 472 O GLN A 34 1.749 -4.138 -6.299 1.00 0.00 O ATOM 473 CB GLN A 34 -1.171 -2.873 -6.254 1.00 0.00 C ATOM 474 CG GLN A 34 -2.379 -2.439 -5.440 1.00 0.00 C ATOM 475 CD GLN A 34 -2.981 -3.576 -4.638 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.175 -3.860 -4.740 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.155 -4.234 -3.833 1.00 0.00 N ATOM 0 H GLN A 34 -0.578 -0.512 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 34 0.241 -2.880 -4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.246 -2.448 -7.255 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.189 -3.957 -6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.087 -1.637 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.136 -2.031 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.173 -3.965 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.503 -5.009 -3.268 1.00 0.00 H new ATOM 486 N GLU A 35 1.812 -2.172 -7.394 1.00 0.00 N ATOM 487 CA GLU A 35 2.915 -2.565 -8.264 1.00 0.00 C ATOM 488 C GLU A 35 4.252 -2.464 -7.533 1.00 0.00 C ATOM 489 O GLU A 35 5.204 -3.170 -7.862 1.00 0.00 O ATOM 490 CB GLU A 35 2.936 -1.689 -9.518 1.00 0.00 C ATOM 491 CG GLU A 35 3.967 -2.124 -10.546 1.00 0.00 C ATOM 492 CD GLU A 35 3.373 -2.301 -11.930 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.586 -1.429 -12.354 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.695 -3.312 -12.590 1.00 0.00 O ATOM 0 H GLU A 35 1.466 -1.226 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 35 2.763 -3.604 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.948 -1.704 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.137 -0.658 -9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.766 -1.384 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.420 -3.063 -10.226 1.00 0.00 H new ATOM 501 N SER A 36 4.314 -1.582 -6.539 1.00 0.00 N ATOM 502 CA SER A 36 5.532 -1.393 -5.762 1.00 0.00 C ATOM 503 C SER A 36 5.764 -2.575 -4.830 1.00 0.00 C ATOM 504 O SER A 36 6.828 -3.194 -4.848 1.00 0.00 O ATOM 505 CB SER A 36 5.450 -0.097 -4.952 1.00 0.00 C ATOM 506 OG SER A 36 4.921 0.960 -5.733 1.00 0.00 O ATOM 0 H SER A 36 3.535 -0.988 -6.254 1.00 0.00 H new ATOM 0 HA SER A 36 6.371 -1.326 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.824 -0.253 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.443 0.174 -4.592 1.00 0.00 H new ATOM 0 HG SER A 36 5.628 1.612 -5.922 1.00 0.00 H new ATOM 512 N ILE A 37 4.757 -2.889 -4.020 1.00 0.00 N ATOM 513 CA ILE A 37 4.849 -4.003 -3.086 1.00 0.00 C ATOM 514 C ILE A 37 5.104 -5.307 -3.830 1.00 0.00 C ATOM 515 O ILE A 37 5.829 -6.178 -3.350 1.00 0.00 O ATOM 516 CB ILE A 37 3.563 -4.145 -2.249 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.195 -2.807 -1.604 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.738 -5.223 -1.188 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.744 -2.424 -1.798 1.00 0.00 C ATOM 0 H ILE A 37 3.869 -2.387 -3.993 1.00 0.00 H new ATOM 0 HA ILE A 37 5.683 -3.793 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 37 2.749 -4.442 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.410 -2.855 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.828 -2.025 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.821 -5.312 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.955 -6.176 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.563 -4.954 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.553 -1.465 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.528 -2.343 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.104 -3.187 -1.355 1.00 0.00 H new ATOM 531 N ALA A 38 4.510 -5.429 -5.012 1.00 0.00 N ATOM 532 CA ALA A 38 4.681 -6.621 -5.831 1.00 0.00 C ATOM 533 C ALA A 38 6.154 -6.847 -6.160 1.00 0.00 C ATOM 534 O ALA A 38 6.555 -7.951 -6.529 1.00 0.00 O ATOM 535 CB ALA A 38 3.859 -6.509 -7.106 1.00 0.00 C ATOM 0 H ALA A 38 3.906 -4.717 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 38 4.326 -7.481 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.997 -7.407 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.805 -6.401 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.185 -5.638 -7.674 1.00 0.00 H new ATOM 541 N ARG A 39 6.958 -5.795 -6.018 1.00 0.00 N ATOM 542 CA ARG A 39 8.385 -5.882 -6.293 1.00 0.00 C ATOM 543 C ARG A 39 9.148 -6.257 -5.029 1.00 0.00 C ATOM 544 O ARG A 39 9.886 -7.242 -5.001 1.00 0.00 O ATOM 545 CB ARG A 39 8.910 -4.550 -6.833 1.00 0.00 C ATOM 546 CG ARG A 39 7.961 -3.864 -7.802 1.00 0.00 C ATOM 547 CD ARG A 39 8.720 -3.181 -8.927 1.00 0.00 C ATOM 548 NE ARG A 39 7.875 -2.259 -9.682 1.00 0.00 N ATOM 549 CZ ARG A 39 8.299 -1.555 -10.729 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.553 -1.668 -11.149 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.468 -0.736 -11.360 1.00 0.00 N ATOM 0 H ARG A 39 6.643 -4.874 -5.714 1.00 0.00 H new ATOM 0 HA ARG A 39 8.539 -6.655 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.105 -3.881 -5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.863 -4.722 -7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.271 -4.597 -8.219 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.360 -3.129 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.569 -2.637 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.124 -3.936 -9.601 1.00 0.00 H new ATOM 0 HE ARG A 39 6.904 -2.148 -9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.197 -2.297 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.873 -1.126 -11.952 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.503 -0.645 -11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.794 -0.197 -12.162 1.00 0.00 H new ATOM 565 N GLU A 40 8.962 -5.457 -3.984 1.00 0.00 N ATOM 566 CA GLU A 40 9.627 -5.690 -2.709 1.00 0.00 C ATOM 567 C GLU A 40 9.284 -7.067 -2.151 1.00 0.00 C ATOM 568 O GLU A 40 10.087 -7.681 -1.448 1.00 0.00 O ATOM 569 CB GLU A 40 9.233 -4.606 -1.703 1.00 0.00 C ATOM 570 CG GLU A 40 10.297 -3.539 -1.509 1.00 0.00 C ATOM 571 CD GLU A 40 10.781 -2.949 -2.821 1.00 0.00 C ATOM 572 OE1 GLU A 40 9.976 -2.880 -3.773 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.964 -2.558 -2.895 1.00 0.00 O ATOM 0 H GLU A 40 8.353 -4.639 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 40 10.703 -5.650 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.311 -4.131 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.021 -5.074 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.896 -2.742 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.144 -3.969 -0.974 1.00 0.00 H new ATOM 580 N PHE A 41 8.083 -7.546 -2.462 1.00 0.00 N ATOM 