USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 655 hydrogens (21 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 28 HIS : no HD1:sc= -2! X(o=-3!,f=-3.2) USER MOD Set 1.2: A 65 SER OG : rot 86:sc= -1.05! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= -1.65! (180deg=-7.63!) USER MOD Single : A 2 ASN : amide:sc=-0.00233 X(o=-0.0023,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0.714 (180deg=0.539) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.14) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 27 SER OG : rot 127:sc= -1.15 USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -1.68 (180deg=-3.07!) USER MOD Single : A 36 ASN : amide:sc= -14.1! C(o=-14!,f=-13!) USER MOD Single : A 49 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.23) USER MOD Single : A 58 HIS : no HD1:sc= -5.08! K(o=-5.1!,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= -0.25 (180deg=-0.499) USER MOD Single : A 64 GLN : amide:sc= -7.22! C(o=-7.2!,f=-10!) USER MOD Single : A 72 TYR OH : rot -140:sc= -8.18! USER MOD Single : A 75 GLN : amide:sc= -14.3! C(o=-14!,f=-22!) USER MOD Single : A 76 ASN : amide:sc= -2.03! K(o=-2!,f=-1.1) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -124:sc= -0.495 (180deg=-1.35!) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.474 USER MOD Single : A 101 PNS S44 : rot 13:sc= 0.0769 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.501 -7.369 8.605 1.00 0.00 N ATOM 2 CA MET A 1 -5.118 -7.765 8.977 1.00 0.00 C ATOM 3 C MET A 1 -4.312 -6.563 9.462 1.00 0.00 C ATOM 4 O MET A 1 -4.427 -5.466 8.917 1.00 0.00 O ATOM 5 CB MET A 1 -4.444 -8.393 7.755 1.00 0.00 C ATOM 6 CG MET A 1 -3.697 -9.680 8.066 1.00 0.00 C ATOM 7 SD MET A 1 -3.614 -10.793 6.651 1.00 0.00 S ATOM 8 CE MET A 1 -1.855 -11.126 6.586 1.00 0.00 C ATOM 0 H1 MET A 1 -7.181 -8.005 9.068 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.677 -6.391 8.913 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.615 -7.433 7.573 1.00 0.00 H new ATOM 0 HA MET A 1 -5.160 -8.485 9.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.201 -8.596 6.997 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.747 -7.673 7.325 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.686 -9.439 8.393 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.188 -10.189 8.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.643 -11.803 5.758 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.313 -10.192 6.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.537 -11.586 7.522 1.00 0.00 H new ATOM 20 N ASN A 2 -3.499 -6.780 10.490 1.00 0.00 N ATOM 21 CA ASN A 2 -2.675 -5.717 11.052 1.00 0.00 C ATOM 22 C ASN A 2 -1.528 -5.357 10.113 1.00 0.00 C ATOM 23 O ASN A 2 -1.075 -4.215 10.073 1.00 0.00 O ATOM 24 CB ASN A 2 -2.118 -6.135 12.414 1.00 0.00 C ATOM 25 CG ASN A 2 -3.212 -6.381 13.434 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.034 -5.505 13.704 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.227 -7.579 14.007 1.00 0.00 N ATOM 0 H ASN A 2 -3.393 -7.684 10.951 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.307 -4.838 11.179 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.523 -7.041 12.298 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.448 -5.359 12.784 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.940 -7.803 14.701 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.526 -8.275 13.753 1.00 0.00 H new ATOM 34 N ASP A 3 -1.056 -6.346 9.374 1.00 0.00 N ATOM 35 CA ASP A 3 0.051 -6.150 8.444 1.00 0.00 C ATOM 36 C ASP A 3 -0.200 -4.974 7.505 1.00 0.00 C ATOM 37 O ASP A 3 0.742 -4.330 7.041 1.00 0.00 O ATOM 38 CB ASP A 3 0.286 -7.424 7.629 1.00 0.00 C ATOM 39 CG ASP A 3 1.575 -8.124 8.010 1.00 0.00 C ATOM 40 OD1 ASP A 3 2.656 -7.539 7.787 1.00 0.00 O ATOM 41 OD2 ASP A 3 1.505 -9.256 8.531 1.00 0.00 O ATOM 0 H ASP A 3 -1.422 -7.298 9.398 1.00 0.00 H new ATOM 0 HA ASP A 3 0.940 -5.924 9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.552 -8.106 7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.311 -7.174 6.568 1.00 0.00 H new ATOM 46 N VAL A 4 -1.465 -4.708 7.209 1.00 0.00 N ATOM 47 CA VAL A 4 -1.821 -3.618 6.304 1.00 0.00 C ATOM 48 C VAL A 4 -1.593 -2.244 6.930 1.00 0.00 C ATOM 49 O VAL A 4 -0.878 -1.418 6.372 1.00 0.00 O ATOM 50 CB VAL A 4 -3.288 -3.720 5.853 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.526 -5.019 5.100 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.221 -3.602 7.046 1.00 0.00 C ATOM 0 H VAL A 4 -2.260 -5.228 7.579 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.164 -3.720 5.441 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.501 -2.894 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.569 -5.073 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.883 -5.053 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.297 -5.864 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.255 -3.676 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.011 -4.405 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.067 -2.640 7.534 1.00 0.00 H new ATOM 62 N LEU A 5 -2.211 -1.994 8.081 1.00 0.00 N ATOM 63 CA LEU A 5 -2.063 -0.706 8.752 1.00 0.00 C ATOM 64 C LEU A 5 -0.649 -0.508 9.282 1.00 0.00 C ATOM 65 O LEU A 5 -0.134 0.607 9.308 1.00 0.00 O ATOM 66 CB LEU A 5 -3.095 -0.537 9.878 1.00 0.00 C ATOM 67 CG LEU A 5 -3.099 -1.617 10.960 1.00 0.00 C ATOM 68 CD1 LEU A 5 -3.642 -2.915 10.399 1.00 0.00 C ATOM 69 CD2 LEU A 5 -1.706 -1.810 11.541 1.00 0.00 C ATOM 0 H LEU A 5 -2.814 -2.659 8.565 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.250 0.066 8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.924 0.427 10.357 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.088 -0.498 9.429 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.751 -1.294 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.640 -3.677 11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.661 -2.760 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.016 -3.243 9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.736 -2.583 12.308 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.020 -2.111 10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.363 -0.874 11.982 1.00 0.00 H new ATOM 81 N THR A 6 -0.030 -1.593 9.717 1.00 0.00 N ATOM 82 CA THR A 6 1.322 -1.539 10.264 1.00 0.00 C ATOM 83 C THR A 6 2.337 -1.073 9.226 1.00 0.00 C ATOM 84 O THR A 6 3.062 -0.103 9.443 1.00 0.00 O ATOM 85 CB THR A 6 1.725 -2.910 10.801 1.00 0.00 C ATOM 86 OG1 THR A 6 3.131 -2.994 10.960 1.00 0.00 O ATOM 87 CG2 THR A 6 1.294 -4.043 9.902 1.00 0.00 C ATOM 0 H THR A 6 -0.441 -2.526 9.703 1.00 0.00 H new ATOM 0 HA THR A 6 1.318 -0.812 11.076 1.00 0.00 H new ATOM 0 HB THR A 6 1.217 -3.011 11.760 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.369 -3.879 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.609 -4.992 10.336 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.209 -4.033 9.799 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.753 -3.923 8.921 1.00 0.00 H new ATOM 95 N ARG A 7 2.391 -1.781 8.110 1.00 0.00 N ATOM 96 CA ARG A 7 3.322 -1.463 7.038 1.00 0.00 C ATOM 97 C ARG A 7 2.840 -0.270 6.227 1.00 0.00 C ATOM 98 O ARG A 7 3.613 0.631 5.905 1.00 0.00 O ATOM 99 CB ARG A 7 3.510 -2.674 6.123 1.00 0.00 C ATOM 100 CG ARG A 7 4.863 -2.708 5.430 1.00 0.00 C ATOM 101 CD ARG A 7 4.833 -1.946 4.115 1.00 0.00 C ATOM 102 NE ARG A 7 6.171 -1.771 3.556 1.00 0.00 N ATOM 103 CZ ARG A 7 6.862 -2.749 2.979 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.343 -3.966 2.889 1.00 0.00 N ATOM 105 NH2 ARG A 7 8.073 -2.511 2.493 1.00 0.00 N ATOM 0 H ARG A 7 1.795 -2.587 7.921 1.00 0.00 H new ATOM 0 HA ARG A 7 4.279 -1.204 7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.388 -3.585 6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.724 -2.674 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.620 -2.276 6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.153 -3.742 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.208 -2.481 3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.374 -0.970 4.272 1.00 0.00 H new ATOM 0 HE ARG A 7 6.599 -0.847 3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.412 -4.153 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.874 -4.716 2.446 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.475 -1.576 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.602 -3.263 2.051 1.00 0.00 H new ATOM 119 N VAL A 8 1.557 -0.279 5.890 1.00 0.00 N ATOM 120 CA VAL A 8 0.969 0.793 5.105 1.00 0.00 C ATOM 121 C VAL A 8 0.996 2.116 5.862 1.00 0.00 C ATOM 122 O VAL A 8 1.435 3.138 5.332 1.00 0.00 O ATOM 123 CB VAL A 8 -0.486 0.470 4.709 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.456 1.013 5.746 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.799 1.033 3.330 1.00 0.00 C ATOM 0 H VAL A 8 0.905 -1.019 6.149 1.00 0.00 H new ATOM 0 HA VAL A 8 1.572 0.885 4.202 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.601 -0.613 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.477 0.775 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.245 0.559 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.342 2.095 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.830 0.796 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.666 2.115 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.126 0.592 2.595 1.00 0.00 H new ATOM 135 N LEU A 9 0.525 2.091 7.104 1.00 0.00 N ATOM 136 CA LEU A 9 0.492 3.287 7.938 1.00 0.00 C ATOM 137 C LEU A 9 1.903 3.761 8.271 1.00 0.00 C ATOM 138 O LEU A 9 2.198 4.955 8.205 1.00 0.00 O ATOM 139 CB LEU A 9 -0.281 3.010 9.231 1.00 0.00 C ATOM 140 CG LEU A 9 0.576 2.563 10.415 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.280 3.755 11.044 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.276 1.839 11.445 1.00 0.00 C ATOM 0 H LEU A 9 0.160 1.253 7.557 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.013 4.074 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.821 3.914 9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.028 2.241 9.032 1.00 0.00 H new ATOM 