USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 612 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 35 LYS NZ :NH3+ -142:sc= -1.16 (180deg=-2.92!) USER MOD Set 1.2: A 37 SER OG : rot 138:sc= 0.0807 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.155 (180deg=-0.607) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0687 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.4!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.701 (180deg=-0.976) USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 25 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.1) USER MOD Single : A 31 ASN : amide:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 33 ASN : amide:sc= -0.495 K(o=-0.49,f=-1.3) USER MOD Single : A 38 SER OG : rot 22:sc= 0.787 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0659 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.4!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.0979 USER MOD Single : A 67 SER OG : rot 55:sc= 0.0284 USER MOD Single : A 68 SER OG : rot 114:sc= 1.33 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.171 K(o=-0.17,f=-3.7!) USER MOD Single : A 78 SER OG : rot -140:sc= -0.411 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.805 3.937 -7.274 1.00 35.12 N ATOM 2 CA MET A 1 2.386 2.635 -6.766 1.00 3.41 C ATOM 3 C MET A 1 3.552 1.651 -6.767 1.00 11.43 C ATOM 4 O MET A 1 4.526 1.830 -7.496 1.00 5.22 O ATOM 5 CB MET A 1 1.235 2.081 -7.608 1.00 4.32 C ATOM 6 CG MET A 1 0.591 0.840 -7.014 1.00 32.53 C ATOM 7 SD MET A 1 -0.900 0.341 -7.897 1.00 32.15 S ATOM 8 CE MET A 1 -0.270 0.186 -9.566 1.00 5.13 C ATOM 0 H1 MET A 1 2.071 4.315 -7.906 1.00 35.12 H new ATOM 0 H2 MET A 1 2.947 4.591 -6.478 1.00 35.12 H new ATOM 0 H3 MET A 1 3.696 3.834 -7.800 1.00 35.12 H new ATOM 0 HA MET A 1 2.044 2.766 -5.739 1.00 3.41 H new ATOM 0 HB2 MET A 1 0.476 2.854 -7.724 1.00 4.32 H new ATOM 0 HB3 MET A 1 1.606 1.846 -8.606 1.00 4.32 H new ATOM 0 HG2 MET A 1 1.309 0.020 -7.029 1.00 32.53 H new ATOM 0 HG3 MET A 1 0.344 1.028 -5.969 1.00 32.53 H new ATOM 0 HE1 MET A 1 -0.827 -0.587 -10.095 1.00 5.13 H new ATOM 0 HE2 MET A 1 -0.384 1.136 -10.088 1.00 5.13 H new ATOM 0 HE3 MET A 1 0.785 -0.086 -9.533 1.00 5.13 H new ATOM 18 N ASN A 2 3.444 0.613 -5.944 1.00 63.35 N ATOM 19 CA ASN A 2 4.490 -0.399 -5.850 1.00 63.12 C ATOM 20 C ASN A 2 3.908 -1.800 -6.009 1.00 32.22 C ATOM 21 O ASN A 2 2.774 -2.061 -5.609 1.00 14.21 O ATOM 22 CB ASN A 2 5.219 -0.286 -4.509 1.00 73.24 C ATOM 23 CG ASN A 2 6.328 0.747 -4.539 1.00 51.52 C ATOM 24 OD1 ASN A 2 6.361 1.614 -5.413 1.00 70.34 O ATOM 25 ND2 ASN A 2 7.243 0.660 -3.581 1.00 44.43 N ATOM 0 H ASN A 2 2.643 0.451 -5.333 1.00 63.35 H new ATOM 0 HA ASN A 2 5.201 -0.227 -6.658 1.00 63.12 H new ATOM 0 HB2 ASN A 2 4.503 -0.024 -3.730 1.00 73.24 H new ATOM 0 HB3 ASN A 2 5.638 -1.257 -4.243 1.00 73.24 H new ATOM 0 HD21 ASN A 2 8.013 1.328 -3.549 1.00 44.43 H new ATOM 0 HD22 ASN A 2 7.176 -0.075 -2.877 1.00 44.43 H new ATOM 32 N ALA A 3 4.693 -2.699 -6.595 1.00 13.43 N ATOM 33 CA ALA A 3 4.256 -4.074 -6.804 1.00 3.52 C ATOM 34 C ALA A 3 5.449 -5.011 -6.957 1.00 43.21 C ATOM 35 O ALA A 3 6.027 -5.124 -8.038 1.00 1.33 O ATOM 36 CB ALA A 3 3.354 -4.161 -8.026 1.00 13.34 C ATOM 0 H ALA A 3 5.634 -2.500 -6.933 1.00 13.43 H new ATOM 0 HA ALA A 3 3.691 -4.387 -5.926 1.00 3.52 H new ATOM 0 HB1 ALA A 3 3.035 -5.193 -8.170 1.00 13.34 H new ATOM 0 HB2 ALA A 3 2.479 -3.528 -7.878 1.00 13.34 H new ATOM 0 HB3 ALA A 3 3.901 -3.824 -8.907 1.00 13.34 H new ATOM 42 N ALA A 4 5.813 -5.681 -5.869 1.00 4.45 N ATOM 43 CA ALA A 4 6.937 -6.609 -5.883 1.00 30.01 C ATOM 44 C ALA A 4 6.525 -7.961 -6.455 1.00 53.03 C ATOM 45 O ALA A 4 5.619 -8.614 -5.937 1.00 45.12 O ATOM 46 CB ALA A 4 7.500 -6.777 -4.480 1.00 25.53 C ATOM 0 H ALA A 4 5.346 -5.598 -4.966 1.00 4.45 H new ATOM 0 HA ALA A 4 7.712 -6.193 -6.526 1.00 30.01 H new ATOM 0 HB1 ALA A 4 8.339 -7.473 -4.505 1.00 25.53 H new ATOM 0 HB2 ALA A 4 7.841 -5.811 -4.107 1.00 25.53 H new ATOM 0 HB3 ALA A 4 6.725 -7.168 -3.821 1.00 25.53 H new ATOM 52 N GLU A 5 7.194 -8.374 -7.527 1.00 24.02 N ATOM 53 CA GLU A 5 6.895 -9.648 -8.170 1.00 22.24 C ATOM 54 C GLU A 5 7.720 -10.775 -7.555 1.00 4.14 C ATOM 55 O GLU A 5 8.916 -10.899 -7.819 1.00 24.04 O ATOM 56 CB GLU A 5 7.168 -9.563 -9.673 1.00 23.13 C ATOM 57 CG GLU A 5 6.757 -10.810 -10.438 1.00 10.23 C ATOM 58 CD GLU A 5 6.146 -10.491 -11.788 1.00 54.41 C ATOM 59 OE1 GLU A 5 6.467 -9.422 -12.348 1.00 3.10 O ATOM 60 OE2 GLU A 5 5.345 -11.311 -12.285 1.00 1.51 O ATOM 0 H GLU A 5 7.946 -7.845 -7.968 1.00 24.02 H new ATOM 0 HA GLU A 5 5.839 -9.866 -8.012 1.00 22.24 H new ATOM 0 HB2 GLU A 5 6.636 -8.704 -10.082 1.00 23.13 H new ATOM 0 HB3 GLU A 5 8.232 -9.384 -9.831 1.00 23.13 H new ATOM 0 HG2 GLU A 5 7.629 -11.449 -10.580 1.00 10.23 H new ATOM 0 HG3 GLU A 5 6.040 -11.377 -9.844 1.00 10.23 H new ATOM 67 N VAL A 6 7.073 -11.594 -6.732 1.00 73.12 N ATOM 68 CA VAL A 6 7.745 -12.711 -6.079 1.00 61.04 C ATOM 69 C VAL A 6 7.215 -14.046 -6.591 1.00 24.04 C ATOM 70 O VAL A 6 6.109 -14.460 -6.243 1.00 60.23 O ATOM 71 CB VAL A 6 7.572 -12.654 -4.550 1.00 33.20 C ATOM 72 CG1 VAL A 6 8.190 -13.880 -3.896 1.00 65.44 C ATOM 73 CG2 VAL A 6 8.182 -11.377 -3.992 1.00 61.31 C ATOM 0 H VAL A 6 6.083 -11.505 -6.502 1.00 73.12 H new ATOM 0 HA VAL A 6 8.805 -12.628 -6.320 1.00 61.04 H new ATOM 0 HB VAL A 6 6.506 -12.650 -4.323 1.00 33.20 H new ATOM 0 HG11 VAL A 6 8.058 -13.822 -2.816 1.00 65.44 H new ATOM 0 HG12 VAL A 6 7.702 -14.779 -4.273 1.00 65.44 H new ATOM 0 HG13 VAL A 6 9.254 -13.920 -4.130 1.00 65.44 H new ATOM 0 HG21 VAL A 6 8.051 -11.353 -2.910 1.00 61.31 H new ATOM 0 HG22 VAL A 6 9.246 -11.348 -4.229 1.00 61.31 H new ATOM 0 HG23 VAL A 6 7.688 -10.513 -4.436 1.00 61.31 H new ATOM 83 N ILE A 7 8.012 -14.715 -7.417 1.00 24.12 N ATOM 84 CA ILE A 7 7.624 -16.005 -7.975 1.00 2.43 C ATOM 85 C ILE A 7 8.571 -17.109 -7.517 1.00 41.12 C ATOM 86 O ILE A 7 9.732 -17.155 -7.925 1.00 12.32 O ATOM 87 CB ILE A 7 7.602 -15.968 -9.514 1.00 72.22 C ATOM 88 CG1 ILE A 7 7.364 -17.371 -10.076 1.00 31.42 C ATOM 89 CG2 ILE A 7 8.904 -15.391 -10.049 1.00 72.24 C ATOM 90 CD1 ILE A 7 6.099 -18.022 -9.560 1.00 63.15 C ATOM 0 H ILE A 7 8.930 -14.385 -7.715 1.00 24.12 H new ATOM 0 HA ILE A 7 6.619 -16.218 -7.610 1.00 2.43 H new ATOM 0 HB ILE A 7 6.783 -15.324 -9.836 1.00 72.22 H new ATOM 0 HG12 ILE A 7 7.317 -17.315 -11.164 1.00 31.42 H new ATOM 0 HG13 ILE A 7 8.216 -18.003 -9.826 1.00 31.42 H new ATOM 0 HG21 ILE A 7 8.873 -15.372 -11.138 1.00 72.24 H new ATOM 0 HG22 ILE A 7 9.035 -14.377 -9.672 1.00 72.24 H new ATOM 0 HG23 ILE A 7 9.739 -16.011 -9.721 1.00 72.24 H new ATOM 0 HD11 ILE A 7 5.995 -19.014 -10.000 1.00 63.15 H new ATOM 0 HD12 ILE A 7 6.152 -18.110 -8.475 1.00 63.15 H new ATOM 0 HD13 ILE A 7 5.238 -17.411 -9.833 1.00 63.15 H new ATOM 102 N VAL A 8 8.067 -17.999 -6.669 1.00 30.34 N ATOM 103 CA VAL A 8 8.867 -19.106 -6.158 1.00 35.25 C ATOM 104 C VAL A 8 8.102 -20.423 -6.245 1.00 44.51 C ATOM 105 O VAL A 8 6.874 -20.435 -6.332 1.00 3.21 O ATOM 106 CB VAL A 8 9.288 -18.866 -4.696 1.00 32.14 C ATOM 107 CG1 VAL A 8 9.796 -17.444 -4.513 1.00 23.21 C ATOM 108 CG2 VAL A 8 8.128 -19.151 -3.754 1.00 30.54 C ATOM 0 H VAL A 8 7.108 -17.975 -6.321 1.00 30.34 H new ATOM 0 HA VAL A 8 9.760 -19.165 -6.781 1.00 35.25 H new ATOM 0 HB VAL A 8 10.100 -19.551 -4.453 1.00 32.14 H new ATOM 0 HG11 VAL A 8 10.089 -17.293 -3.474 1.00 23.21 H new ATOM 0 HG12 VAL A 8 10.657 -17.279 -5.160 1.00 23.21 H new ATOM 0 HG13 VAL A 8 9.006 -16.739 -4.773 1.00 23.21 H new ATOM 0 HG21 VAL A 8 8.443 -18.976 -2.725 1.00 30.54 H new ATOM 0 HG22 VAL A 8 7.294 -18.492 -3.995 1.00 30.54 H new ATOM 0 HG23 VAL A 8 7.815 -20.189 -3.866 1.00 30.54 H new ATOM 118 N TYR A 9 8.837 -21.529 -6.221 1.00 72.11 N ATOM 119 CA TYR A 9 8.229 -22.852 -6.300 1.00 14.13 C ATOM 120 C TYR A 9 8.394 -23.607 -4.984 1.00 43.33 C ATOM 121 O TYR A 9 9.430 -23.510 -4.328 1.00 3.05 O ATOM 122 CB TYR A 9 8.850 -23.655 -7.443 1.00 65.04 C ATOM 123 CG TYR A 9 8.370 -23.230 -8.813 1.00 23.23 C ATOM 124 CD1 TYR A 9 8.517 -21.918 -9.245 1.00 53.23 C ATOM 125 CD2 TYR A 9 7.770 -24.140 -9.673 1.00 74.34 C ATOM 126 CE1 TYR A 9 8.079 -21.525 -10.495 1.00 50.33 C ATOM 127 CE2 TYR A 9 7.330 -23.757 -10.926 1.00 2.54 C ATOM 128 CZ TYR A 9 7.487 -22.448 -11.332 1.00 11.21 C ATOM 129 OH TYR A 9 7.049 -22.061 -12.578 1.00 23.21 O ATOM 0 H TYR A 9 9.854 -21.536 -6.148 1.00 72.11 H new ATOM 0 HA TYR A 9 7.164 -22.723 -6.493 1.00 14.13 H new ATOM 0 HB2 TYR A 9 9.934 -23.554 -7.400 1.00 65.04 H new ATOM 0 HB3 TYR A 9 8.623 -24.711 -7.299 1.00 65.04 H new ATOM 0 HD1 TYR A 9 8.981 -21.193 -8.593 1.00 53.23 H new ATOM 0 HD2 TYR A 9 7.645 -25.165 -9.357 1.00 74.34 H new ATOM 0 HE1 TYR A 9 8.199 -20.501 -10.815 1.00 50.33 H new ATOM 0 HE2 TYR A 9 6.866 -24.478 -11.583 1.00 2.54 H new ATOM 0 HH TYR A 9 6.658 -22.831 -13.041 1.00 23.21 H new ATOM 139 N GLU A 10 7.365 -24.359 -4.607 1.00 50.14 N ATOM 140 CA GLU A 10 7.396 -25.131 -3.371 1.00 0.55 C ATOM 141 C GLU A 10 7.834 -26.568 -3.637 1.00 5.32 C ATOM 142 O GLU A 10 7.406 -27.497 -2.951 1.00 50.41 O ATOM 143 CB GLU A 10 6.019 -25.121 -2.703 1.00 24.13 C ATOM 144 CG GLU A 10 5.633 -23.770 -2.124 1.00 73.32 C ATOM 145 