581 CA PHE A 41 7.634 -8.848 -1.983 1.00 0.00 C ATOM 582 C PHE A 41 7.350 -9.793 -3.146 1.00 0.00 C ATOM 583 O PHE A 41 7.614 -9.467 -4.303 1.00 0.00 O ATOM 584 CB PHE A 41 6.386 -8.686 -1.116 1.00 0.00 C ATOM 585 CG PHE A 41 6.583 -7.746 0.038 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.466 -6.377 -0.138 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.887 -8.231 1.299 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.649 -5.510 0.922 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.072 -7.371 2.363 1.00 0.00 C ATOM 590 CZ PHE A 41 6.952 -6.007 2.174 1.00 0.00 C ATOM 0 H PHE A 41 7.405 -7.053 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 41 8.432 -9.284 -1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.566 -8.323 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.088 -9.662 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.229 -5.983 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.981 -9.296 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.555 -4.445 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.310 -7.763 3.341 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.095 -5.331 3.004 1.00 0.00 H new ATOM 600 N ASN A 42 6.816 -10.969 -2.828 1.00 0.00 N ATOM 601 CA ASN A 42 6.504 -11.965 -3.846 1.00 0.00 C ATOM 602 C ASN A 42 4.997 -12.166 -3.984 1.00 0.00 C ATOM 603 O ASN A 42 4.522 -13.293 -4.120 1.00 0.00 O ATOM 604 CB ASN A 42 7.178 -13.296 -3.508 1.00 0.00 C ATOM 605 CG ASN A 42 8.646 -13.129 -3.166 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.097 -13.543 -2.097 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.399 -12.520 -4.072 1.00 0.00 N ATOM 0 H ASN A 42 6.591 -11.254 -1.875 1.00 0.00 H new ATOM 0 HA ASN A 42 6.886 -11.599 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.662 -13.758 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.080 -13.975 -4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.394 -12.379 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.983 -12.193 -4.944 1.00 0.00 H new ATOM 614 N ILE A 43 4.249 -11.067 -3.955 1.00 0.00 N ATOM 615 CA ILE A 43 2.800 -11.129 -4.085 1.00 0.00 C ATOM 616 C ILE A 43 2.310 -10.173 -5.171 1.00 0.00 C ATOM 617 O ILE A 43 2.749 -9.025 -5.243 1.00 0.00 O ATOM 618 CB ILE A 43 2.095 -10.791 -2.757 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.644 -11.665 -1.628 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.590 -10.976 -2.890 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.661 -10.959 -0.762 1.00 0.00 C ATOM 0 H ILE A 43 4.623 -10.125 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 43 2.550 -12.153 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 43 2.292 -9.747 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.816 -12.000 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.100 -12.557 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.108 -10.733 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.210 -10.316 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.372 -12.011 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.008 -11.637 0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.507 -10.647 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.203 -10.083 -0.303 1.00 0.00 H new ATOM 633 N PRO A 44 1.391 -10.635 -6.033 1.00 0.00 N ATOM 634 CA PRO A 44 0.844 -9.816 -7.120 1.00 0.00 C ATOM 635 C PRO A 44 -0.049 -8.691 -6.604 1.00 0.00 C ATOM 636 O PRO A 44 -0.429 -8.677 -5.433 1.00 0.00 O ATOM 637 CB PRO A 44 0.030 -10.814 -7.946 1.00 0.00 C ATOM 638 CG PRO A 44 -0.328 -11.899 -6.991 1.00 0.00 C ATOM 639 CD PRO A 44 0.816 -11.990 -6.017 1.00 0.00 C ATOM 0 HA PRO A 44 1.629 -9.317 -7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.861 -10.346 -8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.611 -11.200 -8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.262 -11.673 -6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.473 -12.845 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.473 -12.269 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.546 -12.739 -6.324 1.00 0.00 H new ATOM 647 N PRO A 45 -0.395 -7.727 -7.474 1.00 0.00 N ATOM 648 CA PRO A 45 -1.246 -6.591 -7.099 1.00 0.00 C ATOM 649 C PRO A 45 -2.665 -7.016 -6.733 1.00 0.00 C ATOM 650 O PRO A 45 -3.384 -6.282 -6.057 1.00 0.00 O ATOM 651 CB PRO A 45 -1.258 -5.717 -8.356 1.00 0.00 C ATOM 652 CG PRO A 45 -0.921 -6.646 -9.471 1.00 0.00 C ATOM 653 CD PRO A 45 0.014 -7.666 -8.888 1.00 0.00 C ATOM 0 HA PRO A 45 -0.867 -6.081 -6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.234 -5.256 -8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.531 -4.908 -8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.818 -7.121 -9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.451 -6.111 -10.296 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.089 -8.634 -9.379 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.056 -7.364 -8.993 1.00 0.00 H new ATOM 661 N TYR A 46 -3.065 -8.201 -7.184 1.00 0.00 N ATOM 662 CA TYR A 46 -4.404 -8.709 -6.897 1.00 0.00 C ATOM 663 C TYR A 46 -4.407 -9.628 -5.675 1.00 0.00 C ATOM 664 O TYR A 46 -5.422 -10.249 -5.361 1.00 0.00 O ATOM 665 CB TYR A 46 -4.965 -9.452 -8.113 1.00 0.00 C ATOM 666 CG TYR A 46 -4.192 -10.698 -8.481 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.102 -10.634 -9.339 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.555 -11.939 -7.972 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.394 -11.772 -9.680 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.853 -13.080 -8.308 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.774 -12.991 -9.162 1.00 0.00 C ATOM 672 OH TYR A 46 -2.073 -14.126 -9.499 1.00 0.00 O ATOM 0 H TYR A 46 -2.486 -8.825 -7.746 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.040 -7.852 -6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.001 -9.725 -7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.973 -8.776 -8.968 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.802 -9.680 -9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.400 -12.012 -7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.548 -11.706 -10.348 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.148 -14.037 -7.904 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.469 -14.901 -9.048 1.00 0.00 H new ATOM 682 N LEU A 47 -3.272 -9.706 -4.982 1.00 0.00 N ATOM 683 CA LEU A 47 -3.159 -10.546 -3.793 1.00 0.00 C ATOM 684 C LEU A 47 -2.549 -9.774 -2.624 1.00 0.00 C ATOM 685 O LEU A 47 -2.297 -10.346 -1.564 1.00 0.00 O ATOM 686 CB LEU A 47 -2.306 -11.781 -4.089 1.00 0.00 C ATOM 