0 HG LEU A 9 1.335 1.871 10.050 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.885 3.418 11.885 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.922 4.231 10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.538 4.472 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.350 1.528 12.281 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.057 2.508 11.806 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.733 0.961 10.987 1.00 0.00 H new ATOM 154 N GLU A 10 2.768 2.821 8.635 1.00 0.00 N ATOM 155 CA GLU A 10 4.146 3.142 8.984 1.00 0.00 C ATOM 156 C GLU A 10 4.901 3.687 7.783 1.00 0.00 C ATOM 157 O GLU A 10 5.755 4.563 7.914 1.00 0.00 O ATOM 158 CB GLU A 10 4.862 1.901 9.515 1.00 0.00 C ATOM 159 CG GLU A 10 5.310 0.944 8.420 1.00 0.00 C ATOM 160 CD GLU A 10 6.794 0.641 8.484 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.584 1.419 7.911 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.167 -0.375 9.108 1.00 0.00 O ATOM 0 H GLU A 10 2.538 1.829 8.696 1.00 0.00 H new ATOM 0 HA GLU A 10 4.123 3.908 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.732 2.213 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.198 1.373 10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.749 0.013 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.072 1.374 7.447 1.00 0.00 H new ATOM 169 N VAL A 11 4.588 3.151 6.618 1.00 0.00 N ATOM 170 CA VAL A 11 5.239 3.566 5.388 1.00 0.00 C ATOM 171 C VAL A 11 4.993 5.038 5.094 1.00 0.00 C ATOM 172 O VAL A 11 5.930 5.818 4.923 1.00 0.00 O ATOM 173 CB VAL A 11 4.766 2.722 4.203 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.716 3.553 2.932 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.659 1.505 4.024 1.00 0.00 C ATOM 0 H VAL A 11 3.883 2.424 6.497 1.00 0.00 H new ATOM 0 HA VAL A 11 6.309 3.414 5.529 1.00 0.00 H new ATOM 0 HB VAL A 11 3.755 2.373 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.377 2.931 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.025 4.385 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.711 3.940 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.307 0.917 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.683 1.829 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.628 0.895 4.927 1.00 0.00 H new ATOM 185 N VAL A 12 3.725 5.408 5.045 1.00 0.00 N ATOM 186 CA VAL A 12 3.342 6.789 4.779 1.00 0.00 C ATOM 187 C VAL A 12 3.789 7.704 5.913 1.00 0.00 C ATOM 188 O VAL A 12 4.415 8.739 5.682 1.00 0.00 O ATOM 189 CB VAL A 12 1.819 6.925 4.591 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.425 6.581 3.162 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.077 6.043 5.584 1.00 0.00 C ATOM 0 H VAL A 12 2.940 4.772 5.186 1.00 0.00 H new ATOM 0 HA VAL A 12 3.839 7.086 3.855 1.00 0.00 H new ATOM 0 HB VAL A 12 1.539 7.961 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.346 6.683 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.928 7.259 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.718 5.555 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.003 6.152 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.360 5.002 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.335 6.342 6.600 1.00 0.00 H new ATOM 201 N LYS A 13 3.467 7.312 7.142 1.00 0.00 N ATOM 202 CA LYS A 13 3.840 8.095 8.312 1.00 0.00 C ATOM 203 C LYS A 13 5.341 8.361 8.325 1.00 0.00 C ATOM 204 O LYS A 13 5.780 9.477 8.602 1.00 0.00 O ATOM 205 CB LYS A 13 3.426 7.367 9.593 1.00 0.00 C ATOM 206 CG LYS A 13 4.324 6.193 9.946 1.00 0.00 C ATOM 207 CD LYS A 13 5.522 6.636 10.770 1.00 0.00 C ATOM 208 CE LYS A 13 5.092 7.237 12.099 1.00 0.00 C ATOM 209 NZ LYS A 13 6.049 8.273 12.576 1.00 0.00 N ATOM 0 H LYS A 13 2.950 6.458 7.352 1.00 0.00 H new ATOM 0 HA LYS A 13 3.318 9.051 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.428 8.076 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.402 7.010 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.752 5.451 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.669 5.709 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.177 5.783 10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.101 7.369 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.101 7.679 11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.011 6.447 12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.720 8.658 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.989 7.846 12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.108 9.040 11.876 1.00 0.00 H new ATOM 223 N ASN A 14 6.124 7.329 8.021 1.00 0.00 N ATOM 224 CA ASN A 14 7.570 7.456 7.996 1.00 0.00 C ATOM 225 C ASN A 14 8.041 8.009 6.656 1.00 0.00 C ATOM 226 O ASN A 14 9.232 8.247 6.455 1.00 0.00 O ATOM 227 CB ASN A 14 8.229 6.100 8.259 1.00 0.00 C ATOM 228 CG ASN A 14 7.843 5.521 9.607 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.110 6.116 10.651 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.211 4.353 9.588 1.00 0.00 N ATOM 0 H ASN A 14 5.777 6.398 7.789 1.00 0.00 H new ATOM 0 HA ASN A 14 7.862 8.152 8.782 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.944 5.402 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.312 6.210 8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.926 3.913 10.463 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.011 3.896 8.698 1.00 0.00 H new ATOM 237 N PHE A 15 7.097 8.217 5.742 1.00 0.00 N ATOM 238 CA PHE A 15 7.415 8.747 4.427 1.00 0.00 C ATOM 239 C PHE A 15 7.813 10.215 4.520 1.00 0.00 C ATOM 240 O PHE A 15 8.532 10.730 3.665 1.00 0.00 O ATOM 241 CB PHE A 15 6.221 8.589 3.484 1.00 0.00 C ATOM 242 CG PHE A 15 6.613 8.225 2.082 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.316 7.060 1.825 1.00 0.00 C ATOM 244 CD2 PHE A 15 6.278 9.049 1.020 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.680 6.724 0.535 1.00 0.00 C ATOM 246 CE2 PHE A 15 6.639 8.719 -0.272 1.00 0.00 C ATOM 247 CZ PHE A 15 7.340 7.555 -0.515 1.00 0.00 C ATOM 0 H PHE A 15 6.106 8.025 5.892 1.00 0.00 H new ATOM 0 HA PHE A 15 8.257 8.182 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.555 7.821 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.657 9.521 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.583 6.406 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.728 9.960 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.229 5.813 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.373 9.371 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.622 7.294 -1.524 1.00 0.00 H new ATOM 257 N GLU A 16 7.335 10.877 5.567 1.00 0.00 N ATOM 258 CA GLU A 16 7.633 12.288 5.790 1.00 0.00 C ATOM 259 C GLU A 16 6.400 13.150 5.542 1.00 0.00 C ATOM 260 O GLU A 16 6.396 14.345 5.836 1.00 0.00 O ATOM 261 CB GLU A 16 8.777 12.744 4.883 1.00 0.00 C ATOM 262 CG GLU A 16 8.335 13.106 3.478 1.00 0.00 C ATOM 263 CD GLU A 16 8.617 14.554 3.131 1.00 0.00 C ATOM 264 OE1 GLU A 16 7.749 15.410 3.407 1.00 0.00 O ATOM 265 OE2 GLU A 16 9.704 14.833 2.585 1.00 0.00 O ATOM 0 H GLU A 16 6.736 10.457 6.278 1.00 0.00 H new ATOM 0 HA GLU A 16 7.936 12.406 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.265 13.608 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.522 11.951 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.844 12.460 2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.267 12.914 3.377 1.00 0.00 H new ATOM 272 N LYS A 17 5.353 12.536 5.001 1.00 0.00 N ATOM 273 CA LYS A 17 4.115 13.249 4.714 1.00 0.00 C ATOM 274 C LYS A 17 3.486 13.781 5.999 1.00 0.00 C ATOM 275 O LYS A 17 3.117 14.953 6.081 1.00 0.00 O ATOM 276 CB LYS A 17 3.127 12.329 3.992 1.00 0.00 C ATOM 277 CG LYS A 17 3.213 12.404 2.478 1.00 0.00 C ATOM 278 CD LYS A 17 3.815 13.720 2.028 1.00 0.00 C ATOM 279 CE LYS A 17 3.042 14.898 2.593 1.00 0.00 C ATOM 280 NZ LYS A 17 1.979 15.365 1.660 1.00 0.00 N ATOM 0 H LYS A 17 5.338 11.547 4.753 1.00 0.00 H new ATOM 0 HA LYS A 17 4.352 14.094 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.306 11.301 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.114 12.585 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.818 11.578 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.218 12.291 2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.855 13.776 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.815 13.770 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.591 14.614 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.730 15.718 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.520 16.212 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.403 15.596 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.271 14.613 1.536 1.00 0.00 H new ATOM 294 N VAL A 18 3.367 12.912 6.999 1.00 0.00 N ATOM 295 CA VAL A 18 2.785 13.292 8.279 1.00 0.00 C ATOM 296 C VAL A 18 2.861 12.143 9.279 1.00 0.00 C ATOM 297 O VAL A 18 2.974 10.979 8.894 1.00 0.00 O ATOM 298 CB VAL A 18 1.313 13.718 8.122 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.220 15.097 7.488 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.544 12.693 7.302 1.00 0.00 C ATOM 0 H VAL A 18 3.667 11.939 6.946 1.00 0.00 H new ATOM 0 HA VAL A 18 3.365 14.137 8.651 1.00 0.00 H new ATOM 0 HB VAL A 18 0.862 13.768 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.172 15.380 7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.732 15.823 8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.689 15.077 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.494 13.011 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.994 12.607 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.580 11.725 7.803 1.00 0.00 H new ATOM 310 N ASP A 19 2.797 12.477 10.563 1.00 0.00 N ATOM 311 CA ASP A 19 2.858 11.473 11.617 1.00 0.00 C ATOM 312 C ASP A 19 1.632 10.568 11.574 1.00 0.00 C ATOM 313 O ASP A 19 0.502 11.042 11.457 1.00 0.00 O ATOM 314 CB ASP A 19 2.962 12.146 12.988 1.00 0.00 C ATOM 315 CG ASP A 19 3.366 13.604 12.887 1.00 0.00 C ATOM 316 OD1 ASP A 19 3.912 13.997 11.835 1.00 0.00 O ATOM 317 OD2 ASP A 19 3.136 14.353 13.859 1.00 0.00 O ATOM 0 H ASP A 19 2.703 13.436 10.899 1.00 