CD GLU A 10 4.585 -23.881 -1.033 1.00 62.15 C ATOM 146 OE1 GLU A 10 4.167 -25.017 -0.726 1.00 65.32 O ATOM 147 OE2 GLU A 10 4.183 -22.833 -0.488 1.00 2.45 O ATOM 0 H GLU A 10 6.500 -24.450 -5.140 1.00 50.14 H new ATOM 0 HA GLU A 10 8.120 -24.667 -2.701 1.00 0.55 H new ATOM 0 HB2 GLU A 10 5.268 -25.422 -3.433 1.00 24.13 H new ATOM 0 HB3 GLU A 10 6.005 -25.865 -1.907 1.00 24.13 H new ATOM 0 HG2 GLU A 10 6.522 -23.284 -1.721 1.00 73.32 H new ATOM 0 HG3 GLU A 10 5.255 -23.131 -2.922 1.00 73.32 H new ATOM 154 N HIS A 11 8.691 -26.743 -4.638 1.00 21.10 N ATOM 155 CA HIS A 11 9.188 -28.067 -4.996 1.00 3.22 C ATOM 156 C HIS A 11 10.066 -27.999 -6.242 1.00 72.01 C ATOM 157 O HIS A 11 10.431 -26.916 -6.699 1.00 15.41 O ATOM 158 CB HIS A 11 8.022 -29.027 -5.231 1.00 14.41 C ATOM 159 CG HIS A 11 8.014 -30.199 -4.299 1.00 74.34 C ATOM 160 ND1 HIS A 11 6.950 -30.498 -3.474 1.00 1.51 N ATOM 161 CD2 HIS A 11 8.947 -31.151 -4.067 1.00 21.53 C ATOM 162 CE1 HIS A 11 7.230 -31.581 -2.772 1.00 64.35 C ATOM 163 NE2 HIS A 11 8.436 -31.998 -3.114 1.00 24.22 N ATOM 0 H HIS A 11 9.056 -25.985 -5.215 1.00 21.10 H new ATOM 0 HA HIS A 11 9.792 -28.437 -4.167 1.00 3.22 H new ATOM 0 HB2 HIS A 11 7.085 -28.481 -5.123 1.00 14.41 H new ATOM 0 HB3 HIS A 11 8.062 -29.390 -6.258 1.00 14.41 H new ATOM 0 HD2 HIS A 11 9.913 -31.230 -4.543 1.00 21.53 H new ATOM 0 HE1 HIS A 11 6.583 -32.046 -2.043 1.00 64.35 H new ATOM 0 HE2 HIS A 11 8.911 -32.816 -2.732 1.00 24.22 H new ATOM 171 N VAL A 12 10.402 -29.164 -6.787 1.00 40.24 N ATOM 172 CA VAL A 12 11.236 -29.237 -7.981 1.00 4.32 C ATOM 173 C VAL A 12 10.552 -28.574 -9.171 1.00 41.01 C ATOM 174 O VAL A 12 9.335 -28.397 -9.181 1.00 32.24 O ATOM 175 CB VAL A 12 11.572 -30.696 -8.343 1.00 2.34 C ATOM 176 CG1 VAL A 12 12.688 -30.747 -9.375 1.00 40.30 C ATOM 177 CG2 VAL A 12 11.952 -31.479 -7.095 1.00 62.55 C ATOM 0 H VAL A 12 10.110 -30.070 -6.421 1.00 40.24 H new ATOM 0 HA VAL A 12 12.160 -28.705 -7.754 1.00 4.32 H new ATOM 0 HB VAL A 12 10.686 -31.158 -8.779 1.00 2.34 H new ATOM 0 HG11 VAL A 12 12.911 -31.786 -9.618 1.00 40.30 H new ATOM 0 HG12 VAL A 12 12.373 -30.223 -10.277 1.00 40.30 H new ATOM 0 HG13 VAL A 12 13.580 -30.269 -8.970 1.00 40.30 H new ATOM 0 HG21 VAL A 12 12.186 -32.508 -7.368 1.00 62.55 H new ATOM 0 HG22 VAL A 12 12.824 -31.020 -6.629 1.00 62.55 H new ATOM 0 HG23 VAL A 12 11.118 -31.471 -6.393 1.00 62.55 H new ATOM 187 N ASN A 13 11.344 -28.210 -10.174 1.00 40.54 N ATOM 188 CA ASN A 13 10.814 -27.566 -11.371 1.00 45.30 C ATOM 189 C ASN A 13 10.310 -28.603 -12.369 1.00 34.51 C ATOM 190 O ASN A 13 10.713 -28.609 -13.532 1.00 74.52 O ATOM 191 CB ASN A 13 11.889 -26.694 -12.024 1.00 71.14 C ATOM 192 CG ASN A 13 11.299 -25.633 -12.933 1.00 12.55 C ATOM 193 OD1 ASN A 13 11.287 -25.782 -14.154 1.00 41.25 O ATOM 194 ND2 ASN A 13 10.805 -24.553 -12.337 1.00 44.35 N ATOM 0 H ASN A 13 12.354 -28.350 -10.182 1.00 40.54 H new ATOM 0 HA ASN A 13 9.975 -26.937 -11.074 1.00 45.30 H new ATOM 0 HB2 ASN A 13 12.484 -26.213 -11.248 1.00 71.14 H new ATOM 0 HB3 ASN A 13 12.566 -27.326 -12.599 1.00 71.14 H new ATOM 0 HD21 ASN A 13 10.394 -23.805 -12.896 1.00 44.35 H new ATOM 0 HD22 ASN A 13 10.836 -24.472 -11.321 1.00 44.35 H new ATOM 201 N PHE A 14 9.424 -29.480 -11.906 1.00 5.12 N ATOM 202 CA PHE A 14 8.864 -30.523 -12.757 1.00 41.00 C ATOM 203 C PHE A 14 7.834 -31.352 -11.995 1.00 43.11 C ATOM 204 O PHE A 14 7.629 -32.529 -12.288 1.00 24.23 O ATOM 205 CB PHE A 14 9.976 -31.431 -13.286 1.00 21.20 C ATOM 206 CG PHE A 14 10.321 -32.560 -12.357 1.00 74.32 C ATOM 207 CD1 PHE A 14 10.555 -32.322 -11.013 1.00 4.13 C ATOM 208 CD2 PHE A 14 10.410 -33.860 -12.829 1.00 21.00 C ATOM 209 CE1 PHE A 14 10.872 -33.359 -10.155 1.00 42.33 C ATOM 210 CE2 PHE A 14 10.726 -34.901 -11.976 1.00 41.22 C ATOM 211 CZ PHE A 14 10.959 -34.650 -10.638 1.00 54.31 C ATOM 0 H PHE A 14 9.079 -29.489 -10.946 1.00 5.12 H new ATOM 0 HA PHE A 14 8.366 -30.042 -13.599 1.00 41.00 H new ATOM 0 HB2 PHE A 14 9.671 -31.843 -14.248 1.00 21.20 H new ATOM 0 HB3 PHE A 14 10.869 -30.832 -13.464 1.00 21.20 H new ATOM 0 HD1 PHE A 14 10.489 -31.314 -10.630 1.00 4.13 H new ATOM 0 HD2 PHE A 14 10.231 -34.062 -13.875 1.00 21.00 H new ATOM 0 HE1 PHE A 14 11.051 -33.160 -9.109 1.00 42.33 H new ATOM 0 HE2 PHE A 14 10.791 -35.910 -12.356 1.00 41.22 H new ATOM 0 HZ PHE A 14 11.209 -35.462 -9.971 1.00 54.31 H new ATOM 221 N GLY A 15 7.189 -30.727 -11.015 1.00 32.44 N ATOM 222 CA GLY A 15 6.189 -31.422 -10.225 1.00 13.32 C ATOM 223 C GLY A 15 5.992 -30.796 -8.858 1.00 52.44 C ATOM 224 O GLY A 15 5.973 -31.493 -7.845 1.00 62.01 O ATOM 0 H GLY A 15 7.341 -29.753 -10.754 1.00 32.44 H new ATOM 0 HA2 GLY A 15 5.241 -31.420 -10.762 1.00 13.32 H new ATOM 0 HA3 GLY A 15 6.485 -32.464 -10.105 1.00 13.32 H new ATOM 228 N GLY A 16 5.846 -29.474 -8.830 1.00 32.31 N ATOM 229 CA GLY A 16 5.653 -28.776 -7.572 1.00 63.22 C ATOM 230 C GLY A 16 4.647 -27.648 -7.683 1.00 71.23 C ATOM 231 O GLY A 16 4.207 -27.304 -8.780 1.00 75.45 O ATOM 0 H GLY A 16 5.858 -28.875 -9.655 1.00 32.31 H new ATOM 0 HA2 GLY A 16 5.318 -29.485 -6.815 1.00 63.22 H new ATOM 0 HA3 GLY A 16 6.608 -28.375 -7.232 1.00 63.22 H new ATOM 235 N LYS A 17 4.280 -27.071 -6.544 1.00 51.44 N ATOM 236 CA LYS A 17 3.318 -25.975 -6.517 1.00 5.31 C ATOM 237 C LYS A 17 4.027 -24.627 -6.614 1.00 75.23 C ATOM 238 O LYS A 17 4.885 -24.306 -5.793 1.00 43.20 O ATOM 239 CB LYS A 17 2.484 -26.033 -5.235 1.00 62.02 C ATOM 240 CG LYS A 17 1.514 -24.874 -5.088 1.00 12.11 C ATOM 241 CD LYS A 17 1.877 -23.989 -3.907 1.00 71.21 C ATOM 242 CE LYS A 17 1.780 -24.747 -2.592 1.00 75.31 C ATOM 243 NZ LYS A 17 1.613 -23.828 -1.433 1.00 11.43 N ATOM 0 H LYS A 17 4.634 -27.344 -5.627 1.00 51.44 H new ATOM 0 HA LYS A 17 2.658 -26.082 -7.378 1.00 5.31 H new ATOM 0 HB2 LYS A 17 1.925 -26.968 -5.217 1.00 62.02 H new ATOM 0 HB3 LYS A 17 3.154 -26.046 -4.376 1.00 62.02 H new ATOM 0 HG2 LYS A 17 1.514 -24.280 -6.002 1.00 12.11 H new ATOM 0 HG3 LYS A 17 0.503 -25.259 -4.958 1.00 12.11 H new ATOM 0 HD2 LYS A 17 2.890 -23.608 -4.035 1.00 71.21 H new ATOM 0 HD3 LYS A 17 1.212 -23.125 -3.880 1.00 71.21 H new ATOM 0 HE2 LYS A 17 0.938 -25.437 -2.632 1.00 75.31 H new ATOM 0 HE3 LYS A 17 2.678 -25.348 -2.452 1.00 75.31 H new ATOM 0 HZ1 LYS A 17 1.996 -24.277 -0.576 1.00 11.43 H new ATOM 0 HZ2 LYS A 17 2.124 -22.941 -1.617 1.00 11.43 H new ATOM 0 HZ3 LYS A 17 0.603 -23.623 -1.295 1.00 11.43 H new ATOM 257 N SER A 18 3.660 -23.842 -7.622 1.00 74.44 N ATOM 258 CA SER A 18 4.262 -22.530 -7.828 1.00 34.30 C ATOM 259 C SER A 18 3.205 -21.432 -7.763 1.00 50.34 C ATOM 260 O SER A 18 2.049 -21.644 -8.130 1.00 12.04 O ATOM 261 CB SER A 18 4.982 -22.482 -9.177 1.00 21.03 C ATOM 262 OG SER A 18 4.208 -21.794 -10.144 1.00 3.41 O ATOM 0 H SER A 18 2.949 -24.092 -8.309 1.00 74.44 H new ATOM 0 HA SER A 18 4.987 -22.360 -7.032 1.00 34.30 H new ATOM 0 HB2 SER A 18 5.947 -21.988 -9.060 1.00 21.03 H new ATOM 0 HB3 SER A 18 5.183 -23.496 -9.522 1.00 21.03 H new ATOM 0 HG SER A 18 4.749 -21.640 -10.947 1.00 3.41 H new ATOM 268 N PHE A 19 3.611 -20.256 -7.295 1.00 34.22 N ATOM 269 CA PHE A 19 2.700 -19.123 -7.180 1.00 72.15 C ATOM 270 C PHE A 19 3.443 -17.805 -7.378 1.00 64.44 C ATOM 271 O PHE A 19 4.564 -17.635 -6.898 1.00 41.53 O ATOM 272 CB PHE A 19 2.010 -19.132 -5.815 1.00 34.11 C ATOM 273 CG PHE A 19 2.926 -19.498 -4.683 1.00 31.15 C ATOM 274 CD1 PHE A 19 3.873 -18.598 -4.222 1.00 23.11 C ATOM 275 CD2 PHE A 19 2.840 -20.742 -4.079 1.00 21.41 C ATOM 276 CE1 PHE A 19 4.718 -18.932 -3.180 1.00 11.52 C ATOM 277 CE2 PHE A 19 3.682 -21.081 -3.036 1.00 74.22 C ATOM 278 CZ PHE A 19 4.622 -20.175 -2.587 1.00 24.21 C ATOM 0 H PHE A 19 4.565 -20.063 -6.989 1.00 34.22 H new ATOM 0 HA PHE A 19 1.945 -19.215 -7.961 1.00 72.15 H new ATOM 0 HB2 PHE A 19 1.586 -18.146 -5.625 1.00 34.11 H new ATOM 0 HB3 PHE A 19 1.179 -19.837 -5.842 1.00 34.11 H new ATOM 0 HD1 PHE A 19 3.952 -17.624 -4.682 1.00 23.11 H new ATOM 0 HD2 PHE A 19 2.107 -21.455 -4.427 1.00 21.41 H new ATOM 0 HE1 PHE A 19 5.452 -18.221 -2.830 1.00 11.52 H new ATOM 0 HE2 PHE A 19 3.604 -22.054 -2.573 1.00 74.22 H new ATOM 0 HZ PHE A 19 5.281 -20.438 -1.773 1.00 24.21 H new ATOM 288 N ASP A 20 2.812 -16.878 -8.089 1.00 14.31 N ATOM 289 CA ASP A 20 3.412 -15.575 -8.351 1.00 11.33 C ATOM 290 C ASP A 20 2.480 -14.449 -7.912 1.00 60.25 C ATOM 291 O ASP A 20 1.690 -13.940 -8.706 1.00 53.14 O ATOM 292 CB ASP A 20 3.742 -15.431 -9.837 1.00 53.23 C ATOM 293 CG ASP A 20 2.719 -16.111 -10.726 1.00 30.33 C ATOM 294 OD1 ASP A 20 1.511 -15.851 -10.547 1.00 55.55 O ATOM 295 OD2 ASP A 20 3.127 -16.904 -11.600 1.00 10.01 O ATOM 0 H ASP A 20 1.885 -17.004 -8.495 1.00 14.31 H new ATOM 0 HA ASP A 20 4.334 -15.505 -7.774 1.00 11.33 H new ATOM 0 HB2 ASP A 20 3.796 -14.373 -10.093 1.00 53.23 H new ATOM 0 HB3 ASP A 20 4.727 -15.856 -10.030 1.00 53.23 H new ATOM 300 N ALA A 21 2.578 -14.067 -6.643 1.00 42.14 N ATOM 301 CA ALA A 21 1.745 -13.001 -6.100 1.00 21.41 C ATOM 302 C ALA A 21 2.486 -12.223 -5.018 1.00 70.00 C ATOM 303 O ALA A 21 3.635 -12.528 -4.695 1.00 15.04 O ATOM 304 CB ALA A 21 0.449 -13.575 -5.546 1.00 62.14 C ATOM 0 H ALA A 21 3.226 -14.480 -5.972 1.00 42.14 H new ATOM 0 HA ALA A 21 1.507 -12.311 -6.909 1.00 21.41 H new