687 CG LEU A 47 -2.934 -12.790 -5.052 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.995 -13.966 -5.276 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.276 -13.270 -4.519 1.00 0.00 C ATOM 0 H LEU A 47 -2.420 -9.199 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.166 -10.859 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.352 -11.454 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.089 -12.287 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.102 -12.297 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.457 -14.675 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.057 -13.607 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.797 -14.460 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.709 -13.987 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.133 -13.747 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.949 -12.420 -4.409 1.00 0.00 H new ATOM 701 N GLN A 48 -2.306 -8.480 -2.819 1.00 0.00 N ATOM 702 CA GLN A 48 -1.718 -7.655 -1.773 1.00 0.00 C ATOM 703 C GLN A 48 -2.735 -6.672 -1.204 1.00 0.00 C ATOM 704 O GLN A 48 -3.155 -5.733 -1.880 1.00 0.00 O ATOM 705 CB GLN A 48 -0.511 -6.891 -2.319 1.00 0.00 C ATOM 706 CG GLN A 48 0.658 -7.788 -2.693 1.00 0.00 C ATOM 707 CD GLN A 48 1.779 -7.033 -3.380 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.942 -7.135 -2.989 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.436 -6.271 -4.412 1.00 0.00 N ATOM 0 H GLN A 48 -2.507 -7.984 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.396 -8.317 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.818 -6.323 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.180 -6.169 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.046 -8.266 -1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.305 -8.583 -3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.460 -6.215 -4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.149 -5.741 -4.914 1.00 0.00 H new ATOM 718 N CYS A 49 -3.115 -6.887 0.051 1.00 0.00 N ATOM 719 CA CYS A 49 -4.068 -6.013 0.722 1.00 0.00 C ATOM 720 C CYS A 49 -3.331 -5.087 1.684 1.00 0.00 C ATOM 721 O CYS A 49 -2.924 -5.501 2.771 1.00 0.00 O ATOM 722 CB CYS A 49 -5.115 -6.842 1.471 1.00 0.00 C ATOM 723 SG CYS A 49 -6.254 -5.868 2.484 1.00 0.00 S ATOM 0 H CYS A 49 -2.777 -7.660 0.624 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.582 -5.408 -0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.693 -7.416 0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.602 -7.560 2.111 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.222 -6.628 2.901 1.00 0.00 H new ATOM 729 N ILE A 50 -3.147 -3.837 1.265 1.00 0.00 N ATOM 730 CA ILE A 50 -2.441 -2.846 2.072 1.00 0.00 C ATOM 731 C ILE A 50 -3.310 -2.307 3.202 1.00 0.00 C ATOM 732 O ILE A 50 -4.537 -2.292 3.108 1.00 0.00 O ATOM 733 CB ILE A 50 -1.964 -1.663 1.205 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.205 -2.172 -0.024 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.093 -0.722 2.024 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.668 -1.547 -1.321 1.00 0.00 C ATOM 0 H ILE A 50 -3.479 -3.486 0.367 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.580 -3.357 2.504 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.838 -1.109 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.142 -1.972 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.320 -3.254 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.765 0.107 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.667 -0.336 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.223 -1.263 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.087 -1.954 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.724 -1.769 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.527 -0.467 -1.275 1.00 0.00 H new ATOM 748 N ARG A 51 -2.655 -1.856 4.267 1.00 0.00 N ATOM 749 CA ARG A 51 -3.347 -1.302 5.422 1.00 0.00 C ATOM 750 C ARG A 51 -2.532 -0.169 6.041 1.00 0.00 C ATOM 751 O ARG A 51 -1.302 -0.213 6.053 1.00 0.00 O ATOM 752 CB ARG A 51 -3.604 -2.391 6.463 1.00 0.00 C ATOM 753 CG ARG A 51 -4.325 -3.607 5.905 1.00 0.00 C ATOM 754 CD ARG A 51 -5.026 -4.388 7.002 1.00 0.00 C ATOM 755 NE ARG A 51 -5.663 -5.601 6.493 1.00 0.00 N ATOM 756 CZ ARG A 51 -6.862 -5.621 5.911 1.00 0.00 C ATOM 757 NH1 ARG A 51 -7.555 -4.500 5.761 1.00 0.00 N ATOM 758 NH2 ARG A 51 -7.367 -6.769 5.479 1.00 0.00 N ATOM 0 H ARG A 51 -1.639 -1.864 4.353 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.305 -0.902 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.652 -2.707 6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.194 -1.971 7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.054 -3.289 5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.610 -4.254 5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.304 -4.655 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.778 -3.755 7.473 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.161 -6.484 6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.171 -3.615 6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.472 -4.523 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.838 -7.634 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.284 -6.787 5.033 1.00 0.00 H new ATOM 772 N TYR A 52 -3.223 0.846 6.549 1.00 0.00 N ATOM 773 CA TYR A 52 -2.557 1.990 7.161 1.00 0.00 C ATOM 774 C TYR A 52 -3.407 2.593 8.275 1.00 0.00 C ATOM 775 O TYR A 52 -4.595 2.295 8.396 1.00 0.00 O ATOM 776 CB TYR A 52 -2.257 3.055 6.104 1.00 0.00 C ATOM 777 CG TYR A 52 -3.495 3.689 5.509 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.339 2.964 4.677 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.818 5.014 5.779 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.470 3.541 4.131 1.00 0.00 C ATOM 781 CE2 TYR A 52 -4.947 5.597 5.237 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.770 4.856 4.414 1.00 0.00 C ATOM 783 OH TYR A 52 -6.895 5.434 3.872 1.00 0.00 O ATOM 0 H TYR A 52 -4.242 0.900 6.549 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.621 1.639 7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.640 3.834 6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.670 2.604 5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.108 1.933 4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.176 5.597 6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.116 2.964 3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.184 6.628 5.456 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.961 6.365 4.172 1.00 0.00 H new ATOM 793 N GLY A 53 -2.786 3.445 9.086 1.00 0.00 N