0.00 H new ATOM 0 HA ASP A 19 3.746 10.862 11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.002 12.072 13.500 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.690 11.611 13.598 1.00 0.00 H new ATOM 322 N ALA A 20 1.860 9.262 11.665 1.00 0.00 N ATOM 323 CA ALA A 20 0.772 8.293 11.633 1.00 0.00 C ATOM 324 C ALA A 20 -0.190 8.506 12.795 1.00 0.00 C ATOM 325 O ALA A 20 -1.355 8.114 12.730 1.00 0.00 O ATOM 326 CB ALA A 20 1.326 6.877 11.655 1.00 0.00 C ATOM 0 H ALA A 20 2.788 8.851 11.761 1.00 0.00 H new ATOM 0 HA ALA A 20 0.216 8.440 10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.502 6.164 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.965 6.723 10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.908 6.728 12.564 1.00 0.00 H new ATOM 332 N SER A 21 0.306 9.128 13.857 1.00 0.00 N ATOM 333 CA SER A 21 -0.507 9.393 15.036 1.00 0.00 C ATOM 334 C SER A 21 -1.579 10.434 14.735 1.00 0.00 C ATOM 335 O SER A 21 -2.595 10.512 15.427 1.00 0.00 O ATOM 336 CB SER A 21 0.374 9.870 16.192 1.00 0.00 C ATOM 337 OG SER A 21 0.440 8.897 17.220 1.00 0.00 O ATOM 0 H SER A 21 1.269 9.459 13.926 1.00 0.00 H new ATOM 0 HA SER A 21 -0.999 8.464 15.323 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.378 10.083 15.824 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.023 10.802 16.595 1.00 0.00 H new ATOM 0 HG SER A 21 1.010 9.226 17.946 1.00 0.00 H new ATOM 343 N LYS A 22 -1.345 11.231 13.699 1.00 0.00 N ATOM 344 CA LYS A 22 -2.286 12.269 13.303 1.00 0.00 C ATOM 345 C LYS A 22 -3.485 11.672 12.575 1.00 0.00 C ATOM 346 O LYS A 22 -4.515 12.326 12.415 1.00 0.00 O ATOM 347 CB LYS A 22 -1.595 13.296 12.405 1.00 0.00 C ATOM 348 CG LYS A 22 -1.153 12.731 11.066 1.00 0.00 C ATOM 349 CD LYS A 22 -1.956 13.322 9.918 1.00 0.00 C ATOM 350 CE LYS A 22 -1.400 14.669 9.485 1.00 0.00 C ATOM 351 NZ LYS A 22 -2.478 15.676 9.281 1.00 0.00 N ATOM 0 H LYS A 22 -0.509 11.177 13.117 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.642 12.763 14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.274 14.131 12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.725 13.696 12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.094 12.938 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.268 11.647 11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.945 12.634 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.996 13.437 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.702 15.033 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.836 14.548 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.054 16.617 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.030 15.427 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.104 15.688 10.112 1.00 0.00 H new ATOM 365 N VAL A 23 -3.342 10.428 12.130 1.00 0.00 N ATOM 366 CA VAL A 23 -4.410 9.748 11.413 1.00 0.00 C ATOM 367 C VAL A 23 -5.499 9.263 12.363 1.00 0.00 C ATOM 368 O VAL A 23 -5.229 8.528 13.313 1.00 0.00 O ATOM 369 CB VAL A 23 -3.872 8.546 10.614 1.00 0.00 C ATOM 370 CG1 VAL A 23 -4.927 8.030 9.648 1.00 0.00 C ATOM 371 CG2 VAL A 23 -2.599 8.925 9.873 1.00 0.00 C ATOM 0 H VAL A 23 -2.496 9.872 12.254 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.836 10.477 10.723 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.633 7.746 11.314 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.528 7.181 9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.809 7.716 10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.201 8.822 8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.233 8.064 9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.809 9.743 9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.841 9.241 10.590 1.00 0.00 H new ATOM 381 N THR A 24 -6.734 9.676 12.095 1.00 0.00 N ATOM 382 CA THR A 24 -7.867 9.284 12.910 1.00 0.00 C ATOM 383 C THR A 24 -8.826 8.409 12.109 1.00 0.00 C ATOM 384 O THR A 24 -8.698 8.287 10.892 1.00 0.00 O ATOM 385 CB THR A 24 -8.595 10.519 13.444 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.646 10.496 14.860 1.00 0.00 O ATOM 387 CG2 THR A 24 -10.015 10.648 12.936 1.00 0.00 C ATOM 0 H THR A 24 -6.971 10.286 11.313 1.00 0.00 H new ATOM 0 HA THR A 24 -7.497 8.706 13.757 1.00 0.00 H new ATOM 0 HB THR A 24 -8.020 11.371 13.081 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.114 11.294 15.184 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.471 11.545 13.355 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.007 10.718 11.848 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.591 9.773 13.239 1.00 0.00 H new ATOM 395 N PRO A 25 -9.801 7.785 12.785 1.00 0.00 N ATOM 396 CA PRO A 25 -10.784 6.915 12.131 1.00 0.00 C ATOM 397 C PRO A 25 -11.590 7.652 11.065 1.00 0.00 C ATOM 398 O PRO A 25 -11.942 7.079 10.034 1.00 0.00 O ATOM 399 CB PRO A 25 -11.698 6.466 13.278 1.00 0.00 C ATOM 400 CG PRO A 25 -11.453 7.440 14.382 1.00 0.00 C ATOM 401 CD PRO A 25 -10.023 7.876 14.235 1.00 0.00 C ATOM 0 HA PRO A 25 -10.305 6.088 11.608 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.744 6.473 12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.464 5.449 13.592 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.130 8.291 14.310 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.623 6.979 15.355 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.869 8.890 14.605 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.344 7.228 14.789 1.00 0.00 H new ATOM 409 N GLU A 26 -11.876 8.924 11.320 1.00 0.00 N ATOM 410 CA GLU A 26 -12.636 9.738 10.385 1.00 0.00 C ATOM 411 C GLU A 26 -11.725 10.707 9.638 1.00 0.00 C ATOM 412 O GLU A 26 -12.196 11.618 8.957 1.00 0.00 O ATOM 413 CB GLU A 26 -13.731 10.513 11.122 1.00 0.00 C ATOM 414 CG GLU A 26 -15.013 9.719 11.314 1.00 0.00 C ATOM 415 CD GLU A 26 -15.049 8.457 10.477 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.181 8.569 9.240 1.00 0.00 O ATOM 417 OE2 GLU A 26 -14.945 7.356 11.056 1.00 0.00 O ATOM 0 H GLU A 26 -11.591 9.412 12.169 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.099 9.071 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.354 10.820 12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.957 11.423 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.118 9.455 12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.866 10.346 11.056 1.00 0.00 H new ATOM 424 N SER A 27 -10.418 10.510 9.778 1.00 0.00 N ATOM 425 CA SER A 27 -9.441 11.369 9.125 1.00 0.00 C ATOM 426 C SER A 27 -9.354 11.076 7.632 1.00 0.00 C ATOM 427 O SER A 27 -9.312 9.919 7.218 1.00 0.00 O ATOM 428 CB SER A 27 -8.066 11.193 9.771 1.00 0.00 C ATOM 429 OG SER A 27 -7.051 11.785 8.979 1.00 0.00 O ATOM 0 H SER A 27 -10.012 9.761 10.339 1.00 0.00 H new ATOM 0 HA SER A 27 -9.769 12.401 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.067 11.644 10.763 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.856 10.132 9.903 1.00 0.00 H new ATOM 0 HG SER A 27 -6.522 12.399 9.530 1.00 0.00 H new ATOM 435 N HIS A 28 -9.325 12.134 6.829 1.00 0.00 N ATOM 436 CA HIS A 28 -9.237 11.995 5.385 1.00 0.00 C ATOM 437 C HIS A 28 -7.800 11.720 4.955 1.00 0.00 C ATOM 438 O HIS A 28 -6.854 12.170 5.600 1.00 0.00 O ATOM 439 CB HIS A 28 -9.759 13.258 4.697 1.00 0.00 C ATOM 440 CG HIS A 28 -11.229 13.221 4.413 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.003 12.094 4.595 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.068 14.181 3.956 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.253 12.363 4.263 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.319 13.623 3.873 1.00 0.00 N ATOM 0 H HIS A 28 -9.361 13.099 7.158 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.855 11.148 5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.540 14.121 5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.220 13.401 3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.802 15.197 3.704 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.080 11.670 4.304 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.163 14.103 3.561 1.00 0.00 H new ATOM 453 N PHE A 29 -7.642 10.978 3.865 1.00 0.00 N ATOM 454 CA PHE A 29 -6.318 10.647 3.357 1.00 0.00 C ATOM 455 C PHE A 29 -5.613 11.888 2.828 1.00 0.00 C ATOM 456 O PHE A 29 -4.771 12.478 3.505 1.00 0.00 O ATOM 457 CB PHE A 29 -6.419 9.592 2.253 1.00 0.00 C ATOM 458 CG PHE A 29 -5.221 8.689 2.176 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.032 9.138 1.622 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.283 7.392 2.658 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.929 8.308 1.550 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.184 6.557 2.589 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.005 7.017 2.034 1.00 0.00 C ATOM 0 H PHE A 29 -8.413 10.595 3.318 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.731 10.242 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.310 8.987 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.549 10.093 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.967 10.147 1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.202 7.029 3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.008 8.669 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.246 5.548 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.144 6.367 1.979 1.00 0.00 H new ATOM 473 N VAL A 30 -5.965 12.276 1.613 1.00 0.00 N ATOM 474 CA VAL A 30 -5.374 13.445 0.976 1.00 0.00 C ATOM 475 C VAL A 30 -5.765 14.725 1.700 1.00 0.00 C ATOM 476 O VAL A 30 -5.010 15.697 1.726 1.00 0.00 O ATOM 477 CB VAL A 30 -5.793 13.554 -0.502 1.00 0.00 C ATOM 478 CG1 VAL A 30 -5.381 12.307 -1.268 1.00 0.00 C ATOM 479 CG2 VAL A 30 -7.292 13.787 -0.617 1.00 0.00 C ATOM 0 H VAL A 30 -6.662 11.796 1.044 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.293 13.318 1.030 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.280 14.409 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.686 12.403 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.299 12.189 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.863 11.434 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.569 