ATOM 0 HB1 ALA A 21 -0.164 -12.768 -5.144 1.00 62.14 H new ATOM 0 HB2 ALA A 21 -0.095 -14.081 -6.344 1.00 62.14 H new ATOM 0 HB3 ALA A 21 0.676 -14.288 -4.753 1.00 62.14 H new ATOM 310 N THR A 22 1.822 -11.215 -4.461 1.00 1.21 N ATOM 311 CA THR A 22 2.418 -10.391 -3.417 1.00 22.33 C ATOM 312 C THR A 22 1.348 -9.783 -2.518 1.00 53.53 C ATOM 313 O THR A 22 0.522 -8.990 -2.970 1.00 53.25 O ATOM 314 CB THR A 22 3.275 -9.260 -4.014 1.00 42.55 C ATOM 315 OG1 THR A 22 3.682 -8.356 -2.981 1.00 45.53 O ATOM 316 CG2 THR A 22 2.502 -8.501 -5.083 1.00 35.54 C ATOM 0 H THR A 22 0.871 -10.950 -4.716 1.00 1.21 H new ATOM 0 HA THR A 22 3.057 -11.046 -2.824 1.00 22.33 H new ATOM 0 HB THR A 22 4.157 -9.707 -4.474 1.00 42.55 H new ATOM 0 HG1 THR A 22 4.228 -7.640 -3.369 1.00 45.53 H new ATOM 0 HG21 THR A 22 3.128 -7.707 -5.490 1.00 35.54 H new ATOM 0 HG22 THR A 22 2.219 -9.186 -5.882 1.00 35.54 H new ATOM 0 HG23 THR A 22 1.605 -8.066 -4.643 1.00 35.54 H new ATOM 324 N SER A 23 1.368 -10.158 -1.243 1.00 42.33 N ATOM 325 CA SER A 23 0.397 -9.650 -0.282 1.00 33.45 C ATOM 326 C SER A 23 0.655 -10.227 1.107 1.00 2.32 C ATOM 327 O SER A 23 1.288 -9.588 1.949 1.00 72.15 O ATOM 328 CB SER A 23 -1.025 -9.993 -0.732 1.00 2.23 C ATOM 329 OG SER A 23 -1.956 -9.786 0.317 1.00 44.03 O ATOM 0 H SER A 23 2.046 -10.812 -0.852 1.00 42.33 H new ATOM 0 HA SER A 23 0.504 -8.566 -0.233 1.00 33.45 H new ATOM 0 HB2 SER A 23 -1.297 -9.378 -1.590 1.00 2.23 H new ATOM 0 HB3 SER A 23 -1.066 -11.032 -1.059 1.00 2.23 H new ATOM 0 HG SER A 23 -2.857 -10.011 0.004 1.00 44.03 H new ATOM 335 N ASP A 24 0.161 -11.438 1.339 1.00 1.35 N ATOM 336 CA ASP A 24 0.339 -12.102 2.625 1.00 34.34 C ATOM 337 C ASP A 24 0.581 -13.596 2.436 1.00 64.40 C ATOM 338 O ASP A 24 0.084 -14.417 3.206 1.00 24.52 O ATOM 339 CB ASP A 24 -0.888 -11.881 3.512 1.00 50.43 C ATOM 340 CG ASP A 24 -0.546 -11.898 4.989 1.00 61.34 C ATOM 341 OD1 ASP A 24 0.323 -11.105 5.405 1.00 5.22 O ATOM 342 OD2 ASP A 24 -1.147 -12.706 5.728 1.00 60.24 O ATOM 0 H ASP A 24 -0.366 -11.980 0.654 1.00 1.35 H new ATOM 0 HA ASP A 24 1.213 -11.668 3.111 1.00 34.34 H new ATOM 0 HB2 ASP A 24 -1.348 -10.925 3.260 1.00 50.43 H new ATOM 0 HB3 ASP A 24 -1.627 -12.655 3.304 1.00 50.43 H new ATOM 347 N GLN A 25 1.347 -13.940 1.406 1.00 64.33 N ATOM 348 CA GLN A 25 1.654 -15.336 1.115 1.00 40.23 C ATOM 349 C GLN A 25 2.780 -15.844 2.009 1.00 44.42 C ATOM 350 O GLN A 25 3.529 -15.069 2.606 1.00 72.50 O ATOM 351 CB GLN A 25 2.041 -15.499 -0.356 1.00 45.21 C ATOM 352 CG GLN A 25 0.865 -15.823 -1.263 1.00 22.13 C ATOM 353 CD GLN A 25 -0.335 -14.935 -1.002 1.00 11.33 C ATOM 354 OE1 GLN A 25 -0.217 -13.710 -0.955 1.00 10.12 O ATOM 355 NE2 GLN A 25 -1.500 -15.548 -0.830 1.00 71.52 N ATOM 0 H GLN A 25 1.766 -13.272 0.759 1.00 64.33 H new ATOM 0 HA GLN A 25 0.761 -15.928 1.316 1.00 40.23 H new ATOM 0 HB2 GLN A 25 2.514 -14.580 -0.703 1.00 45.21 H new ATOM 0 HB3 GLN A 25 2.784 -16.292 -0.442 1.00 45.21 H new ATOM 0 HG2 GLN A 25 1.173 -15.715 -2.303 1.00 22.13 H new ATOM 0 HG3 GLN A 25 0.579 -16.865 -1.122 1.00 22.13 H new ATOM 0 HE21 GLN A 25 -1.553 -16.566 -0.877 1.00 71.52 H new ATOM 0 HE22 GLN A 25 -2.342 -15.001 -0.651 1.00 71.52 H new ATOM 364 N PRO A 26 2.905 -17.176 2.105 1.00 5.40 N ATOM 365 CA PRO A 26 3.938 -17.817 2.924 1.00 4.53 C ATOM 366 C PRO A 26 5.332 -17.665 2.323 1.00 34.24 C ATOM 367 O PRO A 26 5.530 -16.909 1.374 1.00 51.51 O ATOM 368 CB PRO A 26 3.518 -19.288 2.937 1.00 64.52 C ATOM 369 CG PRO A 26 2.714 -19.464 1.695 1.00 44.41 C ATOM 370 CD PRO A 26 2.049 -18.158 1.421 1.00 75.40 C ATOM 0 HA PRO A 26 4.007 -17.371 3.916 1.00 4.53 H new ATOM 0 HB2 PRO A 26 4.386 -19.947 2.943 1.00 64.52 H new ATOM 0 HB3 PRO A 26 2.932 -19.524 3.825 1.00 64.52 H new ATOM 0 HG2 PRO A 26 3.352 -19.755 0.860 1.00 44.41 H new ATOM 0 HG3 PRO A 26 1.975 -20.255 1.822 1.00 44.41 H new ATOM 0 HD2 PRO A 26 1.987 -17.958 0.351 1.00 75.40 H new ATOM 0 HD3 PRO A 26 1.030 -18.139 1.809 1.00 75.40 H new ATOM 378 N GLY A 27 6.295 -18.391 2.883 1.00 11.13 N ATOM 379 CA GLY A 27 7.658 -18.323 2.389 1.00 54.20 C ATOM 380 C GLY A 27 8.500 -19.497 2.847 1.00 10.22 C ATOM 381 O GLY A 27 8.835 -20.376 2.054 1.00 45.31 O ATOM 0 H GLY A 27 6.156 -19.025 3.670 1.00 11.13 H new ATOM 0 HA2 GLY A 27 7.645 -18.292 1.300 1.00 54.20 H new ATOM 0 HA3 GLY A 27 8.118 -17.395 2.729 1.00 54.20 H new ATOM 385 N ALA A 28 8.844 -19.511 4.131 1.00 40.12 N ATOM 386 CA ALA A 28 9.652 -20.586 4.693 1.00 2.43 C ATOM 387 C ALA A 28 9.278 -20.851 6.147 1.00 14.25 C ATOM 388 O ALA A 28 8.396 -20.195 6.701 1.00 4.22 O ATOM 389 CB ALA A 28 11.132 -20.248 4.580 1.00 35.14 C ATOM 0 H ALA A 28 8.576 -18.790 4.801 1.00 40.12 H new ATOM 0 HA ALA A 28 9.453 -21.493 4.123 1.00 2.43 H new ATOM 0 HB1 ALA A 28 11.724 -21.059 5.004 1.00 35.14 H new ATOM 0 HB2 ALA A 28 11.396 -20.116 3.531 1.00 35.14 H new ATOM 0 HB3 ALA A 28 11.337 -19.326 5.125 1.00 35.14 H new ATOM 395 N GLY A 29 9.953 -21.818 6.761 1.00 10.01 N ATOM 396 CA GLY A 29 9.676 -22.153 8.146 1.00 74.25 C ATOM 397 C GLY A 29 8.944 -23.473 8.287 1.00 25.42 C ATOM 398 O GLY A 29 8.056 -23.612 9.128 1.00 2.34 O ATOM 0 H GLY A 29 10.687 -22.376 6.324 1.00 10.01 H new ATOM 0 HA2 GLY A 29 10.614 -22.200 8.700 1.00 74.25 H new ATOM 0 HA3 GLY A 29 9.079 -21.360 8.596 1.00 74.25 H new ATOM 402 N ASP A 30 9.317 -24.445 7.462 1.00 72.42 N ATOM 403 CA ASP A 30 8.690 -25.761 7.498 1.00 34.52 C ATOM 404 C ASP A 30 9.315 -26.690 6.462 1.00 21.33 C ATOM 405 O ASP A 30 8.895 -26.719 5.306 1.00 24.03 O ATOM 406 CB ASP A 30 7.185 -25.640 7.250 1.00 22.12 C ATOM 407 CG ASP A 30 6.861 -24.696 6.109 1.00 12.24 C ATOM 408 OD1 ASP A 30 6.789 -23.473 6.353 1.00 10.22 O ATOM 409 OD2 ASP A 30 6.680 -25.179 4.973 1.00 73.53 O ATOM 0 H ASP A 30 10.050 -24.346 6.760 1.00 72.42 H new ATOM 0 HA ASP A 30 8.854 -26.187 8.488 1.00 34.52 H new ATOM 0 HB2 ASP A 30 6.776 -26.626 7.030 1.00 22.12 H new ATOM 0 HB3 ASP A 30 6.697 -25.288 8.159 1.00 22.12 H new ATOM 414 N ASN A 31 10.322 -27.448 6.885 1.00 1.34 N ATOM 415 CA ASN A 31 11.007 -28.377 5.994 1.00 51.42 C ATOM 416 C ASN A 31 12.021 -29.219 6.761 1.00 23.21 C ATOM 417 O ASN A 31 13.166 -28.808 6.957 1.00 53.44 O ATOM 418 CB ASN A 31 11.708 -27.613 4.869 1.00 44.12 C ATOM 419 CG ASN A 31 10.921 -27.640 3.573 1.00 32.01 C ATOM 420 OD1 ASN A 31 10.511 -28.702 3.105 1.00 62.32 O ATOM 421 ND2 ASN A 31 10.706 -26.468 2.987 1.00 12.11 N ATOM 0 H ASN A 31 10.681 -27.437 7.839 1.00 1.34 H new ATOM 0 HA ASN A 31 10.261 -29.044 5.562 1.00 51.42 H new ATOM 0 HB2 ASN A 31 11.861 -26.578 5.176 1.00 44.12 H new ATOM 0 HB3 ASN A 31 12.695 -28.044 4.701 1.00 44.12 H new ATOM 0 HD21 ASN A 31 10.182 -26.423 2.113 1.00 12.11 H new ATOM 0 HD22 ASN A 31 11.065 -25.612 3.411 1.00 12.11 H new ATOM 428 N LEU A 32 11.595 -30.401 7.193 1.00 15.31 N ATOM 429 CA LEU A 32 12.465 -31.303 7.939 1.00 43.13 C ATOM 430 C LEU A 32 13.247 -32.210 6.994 1.00 44.53 C ATOM 431 O LEU A 32 12.754 -33.253 6.569 1.00 32.31 O ATOM 432 CB LEU A 32 11.643 -32.149 8.911 1.00 35.45 C ATOM 433 CG LEU A 32 11.678 -31.713 10.377 1.00 71.14 C ATOM 434 CD1 LEU A 32 10.590 -30.688 10.655 1.00 52.34 C ATOM 435 CD2 LEU A 32 11.526 -32.917 11.295 1.00 5.33 C ATOM 0 H LEU A 32 10.652 -30.757 7.039 1.00 15.31 H new ATOM 0 HA LEU A 32 13.175 -30.699 8.504 1.00 43.13 H new ATOM 0 HB2 LEU A 32 10.606 -32.145 8.577 1.00 35.45 H new ATOM 0 HB3 LEU A 32 11.994 -33.179 8.851 1.00 35.45 H new ATOM 0 HG LEU A 32 12.644 -31.250 10.575 1.00 71.14 H new ATOM 0 HD11 LEU A 32 10.630 -30.390 11.703 1.00 52.34 H new ATOM 0 HD12 LEU A 32 10.744 -29.814 10.023 1.00 52.34 H new ATOM 0 HD13 LEU A 32 9.615 -31.125 10.439 1.00 52.34 H new ATOM 0 HD21 LEU A 32 11.553 -32.588 12.334 1.00 5.33 H new ATOM 0 HD22 LEU A 32 10.574 -33.409 11.095 1.00 5.33 H new ATOM 0 HD23 LEU A 32 12.342 -33.617 11.115 1.00 5.33 H new ATOM 447 N ASN A 33 14.471 -31.804 6.670 1.00 1.24 N ATOM 448 CA ASN A 33 15.323 -32.581 5.777 1.00 53.41 C ATOM 449 C ASN A 33 14.624 -32.836 4.445 1.00 33.31 C ATOM 450 O ASN A 33 14.921 -33.810 3.753 1.00 30.21 O ATOM 451 CB ASN A 33 15.703 -33.911 6.430 1.00 70.13 C ATOM 452 CG ASN A 33 16.785 -34.644 5.660 1.00 31.24 C ATOM 453 OD1 ASN A 33 17.664 -34.025 5.062 1.00 44.13 O ATOM 454 ND2 ASN A 33 16.724 -35.971 5.673 1.00 1.31 N ATOM 0 H ASN A 33 14.895 -30.942 7.013 1.00 1.24 H new ATOM 0 HA ASN A 33 16.229 -32.006 5.587 1.00 53.41 H new ATOM 0 HB2 ASN A 33 16.046 -33.728 7.448 1.00 70.13 H new ATOM 0 HB3 ASN A 33 14.818 -34.544 6.500 1.00 70.13 H new ATOM 0 HD21 ASN A 33 17.425 -36.519 5.173 1.00 1.31 H new ATOM 0 HD22 ASN A 33 15.977 -36.442 6.183 1.00 1.31 H new ATOM 461 N ASP A 34 13.694 -31.955 4.092 1.00 23.14 N ATOM 462 CA ASP A 34 12.954 -32.084 2.843 1.00 53.42 C ATOM 463 C ASP A 34 12.888 -30.747 2.110 1.00 20.30 C ATOM 464 O ASP A 34 11.858 -30.390 1.538 1.00 60.54 O ATOM 465 CB ASP A 34 11.540 -32.601 3.114 1.00 50.32 C ATOM 466 CG ASP A 34 11.001 -33.440 1.972 1.00 44.44 C ATOM 467 OD1 ASP A 34 11.469 -34.586 1.806 1.00 15.32 O ATOM 468 OD2 ASP A 34 10.113 -32.950 1.243 1.00 44.35 O ATOM 0 H ASP A 34 13.435 -31.144 4.654 1.00 23.14 H new ATOM 0 HA ASP A 34 13.479 -32.800 2.210 1.00 53.42 H new ATOM 0 HB2 ASP A 34 11.543 -33.195 4.028 