ATOM 794 CA GLY A 53 -3.496 4.084 10.179 1.00 0.00 C ATOM 795 C GLY A 53 -3.921 3.106 11.255 1.00 0.00 C ATOM 796 O GLY A 53 -3.727 1.898 11.119 1.00 0.00 O ATOM 0 H GLY A 53 -1.803 3.704 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.859 4.850 10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.378 4.591 9.786 1.00 0.00 H new ATOM 800 N PHE A 54 -4.501 3.631 12.329 1.00 0.00 N ATOM 801 CA PHE A 54 -4.959 2.801 13.437 1.00 0.00 C ATOM 802 C PHE A 54 -6.398 3.158 13.822 1.00 0.00 C ATOM 803 O PHE A 54 -6.677 4.300 14.184 1.00 0.00 O ATOM 804 CB PHE A 54 -4.033 2.974 14.644 1.00 0.00 C ATOM 805 CG PHE A 54 -3.321 1.712 15.039 1.00 0.00 C ATOM 806 CD1 PHE A 54 -2.481 1.067 14.145 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.491 1.171 16.303 1.00 0.00 C ATOM 808 CE1 PHE A 54 -1.825 -0.096 14.505 1.00 0.00 C ATOM 809 CE2 PHE A 54 -2.837 0.010 16.669 1.00 0.00 C ATOM 810 CZ PHE A 54 -2.003 -0.625 15.768 1.00 0.00 C ATOM 0 H PHE A 54 -4.665 4.630 12.456 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.936 1.759 13.118 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.294 3.743 14.418 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.617 3.333 15.492 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.337 1.477 13.156 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.142 1.662 17.011 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.174 -0.590 13.799 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.977 -0.401 17.658 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.492 -1.533 16.051 1.00 0.00 H new ATOM 820 N PRO A 55 -7.335 2.192 13.747 1.00 0.00 N ATOM 821 CA PRO A 55 -7.051 0.814 13.322 1.00 0.00 C ATOM 822 C PRO A 55 -6.708 0.722 11.835 1.00 0.00 C ATOM 823 O PRO A 55 -7.274 1.444 11.014 1.00 0.00 O ATOM 824 CB PRO A 55 -8.359 0.074 13.612 1.00 0.00 C ATOM 825 CG PRO A 55 -9.408 1.129 13.563 1.00 0.00 C ATOM 826 CD PRO A 55 -8.758 2.381 14.083 1.00 0.00 C ATOM 0 HA PRO A 55 -6.186 0.400 13.841 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.546 -0.705 12.873 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.331 -0.412 14.587 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.771 1.271 12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.268 0.853 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.168 3.273 13.609 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.906 2.494 15.157 1.00 0.00 H new ATOM 834 N PRO A 56 -5.771 -0.172 11.469 1.00 0.00 N ATOM 835 CA PRO A 56 -5.354 -0.353 10.078 1.00 0.00 C ATOM 836 C PRO A 56 -6.535 -0.520 9.136 1.00 0.00 C ATOM 837 O PRO A 56 -7.421 -1.344 9.365 1.00 0.00 O ATOM 838 CB PRO A 56 -4.519 -1.633 10.119 1.00 0.00 C ATOM 839 CG PRO A 56 -3.987 -1.687 11.507 1.00 0.00 C ATOM 840 CD PRO A 56 -5.045 -1.071 12.381 1.00 0.00 C ATOM 0 HA PRO A 56 -4.811 0.514 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.125 -2.510 9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.713 -1.605 9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.783 -2.715 11.807 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.048 -1.139 11.586 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.704 -1.828 12.806 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.606 -0.525 13.216 1.00 0.00 H new ATOM 848 N LYS A 57 -6.535 0.271 8.075 1.00 0.00 N ATOM 849 CA LYS A 57 -7.601 0.225 7.082 1.00 0.00 C ATOM 850 C LYS A 57 -7.283 -0.799 5.998 1.00 0.00 C ATOM 851 O LYS A 57 -6.213 -1.407 6.002 1.00 0.00 O ATOM 852 CB LYS A 57 -7.804 1.605 6.454 1.00 0.00 C ATOM 853 CG LYS A 57 -8.350 2.640 7.424 1.00 0.00 C ATOM 854 CD LYS A 57 -8.137 4.054 6.907 1.00 0.00 C ATOM 855 CE LYS A 57 -9.400 4.610 6.269 1.00 0.00 C ATOM 856 NZ LYS A 57 -10.356 5.126 7.287 1.00 0.00 N ATOM 0 H LYS A 57 -5.806 0.956 7.877 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.521 -0.074 7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.852 1.958 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.488 1.514 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.414 2.466 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.861 2.527 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.828 4.700 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.327 4.058 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.136 5.412 5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.883 3.830 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.204 5.496 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.629 4.355 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.905 5.888 7.832 1.00 0.00 H new ATOM 870 N GLU A 58 -8.218 -0.990 5.075 1.00 0.00 N ATOM 871 CA GLU A 58 -8.035 -1.945 3.988 1.00 0.00 C ATOM 872 C GLU A 58 -7.501 -1.262 2.731 1.00 0.00 C ATOM 873 O GLU A 58 -6.996 -1.922 1.824 1.00 0.00 O ATOM 874 CB GLU A 58 -9.355 -2.651 3.676 1.00 0.00 C ATOM 875 CG GLU A 58 -9.249 -3.674 2.556 1.00 0.00 C ATOM 876 CD GLU A 58 -10.271 -4.786 2.683 1.00 0.00 C ATOM 877 OE1 GLU A 58 -10.801 -4.980 3.797 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.540 -5.464 1.670 1.00 0.00 O ATOM 0 H GLU A 58 -9.111 -0.497 5.057 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.300 -2.682 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.714 -3.148 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.101 -1.904 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.381 -3.172 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.248 -4.104 2.556 1.00 0.00 H new ATOM 885 N LEU A 59 -7.617 0.064 2.678 1.00 0.00 N ATOM 886 CA LEU A 59 -7.148 0.828 1.527 1.00 0.00 C ATOM 887 C LEU A 59 -7.710 0.253 0.230 1.00 0.00 C ATOM 888 O LEU A 59 -7.014 -0.444 -0.506 1.00 0.00 O ATOM 889 CB LEU A 59 -5.619 0.832 1.484 1.00 0.00 C ATOM 890 CG LEU A 59 -4.993 1.783 0.459 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.698 3.132 0.471 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.508 1.956 0.738 1.00 0.00 C ATOM 0 H LEU A 59 -8.032 0.630 3.419 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.502 1.854 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.245 1.095 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.276 -0.181 1.272 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.114 1.346 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.236 3.790 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.751 2.994 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.612 3.578 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.076 2.634 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.371 2.370 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.011 