13.861 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.826 12.954 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.557 14.713 -0.106 1.00 0.00 H new ATOM 489 N LYS A 31 -6.955 14.719 2.274 1.00 0.00 N ATOM 490 CA LYS A 31 -7.469 15.875 2.992 1.00 0.00 C ATOM 491 C LYS A 31 -6.838 16.005 4.377 1.00 0.00 C ATOM 492 O LYS A 31 -6.728 17.106 4.915 1.00 0.00 O ATOM 493 CB LYS A 31 -8.990 15.783 3.123 1.00 0.00 C ATOM 494 CG LYS A 31 -9.653 15.024 1.985 1.00 0.00 C ATOM 495 CD LYS A 31 -9.274 15.604 0.632 1.00 0.00 C ATOM 496 CE LYS A 31 -10.064 14.957 -0.493 1.00 0.00 C ATOM 497 NZ LYS A 31 -10.336 13.518 -0.225 1.00 0.00 N ATOM 0 H LYS A 31 -7.589 13.920 2.257 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.206 16.763 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.236 15.295 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.404 16.790 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.360 13.975 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.736 15.058 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.454 16.679 0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.208 15.459 0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.008 15.486 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.511 15.054 -1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.394 13.002 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.567 13.121 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.237 13.424 0.286 1.00 0.00 H new ATOM 511 N ASP A 32 -6.438 14.877 4.957 1.00 0.00 N ATOM 512 CA ASP A 32 -5.839 14.875 6.279 1.00 0.00 C ATOM 513 C ASP A 32 -4.355 14.515 6.237 1.00 0.00 C ATOM 514 O ASP A 32 -3.739 14.280 7.276 1.00 0.00 O ATOM 515 CB ASP A 32 -6.583 13.906 7.198 1.00 0.00 C ATOM 516 CG ASP A 32 -6.814 14.482 8.582 1.00 0.00 C ATOM 517 OD1 ASP A 32 -7.585 15.457 8.697 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.223 13.958 9.550 1.00 0.00 O ATOM 0 H ASP A 32 -6.520 13.955 4.529 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.923 15.888 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.543 13.649 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.013 12.981 7.283 1.00 0.00 H new ATOM 523 N LEU A 33 -3.780 14.473 5.038 1.00 0.00 N ATOM 524 CA LEU A 33 -2.367 14.142 4.892 1.00 0.00 C ATOM 525 C LEU A 33 -1.855 14.500 3.501 1.00 0.00 C ATOM 526 O LEU A 33 -0.703 14.900 3.336 1.00 0.00 O ATOM 527 CB LEU A 33 -2.136 12.656 5.170 1.00 0.00 C ATOM 528 CG LEU A 33 -1.589 11.853 3.988 1.00 0.00 C ATOM 529 CD1 LEU A 33 -0.073 11.770 4.057 1.00 0.00 C ATOM 530 CD2 LEU A 33 -2.201 10.460 3.963 1.00 0.00 C ATOM 0 H LEU A 33 -4.266 14.662 4.161 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.810 14.731 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.442 12.562 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.079 12.210 5.487 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.863 12.365 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.299 11.195 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.348 12.775 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.223 11.280 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.801 9.902 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.957 9.939 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.284 10.540 3.866 1.00 0.00 H new ATOM 542 N GLY A 34 -2.719 14.354 2.511 1.00 0.00 N ATOM 543 CA GLY A 34 -2.344 14.666 1.144 1.00 0.00 C ATOM 544 C GLY A 34 -1.173 13.837 0.657 1.00 0.00 C ATOM 545 O GLY A 34 -0.016 14.220 0.829 1.00 0.00 O ATOM 0 H GLY A 34 -3.677 14.024 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.200 14.499 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.090 15.724 1.073 1.00 0.00 H new ATOM 549 N LEU A 35 -1.478 12.701 0.049 1.00 0.00 N ATOM 550 CA LEU A 35 -0.452 11.809 -0.470 1.00 0.00 C ATOM 551 C LEU A 35 -0.109 12.158 -1.914 1.00 0.00 C ATOM 552 O LEU A 35 -0.998 12.350 -2.744 1.00 0.00 O ATOM 553 CB LEU A 35 -0.914 10.353 -0.377 1.00 0.00 C ATOM 554 CG LEU A 35 -1.986 9.944 -1.389 1.00 0.00 C ATOM 555 CD1 LEU A 35 -3.193 10.866 -1.291 1.00 0.00 C ATOM 556 CD2 LEU A 35 -1.419 9.955 -2.799 1.00 0.00 C ATOM 0 H LEU A 35 -2.433 12.374 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 35 0.444 11.935 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.048 9.705 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.298 10.174 0.627 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.310 8.929 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.945 10.560 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.614 10.808 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.885 11.891 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.195 9.662 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.067 10.958 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.587 9.254 -2.862 1.00 0.00 H new ATOM 568 N ASN A 36 1.184 12.245 -2.210 1.00 0.00 N ATOM 569 CA ASN A 36 1.638 12.577 -3.551 1.00 0.00 C ATOM 570 C ASN A 36 1.638 11.335 -4.442 1.00 0.00 C ATOM 571 O ASN A 36 1.450 10.218 -3.961 1.00 0.00 O ATOM 572 CB ASN A 36 3.040 13.195 -3.493 1.00 0.00 C ATOM 573 CG ASN A 36 3.452 13.906 -4.775 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.637 14.146 -5.003 1.00 0.00 O ATOM 575 ND2 ASN A 36 2.486 14.254 -5.618 1.00 0.00 N ATOM 0 H ASN A 36 1.934 12.090 -1.537 1.00 0.00 H new ATOM 0 HA ASN A 36 0.951 13.305 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.080 13.904 -2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.764 12.410 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.716 14.736 -6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.514 14.039 -5.397 1.00 0.00 H new ATOM 582 N SER A 37 1.850 11.534 -5.740 1.00 0.00 N ATOM 583 CA SER A 37 1.873 10.426 -6.687 1.00 0.00 C ATOM 584 C SER A 37 3.030 9.486 -6.387 1.00 0.00 C ATOM 585 O SER A 37 2.832 8.310 -6.086 1.00 0.00 O ATOM 586 CB SER A 37 1.983 10.952 -8.119 1.00 0.00 C ATOM 587 OG SER A 37 1.442 10.027 -9.045 1.00 0.00 O ATOM 0 H SER A 37 2.008 12.451 -6.158 1.00 0.00 H new ATOM 0 HA SER A 37 0.940 9.871 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.458 11.903 -8.202 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.029 11.143 -8.360 1.00 0.00 H new ATOM 592 N LEU A 38 4.235 10.022 -6.471 1.00 0.00 N ATOM 593 CA LEU A 38 5.440 9.247 -6.211 1.00 0.00 C ATOM 594 C LEU A 38 5.384 8.608 -4.831 1.00 0.00 C ATOM 595 O LEU A 38 5.952 7.541 -4.602 1.00 0.00 O ATOM 596 CB LEU A 38 6.677 10.142 -6.320 1.00 0.00 C ATOM 597 CG LEU A 38 6.913 11.075 -5.129 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.752 12.044 -4.976 1.00 0.00 C ATOM 599 CD2 LEU A 38 7.116 10.277 -3.849 1.00 0.00 C ATOM 0 H LEU A 38 4.407 10.996 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 38 5.504 8.455 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.555 9.508 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.590 10.746 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 38 7.820 11.649 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.935 12.700 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.656 12.643 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.831 11.485 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.282 10.961 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.230 9.674 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.982 9.624 -3.961 1.00 0.00 H new ATOM 611 N ASP A 39 4.694 9.273 -3.916 1.00 0.00 N ATOM 612 CA ASP A 39 4.560 8.783 -2.552 1.00 0.00 C ATOM 613 C ASP A 39 3.542 7.656 -2.480 1.00 0.00 C ATOM 614 O ASP A 39 3.785 6.620 -1.860 1.00 0.00 O ATOM 615 CB ASP A 39 4.150 9.920 -1.614 1.00 0.00 C ATOM 616 CG ASP A 39 3.458 9.416 -0.363 1.00 0.00 C ATOM 617 OD1 ASP A 39 2.553 8.564 -0.487 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.823 9.872 0.741 1.00 0.00 O ATOM 0 H ASP A 39 4.217 10.157 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 39 5.528 8.395 -2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.034 10.491 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.485 10.603 -2.144 1.00 0.00 H new ATOM 623 N VAL A 40 2.402 7.868 -3.118 1.00 0.00 N ATOM 624 CA VAL A 40 1.338 6.875 -3.131 1.00 0.00 C ATOM 625 C VAL A 40 1.736 5.647 -3.941 1.00 0.00 C ATOM 626 O VAL A 40 1.319 4.532 -3.637 1.00 0.00 O ATOM 627 CB VAL A 40 0.028 7.445 -3.700 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.075 7.169 -5.188 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.166 6.862 -2.958 1.00 0.00 C ATOM 0 H VAL A 40 2.189 8.721 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 40 1.175 6.587 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 40 0.029 8.526 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.009 7.581 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.765 7.635 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.055 6.093 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.087 7.274 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.171 5.778 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.097 7.116 -1.900 1.00 0.00 H new ATOM 639 N VAL A 41 2.546 5.855 -4.975 1.00 0.00 N ATOM 640 CA VAL A 41 2.995 4.758 -5.822 1.00 0.00 C ATOM 641 C VAL A 41 3.890 3.803 -5.044 1.00 0.00 C ATOM 642 O VAL A 41 3.668 2.591 -5.042 1.00 0.00 O ATOM 643 CB VAL A 41 3.760 5.268 -7.057 1.00 0.00 C ATOM 644 CG1 VAL A 41 4.525 6.540 -6.729 1.00 0.00 C ATOM 645 CG2 VAL A 41 4.702 4.192 -7.580 1.00 0.00 C ATOM 0 H VAL A 41 2.903 6.771 -5.245 1.00 0.00 H new ATOM 0 HA VAL A 41 2.101 4.232 -6.156 1.00 0.00 H new ATOM 0 HB VAL A 41 3.036 5.501 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.058 6.883 -7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.826 7.311 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.240 6.339 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.235 4.568 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.419 3.927 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.127 3.309 -7.859 1.00 0.00 H new ATOM 655 N GLU A 42 4.902 4.355 -4.385 1.00 