1.00 50.32 H new ATOM 0 HB3 ASP A 34 10.874 -31.755 3.286 1.00 50.32 H new ATOM 473 N LYS A 35 13.994 -30.011 2.133 1.00 71.14 N ATOM 474 CA LYS A 35 14.064 -28.714 1.471 1.00 54.32 C ATOM 475 C LYS A 35 14.627 -28.852 0.060 1.00 30.11 C ATOM 476 O LYS A 35 15.837 -28.990 -0.124 1.00 74.13 O ATOM 477 CB LYS A 35 14.929 -27.749 2.285 1.00 50.14 C ATOM 478 CG LYS A 35 15.263 -26.463 1.549 1.00 51.14 C ATOM 479 CD LYS A 35 14.008 -25.692 1.175 1.00 72.33 C ATOM 480 CE LYS A 35 13.723 -25.781 -0.317 1.00 12.03 C ATOM 481 NZ LYS A 35 12.331 -26.235 -0.589 1.00 61.24 N ATOM 0 H LYS A 35 14.855 -30.291 2.603 1.00 71.14 H new ATOM 0 HA LYS A 35 13.052 -28.315 1.401 1.00 54.32 H new ATOM 0 HB2 LYS A 35 14.411 -27.503 3.212 1.00 50.14 H new ATOM 0 HB3 LYS A 35 15.856 -28.251 2.562 1.00 50.14 H new ATOM 0 HG2 LYS A 35 15.901 -25.839 2.175 1.00 51.14 H new ATOM 0 HG3 LYS A 35 15.830 -26.695 0.648 1.00 51.14 H new ATOM 0 HD2 LYS A 35 13.158 -26.085 1.733 1.00 72.33 H new ATOM 0 HD3 LYS A 35 14.122 -24.647 1.463 1.00 72.33 H new ATOM 0 HE2 LYS A 35 13.883 -24.806 -0.776 1.00 12.03 H new ATOM 0 HE3 LYS A 35 14.427 -26.471 -0.781 1.00 12.03 H new ATOM 0 HZ1 LYS A 35 12.327 -26.869 -1.413 1.00 61.24 H new ATOM 0 HZ2 LYS A 35 11.963 -26.744 0.240 1.00 61.24 H new ATOM 0 HZ3 LYS A 35 11.729 -25.410 -0.784 1.00 61.24 H new ATOM 495 N ILE A 36 13.743 -28.813 -0.931 1.00 43.14 N ATOM 496 CA ILE A 36 14.154 -28.931 -2.325 1.00 32.40 C ATOM 497 C ILE A 36 13.161 -28.238 -3.251 1.00 74.35 C ATOM 498 O ILE A 36 12.076 -28.757 -3.516 1.00 21.34 O ATOM 499 CB ILE A 36 14.291 -30.406 -2.748 1.00 54.12 C ATOM 500 CG1 ILE A 36 13.058 -31.201 -2.311 1.00 45.14 C ATOM 501 CG2 ILE A 36 15.555 -31.011 -2.158 1.00 22.35 C ATOM 502 CD1 ILE A 36 12.521 -32.120 -3.385 1.00 73.44 C ATOM 0 H ILE A 36 12.738 -28.701 -0.795 1.00 43.14 H new ATOM 0 HA ILE A 36 15.126 -28.445 -2.410 1.00 32.40 H new ATOM 0 HB ILE A 36 14.363 -30.452 -3.835 1.00 54.12 H new ATOM 0 HG12 ILE A 36 13.310 -31.792 -1.431 1.00 45.14 H new ATOM 0 HG13 ILE A 36 12.273 -30.505 -2.014 1.00 45.14 H new ATOM 0 HG21 ILE A 36 15.638 -32.053 -2.466 1.00 22.35 H new ATOM 0 HG22 ILE A 36 16.424 -30.458 -2.514 1.00 22.35 H new ATOM 0 HG23 ILE A 36 15.511 -30.956 -1.070 1.00 22.35 H new ATOM 0 HD11 ILE A 36 11.648 -32.651 -3.006 1.00 73.44 H new ATOM 0 HD12 ILE A 36 12.237 -31.532 -4.258 1.00 73.44 H new ATOM 0 HD13 ILE A 36 13.290 -32.840 -3.666 1.00 73.44 H new ATOM 514 N SER A 37 13.540 -27.063 -3.744 1.00 35.13 N ATOM 515 CA SER A 37 12.681 -26.297 -4.640 1.00 23.11 C ATOM 516 C SER A 37 13.504 -25.329 -5.484 1.00 2.41 C ATOM 517 O SER A 37 14.729 -25.429 -5.547 1.00 64.51 O ATOM 518 CB SER A 37 11.630 -25.527 -3.839 1.00 11.12 C ATOM 519 OG SER A 37 12.150 -24.297 -3.364 1.00 62.23 O ATOM 0 H SER A 37 14.436 -26.621 -3.538 1.00 35.13 H new ATOM 0 HA SER A 37 12.177 -26.996 -5.307 1.00 23.11 H new ATOM 0 HB2 SER A 37 10.757 -25.339 -4.465 1.00 11.12 H new ATOM 0 HB3 SER A 37 11.294 -26.133 -2.997 1.00 11.12 H new ATOM 0 HG SER A 37 11.479 -23.592 -3.478 1.00 62.23 H new ATOM 525 N SER A 38 12.821 -24.390 -6.131 1.00 40.12 N ATOM 526 CA SER A 38 13.487 -23.405 -6.975 1.00 50.30 C ATOM 527 C SER A 38 13.080 -21.988 -6.580 1.00 65.05 C ATOM 528 O SER A 38 12.002 -21.772 -6.027 1.00 51.42 O ATOM 529 CB SER A 38 13.151 -23.652 -8.447 1.00 23.41 C ATOM 530 OG SER A 38 13.934 -22.829 -9.294 1.00 71.11 O ATOM 0 H SER A 38 11.807 -24.291 -6.087 1.00 40.12 H new ATOM 0 HA SER A 38 14.563 -23.509 -6.833 1.00 50.30 H new ATOM 0 HB2 SER A 38 13.324 -24.700 -8.692 1.00 23.41 H new ATOM 0 HB3 SER A 38 12.093 -23.455 -8.620 1.00 23.41 H new ATOM 0 HG SER A 38 14.745 -22.549 -8.820 1.00 71.11 H new ATOM 536 N ILE A 39 13.952 -21.027 -6.869 1.00 72.31 N ATOM 537 CA ILE A 39 13.684 -19.631 -6.546 1.00 30.51 C ATOM 538 C ILE A 39 13.812 -18.747 -7.781 1.00 40.23 C ATOM 539 O ILE A 39 14.721 -18.922 -8.593 1.00 71.42 O ATOM 540 CB ILE A 39 14.640 -19.113 -5.455 1.00 51.35 C ATOM 541 CG1 ILE A 39 14.037 -19.340 -4.068 1.00 30.23 C ATOM 542 CG2 ILE A 39 14.941 -17.637 -5.673 1.00 35.30 C ATOM 543 CD1 ILE A 39 13.672 -20.783 -3.797 1.00 11.13 C ATOM 0 H ILE A 39 14.849 -21.190 -7.326 1.00 72.31 H new ATOM 0 HA ILE A 39 12.661 -19.583 -6.173 1.00 30.51 H new ATOM 0 HB ILE A 39 15.576 -19.668 -5.518 1.00 51.35 H new ATOM 0 HG12 ILE A 39 14.748 -19.005 -3.312 1.00 30.23 H new ATOM 0 HG13 ILE A 39 13.145 -18.722 -3.963 1.00 30.23 H new ATOM 0 HG21 ILE A 39 15.618 -17.285 -4.894 1.00 35.30 H new ATOM 0 HG22 ILE A 39 15.408 -17.501 -6.648 1.00 35.30 H new ATOM 0 HG23 ILE A 39 14.013 -17.067 -5.632 1.00 35.30 H new ATOM 0 HD11 ILE A 39 13.250 -20.870 -2.796 1.00 11.13 H new ATOM 0 HD12 ILE A 39 12.938 -21.116 -4.530 1.00 11.13 H new ATOM 0 HD13 ILE A 39 14.565 -21.404 -3.870 1.00 11.13 H new ATOM 555 N LYS A 40 12.896 -17.794 -7.917 1.00 44.51 N ATOM 556 CA LYS A 40 12.907 -16.878 -9.052 1.00 2.45 C ATOM 557 C LYS A 40 12.426 -15.491 -8.636 1.00 74.20 C ATOM 558 O LYS A 40 11.581 -15.356 -7.751 1.00 13.02 O ATOM 559 CB LYS A 40 12.025 -17.419 -10.179 1.00 0.02 C ATOM 560 CG LYS A 40 12.472 -16.984 -11.564 1.00 3.25 C ATOM 561 CD LYS A 40 11.299 -16.514 -12.407 1.00 13.04 C ATOM 562 CE LYS A 40 11.572 -16.695 -13.892 1.00 14.01 C ATOM 563 NZ LYS A 40 10.471 -16.143 -14.729 1.00 71.04 N ATOM 0 H LYS A 40 12.136 -17.636 -7.255 1.00 44.51 H new ATOM 0 HA LYS A 40 13.933 -16.795 -9.410 1.00 2.45 H new ATOM 0 HB2 LYS A 40 12.019 -18.508 -10.134 1.00 0.02 H new ATOM 0 HB3 LYS A 40 10.999 -17.088 -10.017 1.00 0.02 H new ATOM 0 HG2 LYS A 40 13.203 -16.180 -11.476 1.00 3.25 H new ATOM 0 HG3 LYS A 40 12.971 -17.814 -12.064 1.00 3.25 H new ATOM 0 HD2 LYS A 40 10.404 -17.071 -12.130 1.00 13.04 H new ATOM 0 HD3 LYS A 40 11.098 -15.463 -12.198 1.00 13.04 H new ATOM 0 HE2 LYS A 40 12.508 -16.201 -14.152 1.00 14.01 H new ATOM 0 HE3 LYS A 40 11.699 -17.755 -14.112 1.00 14.01 H new ATOM 0 HZ1 LYS A 40 10.694 -16.286 -15.735 1.00 71.04 H new ATOM 0 HZ2 LYS A 40 9.582 -16.631 -14.499 1.00 71.04 H new ATOM 0 HZ3 LYS A 40 10.367 -15.126 -14.539 1.00 71.04 H new ATOM 577 N VAL A 41 12.967 -14.463 -9.282 1.00 23.33 N ATOM 578 CA VAL A 41 12.591 -13.087 -8.981 1.00 32.21 C ATOM 579 C VAL A 41 12.981 -12.150 -10.118 1.00 1.41 C ATOM 580 O VAL A 41 14.061 -12.272 -10.696 1.00 23.12 O ATOM 581 CB VAL A 41 13.249 -12.597 -7.677 1.00 71.44 C ATOM 582 CG1 VAL A 41 14.765 -12.619 -7.803 1.00 54.25 C ATOM 583 CG2 VAL A 41 12.755 -11.203 -7.323 1.00 32.02 C ATOM 0 H VAL A 41 13.667 -14.557 -10.017 1.00 23.33 H new ATOM 0 HA VAL A 41 11.508 -13.074 -8.859 1.00 32.21 H new ATOM 0 HB VAL A 41 12.966 -13.273 -6.871 1.00 71.44 H new ATOM 0 HG11 VAL A 41 15.213 -12.270 -6.873 1.00 54.25 H new ATOM 0 HG12 VAL A 41 15.098 -13.637 -8.006 1.00 54.25 H new ATOM 0 HG13 VAL A 41 15.072 -11.966 -8.620 1.00 54.25 H new ATOM 0 HG21 VAL A 41 13.230 -10.872 -6.399 1.00 32.02 H new ATOM 0 HG22 VAL A 41 13.007 -10.512 -8.128 1.00 32.02 H new ATOM 0 HG23 VAL A 41 11.674 -11.224 -7.188 1.00 32.02 H new ATOM 593 N LYS A 42 12.095 -11.212 -10.435 1.00 13.24 N ATOM 594 CA LYS A 42 12.346 -10.250 -11.502 1.00 34.33 C ATOM 595 C LYS A 42 11.978 -8.838 -11.059 1.00 4.33 C ATOM 596 O LYS A 42 11.405 -8.066 -11.827 1.00 11.51 O ATOM 597 CB LYS A 42 11.549 -10.627 -12.753 1.00 65.02 C ATOM 598 CG LYS A 42 11.982 -11.943 -13.376 1.00 31.21 C ATOM 599 CD LYS A 42 13.441 -11.907 -13.800 1.00 14.20 C ATOM 600 CE LYS A 42 13.700 -10.801 -14.811 1.00 54.52 C ATOM 601 NZ LYS A 42 15.116 -10.791 -15.272 1.00 54.21 N ATOM 0 H LYS A 42 11.196 -11.097 -9.968 1.00 13.24 H new ATOM 0 HA LYS A 42 13.410 -10.273 -11.735 1.00 34.33 H new ATOM 0 HB2 LYS A 42 10.492 -10.687 -12.496 1.00 65.02 H new ATOM 0 HB3 LYS A 42 11.652 -9.833 -13.493 1.00 65.02 H new ATOM 0 HG2 LYS A 42 11.830 -12.752 -12.662 1.00 31.21 H new ATOM 0 HG3 LYS A 42 11.356 -12.160 -14.242 1.00 31.21 H new ATOM 0 HD2 LYS A 42 14.072 -11.756 -12.924 1.00 14.20 H new ATOM 0 HD3 LYS A 42 13.720 -12.868 -14.231 1.00 14.20 H new ATOM 0 HE2 LYS A 42 13.040 -10.931 -15.669 1.00 54.52 H new ATOM 0 HE3 LYS A 42 13.457 -9.837 -14.365 1.00 54.52 H new ATOM 0 HZ1 LYS A 42 15.252 -10.023 -15.960 1.00 54.21 H new ATOM 0 HZ2 LYS A 42 15.745 -10.641 -14.458 1.00 54.21 H new ATOM 0 HZ3 LYS A 42 15.341 -11.702 -15.721 1.00 54.21 H new ATOM 615 N SER A 43 12.314 -8.506 -9.816 1.00 73.00 N ATOM 616 CA SER A 43 12.017 -7.187 -9.270 1.00 51.35 C ATOM 617 C SER A 43 12.516 -7.068 -7.834 1.00 30.24 C ATOM 618 O SER A 43 12.091 -7.815 -6.953 1.00 53.12 O ATOM 619 CB SER A 43 10.512 -6.916 -9.324 1.00 20.34 C ATOM 620 OG SER A 43 10.123 -6.000 -8.315 1.00 54.02 O ATOM 0 H SER A 43 12.792 -9.133 -9.168 1.00 73.00 H new ATOM 0 HA SER A 43 12.534 -6.445 -9.878 1.00 51.35 H new ATOM 0 HB2 SER A 43 10.246 -6.518 -10.303 1.00 20.34 H new ATOM 0 HB3 SER A 43 9.966 -7.851 -9.201 1.00 20.34 H new ATOM 0 HG SER A 43 9.157 -5.842 -8.371 1.00 54.02 H new ATOM 626 N GLY A 44 13.422 -6.123 -7.605 1.00 5.35 N ATOM 627 CA GLY A 44 13.966 -5.923 -6.274 1.00 14.42 C ATOM 628 C GLY A 44 14.854 -7.068 -5.832 1.00 22.41 C ATOM 629 O GLY A 44 15.298 -7.873 -6.652 1.00 52.21 O ATOM 0 H GLY A 44 13.789 -5.492 -8.317 1.00 5.35 H new ATOM 0 HA2 GLY