0.988 0.675 1.00 0.00 H new ATOM 904 N MET A 60 -8.979 0.545 -0.034 1.00 0.00 N ATOM 905 CA MET A 60 -9.646 0.054 -1.233 1.00 0.00 C ATOM 906 C MET A 60 -9.196 0.829 -2.468 1.00 0.00 C ATOM 907 O MET A 60 -8.745 1.970 -2.366 1.00 0.00 O ATOM 908 CB MET A 60 -11.164 0.163 -1.074 1.00 0.00 C ATOM 909 CG MET A 60 -11.652 1.589 -0.888 1.00 0.00 C ATOM 910 SD MET A 60 -13.346 1.669 -0.276 1.00 0.00 S ATOM 911 CE MET A 60 -13.354 3.287 0.493 1.00 0.00 C ATOM 0 H MET A 60 -9.567 1.121 0.568 1.00 0.00 H new ATOM 0 HA MET A 60 -9.372 -0.993 -1.367 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.645 -0.266 -1.953 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.476 -0.434 -0.217 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.993 2.106 -0.191 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.588 2.118 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.338 3.482 0.919 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.604 3.318 1.283 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.125 4.046 -0.255 1.00 0.00 H new ATOM 921 N PRO A 61 -9.313 0.215 -3.657 1.00 0.00 N ATOM 922 CA PRO A 61 -8.916 0.850 -4.916 1.00 0.00 C ATOM 923 C PRO A 61 -9.835 2.010 -5.293 1.00 0.00 C ATOM 924 O PRO A 61 -11.053 1.921 -5.140 1.00 0.00 O ATOM 925 CB PRO A 61 -9.031 -0.280 -5.942 1.00 0.00 C ATOM 926 CG PRO A 61 -10.015 -1.232 -5.356 1.00 0.00 C ATOM 927 CD PRO A 61 -9.842 -1.146 -3.865 1.00 0.00 C ATOM 0 HA PRO A 61 -7.918 1.284 -4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.371 0.096 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.067 -0.761 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.032 -0.969 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.835 -2.247 -5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.787 -1.293 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.152 -1.905 -3.497 1.00 0.00 H new ATOM 935 N PRO A 62 -9.260 3.119 -5.788 1.00 0.00 N ATOM 936 CA PRO A 62 -10.034 4.299 -6.183 1.00 0.00 C ATOM 937 C PRO A 62 -10.871 4.057 -7.433 1.00 0.00 C ATOM 938 O PRO A 62 -10.884 2.955 -7.982 1.00 0.00 O ATOM 939 CB PRO A 62 -8.961 5.353 -6.462 1.00 0.00 C ATOM 940 CG PRO A 62 -7.742 4.573 -6.810 1.00 0.00 C ATOM 941 CD PRO A 62 -7.812 3.310 -6.000 1.00 0.00 C ATOM 0 HA PRO A 62 -10.749 4.588 -5.413 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.256 6.011 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.791 5.984 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.712 4.351 -7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.839 5.136 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.369 2.467 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.277 3.408 -5.055 1.00 0.00 H new ATOM 949 N GLN A 63 -11.568 5.097 -7.877 1.00 0.00 N ATOM 950 CA GLN A 63 -12.408 5.003 -9.064 1.00 0.00 C ATOM 951 C GLN A 63 -12.236 6.236 -9.947 1.00 0.00 C ATOM 952 O GLN A 63 -11.293 7.009 -9.773 1.00 0.00 O ATOM 953 CB GLN A 63 -13.877 4.841 -8.663 1.00 0.00 C ATOM 954 CG GLN A 63 -14.593 3.734 -9.419 1.00 0.00 C ATOM 955 CD GLN A 63 -15.981 3.459 -8.873 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.966 3.472 -9.612 1.00 0.00 O ATOM 957 NE2 GLN A 63 -16.067 3.208 -7.572 1.00 0.00 N ATOM 0 H GLN A 63 -11.568 6.015 -7.432 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.099 4.126 -9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.933 4.635 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.398 5.783 -8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.668 4.007 -10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.999 2.821 -9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.225 3.207 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.975 3.016 -7.149 1.00 0.00 H new ATOM 966 N ALA A 64 -13.152 6.416 -10.894 1.00 0.00 N ATOM 967 CA ALA A 64 -13.101 7.555 -11.803 1.00 0.00 C ATOM 968 C ALA A 64 -13.046 8.873 -11.037 1.00 0.00 C ATOM 969 O ALA A 64 -14.063 9.356 -10.538 1.00 0.00 O ATOM 970 CB ALA A 64 -14.301 7.537 -12.739 1.00 0.00 C ATOM 0 H ALA A 64 -13.939 5.787 -11.051 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.189 7.473 -12.394 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.250 8.393 -13.412 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.294 6.616 -13.322 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.219 7.589 -12.154 1.00 0.00 H new ATOM 976 N GLY A 65 -11.852 9.450 -10.947 1.00 0.00 N ATOM 977 CA GLY A 65 -11.685 10.706 -10.239 1.00 0.00 C ATOM 978 C GLY A 65 -10.699 10.600 -9.092 1.00 0.00 C ATOM 979 O GLY A 65 -10.063 11.586 -8.717 1.00 0.00 O ATOM 0 H GLY A 65 -10.997 9.070 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.344 11.470 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.651 11.034 -9.854 1.00 0.00 H new ATOM 983 N MET A 66 -10.573 9.401 -8.532 1.00 0.00 N ATOM 984 CA MET A 66 -9.658 9.167 -7.421 1.00 0.00 C ATOM 985 C MET A 66 -8.447 8.350 -7.865 1.00 0.00 C ATOM 986 O MET A 66 -7.402 8.370 -7.213 1.00 0.00 O ATOM 987 CB MET A 66 -10.381 8.446 -6.281 1.00 0.00 C ATOM 988 CG MET A 66 -11.307 9.349 -5.482 1.00 0.00 C ATOM 989 SD MET A 66 -13.050 8.973 -5.749 1.00 0.00 S ATOM 990 CE MET A 66 -13.458 8.143 -4.215 1.00 0.00 C ATOM 0 H MET A 66 -11.094 8.576 -8.830 1.00 0.00 H new ATOM 0 HA MET A 66 -9.306 10.137 -7.068 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.960 7.620 -6.694 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.641 8.012 -5.609 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.077 9.250 -4.421 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.118 10.388 -5.754 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.507 7.848 -4.229 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.834 7.257 -4.104 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.282 8.818 -3.378 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.592 7.631 -8.976 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.507 6.809 -9.503 1.00 0.00 C ATOM 1002 C GLU A 67 -6.239 7.634 -9.692 1.00 0.00 C ATOM 1003 O GLU A 67 -5.153 7.226 -9.284 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.920 6.176 -10.833 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.264 7.194 -11.908 1.00 0.00 C ATOM 1006 CD GLU A 67 -9.022 6.581 -13.069 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -10.253 6.410 -12.950 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -8.384 6.271 -14.098 1.00 0.00 O ATOM 0 H GLU A 67 -9.449 7.601 -9.528 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.300 6.020 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.110 5.541 