0.00 N ATOM 656 CA GLU A 42 5.831 3.552 -3.600 1.00 0.00 C ATOM 657 C GLU A 42 5.100 2.815 -2.487 1.00 0.00 C ATOM 658 O GLU A 42 5.368 1.644 -2.217 1.00 0.00 O ATOM 659 CB GLU A 42 6.931 4.436 -3.010 1.00 0.00 C ATOM 660 CG GLU A 42 6.708 4.792 -1.550 1.00 0.00 C ATOM 661 CD GLU A 42 6.786 3.585 -0.636 1.00 0.00 C ATOM 662 OE1 GLU A 42 7.785 2.840 -0.723 1.00 0.00 O ATOM 663 OE2 GLU A 42 5.849 3.384 0.164 1.00 0.00 O ATOM 0 H GLU A 42 5.100 5.356 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 42 6.287 2.815 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.888 3.924 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.999 5.355 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.453 5.525 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.731 5.264 -1.440 1.00 0.00 H new ATOM 670 N VAL A 43 4.174 3.512 -1.847 1.00 0.00 N ATOM 671 CA VAL A 43 3.391 2.937 -0.760 1.00 0.00 C ATOM 672 C VAL A 43 2.499 1.813 -1.261 1.00 0.00 C ATOM 673 O VAL A 43 2.546 0.690 -0.758 1.00 0.00 O ATOM 674 CB VAL A 43 2.510 3.994 -0.074 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.011 5.015 -1.081 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.346 3.331 0.627 1.00 0.00 C ATOM 0 H VAL A 43 3.944 4.482 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 43 4.106 2.544 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 43 3.114 4.515 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.390 5.753 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.862 5.514 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.423 4.512 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.731 4.091 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.746 2.786 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.722 2.638 1.380 1.00 0.00 H new ATOM 686 N VAL A 44 1.693 2.128 -2.262 1.00 0.00 N ATOM 687 CA VAL A 44 0.786 1.155 -2.853 1.00 0.00 C ATOM 688 C VAL A 44 1.569 -0.041 -3.361 1.00 0.00 C ATOM 689 O VAL A 44 1.088 -1.174 -3.345 1.00 0.00 O ATOM 690 CB VAL A 44 -0.017 1.761 -4.021 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.673 3.065 -3.602 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.878 1.967 -5.233 1.00 0.00 C ATOM 0 H VAL A 44 1.648 3.055 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 44 0.086 0.846 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.806 1.061 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.235 3.476 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.350 2.880 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.094 3.776 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.294 2.395 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.691 2.645 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.291 1.009 -5.548 1.00 0.00 H new ATOM 702 N PHE A 45 2.788 0.228 -3.804 1.00 0.00 N ATOM 703 CA PHE A 45 3.667 -0.805 -4.313 1.00 0.00 C ATOM 704 C PHE A 45 4.264 -1.607 -3.166 1.00 0.00 C ATOM 705 O PHE A 45 4.613 -2.778 -3.320 1.00 0.00 O ATOM 706 CB PHE A 45 4.778 -0.174 -5.146 1.00 0.00 C ATOM 707 CG PHE A 45 4.780 -0.632 -6.570 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.342 -1.847 -6.905 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.222 0.149 -7.567 1.00 0.00 C ATOM 710 CE1 PHE A 45 5.351 -2.283 -8.217 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.225 -0.279 -8.881 1.00 0.00 C ATOM 712 CZ PHE A 45 4.791 -1.497 -9.207 1.00 0.00 C ATOM 0 H PHE A 45 3.191 1.165 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 45 3.088 -1.480 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.671 0.910 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.741 -0.410 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.780 -2.464 -6.134 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.780 1.102 -7.316 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.794 -3.235 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.786 0.337 -9.652 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.796 -1.834 -10.233 1.00 0.00 H new ATOM 722 N ALA A 46 4.373 -0.959 -2.016 1.00 0.00 N ATOM 723 CA ALA A 46 4.922 -1.590 -0.825 1.00 0.00 C ATOM 724 C ALA A 46 4.011 -2.698 -0.321 1.00 0.00 C ATOM 725 O ALA A 46 4.259 -3.881 -0.554 1.00 0.00 O ATOM 726 CB ALA A 46 5.147 -0.552 0.266 1.00 0.00 C ATOM 0 H ALA A 46 4.086 0.011 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 46 5.880 -2.037 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.558 -1.038 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.846 0.205 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.198 -0.079 0.519 1.00 0.00 H new ATOM 732 N ILE A 47 2.953 -2.301 0.371 1.00 0.00 N ATOM 733 CA ILE A 47 1.995 -3.255 0.915 1.00 0.00 C ATOM 734 C ILE A 47 1.594 -4.285 -0.137 1.00 0.00 C ATOM 735 O ILE A 47 1.604 -5.489 0.124 1.00 0.00 O ATOM 736 CB ILE A 47 0.731 -2.547 1.446 1.00 0.00 C ATOM 737 CG1 ILE A 47 -0.029 -1.867 0.306 1.00 0.00 C ATOM 738 CG2 ILE A 47 1.105 -1.533 2.517 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.628 -0.595 -0.187 1.00 0.00 C ATOM 0 H ILE A 47 2.735 -1.324 0.570 1.00 0.00 H new ATOM 0 HA ILE A 47 2.486 -3.762 1.746 1.00 0.00 H new ATOM 0 HB ILE A 47 0.077 -3.298 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.120 -2.565 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.040 -1.637 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.204 -1.041 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.601 -2.043 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.779 -0.788 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.034 -0.168 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.694 0.121 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.629 -0.821 -0.553 1.00 0.00 H new ATOM 751 N GLU A 48 1.254 -3.809 -1.330 1.00 0.00 N ATOM 752 CA GLU A 48 0.864 -4.698 -2.416 1.00 0.00 C ATOM 753 C GLU A 48 1.957 -5.723 -2.675 1.00 0.00 C ATOM 754 O GLU A 48 1.683 -6.883 -2.990 1.00 0.00 O ATOM 755 CB GLU A 48 0.582 -3.895 -3.687 1.00 0.00 C ATOM 756 CG GLU A 48 0.737 -4.701 -4.967 1.00 0.00 C ATOM 757 CD GLU A 48 2.167 -5.142 -5.209 1.00 0.00 C ATOM 758 OE1 GLU A 48 3.090 -4.467 -4.707 1.00 0.00 O ATOM 759 OE2 GLU A 48 2.364 -6.163 -5.901 1.00 0.00 O ATOM 0 H GLU A 48 1.241 -2.817 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.047 -5.222 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.432 -3.499 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.257 -3.040 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.093 -5.579 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.397 -4.102 -5.812 1.00 0.00 H new ATOM 766 N GLN A 49 3.198 -5.283 -2.529 1.00 0.00 N ATOM 767 CA GLN A 49 4.349 -6.151 -2.734 1.00 0.00 C ATOM 768 C GLN A 49 4.252 -7.387 -1.849 1.00 0.00 C ATOM 769 O GLN A 49 4.344 -8.516 -2.333 1.00 0.00 O ATOM 770 CB GLN A 49 5.646 -5.395 -2.436 1.00 0.00 C ATOM 771 CG GLN A 49 6.894 -6.116 -2.917 1.00 0.00 C ATOM 772 CD GLN A 49 7.949 -5.164 -3.449 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.141 -5.337 -3.196 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.512 -4.153 -4.191 1.00 0.00 N ATOM 0 H GLN A 49 3.435 -4.326 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 49 4.357 -6.468 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.600 -4.412 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.723 -5.231 -1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.314 -6.695 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.621 -6.824 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.514 -4.049 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.174 -3.480 -4.577 1.00 0.00 H new ATOM 783 N GLU A 50 4.065 -7.170 -0.551 1.00 0.00 N ATOM 784 CA GLU A 50 3.954 -8.267 0.389 1.00 0.00 C ATOM 785 C GLU A 50 2.509 -8.470 0.834 1.00 0.00 C ATOM 786 O GLU A 50 2.248 -8.840 1.978 1.00 0.00 O ATOM 787 CB GLU A 50 4.845 -8.016 1.607 1.00 0.00 C ATOM 788 CG GLU A 50 4.124 -7.326 2.754 1.00 0.00 C ATOM 789 CD GLU A 50 4.113 -8.159 4.020 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.850 -9.166 4.075 1.00 0.00 O ATOM 791 OE2 GLU A 50 3.366 -7.806 4.957 1.00 0.00 O ATOM 0 H GLU A 50 3.988 -6.243 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 50 4.286 -9.174 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.243 -8.968 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.697 -7.407 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.605 -6.369 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.098 -7.111 2.456 1.00 0.00 H new ATOM 798 N PHE A 51 1.575 -8.235 -0.083 1.00 0.00 N ATOM 799 CA PHE A 51 0.161 -8.400 0.205 1.00 0.00 C ATOM 800 C PHE A 51 -0.538 -9.210 -0.885 1.00 0.00 C ATOM 801 O PHE A 51 -1.678 -9.639 -0.714 1.00 0.00 O ATOM 802 CB PHE A 51 -0.518 -7.039 0.367 1.00 0.00 C ATOM 803 CG PHE A 51 -0.414 -6.477 1.757 1.00 0.00 C ATOM 804 CD1 PHE A 51 0.157 -7.220 2.778 1.00 0.00 C ATOM 805 CD2 PHE A 51 -0.885 -5.206 2.043 1.00 0.00 C ATOM 806 CE1 PHE A 51 0.255 -6.706 4.058 1.00 0.00 C ATOM 807 CE2 PHE A 51 -0.790 -4.687 3.320 1.00 0.00 C ATOM 808 CZ PHE A 51 -0.218 -5.438 4.328 1.00 0.00 C ATOM 0 H PHE A 51 1.777 -7.929 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 51 0.077 -8.950 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.073 -6.334 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.571 -7.133 0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.530 -8.212 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.332 -4.614 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.701 -7.296 4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.163 -3.695 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.141 -5.033 5.326 1.00 0.00 H new ATOM 818 N ILE A 52 0.152 -9.422 -2.005 1.00 0.00 N ATOM 819 CA ILE A 52 -0.407 -10.186 -3.114 1.00 0.00 C ATOM 820 C ILE A 52 -1.608 -9.476 -3.728 1.00 0.00 C ATOM 821 O ILE A 52 -2.549 -10.118 -4.195 1.00 0.00 O ATOM 822 CB ILE A 52 -0.838 -11.596 -2.665 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.149 -11.972 -1.354 1.00 0.00 C ATOM 824 CG2 ILE A 52 -0.523 -12.618 -3.747 1.00 0.00 C