A 44 14.538 -4.995 -6.254 1.00 14.42 H new ATOM 0 HA3 GLY A 44 13.147 -5.808 -5.564 1.00 14.42 H new ATOM 633 N THR A 45 15.117 -7.144 -4.531 1.00 4.41 N ATOM 634 CA THR A 45 15.961 -8.197 -3.981 1.00 62.25 C ATOM 635 C THR A 45 15.551 -8.542 -2.555 1.00 33.45 C ATOM 636 O THR A 45 15.091 -7.681 -1.806 1.00 13.45 O ATOM 637 CB THR A 45 17.447 -7.790 -3.992 1.00 13.01 C ATOM 638 OG1 THR A 45 17.616 -6.538 -3.317 1.00 64.34 O ATOM 639 CG2 THR A 45 17.967 -7.679 -5.417 1.00 3.40 C ATOM 0 H THR A 45 14.757 -6.488 -3.838 1.00 4.41 H new ATOM 0 HA THR A 45 15.827 -9.073 -4.616 1.00 62.25 H new ATOM 0 HB THR A 45 18.017 -8.561 -3.474 1.00 13.01 H new ATOM 0 HG1 THR A 45 18.563 -6.287 -3.326 1.00 64.34 H new ATOM 0 HG21 THR A 45 19.018 -7.391 -5.399 1.00 3.40 H new ATOM 0 HG22 THR A 45 17.863 -8.641 -5.918 1.00 3.40 H new ATOM 0 HG23 THR A 45 17.393 -6.925 -5.956 1.00 3.40 H new ATOM 647 N TRP A 46 15.720 -9.807 -2.185 1.00 5.52 N ATOM 648 CA TRP A 46 15.368 -10.265 -0.846 1.00 13.01 C ATOM 649 C TRP A 46 16.599 -10.768 -0.101 1.00 30.42 C ATOM 650 O TRP A 46 17.678 -10.893 -0.680 1.00 61.30 O ATOM 651 CB TRP A 46 14.316 -11.372 -0.924 1.00 74.44 C ATOM 652 CG TRP A 46 13.309 -11.159 -2.014 1.00 32.11 C ATOM 653 CD1 TRP A 46 12.718 -9.979 -2.364 1.00 42.45 C ATOM 654 CD2 TRP A 46 12.774 -12.154 -2.893 1.00 74.31 C ATOM 655 NE1 TRP A 46 11.848 -10.180 -3.409 1.00 21.14 N ATOM 656 CE2 TRP A 46 11.864 -11.506 -3.752 1.00 25.11 C ATOM 657 CE3 TRP A 46 12.975 -13.529 -3.040 1.00 23.31 C ATOM 658 CZ2 TRP A 46 11.159 -12.188 -4.740 1.00 44.54 C ATOM 659 CZ3 TRP A 46 12.275 -14.204 -4.021 1.00 75.22 C ATOM 660 CH2 TRP A 46 11.376 -13.533 -4.862 1.00 23.23 C ATOM 0 H TRP A 46 16.098 -10.533 -2.793 1.00 5.52 H new ATOM 0 HA TRP A 46 14.955 -9.419 -0.297 1.00 13.01 H new ATOM 0 HB2 TRP A 46 14.816 -12.328 -1.083 1.00 74.44 H new ATOM 0 HB3 TRP A 46 13.797 -11.438 0.032 1.00 74.44 H new ATOM 0 HD1 TRP A 46 12.906 -9.027 -1.889 1.00 42.45 H new ATOM 0 HE1 TRP A 46 11.282 -9.459 -3.856 1.00 21.14 H new ATOM 0 HE3 TRP A 46 13.666 -14.055 -2.398 1.00 23.31 H new ATOM 0 HZ2 TRP A 46 10.465 -11.673 -5.388 1.00 44.54 H new ATOM 0 HZ3 TRP A 46 12.423 -15.267 -4.142 1.00 75.22 H new ATOM 0 HH2 TRP A 46 10.845 -14.089 -5.621 1.00 23.23 H new ATOM 671 N ARG A 47 16.430 -11.056 1.186 1.00 64.13 N ATOM 672 CA ARG A 47 17.529 -11.545 2.010 1.00 63.25 C ATOM 673 C ARG A 47 17.286 -12.989 2.439 1.00 61.12 C ATOM 674 O ARG A 47 16.257 -13.305 3.037 1.00 62.25 O ATOM 675 CB ARG A 47 17.704 -10.658 3.243 1.00 2.42 C ATOM 676 CG ARG A 47 18.199 -9.257 2.921 1.00 62.22 C ATOM 677 CD ARG A 47 17.088 -8.228 3.059 1.00 62.14 C ATOM 678 NE ARG A 47 17.606 -6.906 3.399 1.00 2.32 N ATOM 679 CZ ARG A 47 18.221 -6.111 2.530 1.00 31.11 C ATOM 680 NH1 ARG A 47 18.393 -6.503 1.275 1.00 10.12 N ATOM 681 NH2 ARG A 47 18.664 -4.921 2.916 1.00 64.43 N ATOM 0 H ARG A 47 15.543 -10.959 1.680 1.00 64.13 H new ATOM 0 HA ARG A 47 18.441 -11.510 1.414 1.00 63.25 H new ATOM 0 HB2 ARG A 47 16.751 -10.586 3.766 1.00 2.42 H new ATOM 0 HB3 ARG A 47 18.407 -11.135 3.926 1.00 2.42 H new ATOM 0 HG2 ARG A 47 19.021 -8.998 3.588 1.00 62.22 H new ATOM 0 HG3 ARG A 47 18.594 -9.234 1.905 1.00 62.22 H new ATOM 0 HD2 ARG A 47 16.530 -8.169 2.124 1.00 62.14 H new ATOM 0 HD3 ARG A 47 16.387 -8.552 3.829 1.00 62.14 H new ATOM 0 HE ARG A 47 17.489 -6.574 4.357 1.00 2.32 H new ATOM 0 HH11 ARG A 47 18.053 -7.417 0.975 1.00 10.12 H new ATOM 0 HH12 ARG A 47 18.865 -5.891 0.610 1.00 10.12 H new ATOM 0 HH21 ARG A 47 18.532 -4.616 3.880 1.00 64.43 H new ATOM 0 HH22 ARG A 47 19.136 -4.311 2.248 1.00 64.43 H new ATOM 695 N PHE A 48 18.240 -13.861 2.129 1.00 34.55 N ATOM 696 CA PHE A 48 18.129 -15.272 2.482 1.00 74.23 C ATOM 697 C PHE A 48 19.186 -15.661 3.511 1.00 50.40 C ATOM 698 O PHE A 48 20.380 -15.441 3.304 1.00 13.43 O ATOM 699 CB PHE A 48 18.272 -16.144 1.233 1.00 70.33 C ATOM 700 CG PHE A 48 16.958 -16.521 0.610 1.00 12.42 C ATOM 701 CD1 PHE A 48 16.236 -17.603 1.086 1.00 73.31 C ATOM 702 CD2 PHE A 48 16.444 -15.791 -0.450 1.00 63.30 C ATOM 703 CE1 PHE A 48 15.027 -17.952 0.514 1.00 14.03 C ATOM 704 CE2 PHE A 48 15.235 -16.135 -1.025 1.00 64.14 C ATOM 705 CZ PHE A 48 14.525 -17.216 -0.542 1.00 23.33 C ATOM 0 H PHE A 48 19.098 -13.616 1.635 1.00 34.55 H new ATOM 0 HA PHE A 48 17.144 -15.435 2.920 1.00 74.23 H new ATOM 0 HB2 PHE A 48 18.875 -15.613 0.496 1.00 70.33 H new ATOM 0 HB3 PHE A 48 18.815 -17.052 1.494 1.00 70.33 H new ATOM 0 HD1 PHE A 48 16.622 -18.180 1.913 1.00 73.31 H new ATOM 0 HD2 PHE A 48 16.994 -14.944 -0.831 1.00 63.30 H new ATOM 0 HE1 PHE A 48 14.475 -18.800 0.892 1.00 14.03 H new ATOM 0 HE2 PHE A 48 14.846 -15.559 -1.851 1.00 64.14 H new ATOM 0 HZ PHE A 48 13.579 -17.486 -0.989 1.00 23.33 H new ATOM 715 N TYR A 49 18.739 -16.239 4.620 1.00 13.31 N ATOM 716 CA TYR A 49 19.645 -16.655 5.684 1.00 71.33 C ATOM 717 C TYR A 49 19.241 -18.017 6.242 1.00 53.53 C ATOM 718 O TYR A 49 18.093 -18.222 6.635 1.00 1.54 O ATOM 719 CB TYR A 49 19.660 -15.616 6.806 1.00 41.23 C ATOM 720 CG TYR A 49 18.478 -14.673 6.774 1.00 64.12 C ATOM 721 CD1 TYR A 49 17.267 -15.026 7.357 1.00 45.02 C ATOM 722 CD2 TYR A 49 18.572 -13.430 6.160 1.00 23.21 C ATOM 723 CE1 TYR A 49 16.185 -14.168 7.330 1.00 72.34 C ATOM 724 CE2 TYR A 49 17.495 -12.566 6.129 1.00 4.44 C ATOM 725 CZ TYR A 49 16.304 -12.939 6.715 1.00 32.22 C ATOM 726 OH TYR A 49 15.228 -12.081 6.685 1.00 23.35 O ATOM 0 H TYR A 49 17.754 -16.430 4.806 1.00 13.31 H new ATOM 0 HA TYR A 49 20.646 -16.738 5.262 1.00 71.33 H new ATOM 0 HB2 TYR A 49 19.677 -16.131 7.766 1.00 41.23 H new ATOM 0 HB3 TYR A 49 20.580 -15.035 6.739 1.00 41.23 H new ATOM 0 HD1 TYR A 49 17.170 -15.987 7.839 1.00 45.02 H new ATOM 0 HD2 TYR A 49 19.503 -13.135 5.699 1.00 23.21 H new ATOM 0 HE1 TYR A 49 15.251 -14.458 7.788 1.00 72.34 H new ATOM 0 HE2 TYR A 49 17.585 -11.603 5.648 1.00 4.44 H new ATOM 0 HH TYR A 49 15.479 -11.258 6.215 1.00 23.35 H new ATOM 736 N GLU A 50 20.194 -18.943 6.272 1.00 13.14 N ATOM 737 CA GLU A 50 19.937 -20.285 6.782 1.00 44.11 C ATOM 738 C GLU A 50 20.489 -20.445 8.196 1.00 44.24 C ATOM 739 O GLU A 50 21.640 -20.842 8.383 1.00 14.13 O ATOM 740 CB GLU A 50 20.561 -21.333 5.858 1.00 73.13 C ATOM 741 CG GLU A 50 20.533 -22.741 6.428 1.00 4.04 C ATOM 742 CD GLU A 50 20.897 -23.794 5.400 1.00 30.40 C ATOM 743 OE1 GLU A 50 21.925 -23.621 4.712 1.00 72.01 O ATOM 744 OE2 GLU A 50 20.154 -24.791 5.283 1.00 24.41 O ATOM 0 H GLU A 50 21.149 -18.789 5.950 1.00 13.14 H new ATOM 0 HA GLU A 50 18.858 -20.434 6.813 1.00 44.11 H new ATOM 0 HB2 GLU A 50 20.032 -21.325 4.905 1.00 73.13 H new ATOM 0 HB3 GLU A 50 21.594 -21.054 5.652 1.00 73.13 H new ATOM 0 HG2 GLU A 50 21.226 -22.803 7.267 1.00 4.04 H new ATOM 0 HG3 GLU A 50 19.538 -22.950 6.820 1.00 4.04 H new ATOM 751 N TYR A 51 19.662 -20.132 9.186 1.00 35.12 N ATOM 752 CA TYR A 51 20.067 -20.238 10.583 1.00 54.31 C ATOM 753 C TYR A 51 19.024 -19.608 11.502 1.00 43.44 C ATOM 754 O TYR A 51 17.905 -19.314 11.080 1.00 62.43 O ATOM 755 CB TYR A 51 21.423 -19.564 10.795 1.00 43.34 C ATOM 756 CG TYR A 51 22.502 -20.510 11.272 1.00 73.13 C ATOM 757 CD1 TYR A 51 22.311 -21.302 12.397 1.00 75.20 C ATOM 758 CD2 TYR A 51 23.712 -20.613 10.596 1.00 13.22 C ATOM 759 CE1 TYR A 51 23.293 -22.168 12.837 1.00 44.52 C ATOM 760 CE2 TYR A 51 24.700 -21.477 11.028 1.00 53.51 C ATOM 761 CZ TYR A 51 24.486 -22.251 12.149 1.00 60.31 C ATOM 762 OH TYR A 51 25.467 -23.113 12.583 1.00 60.21 O ATOM 0 H TYR A 51 18.707 -19.803 9.048 1.00 35.12 H new ATOM 0 HA TYR A 51 20.152 -21.296 10.831 1.00 54.31 H new ATOM 0 HB2 TYR A 51 21.742 -19.105 9.859 1.00 43.34 H new ATOM 0 HB3 TYR A 51 21.310 -18.760 11.522 1.00 43.34 H new ATOM 0 HD1 TYR A 51 21.378 -21.240 12.937 1.00 75.20 H new ATOM 0 HD2 TYR A 51 23.883 -20.007 9.718 1.00 13.22 H new ATOM 0 HE1 TYR A 51 23.128 -22.776 13.714 1.00 44.52 H new ATOM 0 HE2 TYR A 51 25.634 -21.546 10.491 1.00 53.51 H new ATOM 0 HH TYR A 51 26.243 -23.052 11.988 1.00 60.21 H new ATOM 772 N ILE A 52 19.401 -19.402 12.759 1.00 12.11 N ATOM 773 CA ILE A 52 18.500 -18.805 13.738 1.00 63.13 C ATOM 774 C ILE A 52 17.909 -17.500 13.216 1.00 14.01 C ATOM 775 O ILE A 52 18.307 -17.003 12.164 1.00 70.13 O ATOM 776 CB ILE A 52 19.220 -18.533 15.072 1.00 54.41 C ATOM 777 CG1 ILE A 52 20.670 -18.117 14.819 1.00 64.52 C ATOM 778 CG2 ILE A 52 19.163 -19.763 15.965 1.00 1.10 C ATOM 779 CD1 ILE A 52 20.807 -16.943 13.875 1.00 70.41 C ATOM 0 H ILE A 52 20.323 -19.639 13.124 1.00 12.11 H new ATOM 0 HA ILE A 52 17.697 -19.522 13.908 1.00 63.13 H new ATOM 0 HB ILE A 52 18.712 -17.715 15.582 1.00 54.41 H new ATOM 0 HG12 ILE A 52 21.138 -17.864 15.770 1.00 64.52 H new ATOM 0 HG13 ILE A 52 21.217 -18.967 14.411 1.00 64.52 H new ATOM 0 HG21 ILE A 52 19.676 -19.555 16.904 1.00 1.10 H new ATOM 0 HG22 ILE A 52 18.123 -20.017 16.168 1.00 1.10 H new ATOM 0 HG23 ILE A 52 19.649 -20.600 15.463 1.00 1.10 H new ATOM 0 HD11 ILE A 52 21.862 -16.704 13.742 1.00 70.41 H new ATOM 0 HD12 ILE A 52 20.369 -17.199 12.910 1.00 70.41 H new ATOM 0 HD13 ILE A 52 20.289 -16.079 14.291 1.00 70.41 H new ATOM 791 N ASN A 53 16.956 -16.949 13.962 1.00 42.15 N ATOM 792 CA ASN A 53 16.310 -15.700 13.575 1.00 11.11 C ATOM 793 C ASN A 53 