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.782 5.530 -10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.862 7.992 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.346 7.650 -12.278 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.389 8.798 -10.314 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.258 9.686 -10.557 1.00 0.00 C ATOM 1017 C LYS A 68 -4.652 10.180 -9.244 1.00 0.00 C ATOM 1018 O LYS A 68 -3.520 10.664 -9.219 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.695 10.877 -11.410 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.930 11.587 -10.878 1.00 0.00 C ATOM 1021 CD LYS A 68 -6.571 12.899 -10.202 1.00 0.00 C ATOM 1022 CE LYS A 68 -7.605 13.976 -10.489 1.00 0.00 C ATOM 1023 NZ LYS A 68 -7.386 14.616 -11.816 1.00 0.00 N ATOM 0 H LYS A 68 -7.282 9.149 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.496 9.120 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.874 11.591 -11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.893 10.533 -12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.623 11.777 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.445 10.940 -10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.493 12.745 -9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.592 13.232 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.603 13.539 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.564 14.736 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.111 15.344 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.444 15.055 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.450 13.896 -12.564 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.410 10.058 -8.158 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.943 10.495 -6.848 1.00 0.00 C ATOM 1039 C GLU A 69 -3.970 9.479 -6.249 1.00 0.00 C ATOM 1040 O GLU A 69 -4.116 8.274 -6.454 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.131 10.704 -5.906 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.137 12.065 -5.229 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.238 11.967 -3.719 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.489 11.163 -3.125 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.066 12.693 -3.130 1.00 0.00 O ATOM 0 H GLU A 69 -6.349 9.660 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.417 11.441 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.056 10.583 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.119 9.927 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.226 12.602 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.974 12.651 -5.608 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.958 9.955 -5.503 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.959 9.084 -4.881 1.00 0.00 C ATOM 1054 C PRO A 70 -2.474 8.411 -3.613 1.00 0.00 C ATOM 1055 O PRO A 70 -3.547 8.744 -3.109 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.824 10.047 -4.549 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.499 11.353 -4.306 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.703 11.380 -5.211 1.00 0.00 C ATOM 0 HA PRO A 70 -1.670 8.261 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.269 9.718 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.110 10.116 -5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.795 11.449 -3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.829 12.184 -4.525 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.559 11.848 -4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.506 11.946 -6.122 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.697 7.461 -3.105 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.061 6.730 -1.898 1.00 0.00 C ATOM 1068 C VAL A 71 -2.119 7.655 -0.682 1.00 0.00 C ATOM 1069 O VAL A 71 -1.597 8.769 -0.715 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.072 5.582 -1.618 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.373 4.393 -2.516 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.364 6.046 -1.803 1.00 0.00 C ATOM 0 H VAL A 71 -0.806 7.178 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.052 6.310 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.193 5.271 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.666 3.590 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.387 4.042 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.282 4.693 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.043 5.218 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.506 6.389 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.573 6.864 -1.114 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.762 7.201 0.411 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.896 7.989 1.646 1.00 0.00 C ATOM 1084 C PRO A 72 -1.622 8.002 2.488 1.00 0.00 C ATOM 1085 O PRO A 72 -1.606 8.537 3.595 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.999 7.246 2.396 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.820 5.829 1.980 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.420 5.883 0.532 1.00 0.00 C ATOM 0 HA PRO A 72 -3.106 9.038 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.897 7.362 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.987 7.620 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.055 5.337 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.741 5.262 2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.743 5.070 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.284 5.803 -0.128 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.564 7.393 1.968 1.00 0.00 N ATOM 1097 CA LEU A 73 0.703 7.317 2.682 1.00 0.00 C ATOM 1098 C LEU A 73 1.702 8.342 2.152 1.00 0.00 C ATOM 1099 O LEU A 73 1.621 8.761 0.997 1.00 0.00 O ATOM 1100 CB LEU A 73 1.273 5.901 2.564 1.00 0.00 C ATOM 1101 CG LEU A 73 0.218 4.803 2.392 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.855 3.507 1.925 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.545 4.591 3.692 1.00 0.00 C ATOM 0 H LEU A 73 -0.559 6.944 1.052 1.00 0.00 H new ATOM 0 HA LEU A 73 0.523 7.548 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.956 5.867 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.862 5.685 3.455 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.488 5.125 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.085 2.744 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.350 3.669 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.588 3.176 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.290 3.808 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.150 4.295 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.042 