ATOM 825 CD1 ILE A 52 -1.114 -12.203 -0.211 1.00 0.00 C ATOM 0 H ILE A 52 1.098 -9.075 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 52 0.381 -10.272 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.915 -11.593 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.442 -12.875 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.547 -11.180 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.834 -13.608 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.058 -12.358 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.549 -12.621 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.557 -12.466 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.687 -11.294 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.794 -13.016 -0.467 1.00 0.00 H new ATOM 837 N LEU A 53 -1.567 -8.149 -3.729 1.00 0.00 N ATOM 838 CA LEU A 53 -2.647 -7.353 -4.292 1.00 0.00 C ATOM 839 C LEU A 53 -2.213 -5.904 -4.482 1.00 0.00 C ATOM 840 O LEU A 53 -1.599 -5.308 -3.598 1.00 0.00 O ATOM 841 CB LEU A 53 -3.881 -7.417 -3.389 1.00 0.00 C ATOM 842 CG LEU A 53 -3.911 -6.385 -2.259 1.00 0.00 C ATOM 843 CD1 LEU A 53 -4.434 -5.052 -2.770 1.00 0.00 C ATOM 844 CD2 LEU A 53 -4.763 -6.888 -1.104 1.00 0.00 C ATOM 0 H LEU A 53 -0.796 -7.602 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.900 -7.767 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.770 -7.285 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.941 -8.414 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.894 -6.238 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.449 -4.330 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.784 -4.687 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.444 -5.182 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.774 -6.143 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.781 -7.063 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.345 -7.820 -0.722 1.00 0.00 H new ATOM 856 N ASP A 54 -2.535 -5.345 -5.644 1.00 0.00 N ATOM 857 CA ASP A 54 -2.180 -3.972 -5.954 1.00 0.00 C ATOM 858 C ASP A 54 -3.242 -3.001 -5.452 1.00 0.00 C ATOM 859 O ASP A 54 -4.438 -3.294 -5.500 1.00 0.00 O ATOM 860 CB ASP A 54 -1.988 -3.801 -7.463 1.00 0.00 C ATOM 861 CG ASP A 54 -1.599 -5.096 -8.147 1.00 0.00 C ATOM 862 OD1 ASP A 54 -0.527 -5.646 -7.813 1.00 0.00 O ATOM 863 OD2 ASP A 54 -2.364 -5.561 -9.017 1.00 0.00 O ATOM 0 H ASP A 54 -3.043 -5.827 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.243 -3.746 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.911 -3.424 -7.903 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.218 -3.051 -7.646 1.00 0.00 H new ATOM 868 N ILE A 55 -2.800 -1.846 -4.968 1.00 0.00 N ATOM 869 CA ILE A 55 -3.708 -0.834 -4.459 1.00 0.00 C ATOM 870 C ILE A 55 -3.849 0.344 -5.425 1.00 0.00 C ATOM 871 O ILE A 55 -4.695 1.216 -5.224 1.00 0.00 O ATOM 872 CB ILE A 55 -3.243 -0.306 -3.087 1.00 0.00 C ATOM 873 CG1 ILE A 55 -4.248 -0.691 -2.001 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.058 1.203 -3.135 1.00 0.00 C ATOM 875 CD1 ILE A 55 -5.402 0.280 -1.874 1.00 0.00 C ATOM 0 H ILE A 55 -1.814 -1.590 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.679 -1.317 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.283 -0.762 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.642 -1.684 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.730 -0.755 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.730 1.561 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.308 1.454 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.004 1.677 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.075 -0.056 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.019 1.270 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.944 0.326 -2.818 1.00 0.00 H new ATOM 887 N PRO A 56 -3.025 0.393 -6.487 1.00 0.00 N ATOM 888 CA PRO A 56 -3.076 1.479 -7.470 1.00 0.00 C ATOM 889 C PRO A 56 -4.289 1.375 -8.387 1.00 0.00 C ATOM 890 O PRO A 56 -5.235 0.640 -8.102 1.00 0.00 O ATOM 891 CB PRO A 56 -1.785 1.295 -8.266 1.00 0.00 C ATOM 892 CG PRO A 56 -1.484 -0.159 -8.165 1.00 0.00 C ATOM 893 CD PRO A 56 -1.983 -0.598 -6.814 1.00 0.00 C ATOM 0 HA PRO A 56 -3.164 2.456 -6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.912 1.602 -9.304 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.976 1.897 -7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.978 -0.715 -8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.414 -0.343 -8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.388 -1.609 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.184 -0.598 -6.073 1.00 0.00 H new ATOM 901 N ASP A 57 -4.257 2.118 -9.489 1.00 0.00 N ATOM 902 CA ASP A 57 -5.355 2.111 -10.448 1.00 0.00 C ATOM 903 C ASP A 57 -6.667 2.492 -9.771 1.00 0.00 C ATOM 904 O ASP A 57 -6.678 2.955 -8.631 1.00 0.00 O ATOM 905 CB ASP A 57 -5.485 0.731 -11.097 1.00 0.00 C ATOM 906 CG ASP A 57 -4.798 -0.354 -10.291 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.569 -0.515 -10.440 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.490 -1.043 -9.513 1.00 0.00 O ATOM 0 H ASP A 57 -3.482 2.732 -9.740 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.136 2.848 -11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.541 0.483 -11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.057 0.762 -12.099 1.00 0.00 H new ATOM 913 N HIS A 58 -7.773 2.295 -10.482 1.00 0.00 N ATOM 914 CA HIS A 58 -9.091 2.620 -9.949 1.00 0.00 C ATOM 915 C HIS A 58 -9.200 2.217 -8.483 1.00 0.00 C ATOM 916 O HIS A 58 -9.956 2.816 -7.718 1.00 0.00 O ATOM 917 CB HIS A 58 -10.180 1.920 -10.764 1.00 0.00 C ATOM 918 CG HIS A 58 -9.646 1.086 -11.887 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.029 1.257 -13.201 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.750 0.070 -11.888 1.00 0.00 C ATOM 921 CE1 HIS A 58 -9.394 0.383 -13.961 1.00 0.00 C ATOM 922 NE2 HIS A 58 -8.612 -0.348 -13.188 1.00 0.00 N ATOM 0 H HIS A 58 -7.783 1.912 -11.427 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.228 3.699 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.768 1.287 -10.100 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.857 2.671 -11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.240 -0.335 -11.027 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.497 0.283 -15.031 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.003 -1.102 -13.506 1.00 0.00 H new ATOM 931 N ASP A 59 -8.440 1.196 -8.095 1.00 0.00 N ATOM 932 CA ASP A 59 -8.453 0.713 -6.720 1.00 0.00 C ATOM 933 C ASP A 59 -7.955 1.787 -5.759 1.00 0.00 C ATOM 934 O ASP A 59 -8.551 2.015 -4.705 1.00 0.00 O ATOM 935 CB ASP A 59 -7.590 -0.544 -6.592 1.00 0.00 C ATOM 936 CG ASP A 59 -7.948 -1.599 -7.620 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.090 -1.572 -8.125 1.00 0.00 O ATOM 938 OD2 ASP A 59 -7.086 -2.452 -7.919 1.00 0.00 O ATOM 0 H ASP A 59 -7.808 0.688 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.482 0.468 -6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.540 -0.273 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.707 -0.961 -5.592 1.00 0.00 H new ATOM 943 N ALA A 60 -6.859 2.443 -6.127 1.00 0.00 N ATOM 944 CA ALA A 60 -6.282 3.489 -5.297 1.00 0.00 C ATOM 945 C ALA A 60 -6.986 4.820 -5.523 1.00 0.00 C ATOM 946 O ALA A 60 -6.993 5.689 -4.650 1.00 0.00 O ATOM 947 CB ALA A 60 -4.792 3.622 -5.575 1.00 0.00 C ATOM 0 H ALA A 60 -6.354 2.267 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.421 3.208 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.373 4.408 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.295 2.678 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.639 3.875 -6.624 1.00 0.00 H new ATOM 953 N GLU A 61 -7.575 4.973 -6.702 1.00 0.00 N ATOM 954 CA GLU A 61 -8.283 6.196 -7.052 1.00 0.00 C ATOM 955 C GLU A 61 -9.615 6.286 -6.314 1.00 0.00 C ATOM 956 O GLU A 61 -10.046 7.369 -5.920 1.00 0.00 O ATOM 957 CB GLU A 61 -8.518 6.260 -8.562 1.00 0.00 C ATOM 958 CG GLU A 61 -7.368 6.890 -9.331 1.00 0.00 C ATOM 959 CD GLU A 61 -6.012 6.459 -8.807 1.00 0.00 C ATOM 960 OE1 GLU A 61 -5.575 7.006 -7.772 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.387 5.576 -9.431 1.00 0.00 O ATOM 0 H GLU A 61 -7.576 4.262 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.665 7.042 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.686 5.251 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.428 6.828 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.449 6.621 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.448 7.975 -9.273 1.00 0.00 H new ATOM 968 N LYS A 62 -10.263 5.139 -6.133 1.00 0.00 N ATOM 969 CA LYS A 62 -11.545 5.085 -5.446 1.00 0.00 C ATOM 970 C LYS A 62 -11.370 5.274 -3.942 1.00 0.00 C ATOM 971 O LYS A 62 -12.296 5.039 -3.165 1.00 0.00 O ATOM 972 CB LYS A 62 -12.242 3.752 -5.726 1.00 0.00 C ATOM 973 CG LYS A 62 -13.093 3.763 -6.986 1.00 0.00 C ATOM 974 CD LYS A 62 -12.952 2.465 -7.764 1.00 0.00 C ATOM 975 CE LYS A 62 -13.844 2.454 -8.994 1.00 0.00 C ATOM 976 NZ LYS A 62 -14.189 3.832 -9.443 1.00 0.00 N ATOM 0 H LYS A 62 -9.919 4.234 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.164 5.899 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.489 2.969 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.872 3.495 -4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.139 3.917 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.799 4.601 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.913 2.331 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.208 1.624 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.341 1.924 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.759 1.904 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.668 3.787 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.821 4.276 -8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.320 4.396 -9.531 1.00 0.00 H new ATOM 990 N ILE A 63 -10.177 5.698 -3.538 1.00 0.00 N ATOM 991 CA ILE A 63 -9.881 5.914 -2.131 1.00 0.00 C ATOM 992 C ILE A 63 -9.803 7.403 -1.807 1.00 0.00 C ATOM 993 O ILE A 63 -9.004 8.136 -2.391 