17.110 -14.498 14.068 1.00 21.11 C ATOM 794 O ASN A 53 16.562 -13.586 14.688 1.00 22.31 O ATOM 795 CB ASN A 53 14.887 -15.643 14.134 1.00 31.54 C ATOM 796 CG ASN A 53 13.935 -14.899 13.219 1.00 52.15 C ATOM 797 OD1 ASN A 53 14.304 -14.497 12.115 1.00 4.53 O ATOM 798 ND2 ASN A 53 12.701 -14.712 13.673 1.00 2.04 N ATOM 0 H ASN A 53 16.615 -17.347 14.837 1.00 42.15 H new ATOM 0 HA ASN A 53 16.268 -15.664 12.486 1.00 11.11 H new ATOM 0 HB2 ASN A 53 14.520 -16.658 14.288 1.00 31.54 H new ATOM 0 HB3 ASN A 53 14.902 -15.158 15.110 1.00 31.54 H new ATOM 0 HD21 ASN A 53 12.016 -14.218 13.100 1.00 2.04 H new ATOM 0 HD22 ASN A 53 12.438 -15.062 14.594 1.00 2.04 H new ATOM 805 N TYR A 54 18.408 -14.504 13.788 1.00 45.21 N ATOM 806 CA TYR A 54 19.285 -13.415 14.204 1.00 30.50 C ATOM 807 C TYR A 54 20.740 -13.729 13.868 1.00 52.45 C ATOM 808 O TYR A 54 21.636 -13.527 14.686 1.00 35.24 O ATOM 809 CB TYR A 54 19.140 -13.162 15.706 1.00 44.15 C ATOM 810 CG TYR A 54 18.946 -14.423 16.517 1.00 61.14 C ATOM 811 CD1 TYR A 54 19.992 -15.318 16.707 1.00 2.34 C ATOM 812 CD2 TYR A 54 17.717 -14.721 17.091 1.00 12.34 C ATOM 813 CE1 TYR A 54 19.819 -16.472 17.447 1.00 3.41 C ATOM 814 CE2 TYR A 54 17.535 -15.871 17.834 1.00 62.42 C ATOM 815 CZ TYR A 54 18.589 -16.744 18.009 1.00 42.34 C ATOM 816 OH TYR A 54 18.412 -17.892 18.746 1.00 0.23 O ATOM 0 H TYR A 54 18.877 -15.250 13.275 1.00 45.21 H new ATOM 0 HA TYR A 54 18.991 -12.517 13.660 1.00 30.50 H new ATOM 0 HB2 TYR A 54 20.028 -12.642 16.066 1.00 44.15 H new ATOM 0 HB3 TYR A 54 18.292 -12.498 15.874 1.00 44.15 H new ATOM 0 HD1 TYR A 54 20.957 -15.108 16.269 1.00 2.34 H new ATOM 0 HD2 TYR A 54 16.889 -14.041 16.954 1.00 12.34 H new ATOM 0 HE1 TYR A 54 20.642 -17.157 17.585 1.00 3.41 H new ATOM 0 HE2 TYR A 54 16.573 -16.086 18.276 1.00 62.42 H new ATOM 0 HH TYR A 54 17.489 -17.932 19.072 1.00 0.23 H new ATOM 826 N GLY A 55 20.967 -14.223 12.654 1.00 13.31 N ATOM 827 CA GLY A 55 22.314 -14.556 12.229 1.00 54.43 C ATOM 828 C GLY A 55 22.331 -15.441 10.998 1.00 11.23 C ATOM 829 O GLY A 55 21.430 -15.373 10.163 1.00 0.42 O ATOM 0 H GLY A 55 20.242 -14.398 11.958 1.00 13.31 H new ATOM 0 HA2 GLY A 55 22.863 -13.638 12.020 1.00 54.43 H new ATOM 0 HA3 GLY A 55 22.834 -15.061 13.043 1.00 54.43 H new ATOM 833 N GLY A 56 23.361 -16.274 10.885 1.00 71.03 N ATOM 834 CA GLY A 56 23.473 -17.163 9.743 1.00 25.13 C ATOM 835 C GLY A 56 24.180 -16.514 8.570 1.00 51.51 C ATOM 836 O GLY A 56 24.725 -15.417 8.695 1.00 44.01 O ATOM 0 H GLY A 56 24.119 -16.349 11.563 1.00 71.03 H new ATOM 0 HA2 GLY A 56 24.015 -18.062 10.038 1.00 25.13 H new ATOM 0 HA3 GLY A 56 22.477 -17.479 9.433 1.00 25.13 H new ATOM 840 N ARG A 57 24.172 -17.192 7.427 1.00 12.11 N ATOM 841 CA ARG A 57 24.819 -16.675 6.227 1.00 23.34 C ATOM 842 C ARG A 57 23.930 -15.651 5.528 1.00 64.10 C ATOM 843 O ARG A 57 22.874 -15.992 4.995 1.00 11.14 O ATOM 844 CB ARG A 57 25.150 -17.820 5.268 1.00 51.45 C ATOM 845 CG ARG A 57 23.948 -18.675 4.903 1.00 72.22 C ATOM 846 CD ARG A 57 23.607 -18.556 3.426 1.00 70.34 C ATOM 847 NE ARG A 57 22.174 -18.694 3.182 1.00 54.42 N ATOM 848 CZ ARG A 57 21.550 -19.864 3.106 1.00 13.13 C ATOM 849 NH1 ARG A 57 22.230 -20.992 3.255 1.00 32.22 N ATOM 850 NH2 ARG A 57 20.243 -19.907 2.882 1.00 73.12 N ATOM 0 H ARG A 57 23.725 -18.101 7.307 1.00 12.11 H new ATOM 0 HA ARG A 57 25.744 -16.182 6.526 1.00 23.34 H new ATOM 0 HB2 ARG A 57 25.581 -17.406 4.356 1.00 51.45 H new ATOM 0 HB3 ARG A 57 25.912 -18.454 5.722 1.00 51.45 H new ATOM 0 HG2 ARG A 57 24.154 -19.717 5.147 1.00 72.22 H new ATOM 0 HG3 ARG A 57 23.089 -18.371 5.501 1.00 72.22 H new ATOM 0 HD2 ARG A 57 23.947 -17.590 3.052 1.00 70.34 H new ATOM 0 HD3 ARG A 57 24.145 -19.321 2.867 1.00 70.34 H new ATOM 0 HE ARG A 57 21.622 -17.845 3.063 1.00 54.42 H new ATOM 0 HH11 ARG A 57 23.235 -20.963 3.428 1.00 32.22 H new ATOM 0 HH12 ARG A 57 21.749 -21.889 3.196 1.00 32.22 H new ATOM 0 HH21 ARG A 57 19.716 -19.041 2.768 1.00 73.12 H new ATOM 0 HH22 ARG A 57 19.765 -20.806 2.824 1.00 73.12 H new ATOM 864 N TYR A 58 24.365 -14.396 5.534 1.00 22.01 N ATOM 865 CA TYR A 58 23.608 -13.322 4.903 1.00 12.31 C ATOM 866 C TYR A 58 23.815 -13.324 3.392 1.00 41.24 C ATOM 867 O TYR A 58 24.835 -12.848 2.893 1.00 0.33 O ATOM 868 CB TYR A 58 24.021 -11.968 5.484 1.00 64.41 C ATOM 869 CG TYR A 58 23.520 -10.787 4.684 1.00 65.44 C ATOM 870 CD1 TYR A 58 22.235 -10.775 4.156 1.00 22.13 C ATOM 871 CD2 TYR A 58 24.333 -9.683 4.456 1.00 74.22 C ATOM 872 CE1 TYR A 58 21.774 -9.699 3.424 1.00 51.41 C ATOM 873 CE2 TYR A 58 23.879 -8.601 3.726 1.00 62.52 C ATOM 874 CZ TYR A 58 22.599 -8.614 3.212 1.00 64.14 C ATOM 875 OH TYR A 58 22.143 -7.539 2.484 1.00 60.13 O ATOM 0 H TYR A 58 25.238 -14.098 5.969 1.00 22.01 H new ATOM 0 HA TYR A 58 22.550 -13.490 5.107 1.00 12.31 H new ATOM 0 HB2 TYR A 58 23.646 -11.890 6.504 1.00 64.41 H new ATOM 0 HB3 TYR A 58 25.109 -11.923 5.540 1.00 64.41 H new ATOM 0 HD1 TYR A 58 21.586 -11.622 4.321 1.00 22.13 H new ATOM 0 HD2 TYR A 58 25.336 -9.671 4.856 1.00 74.22 H new ATOM 0 HE1 TYR A 58 20.773 -9.707 3.019 1.00 51.41 H new ATOM 0 HE2 TYR A 58 24.523 -7.750 3.559 1.00 62.52 H new ATOM 0 HH TYR A 58 22.847 -6.859 2.429 1.00 60.13 H new ATOM 885 N TRP A 59 22.840 -13.863 2.669 1.00 41.55 N ATOM 886 CA TRP A 59 22.914 -13.927 1.213 1.00 2.33 C ATOM 887 C TRP A 59 21.601 -13.478 0.581 1.00 4.31 C ATOM 888 O TRP A 59 20.600 -14.192 0.634 1.00 0.12 O ATOM 889 CB TRP A 59 23.252 -15.348 0.762 1.00 61.45 C ATOM 890 CG TRP A 59 22.735 -15.676 -0.607 1.00 0.43 C ATOM 891 CD1 TRP A 59 23.181 -15.169 -1.794 1.00 71.31 C ATOM 892 CD2 TRP A 59 21.673 -16.581 -0.928 1.00 1.34 C ATOM 893 NE1 TRP A 59 22.460 -15.705 -2.834 1.00 20.11 N ATOM 894 CE2 TRP A 59 21.530 -16.574 -2.329 1.00 34.41 C ATOM 895 CE3 TRP A 59 20.831 -17.397 -0.168 1.00 70.22 C ATOM 896 CZ2 TRP A 59 20.578 -17.352 -2.983 1.00 13.01 C ATOM 897 CZ3 TRP A 59 19.886 -18.168 -0.819 1.00 25.13 C ATOM 898 CH2 TRP A 59 19.766 -18.142 -2.215 1.00 4.15 C ATOM 0 H TRP A 59 21.989 -14.262 3.066 1.00 41.55 H new ATOM 0 HA TRP A 59 23.703 -13.251 0.884 1.00 2.33 H new ATOM 0 HB2 TRP A 59 24.334 -15.478 0.775 1.00 61.45 H new ATOM 0 HB3 TRP A 59 22.838 -16.057 1.479 1.00 61.45 H new ATOM 0 HD1 TRP A 59 23.982 -14.453 -1.900 1.00 71.31 H new ATOM 0 HE1 TRP A 59 22.596 -15.490 -3.822 1.00 20.11 H new ATOM 0 HE3 TRP A 59 20.917 -17.425 0.908 1.00 70.22 H new ATOM 0 HZ2 TRP A 59 20.484 -17.333 -4.059 1.00 13.01 H new ATOM 0 HZ3 TRP A 59 19.229 -18.801 -0.242 1.00 25.13 H new ATOM 0 HH2 TRP A 59 19.019 -18.757 -2.694 1.00 4.15 H new ATOM 909 N ASP A 60 21.613 -12.291 -0.017 1.00 30.44 N ATOM 910 CA ASP A 60 20.423 -11.748 -0.660 1.00 73.05 C ATOM 911 C ASP A 60 20.278 -12.289 -2.080 1.00 13.44 C ATOM 912 O ASP A 60 21.263 -12.668 -2.714 1.00 73.34 O ATOM 913 CB ASP A 60 20.484 -10.220 -0.687 1.00 72.03 C ATOM 914 CG ASP A 60 21.849 -9.702 -1.094 1.00 64.31 C ATOM 915 OD1 ASP A 60 22.732 -9.603 -0.216 1.00 44.02 O ATOM 916 OD2 ASP A 60 22.036 -9.397 -2.290 1.00 74.34 O ATOM 0 H ASP A 60 22.434 -11.687 -0.069 1.00 30.44 H new ATOM 0 HA ASP A 60 19.553 -12.059 -0.081 1.00 73.05 H new ATOM 0 HB2 ASP A 60 19.733 -9.842 -1.381 1.00 72.03 H new ATOM 0 HB3 ASP A 60 20.231 -9.832 0.299 1.00 72.03 H new ATOM 921 N LEU A 61 19.044 -12.322 -2.571 1.00 42.23 N ATOM 922 CA LEU A 61 18.769 -12.817 -3.916 1.00 25.23 C ATOM 923 C LEU A 61 18.610 -11.662 -4.900 1.00 21.55 C ATOM 924 O LEU A 61 18.144 -10.584 -4.536 1.00 11.41 O ATOM 925 CB LEU A 61 17.506 -13.679 -3.915 1.00 31.34 C ATOM 926 CG LEU A 61 16.840 -13.895 -5.274 1.00 34.42 C ATOM 927 CD1 LEU A 61 17.733 -14.728 -6.180 1.00 44.52 C ATOM 928 CD2 LEU A 61 15.482 -14.562 -5.102 1.00 43.25 C ATOM 0 H LEU A 61 18.218 -12.012 -2.059 1.00 42.23 H new ATOM 0 HA LEU A 61 19.616 -13.425 -4.233 1.00 25.23 H new ATOM 0 HB2 LEU A 61 17.756 -14.654 -3.496 1.00 31.34 H new ATOM 0 HB3 LEU A 61 16.778 -13.221 -3.245 1.00 31.34 H new ATOM 0 HG LEU A 61 16.689 -12.922 -5.742 1.00 34.42 H new ATOM 0 HD11 LEU A 61 17.242 -14.871 -7.143 1.00 44.52 H new ATOM 0 HD12 LEU A 61 18.682 -14.213 -6.329 1.00 44.52 H new ATOM 0 HD13 LEU A 61 17.916 -15.698 -5.718 1.00 44.52 H new ATOM 0 HD21 LEU A 61 15.022 -14.708 -6.079 1.00 43.25 H new ATOM 0 HD22 LEU A 61 15.610 -15.528 -4.613 1.00 43.25 H new ATOM 0 HD23 LEU A 61 14.840 -13.928 -4.490 1.00 43.25 H new ATOM 940 N GLY A 62 18.999 -11.898 -6.149 1.00 61.10 N ATOM 941 CA GLY A 62 18.889 -10.869 -7.167 1.00 24.24 C ATOM 942 C GLY A 62 18.196 -11.365 -8.420 1.00 14.11 C ATOM 943 O GLY A 62 17.554 -12.415 -8.426 1.00 32.54 O ATOM 0 H GLY A 62 19.388 -12.783 -6.474 1.00 61.10 H new ATOM 0 HA2 GLY A 62 18.338 -10.020 -6.763 1.00 24.24 H new ATOM 0 HA3 GLY A 62 19.885 -10.509 -7.425 1.00 24.24 H new ATOM 947 N PRO A 63 18.320 -10.597 -9.513 1.00 33.04 N ATOM 948 CA PRO A 63 17.705 -10.944 -10.798 1.00 2.44 C ATOM 949 C PRO A 63 18.243 -12.254 -11.363 1.00 2.32 C ATOM 950 O PRO A 63 19.222 -12.264 -12.107 1.00 64.14 O ATOM 951 CB PRO A 63 18.092 -9.772 -11.703 1.00 52.32 C ATOM 952 CG PRO A 63 19.273 -9.153 -11.038 1.00 54.34 C ATOM 953 CD PRO A 63 19.070 -9.332 -9.578 1.00 40.31 C ATOM 0 HA PRO A 63 16.629 -11.094 -10.708 1.00 2.44 H new ATOM 0 