5.518 3.978 1.00 0.00 H new ATOM 1115 N GLN A 74 2.636 8.750 3.007 1.00 0.00 N ATOM 1116 CA GLN A 74 3.642 9.737 2.627 1.00 0.00 C ATOM 1117 C GLN A 74 5.042 9.298 3.048 1.00 0.00 C ATOM 1118 O GLN A 74 5.225 8.228 3.626 1.00 0.00 O ATOM 1119 CB GLN A 74 3.318 11.092 3.255 1.00 0.00 C ATOM 1120 CG GLN A 74 1.967 11.650 2.838 1.00 0.00 C ATOM 1121 CD GLN A 74 2.006 12.318 1.477 1.00 0.00 C ATOM 1122 OE1 GLN A 74 2.466 13.452 1.342 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.522 11.616 0.458 1.00 0.00 N ATOM 0 H GLN A 74 2.717 8.413 3.966 1.00 0.00 H new ATOM 0 HA GLN A 74 3.624 9.825 1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.342 10.995 4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.096 11.805 2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.234 10.843 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.630 12.371 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.150 10.679 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.522 12.014 -0.481 1.00 0.00 H new ATOM 1132 N HIS A 75 6.027 10.138 2.745 1.00 0.00 N ATOM 1133 CA HIS A 75 7.417 9.852 3.081 1.00 0.00 C ATOM 1134 C HIS A 75 7.591 9.639 4.581 1.00 0.00 C ATOM 1135 O HIS A 75 7.514 10.584 5.366 1.00 0.00 O ATOM 1136 CB HIS A 75 8.322 10.994 2.613 1.00 0.00 C ATOM 1137 CG HIS A 75 9.782 10.672 2.690 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.262 9.464 3.151 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.871 11.407 2.362 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.582 9.471 3.104 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.977 10.637 2.628 1.00 0.00 N ATOM 0 H HIS A 75 5.887 11.027 2.265 1.00 0.00 H new ATOM 0 HA HIS A 75 7.701 8.933 2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.069 11.249 1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.121 11.877 3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.870 12.411 1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.229 8.660 3.404 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.946 10.920 2.482 1.00 0.00 H new ATOM 1150 N GLY A 76 7.833 8.393 4.970 1.00 0.00 N ATOM 1151 CA GLY A 76 8.022 8.078 6.373 1.00 0.00 C ATOM 1152 C GLY A 76 6.836 7.357 6.985 1.00 0.00 C ATOM 1153 O GLY A 76 6.780 7.168 8.200 1.00 0.00 O ATOM 0 H GLY A 76 7.902 7.595 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.913 7.459 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.204 9.000 6.925 1.00 0.00 H new ATOM 1157 N ASP A 77 5.884 6.950 6.148 1.00 0.00 N ATOM 1158 CA ASP A 77 4.703 6.246 6.630 1.00 0.00 C ATOM 1159 C ASP A 77 4.968 4.746 6.732 1.00 0.00 C ATOM 1160 O ASP A 77 6.054 4.272 6.397 1.00 0.00 O ATOM 1161 CB ASP A 77 3.514 6.507 5.703 1.00 0.00 C ATOM 1162 CG ASP A 77 2.553 7.533 6.269 1.00 0.00 C ATOM 1163 OD1 ASP A 77 3.024 8.591 6.739 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.331 7.280 6.244 1.00 0.00 O ATOM 0 H ASP A 77 5.909 7.096 5.139 1.00 0.00 H new ATOM 0 HA ASP A 77 4.466 6.622 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.880 6.851 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.981 5.572 5.528 1.00 0.00 H new ATOM 1169 N ARG A 78 3.965 4.007 7.192 1.00 0.00 N ATOM 1170 CA ARG A 78 4.080 2.560 7.335 1.00 0.00 C ATOM 1171 C ARG A 78 2.778 1.883 6.936 1.00 0.00 C ATOM 1172 O ARG A 78 1.694 2.423 7.156 1.00 0.00 O ATOM 1173 CB ARG A 78 4.450 2.187 8.771 1.00 0.00 C ATOM 1174 CG ARG A 78 3.712 3.001 9.823 1.00 0.00 C ATOM 1175 CD ARG A 78 4.668 3.837 10.659 1.00 0.00 C ATOM 1176 NE ARG A 78 4.077 5.111 11.059 1.00 0.00 N ATOM 1177 CZ ARG A 78 4.694 6.008 11.824 1.00 0.00 C ATOM 1178 NH1 ARG A 78 5.921 5.773 12.275 1.00 0.00 N ATOM 1179 NH2 ARG A 78 4.085 7.144 12.137 1.00 0.00 N ATOM 0 H ARG A 78 3.061 4.387 7.473 1.00 0.00 H new ATOM 0 HA ARG A 78 4.873 2.213 6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.239 1.129 8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.523 2.321 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.988 3.654 9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.150 2.331 10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.957 3.277 11.548 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.579 4.023 10.090 1.00 0.00 H new ATOM 0 HE ARG A 78 3.135 5.326 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.394 4.902 12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.390 6.464 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.144 7.330 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.558 7.832 12.723 1.00 0.00 H new ATOM 1193 N ILE A 79 2.892 0.707 6.337 1.00 0.00 N ATOM 1194 CA ILE A 79 1.719 -0.030 5.896 1.00 0.00 C ATOM 1195 C ILE A 79 1.870 -1.525 6.126 1.00 0.00 C ATOM 1196 O ILE A 79 2.970 -2.025 6.362 1.00 0.00 O ATOM 1197 CB ILE A 79 1.437 0.212 4.403 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.743 0.350 3.617 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.573 1.447 4.226 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.541 0.430 2.120 1.00 0.00 C ATOM 0 H ILE A 79 3.781 0.245 6.146 1.00 0.00 H new ATOM 0 HA ILE A 79 0.884 0.339 6.492 1.00 0.00 H new ATOM 0 HB ILE A 79 0.898 -0.650 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.267 1.245 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.386 -0.500 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.381 1.607 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.373 1.307 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.090 2.315 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.508 0.527 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.045 -0.475 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.924 1.297 1.882 1.00 0.00 H new ATOM 1212 N THR A 80 0.751 -2.233 6.044 1.00 0.00 N ATOM 1213 CA THR A 80 0.743 -3.676 6.230 1.00 0.00 C ATOM 1214 C THR A 80 -0.009 -4.354 5.092 1.00 0.00 C ATOM 1215 O THR A 80 -1.133 -3.975 4.763 1.00 0.00 O ATOM 1216 CB THR A 80 0.101 -4.038 7.568 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.772 -3.397 8.638 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.104 -5.526 7.848 1.00 0.00 C ATOM 0 H THR A 80 -0.165 -1.829 5.849 1.00 0.00 H new ATOM 0 HA THR A 80 1.775 -4.028 6.229 1.00 0.00 H new ATOM 0 HB THR A 80 -0.933 -3.700 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.344 -3.641 9.485 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.366 -5.716 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.451 -6.044 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.131 -5.891 7.867 1.00 0.00 H new ATOM 1226 N ILE A 81 0.620 -5.356 4.492 1.00 0.00 N ATOM 1227 CA