1.00 0.00 O ATOM 994 CB ILE A 63 -8.558 5.239 -1.724 1.00 0.00 C ATOM 995 CG1 ILE A 63 -8.755 4.402 -0.459 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.471 6.283 -1.511 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.285 2.971 -0.603 1.00 0.00 C ATOM 0 H ILE A 63 -9.400 5.898 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.697 5.465 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.244 4.577 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.218 4.871 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.812 4.404 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.543 5.789 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.315 6.839 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.776 6.970 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.455 2.436 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.840 2.485 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.221 2.960 -0.839 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.638 7.844 -0.871 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.667 9.236 -0.469 1.00 0.00 C ATOM 1011 C GLN A 64 -10.301 9.386 1.005 1.00 0.00 C ATOM 1012 O GLN A 64 -9.637 10.346 1.395 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.047 9.841 -0.730 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.878 9.050 -1.729 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.235 7.667 -1.223 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -12.871 6.659 -1.829 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.955 7.612 -0.108 1.00 0.00 N ATOM 0 H GLN A 64 -11.304 7.250 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.928 9.773 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.591 9.905 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.925 10.860 -1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.793 9.599 -1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.326 8.959 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.235 8.473 0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.228 6.709 0.279 1.00 0.00 H new ATOM 1026 N SER A 65 -10.740 8.431 1.819 1.00 0.00 N ATOM 1027 CA SER A 65 -10.458 8.456 3.249 1.00 0.00 C ATOM 1028 C SER A 65 -9.575 7.278 3.649 1.00 0.00 C ATOM 1029 O SER A 65 -9.592 6.230 3.003 1.00 0.00 O ATOM 1030 CB SER A 65 -11.763 8.426 4.046 1.00 0.00 C ATOM 1031 OG SER A 65 -11.581 8.964 5.344 1.00 0.00 O ATOM 0 H SER A 65 -11.292 7.630 1.512 1.00 0.00 H new ATOM 0 HA SER A 65 -9.924 9.379 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.528 8.994 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.123 7.400 4.122 1.00 0.00 H new ATOM 0 HG SER A 65 -11.691 9.937 5.313 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.801 7.458 4.715 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.909 6.410 5.196 1.00 0.00 C ATOM 1039 C ILE A 66 -8.671 5.116 5.474 1.00 0.00 C ATOM 1040 O ILE A 66 -8.162 4.022 5.232 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.158 6.836 6.474 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.741 8.134 7.036 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.674 7.000 6.185 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -7.387 8.376 8.487 1.00 0.00 C ATOM 0 H ILE A 66 -8.774 8.319 5.261 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.182 6.238 4.403 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.282 6.054 7.223 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.383 8.972 6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.826 8.110 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.157 7.301 7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.265 6.053 5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.535 7.764 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.833 9.313 8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.769 7.557 9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.304 8.433 8.593 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.905 5.224 5.991 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.735 4.059 6.303 1.00 0.00 C ATOM 1058 C PRO A 67 -10.776 3.049 5.159 1.00 0.00 C ATOM 1059 O PRO A 67 -10.194 1.971 5.253 1.00 0.00 O ATOM 1060 CB PRO A 67 -12.120 4.663 6.536 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.851 6.053 7.001 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.587 6.492 6.312 1.00 0.00 C ATOM 0 HA PRO A 67 -10.350 3.501 7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.713 4.659 5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.679 4.097 7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.680 6.714 6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.734 6.085 8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.801 7.070 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.977 7.122 6.959 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.466 3.406 4.080 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.580 2.524 2.923 1.00 0.00 C ATOM 1072 C ASP A 68 -10.206 2.071 2.441 1.00 0.00 C ATOM 1073 O ASP A 68 -10.090 1.105 1.688 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.322 3.234 1.788 1.00 0.00 C ATOM 1075 CG ASP A 68 -11.625 4.508 1.350 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -10.419 4.654 1.638 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -12.288 5.359 0.720 1.00 0.00 O ATOM 0 H ASP A 68 -11.953 4.297 3.983 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.145 1.642 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.409 2.559 0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.336 3.470 2.112 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.170 2.779 2.874 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.805 2.456 2.483 1.00 0.00 C ATOM 1084 C ALA A 69 -7.316 1.177 3.153 1.00 0.00 C ATOM 1085 O ALA A 69 -7.412 0.086 2.589 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.875 3.614 2.812 1.00 0.00 C ATOM 0 H ALA A 69 -9.250 3.582 3.497 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.799 2.288 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.858 3.359 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.198 4.505 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.902 3.809 3.884 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.782 1.326 4.358 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.258 0.195 5.112 1.00 0.00 C ATOM 1094 C VAL A 70 -7.364 -0.780 5.496 1.00 0.00 C ATOM 1095 O VAL A 70 -7.108 -1.958 5.742 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.535 0.665 6.389 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.400 1.651 7.160 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -5.162 -0.522 7.262 1.00 0.00 C ATOM 0 H VAL A 70 -6.700 2.223 4.836 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.547 -0.314 4.462 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.616 1.173 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.873 1.972 8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.610 2.518 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.337 1.171 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.653 -0.169 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.065 -1.062 7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.501 -1.188 6.708 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.593 -0.284 5.543 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.735 -1.116 5.892 1.00 0.00 C ATOM 1110 C GLU A 71 -10.007 -2.149 4.804 1.00 0.00 C ATOM 1111 O GLU A 71 -10.350 -3.295 5.094 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.978 -0.253 6.117 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.746 0.051 4.841 1.00 0.00 C ATOM 1114 CD GLU A 71 -13.024 0.825 5.101 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -12.965 2.072 5.144 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -14.084 0.184 5.260 1.00 0.00 O ATOM 0 H GLU A 71 -8.824 0.689 5.344 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.498 -1.642 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.641 -0.761 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.679 0.686 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.110 0.623 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.988 -0.884 4.335 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.855 -1.735 3.549 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.088 -2.625 2.421 1.00 0.00 C ATOM 1125 C TYR A 72 -9.021 -3.708 2.351 1.00 0.00 C ATOM 1126 O TYR A 72 -9.331 -4.893 2.230 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.124 -1.834 1.113 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.043 -2.230 0.132 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -7.795 -1.623 0.166 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.271 -3.209 -0.825 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -6.804 -1.979 -0.727 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.285 -3.572 -1.723 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.054 -2.954 -1.670 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.069 -3.312 -2.562 1.00 0.00 O ATOM 0 H TYR A 72 -9.572 -0.790 3.290 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.055 -3.107 2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.097 -1.972 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.026 -0.772 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.596 -0.859 0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.234 -3.695 -0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.838 -1.497 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.478 -4.336 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.465 -3.454 -3.447 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.764 -3.294 2.432 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.652 -4.235 2.383 1.00 0.00 C ATOM 1146 C ILE A 73 -6.622 -5.112 3.627 1.00 0.00 C ATOM 1147 O ILE A 73 -6.161 -6.252 3.591 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.290 -3.525 2.238 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.325 -2.144 2.896 