HB2 PRO A 63 18.338 -10.113 -12.709 1.00 52.32 H new ATOM 0 HB3 PRO A 63 17.273 -9.059 -11.799 1.00 52.32 H new ATOM 0 HG2 PRO A 63 20.197 -9.630 -11.364 1.00 54.34 H new ATOM 0 HG3 PRO A 63 19.353 -8.096 -11.293 1.00 54.34 H new ATOM 0 HD2 PRO A 63 20.017 -9.394 -9.041 1.00 40.31 H new ATOM 0 HD3 PRO A 63 18.510 -8.505 -9.142 1.00 40.31 H new ATOM 961 N GLY A 64 17.596 -13.358 -11.004 1.00 74.21 N ATOM 962 CA GLY A 64 18.024 -14.659 -11.485 1.00 52.43 C ATOM 963 C GLY A 64 17.197 -15.791 -10.910 1.00 32.04 C ATOM 964 O GLY A 64 16.387 -15.580 -10.008 1.00 0.45 O ATOM 0 H GLY A 64 16.783 -13.375 -10.388 1.00 74.21 H new ATOM 0 HA2 GLY A 64 17.957 -14.681 -12.573 1.00 52.43 H new ATOM 0 HA3 GLY A 64 19.072 -14.811 -11.227 1.00 52.43 H new ATOM 968 N GLU A 65 17.400 -16.996 -11.433 1.00 52.14 N ATOM 969 CA GLU A 65 16.664 -18.165 -10.967 1.00 11.14 C ATOM 970 C GLU A 65 17.610 -19.331 -10.695 1.00 4.33 C ATOM 971 O GLU A 65 18.598 -19.521 -11.405 1.00 20.33 O ATOM 972 CB GLU A 65 15.612 -18.578 -11.998 1.00 15.14 C ATOM 973 CG GLU A 65 14.822 -19.814 -11.600 1.00 40.20 C ATOM 974 CD GLU A 65 15.167 -21.024 -12.446 1.00 40.34 C ATOM 975 OE1 GLU A 65 16.370 -21.249 -12.695 1.00 71.34 O ATOM 976 OE2 GLU A 65 14.235 -21.744 -12.860 1.00 20.51 O ATOM 0 H GLU A 65 18.068 -17.188 -12.180 1.00 52.14 H new ATOM 0 HA GLU A 65 16.164 -17.900 -10.035 1.00 11.14 H new ATOM 0 HB2 GLU A 65 14.921 -17.749 -12.151 1.00 15.14 H new ATOM 0 HB3 GLU A 65 16.104 -18.764 -12.953 1.00 15.14 H new ATOM 0 HG2 GLU A 65 15.014 -20.042 -10.552 1.00 40.20 H new ATOM 0 HG3 GLU A 65 13.756 -19.604 -11.690 1.00 40.20 H new ATOM 983 N TYR A 66 17.302 -20.107 -9.662 1.00 35.00 N ATOM 984 CA TYR A 66 18.125 -21.252 -9.293 1.00 62.35 C ATOM 985 C TYR A 66 17.291 -22.320 -8.592 1.00 62.01 C ATOM 986 O TYR A 66 16.316 -22.011 -7.908 1.00 32.45 O ATOM 987 CB TYR A 66 19.275 -20.810 -8.387 1.00 13.35 C ATOM 988 CG TYR A 66 18.917 -20.798 -6.918 1.00 13.35 C ATOM 989 CD1 TYR A 66 19.101 -21.927 -6.128 1.00 53.45 C ATOM 990 CD2 TYR A 66 18.394 -19.658 -6.319 1.00 33.32 C ATOM 991 CE1 TYR A 66 18.774 -21.921 -4.786 1.00 44.40 C ATOM 992 CE2 TYR A 66 18.066 -19.643 -4.977 1.00 1.20 C ATOM 993 CZ TYR A 66 18.258 -20.776 -4.215 1.00 20.31 C ATOM 994 OH TYR A 66 17.932 -20.765 -2.878 1.00 74.31 O ATOM 0 H TYR A 66 16.488 -19.964 -9.065 1.00 35.00 H new ATOM 0 HA TYR A 66 18.536 -21.681 -10.207 1.00 62.35 H new ATOM 0 HB2 TYR A 66 20.124 -21.476 -8.540 1.00 13.35 H new ATOM 0 HB3 TYR A 66 19.596 -19.811 -8.682 1.00 13.35 H new ATOM 0 HD1 TYR A 66 19.507 -22.824 -6.571 1.00 53.45 H new ATOM 0 HD2 TYR A 66 18.241 -18.769 -6.913 1.00 33.32 H new ATOM 0 HE1 TYR A 66 18.921 -22.808 -4.187 1.00 44.40 H new ATOM 0 HE2 TYR A 66 17.661 -18.748 -4.527 1.00 1.20 H new ATOM 0 HH TYR A 66 18.518 -21.384 -2.393 1.00 74.31 H new ATOM 1004 N SER A 67 17.683 -23.578 -8.768 1.00 4.24 N ATOM 1005 CA SER A 67 16.971 -24.693 -8.155 1.00 24.12 C ATOM 1006 C SER A 67 17.940 -25.624 -7.431 1.00 14.21 C ATOM 1007 O SER A 67 18.353 -26.650 -7.971 1.00 41.44 O ATOM 1008 CB SER A 67 16.193 -25.474 -9.216 1.00 0.52 C ATOM 1009 OG SER A 67 16.972 -25.661 -10.385 1.00 20.24 O ATOM 0 H SER A 67 18.490 -23.850 -9.330 1.00 4.24 H new ATOM 0 HA SER A 67 16.270 -24.287 -7.426 1.00 24.12 H new ATOM 0 HB2 SER A 67 15.896 -26.443 -8.814 1.00 0.52 H new ATOM 0 HB3 SER A 67 15.277 -24.939 -9.467 1.00 0.52 H new ATOM 0 HG SER A 67 17.823 -26.085 -10.147 1.00 20.24 H new ATOM 1015 N SER A 68 18.297 -25.258 -6.204 1.00 50.42 N ATOM 1016 CA SER A 68 19.220 -26.057 -5.406 1.00 54.32 C ATOM 1017 C SER A 68 18.472 -27.140 -4.634 1.00 63.14 C ATOM 1018 O SER A 68 17.328 -26.948 -4.222 1.00 44.11 O ATOM 1019 CB SER A 68 19.992 -25.163 -4.434 1.00 62.01 C ATOM 1020 OG SER A 68 20.687 -24.139 -5.125 1.00 30.20 O ATOM 0 H SER A 68 17.961 -24.414 -5.741 1.00 50.42 H new ATOM 0 HA SER A 68 19.925 -26.539 -6.083 1.00 54.32 H new ATOM 0 HB2 SER A 68 19.302 -24.718 -3.717 1.00 62.01 H new ATOM 0 HB3 SER A 68 20.699 -25.766 -3.864 1.00 62.01 H new ATOM 0 HG SER A 68 20.303 -23.268 -4.891 1.00 30.20 H new ATOM 1026 N VAL A 69 19.128 -28.280 -4.443 1.00 21.33 N ATOM 1027 CA VAL A 69 18.528 -29.395 -3.720 1.00 31.22 C ATOM 1028 C VAL A 69 19.592 -30.233 -3.019 1.00 50.52 C ATOM 1029 O VAL A 69 19.350 -31.383 -2.657 1.00 23.33 O ATOM 1030 CB VAL A 69 17.715 -30.302 -4.662 1.00 74.41 C ATOM 1031 CG1 VAL A 69 16.572 -29.525 -5.297 1.00 73.11 C ATOM 1032 CG2 VAL A 69 18.616 -30.907 -5.728 1.00 30.10 C ATOM 0 H VAL A 69 20.075 -28.456 -4.779 1.00 21.33 H new ATOM 0 HA VAL A 69 17.859 -28.965 -2.974 1.00 31.22 H new ATOM 0 HB VAL A 69 17.288 -31.115 -4.075 1.00 74.41 H new ATOM 0 HG11 VAL A 69 16.009 -30.182 -5.959 1.00 73.11 H new ATOM 0 HG12 VAL A 69 15.913 -29.145 -4.517 1.00 73.11 H new ATOM 0 HG13 VAL A 69 16.974 -28.690 -5.871 1.00 73.11 H new ATOM 0 HG21 VAL A 69 18.025 -31.545 -6.385 1.00 30.10 H new ATOM 0 HG22 VAL A 69 19.074 -30.109 -6.313 1.00 30.10 H new ATOM 0 HG23 VAL A 69 19.396 -31.501 -5.251 1.00 30.10 H new ATOM 1042 N GLU A 70 20.770 -29.646 -2.832 1.00 22.03 N ATOM 1043 CA GLU A 70 21.872 -30.339 -2.174 1.00 73.22 C ATOM 1044 C GLU A 70 23.100 -29.439 -2.076 1.00 50.03 C ATOM 1045 O GLU A 70 24.235 -29.907 -2.167 1.00 32.20 O ATOM 1046 CB GLU A 70 22.224 -31.620 -2.934 1.00 52.21 C ATOM 1047 CG GLU A 70 22.374 -31.417 -4.432 1.00 50.24 C ATOM 1048 CD GLU A 70 23.606 -32.100 -4.993 1.00 4.50 C ATOM 1049 OE1 GLU A 70 24.722 -31.788 -4.527 1.00 11.15 O ATOM 1050 OE2 GLU A 70 23.455 -32.946 -5.899 1.00 34.24 O ATOM 0 H GLU A 70 20.986 -28.694 -3.126 1.00 22.03 H new ATOM 0 HA GLU A 70 21.553 -30.599 -1.165 1.00 73.22 H new ATOM 0 HB2 GLU A 70 23.154 -32.025 -2.536 1.00 52.21 H new ATOM 0 HB3 GLU A 70 21.449 -32.365 -2.753 1.00 52.21 H new ATOM 0 HG2 GLU A 70 21.488 -31.802 -4.937 1.00 50.24 H new ATOM 0 HG3 GLU A 70 22.425 -30.350 -4.647 1.00 50.24 H new ATOM 1057 N SER A 71 22.864 -28.144 -1.891 1.00 60.02 N ATOM 1058 CA SER A 71 23.950 -27.177 -1.785 1.00 40.33 C ATOM 1059 C SER A 71 23.469 -25.891 -1.120 1.00 1.30 C ATOM 1060 O SER A 71 24.171 -25.305 -0.296 1.00 42.14 O ATOM 1061 CB SER A 71 24.521 -26.865 -3.170 1.00 73.22 C ATOM 1062 OG SER A 71 25.535 -25.879 -3.094 1.00 0.43 O ATOM 0 H SER A 71 21.931 -27.740 -1.811 1.00 60.02 H new ATOM 0 HA SER A 71 24.734 -27.615 -1.167 1.00 40.33 H new ATOM 0 HB2 SER A 71 24.927 -27.775 -3.613 1.00 73.22 H new ATOM 0 HB3 SER A 71 23.722 -26.520 -3.827 1.00 73.22 H new ATOM 0 HG SER A 71 25.884 -25.699 -3.992 1.00 0.43 H new ATOM 1068 N ALA A 72 22.266 -25.458 -1.484 1.00 5.40 N ATOM 1069 CA ALA A 72 21.690 -24.243 -0.922 1.00 14.31 C ATOM 1070 C ALA A 72 21.718 -24.276 0.602 1.00 1.24 C ATOM 1071 O ALA A 72 22.237 -23.363 1.243 1.00 2.12 O ATOM 1072 CB ALA A 72 20.265 -24.055 -1.421 1.00 73.12 C ATOM 0 H ALA A 72 21.672 -25.931 -2.165 1.00 5.40 H new ATOM 0 HA ALA A 72 22.294 -23.398 -1.252 1.00 14.31 H new ATOM 0 HB1 ALA A 72 19.847 -23.144 -0.993 1.00 73.12 H new ATOM 0 HB2 ALA A 72 20.267 -23.978 -2.508 1.00 73.12 H new ATOM 0 HB3 ALA A 72 19.658 -24.909 -1.119 1.00 73.12 H new ATOM 1078 N GLY A 73 21.156 -25.334 1.178 1.00 75.44 N ATOM 1079 CA GLY A 73 21.127 -25.466 2.623 1.00 53.34 C ATOM 1080 C GLY A 73 20.408 -26.721 3.076 1.00 14.55 C ATOM 1081 O GLY A 73 19.212 -26.687 3.369 1.00 71.11 O ATOM 0 H GLY A 73 20.720 -26.103 0.669 1.00 75.44 H new ATOM 0 HA2 GLY A 73 22.148 -25.478 3.004 1.00 53.34 H new ATOM 0 HA3 GLY A 73 20.636 -24.594 3.055 1.00 53.34 H new ATOM 1085 N ILE A 74 21.136 -27.830 3.134 1.00 24.11 N ATOM 1086 CA ILE A 74 20.560 -29.101 3.555 1.00 50.01 C ATOM 1087 C ILE A 74 21.328 -29.689 4.734 1.00 35.10 C ATOM 1088 O ILE A 74 21.988 -30.722 4.624 1.00 61.24 O ATOM 1089 CB ILE A 74 20.549 -30.123 2.403 1.00 72.11 C ATOM 1090 CG1 ILE A 74 20.098 -29.454 1.103 1.00 43.12 C ATOM 1091 CG2 ILE A 74 19.641 -31.295 2.744 1.00 61.42 C ATOM 1092 CD1 ILE A 74 18.695 -28.892 1.167 1.00 63.21 C ATOM 0 H ILE A 74 22.127 -27.875 2.895 1.00 24.11 H new ATOM 0 HA ILE A 74 19.533 -28.897 3.859 1.00 50.01 H new ATOM 0 HB ILE A 74 21.562 -30.501 2.263 1.00 72.11 H new ATOM 0 HG12 ILE A 74 20.792 -28.650 0.858 1.00 43.12 H new ATOM 0 HG13 ILE A 74 20.153 -30.180 0.292 1.00 43.12 H new ATOM 0 HG21 ILE A 74 19.644 -32.009 1.920 1.00 61.42 H new ATOM 0 HG22 ILE A 74 20.002 -31.784 3.649 1.00 61.42 H new ATOM 0 HG23 ILE A 74 18.626 -30.933 2.907 1.00 61.42 H new ATOM 0 HD11 ILE A 74 18.443 -28.433 0.211 1.00 63.21 H new ATOM 0 HD12 ILE A 74 17.990 -29.696 1.381 1.00 63.21 H new ATOM 0 HD13 ILE A 74 18.639 -28.141 1.955 1.00 63.21 H new ATOM 1104 N PRO A 75 21.239 -29.018 5.892 1.00 75.01 N ATOM 1105 CA PRO A 75 21.916 -29.457 7.115 1.00 3.04 C ATOM 1106 C PRO A 75 21.236 -30.663 7.754 1.00 21.10 C ATOM 1107 O PRO A 75 21.875 -31.684 8.012 1.00 51.52 O ATOM 1108 CB PRO A 75 21.815 -28.237 8.034 1.00 34.04 C ATOM 1109 CG PRO A 75 20.628 -27.486 7.537 1.00 43.32 C ATOM 1110 CD PRO A 75 20.469 -27.779 6.096 1.00 31.31 C ATOM 0 HA PRO A 75 22.939 -29.778 6.921 1.00 3.04 H new ATOM 0 HB2 PRO A 75 21.688 -28.535 9.075 1.00 34.04 H new ATOM 0 HB3 PRO A 75 22.718 -27.628 7.985 1.00 34.04 H new ATOM 0 HG2 PRO A 75 19.734 -27.781 8.086 1.00 43.32 