ILE A 81 0.014 -6.085 3.389 1.00 0.00 C ATOM 1228 C ILE A 81 -0.518 -7.437 3.845 1.00 0.00 C ATOM 1229 O ILE A 81 -0.030 -8.016 4.814 1.00 0.00 O ATOM 1230 CB ILE A 81 1.019 -6.306 2.243 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.703 -4.990 1.874 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.319 -6.906 1.032 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.736 -3.888 1.499 1.00 0.00 C ATOM 0 H ILE A 81 1.551 -5.682 4.752 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.814 -5.475 3.028 1.00 0.00 H new ATOM 0 HB ILE A 81 1.783 -7.007 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.311 -4.658 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.382 -5.165 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.043 -7.056 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.124 -7.864 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.464 -6.228 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.293 -2.985 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.145 -4.200 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.072 -3.685 2.339 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.518 -7.940 3.134 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.110 -9.232 3.458 1.00 0.00 C ATOM 1247 C GLU A 82 -2.287 -10.071 2.195 1.00 0.00 C ATOM 1248 O GLU A 82 -3.037 -9.699 1.292 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.454 -9.040 4.173 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.406 -10.223 4.040 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.669 -10.050 4.861 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -6.492 -9.181 4.506 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -5.833 -10.783 5.859 1.00 0.00 O ATOM 0 H GLU A 82 -1.937 -7.474 2.329 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.436 -9.764 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.267 -8.855 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.941 -8.150 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.674 -10.353 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.895 -11.133 4.354 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.594 -11.202 2.141 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.678 -12.092 0.993 1.00 0.00 C ATOM 1262 C ILE A 83 -3.084 -12.668 0.853 1.00 0.00 C ATOM 1263 O ILE A 83 -3.503 -13.511 1.645 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.664 -13.251 1.092 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.766 -12.705 1.158 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.826 -14.197 -0.092 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.403 -12.830 2.527 1.00 0.00 C ATOM 0 H ILE A 83 -0.968 -11.523 2.880 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.439 -11.495 0.113 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.859 -13.810 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.382 -13.235 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.759 -11.655 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.105 -15.010 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.836 -14.607 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.653 -13.652 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.414 -12.423 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.811 -12.277 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.443 -13.881 2.815 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.803 -12.206 -0.162 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.161 -12.673 -0.410 1.00 0.00 C ATOM 1281 C LEU A 84 -5.152 -14.080 -1.000 1.00 0.00 C ATOM 1282 O LEU A 84 -4.095 -14.626 -1.313 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.889 -11.712 -1.351 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.933 -10.257 -0.881 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.779 -9.418 -1.824 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.471 -10.172 0.540 1.00 0.00 C ATOM 0 H LEU A 84 -3.469 -11.508 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.690 -12.703 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.406 -11.748 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.911 -12.065 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.917 -9.862 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.799 -8.386 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.351 -9.453 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.795 -9.812 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.495 -9.130 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.479 -10.585 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.824 -10.740 1.208 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.338 -14.661 -1.146 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.468 -16.003 -1.695 1.00 0.00 C ATOM 1300 C LYS A 85 -6.740 -15.950 -3.193 1.00 0.00 C ATOM 1301 O LYS A 85 -7.878 -15.764 -3.625 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.594 -16.760 -0.987 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.581 -18.257 -1.252 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.947 -19.021 -0.100 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.501 -19.379 -0.399 1.00 0.00 C ATOM 1306 NZ LYS A 85 -5.077 -20.616 0.312 1.00 0.00 N ATOM 0 H LYS A 85 -7.223 -14.222 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.528 -16.530 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.517 -16.589 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.553 -16.351 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.601 -18.609 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.031 -18.460 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.994 -18.419 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.516 -19.931 0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.376 -19.517 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.854 -18.552 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.085 -20.826 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.172 -20.477 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.677 -21.411 0.014 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.686 -16.116 -3.979 1.00 0.00 N ATOM 1321 CA GLY A 86 -5.821 -16.085 -5.423 1.00 0.00 C ATOM 1322 C GLY A 86 -5.954 -17.471 -6.023 1.00 0.00 C ATOM 1323 O GLY A 86 -6.804 -18.248 -5.542 1.00 0.00 O ATOM 1324 OXT GLY A 86 -5.208 -17.779 -6.977 1.00 0.00 O ATOM 0 H GLY A 86 -4.736 -16.272 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.695 -15.491 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.953 -15.587 -5.855 1.00 0.00 H new