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.903 -3.418 0.770 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.240 -0.998 1.913 1.00 0.00 C ATOM 0 H ILE A 73 -7.489 -2.317 2.532 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.815 -4.853 1.500 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.534 -4.120 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.246 -2.049 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.498 -2.067 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.940 -2.915 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.831 -4.417 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.661 -2.846 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.271 -0.052 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.307 -1.066 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.081 -1.048 1.222 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.118 -4.570 4.730 1.00 0.00 N ATOM 1164 CA ALA A 74 -7.149 -5.297 5.990 1.00 0.00 C ATOM 1165 C ALA A 74 -8.073 -6.505 5.903 1.00 0.00 C ATOM 1166 O ALA A 74 -7.770 -7.576 6.430 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.584 -4.377 7.122 1.00 0.00 C ATOM 0 H ALA A 74 -7.505 -3.627 4.777 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.141 -5.657 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.602 -4.935 8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.881 -3.548 7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.580 -3.988 6.912 1.00 0.00 H new ATOM 1173 N GLN A 75 -9.200 -6.321 5.232 1.00 0.00 N ATOM 1174 CA GLN A 75 -10.176 -7.386 5.074 1.00 0.00 C ATOM 1175 C GLN A 75 -9.751 -8.355 3.985 1.00 0.00 C ATOM 1176 O GLN A 75 -9.681 -9.565 4.206 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.553 -6.803 4.748 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.855 -5.509 5.485 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.960 -5.301 6.691 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -10.345 -6.242 7.192 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -10.883 -4.062 7.165 1.00 0.00 N ATOM 0 H GLN A 75 -9.461 -5.441 4.787 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.235 -7.931 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.618 -6.624 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.318 -7.539 4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.736 -4.669 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.896 -5.513 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.410 -3.311 6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.297 -3.861 7.975 1.00 0.00 H new ATOM 1190 N ASN A 76 -9.455 -7.818 2.815 1.00 0.00 N ATOM 1191 CA ASN A 76 -9.022 -8.640 1.695 1.00 0.00 C ATOM 1192 C ASN A 76 -8.133 -9.772 2.198 1.00 0.00 C ATOM 1193 O ASN A 76 -8.593 -10.898 2.386 1.00 0.00 O ATOM 1194 CB ASN A 76 -8.268 -7.794 0.667 1.00 0.00 C ATOM 1195 CG ASN A 76 -9.160 -7.340 -0.472 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -9.566 -8.139 -1.314 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -9.468 -6.048 -0.503 1.00 0.00 N ATOM 0 H ASN A 76 -9.506 -6.819 2.614 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.902 -9.064 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.841 -6.921 1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.435 -8.372 0.265 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.064 -5.683 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.109 -5.421 0.217 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.846 -9.480 2.432 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.886 -10.469 2.927 1.00 0.00 C ATOM 1206 C PRO A 77 -6.338 -11.110 4.238 1.00 0.00 C ATOM 1207 O PRO A 77 -6.092 -12.293 4.475 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.600 -9.659 3.144 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.030 -8.231 3.139 1.00 0.00 C ATOM 1210 CD PRO A 77 -6.229 -8.166 2.238 1.00 0.00 C ATOM 0 HA PRO A 77 -5.766 -11.297 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.123 -9.923 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.874 -9.854 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.279 -7.894 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.232 -7.584 2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.903 -7.356 2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.946 -8.000 1.198 1.00 0.00 H new ATOM 1218 N MET A 78 -6.999 -10.326 5.089 1.00 0.00 N ATOM 1219 CA MET A 78 -7.478 -10.833 6.373 1.00 0.00 C ATOM 1220 C MET A 78 -8.300 -12.103 6.188 1.00 0.00 C ATOM 1221 O MET A 78 -8.515 -12.858 7.137 1.00 0.00 O ATOM 1222 CB MET A 78 -8.317 -9.771 7.085 1.00 0.00 C ATOM 1223 CG MET A 78 -9.325 -10.350 8.065 1.00 0.00 C ATOM 1224 SD MET A 78 -11.005 -10.358 7.410 1.00 0.00 S ATOM 1225 CE MET A 78 -11.959 -10.295 8.924 1.00 0.00 C ATOM 0 H MET A 78 -7.214 -9.344 4.914 1.00 0.00 H new ATOM 0 HA MET A 78 -6.608 -11.071 6.985 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.652 -9.092 7.619 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.847 -9.178 6.339 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.034 -11.369 8.320 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.302 -9.771 8.988 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.022 -10.294 8.684 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.726 -11.166 9.537 1.00 0.00 H new ATOM 0 HE3 MET A 78 -11.710 -9.387 9.473 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.759 -12.337 4.963 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.554 -13.512 4.659 1.00 0.00 C ATOM 1237 C ALA A 79 -9.234 -14.058 3.272 1.00 0.00 C ATOM 1238 O ALA A 79 -9.978 -14.875 2.730 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.037 -13.194 4.779 1.00 0.00 C ATOM 0 H ALA A 79 -8.591 -11.724 4.165 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.300 -14.284 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.620 -14.085 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.258 -12.869 5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.296 -12.399 4.080 1.00 0.00 H new ATOM 1245 N LYS A 80 -8.124 -13.600 2.702 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.703 -14.041 1.376 1.00 0.00 C ATOM 1247 C LYS A 80 -8.499 -15.263 0.929 1.00 0.00 C ATOM 1248 O LYS A 80 -9.017 -15.247 -0.208 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.208 -14.365 1.375 1.00 0.00 C ATOM 1250 CG LYS A 80 -5.322 -13.145 1.189 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.134 -13.451 0.292 1.00 0.00 C ATOM 1252 CE LYS A 80 -4.460 -13.193 -1.171 1.00 0.00 C ATOM 1253 NZ LYS A 80 -3.537 -13.925 -2.082 1.00 0.00 N ATOM 1254 OXT LYS A 80 -8.597 -16.226 1.717 1.00 0.00 O ATOM 0 H LYS A 80 -7.499 -12.922 3.138 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.894 -13.229 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.949 -14.852 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.000 -15.080 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.906 -12.332 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.967 -12.801 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.284 -12.837 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.837 -14.492 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.487 -13.497 -1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.398 -12.124 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.080 -13.250 -2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.811 -14.414 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.075 -14.623 -2.634 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 0.879 10.820 -10.329 1.00 0.00 P HETATM 1270 O25 PNS A 101 -0.435 11.651 -9.912 1.00 0.00 O HETATM 1271 O26 PNS A 101 0.504 9.767 -11.488 1.00 0.00 O HETATM 1272 O27 PNS A 101 2.007 11.834 -10.870 1.00 0.00 O HETATM 1273 C28 PNS A 101 1.683 13.166 -10.467 1.00 0.00 C HETATM 1274 C29 PNS A 101 2.951 13.922 -10.127 1.00 0.00 C HETATM 1275 C30 PNS A 101 3.009 14.163 -8.640 1.00 0.00 C HETATM 1276 C31 PNS A 101 4.149 13.111 -10.551 1.00 0.00 C HETATM 1277 C32 PNS A 101 2.958 15.258 -10.857 1.00 0.00 C HETATM 1278 O33 PNS A 101 1.664 15.739 -11.210 1.00 0.00 O HETATM 1279 C34 PNS A 101 4.074 16.233 -10.612 1.00 0.00 C HETATM 1280 O35 PNS A 101 4.009 17.051 -9.694 1.00 0.00 O HETATM 1281 N36 PNS A 101 5.220 15.711 -11.036 1.00 0.00 N HETATM 1282 C37 PNS A 101 5.394 15.099 -12.351 1.00 0.00 C HETATM 1283 C38 PNS A 101 4.663 15.871 -13.438 1.00 0.00 C HETATM 1284 C39 PNS A 101 5.316 17.203 -13.748 1.00 0.00 C HETATM 1285 O40 PNS A 101 4.882 17.926 -14.645 1.00 0.00 O HETATM 1286 N41 PNS A 101 5.894 17.679 -12.650 1.00 0.00 N HETATM 1287 C42 PNS A 101 7.279 17.401 -12.280 1.00 0.00 C HETATM 1288 C43 PNS A 101 8.002 18.649 -11.800 1.00 0.00 C HETATM 1289 S44 PNS A 101 6.984 19.584 -10.634 1.00 0.00 S HETATM 0 H432 PNS A 101 8.941 18.368 -11.323 1.00 0.00 H new HETATM 0 H431 PNS A 101 8.253 19.278 -12.654 1.00 0.00 H new HETATM 0 H422 PNS A 101 7.807 16.984 -13.138 1.00 0.00 H new HETATM 0 H421 PNS A 101 7.300 16.645 -11.495 1.00 0.00 H new HETATM 0 H382 PNS A 101 3.632 16.040 -13.127 1.00 0.00 H new HETATM 0 H381 PNS A 101 4.628 15.268 -14.345 1.00 0.00 H new HETATM 0 H372 PNS A 101 5.027 14.073 -12.325 1.00 0.00 H new HETATM 0 H371 PNS A 101 6.456 15.052 -12.591 1.00 0.00 H new HETATM 0 H313 PNS A 101 5.061 13.655 -10.306 1.00 0.00 H new HETATM 0 H312 PNS A 101 4.108 12.936 -11.626 1.00 0.00 H new HETATM 0 H311 PNS A 101 4.145 12.155 -10.027 1.00 0.00 H new HETATM 0 H303 PNS A 101 3.921 14.707 -8.395 1.00 0.00 H new HETATM 0 H302 PNS A 101 3.005 13.207 -8.116 1.00 0.00 H new HETATM 0 H301 PNS A 101 2.143 14.749 -8.332 1.00 0.00 H new HETATM 0 H282 PNS A 101 1.020 13.143 -9.602 1.00 0.00 H new HETATM 0 H281 PNS A 101 1.147 13.677 -11.267 1.00 0.00 H new HETATM 0 H44 PNS A 101 5.978 18.854 -10.253 1.00 0.00 H new HETATM 0 H41 PNS A 101 5.340 18.271 -12.032 1.00 0.00 H new HETATM 0 H36 PNS A 101 6.023 15.739 -10.408 1.00 0.00 H new HETATM 0 H33 PNS A 101 1.750 16.599 -11.672 1.00 0.00 H new HETATM 0 H32 PNS A 101 3.375 14.990 -11.828 1.00 0.00 H new