H new ATOM 0 HG3 PRO A 75 20.761 -26.416 7.695 1.00 43.32 H new ATOM 0 HD2 PRO A 75 19.420 -27.913 5.830 1.00 31.31 H new ATOM 0 HD3 PRO A 75 20.852 -26.966 5.480 1.00 31.31 H new ATOM 1118 N ASP A 76 19.938 -30.539 8.006 1.00 32.44 N ATOM 1119 CA ASP A 76 19.170 -31.621 8.614 1.00 45.43 C ATOM 1120 C ASP A 76 17.713 -31.212 8.805 1.00 42.10 C ATOM 1121 O ASP A 76 16.833 -31.651 8.066 1.00 21.44 O ATOM 1122 CB ASP A 76 19.783 -32.017 9.958 1.00 12.51 C ATOM 1123 CG ASP A 76 18.832 -32.836 10.809 1.00 51.34 C ATOM 1124 OD1 ASP A 76 18.292 -33.838 10.296 1.00 24.43 O ATOM 1125 OD2 ASP A 76 18.627 -32.474 11.986 1.00 14.42 O ATOM 0 H ASP A 76 19.395 -29.701 7.799 1.00 32.44 H new ATOM 0 HA ASP A 76 19.202 -32.479 7.942 1.00 45.43 H new ATOM 0 HB2 ASP A 76 20.694 -32.589 9.784 1.00 12.51 H new ATOM 0 HB3 ASP A 76 20.070 -31.117 10.502 1.00 12.51 H new ATOM 1130 N ASN A 77 17.466 -30.369 9.802 1.00 5.33 N ATOM 1131 CA ASN A 77 16.116 -29.902 10.092 1.00 15.10 C ATOM 1132 C ASN A 77 15.829 -28.586 9.375 1.00 4.24 C ATOM 1133 O ASN A 77 16.604 -28.149 8.524 1.00 22.34 O ATOM 1134 CB ASN A 77 15.927 -29.726 11.600 1.00 13.01 C ATOM 1135 CG ASN A 77 16.699 -28.540 12.145 1.00 22.10 C ATOM 1136 OD1 ASN A 77 17.792 -28.227 11.673 1.00 62.21 O ATOM 1137 ND2 ASN A 77 16.133 -27.874 13.144 1.00 13.04 N ATOM 0 H ASN A 77 18.184 -29.995 10.423 1.00 5.33 H new ATOM 0 HA ASN A 77 15.414 -30.653 9.730 1.00 15.10 H new ATOM 0 HB2 ASN A 77 14.867 -29.597 11.818 1.00 13.01 H new ATOM 0 HB3 ASN A 77 16.250 -30.632 12.112 1.00 13.01 H new ATOM 0 HD21 ASN A 77 16.606 -27.067 13.552 1.00 13.04 H new ATOM 0 HD22 ASN A 77 15.225 -28.169 13.504 1.00 13.04 H new ATOM 1144 N SER A 78 14.712 -27.958 9.726 1.00 14.05 N ATOM 1145 CA SER A 78 14.321 -26.693 9.115 1.00 70.11 C ATOM 1146 C SER A 78 14.744 -25.515 9.986 1.00 4.35 C ATOM 1147 O SER A 78 14.249 -25.343 11.101 1.00 74.05 O ATOM 1148 CB SER A 78 12.808 -26.657 8.889 1.00 63.31 C ATOM 1149 OG SER A 78 12.487 -25.961 7.697 1.00 20.03 O ATOM 0 H SER A 78 14.061 -28.305 10.431 1.00 14.05 H new ATOM 0 HA SER A 78 14.827 -26.611 8.153 1.00 70.11 H new ATOM 0 HB2 SER A 78 12.421 -27.675 8.835 1.00 63.31 H new ATOM 0 HB3 SER A 78 12.322 -26.175 9.737 1.00 63.31 H new ATOM 0 HG SER A 78 11.690 -25.410 7.844 1.00 20.03 H new ATOM 1155 N ILE A 79 15.664 -24.706 9.471 1.00 61.11 N ATOM 1156 CA ILE A 79 16.154 -23.543 10.201 1.00 71.33 C ATOM 1157 C ILE A 79 16.633 -22.456 9.245 1.00 72.01 C ATOM 1158 O ILE A 79 17.829 -22.181 9.150 1.00 20.41 O ATOM 1159 CB ILE A 79 17.306 -23.919 11.151 1.00 31.52 C ATOM 1160 CG1 ILE A 79 18.351 -24.760 10.414 1.00 55.10 C ATOM 1161 CG2 ILE A 79 16.771 -24.671 12.361 1.00 74.44 C ATOM 1162 CD1 ILE A 79 19.762 -24.235 10.561 1.00 34.11 C ATOM 0 H ILE A 79 16.085 -24.835 8.551 1.00 61.11 H new ATOM 0 HA ILE A 79 15.318 -23.164 10.789 1.00 71.33 H new ATOM 0 HB ILE A 79 17.784 -23.003 11.499 1.00 31.52 H new ATOM 0 HG12 ILE A 79 18.312 -25.783 10.788 1.00 55.10 H new ATOM 0 HG13 ILE A 79 18.094 -24.798 9.355 1.00 55.10 H new ATOM 0 HG21 ILE A 79 17.597 -24.930 13.023 1.00 74.44 H new ATOM 0 HG22 ILE A 79 16.061 -24.041 12.896 1.00 74.44 H new ATOM 0 HG23 ILE A 79 16.271 -25.582 12.031 1.00 74.44 H new ATOM 0 HD11 ILE A 79 20.449 -24.880 10.013 1.00 34.11 H new ATOM 0 HD12 ILE A 79 19.817 -23.223 10.161 1.00 34.11 H new ATOM 0 HD13 ILE A 79 20.038 -24.224 11.615 1.00 34.11 H new ATOM 1174 N SER A 80 15.690 -21.839 8.539 1.00 5.12 N ATOM 1175 CA SER A 80 16.016 -20.782 7.589 1.00 61.13 C ATOM 1176 C SER A 80 14.799 -19.905 7.314 1.00 54.41 C ATOM 1177 O SER A 80 13.663 -20.299 7.578 1.00 30.12 O ATOM 1178 CB SER A 80 16.530 -21.385 6.280 1.00 43.10 C ATOM 1179 OG SER A 80 15.459 -21.839 5.472 1.00 75.02 O ATOM 0 H SER A 80 14.695 -22.053 8.607 1.00 5.12 H new ATOM 0 HA SER A 80 16.798 -20.162 8.027 1.00 61.13 H new ATOM 0 HB2 SER A 80 17.110 -20.639 5.736 1.00 43.10 H new ATOM 0 HB3 SER A 80 17.202 -22.215 6.498 1.00 43.10 H new ATOM 0 HG SER A 80 15.814 -22.218 4.641 1.00 75.02 H new ATOM 1185 N SER A 81 15.045 -18.712 6.781 1.00 12.14 N ATOM 1186 CA SER A 81 13.970 -17.776 6.474 1.00 41.43 C ATOM 1187 C SER A 81 14.469 -16.655 5.566 1.00 72.41 C ATOM 1188 O SER A 81 15.673 -16.438 5.433 1.00 64.20 O ATOM 1189 CB SER A 81 13.395 -17.185 7.762 1.00 31.15 C ATOM 1190 OG SER A 81 11.979 -17.143 7.717 1.00 42.54 O ATOM 0 H SER A 81 15.979 -18.371 6.553 1.00 12.14 H new ATOM 0 HA SER A 81 13.185 -18.322 5.952 1.00 41.43 H new ATOM 0 HB2 SER A 81 13.717 -17.782 8.615 1.00 31.15 H new ATOM 0 HB3 SER A 81 13.787 -16.179 7.911 1.00 31.15 H new ATOM 0 HG SER A 81 11.636 -16.763 8.553 1.00 42.54 H new ATOM 1196 N PHE A 82 13.533 -15.947 4.943 1.00 42.42 N ATOM 1197 CA PHE A 82 13.876 -14.849 4.046 1.00 2.22 C ATOM 1198 C PHE A 82 12.770 -13.798 4.026 1.00 44.42 C ATOM 1199 O PHE A 82 11.586 -14.128 3.963 1.00 21.14 O ATOM 1200 CB PHE A 82 14.121 -15.376 2.631 1.00 54.24 C ATOM 1201 CG PHE A 82 12.860 -15.744 1.902 1.00 32.42 C ATOM 1202 CD1 PHE A 82 12.024 -16.735 2.394 1.00 44.44 C ATOM 1203 CD2 PHE A 82 12.510 -15.100 0.726 1.00 32.44 C ATOM 1204 CE1 PHE A 82 10.864 -17.076 1.725 1.00 62.12 C ATOM 1205 CE2 PHE A 82 11.350 -15.437 0.053 1.00 24.44 C ATOM 1206 CZ PHE A 82 10.526 -16.426 0.554 1.00 41.10 C ATOM 0 H PHE A 82 12.532 -16.114 5.042 1.00 42.42 H new ATOM 0 HA PHE A 82 14.789 -14.383 4.415 1.00 2.22 H new ATOM 0 HB2 PHE A 82 14.655 -14.619 2.057 1.00 54.24 H new ATOM 0 HB3 PHE A 82 14.769 -16.251 2.685 1.00 54.24 H new ATOM 0 HD1 PHE A 82 12.282 -17.246 3.310 1.00 44.44 H new ATOM 0 HD2 PHE A 82 13.151 -14.326 0.330 1.00 32.44 H new ATOM 0 HE1 PHE A 82 10.222 -17.851 2.118 1.00 62.12 H new ATOM 0 HE2 PHE A 82 11.089 -14.928 -0.863 1.00 24.44 H new ATOM 0 HZ PHE A 82 9.619 -16.691 0.031 1.00 41.10 H new ATOM 1216 N ARG A 83 13.166 -12.530 4.079 1.00 22.04 N ATOM 1217 CA ARG A 83 12.210 -11.430 4.069 1.00 53.20 C ATOM 1218 C ARG A 83 11.887 -11.003 2.640 1.00 63.21 C ATOM 1219 O ARG A 83 12.774 -10.602 1.887 1.00 4.55 O ATOM 1220 CB ARG A 83 12.761 -10.239 4.856 1.00 73.31 C ATOM 1221 CG ARG A 83 12.681 -10.416 6.363 1.00 33.24 C ATOM 1222 CD ARG A 83 11.587 -9.550 6.969 1.00 42.03 C ATOM 1223 NE ARG A 83 11.366 -9.854 8.380 1.00 63.01 N ATOM 1224 CZ ARG A 83 10.253 -9.541 9.034 1.00 70.24 C ATOM 1225 NH1 ARG A 83 9.265 -8.919 8.406 1.00 15.12 N ATOM 1226 NH2 ARG A 83 10.127 -9.851 10.318 1.00 74.35 N ATOM 0 H ARG A 83 14.143 -12.240 4.129 1.00 22.04 H new ATOM 0 HA ARG A 83 11.292 -11.776 4.543 1.00 53.20 H new ATOM 0 HB2 ARG A 83 13.801 -10.077 4.572 1.00 73.31 H new ATOM 0 HB3 ARG A 83 12.210 -9.342 4.574 1.00 73.31 H new ATOM 0 HG2 ARG A 83 12.489 -11.463 6.598 1.00 33.24 H new ATOM 0 HG3 ARG A 83 13.640 -10.159 6.812 1.00 33.24 H new ATOM 0 HD2 ARG A 83 11.856 -8.499 6.863 1.00 42.03 H new ATOM 0 HD3 ARG A 83 10.659 -9.699 6.417 1.00 42.03 H new ATOM 0 HE ARG A 83 12.107 -10.333 8.892 1.00 63.01 H new ATOM 0 HH11 ARG A 83 9.359 -8.680 7.419 1.00 15.12 H new ATOM 0 HH12 ARG A 83 8.411 -8.680 8.910 1.00 15.12 H new ATOM 0 HH21 ARG A 83 10.885 -10.330 10.804 1.00 74.35 H new ATOM 0 HH22 ARG A 83 9.272 -9.610 10.819 1.00 74.35 H new ATOM 1240 N GLN A 84 10.613 -11.094 2.274 1.00 72.31 N ATOM 1241 CA GLN A 84 10.174 -10.719 0.935 1.00 44.12 C ATOM 1242 C GLN A 84 10.042 -9.205 0.810 1.00 12.30 C ATOM 1243 O GLN A 84 9.064 -8.617 1.275 1.00 64.32 O ATOM 1244 CB GLN A 84 8.839 -11.389 0.606 1.00 11.51 C ATOM 1245 CG GLN A 84 8.953 -12.884 0.359 1.00 71.13 C ATOM 1246 CD GLN A 84 7.736 -13.650 0.841 1.00 44.34 C ATOM 1247 OE1 GLN A 84 7.496 -13.763 2.043 1.00 52.31 O ATOM 1248 NE2 GLN A 84 6.961 -14.181 -0.098 1.00 11.35 N ATOM 0 H GLN A 84 9.866 -11.424 2.886 1.00 72.31 H new ATOM 0 HA GLN A 84 10.927 -11.059 0.224 1.00 44.12 H new ATOM 0 HB2 GLN A 84 8.144 -11.217 1.427 1.00 11.51 H new ATOM 0 HB3 GLN A 84 8.412 -10.915 -0.278 1.00 11.51 H new ATOM 0 HG2 GLN A 84 9.091 -13.063 -0.707 1.00 71.13 H new ATOM 0 HG3 GLN A 84 9.841 -13.265 0.864 1.00 71.13 H new ATOM 0 HE21 GLN A 84 7.199 -14.062 -1.083 1.00 11.35 H new ATOM 0 HE22 GLN A 84 6.128 -14.708 0.166 1.00 11.35 H new ATOM 1257 N ILE A 85 11.031 -8.579 0.180 1.00 34.15 N ATOM 1258 CA ILE A 85 11.023 -7.133 -0.006 1.00 23.54 C ATOM 1259 C ILE A 85 11.181 -6.768 -1.478 1.00 2.14 C ATOM 1260 O ILE A 85 12.282 -6.821 -2.027 1.00 75.31 O ATOM 1261 CB ILE A 85 12.145 -6.456 0.803 1.00 24.11 C ATOM 1262 CG1 ILE A 85 13.433 -7.277 0.717 1.00 64.43 C ATOM 1263 CG2 ILE A 85 11.720 -6.279 2.253 1.00 1.31 C ATOM 1264 CD1 ILE A 85 14.690 -6.438 0.778 1.00 24.25 C ATOM 0 H ILE A 85 11.847 -9.050 -0.210 1.00 34.15 H new ATOM 0 HA ILE A 85 10.059 -6.773 0.354 1.00 23.54 H new ATOM 0 HB ILE A 85 12.335 -5.471 0.377 1.00 24.11 H new ATOM 0 HG12 ILE A 85 13.449 -8.000 1.533 1.00 64.43 H new ATOM 0 HG13 ILE A 85 13.430 -7.846 -0.213 1.00 64.43 H new ATOM 0 HG21 ILE A 85 12.524 -5.799 2.812 1.00 1.31 H new ATOM 0 HG22 ILE A 85 10.826 -5.657 2.297 1.00 1.31 H new ATOM 0 HG23 ILE A 85 11.505 -7.254 2.691 1.00 1.31 H new ATOM 0 HD11 ILE A 85 15.564 -7.086 0.712 1.00 24.25 H new ATOM 0 HD12 ILE A 85 14.697 -5.733 -0.053 1.00 24.25 H new ATOM 0 HD13 ILE A 85 14.716 -5.889 1.720 1.00 24.25 H new TER 1276 ILE A 85