USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 71 GLN : amide:sc= -13.5! C(o=-19!,f=-22!) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -6.13! C(o=-26!,f=-19!) USER MOD Set 1.3: A 97 THR OG1 : rot 111:sc= 0.975 USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.24! C(o=-5.8!,f=-5.5!) USER MOD Set 2.2: A 25 GLN : amide:sc= -3.26! C(o=-5.5!,f=-5.8!) USER MOD Single : A 1 ALA N :NH3+ -144:sc= -0.805 (180deg=-2.23!) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.834 F(o=-3.4!,f=-0.83) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0195 F(o=-1.6!,f=-0.02) USER MOD Single : A 13 ASN : amide:sc= -1.5 K(o=-1.5,f=-8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0394 (180deg=-0.643) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 86:sc= 1.1 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 164:sc= -1.11 (180deg=-1.73) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.85! C(o=-5.3!,f=-3.9!) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000861) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.17 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.0258 (180deg=-0.357) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.12 (180deg=-0.723) USER MOD Single : A 52 SER OG : rot 65:sc= 0.928 USER MOD Single : A 55 SER OG : rot -93:sc= -0.558! USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0866 X(o=-0.087,f=-0.24) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -3.33 F(o=-5.3!,f=-3.3) USER MOD Single : A 83 LYS NZ :NH3+ 140:sc= -0.203 (180deg=-1.24!) USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= -0.0531 (180deg=-0.402) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.209 F(o=-1.3!,f=-0.21) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.322 X(o=0.32,f=-0.02) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.937 F(o=-4.5!,f=-0.94) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.335 6.414 0.258 1.00 0.00 N ATOM 2 CA ALA A 1 -18.232 6.964 -1.123 1.00 0.00 C ATOM 3 C ALA A 1 -17.062 7.950 -1.198 1.00 0.00 C ATOM 4 O ALA A 1 -16.354 8.011 -2.181 1.00 0.00 O ATOM 5 CB ALA A 1 -19.532 7.676 -1.471 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.629 5.417 0.214 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.410 6.482 0.729 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.038 6.958 0.797 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.058 6.154 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.466 8.082 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.360 6.969 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.703 8.488 -0.764 1.00 0.00 H new ATOM 10 N ASP A 2 -16.850 8.713 -0.160 1.00 0.00 N ATOM 11 CA ASP A 2 -15.719 9.686 -0.165 1.00 0.00 C ATOM 12 C ASP A 2 -14.419 8.917 0.025 1.00 0.00 C ATOM 13 O ASP A 2 -14.403 7.704 -0.021 1.00 0.00 O ATOM 14 CB ASP A 2 -15.896 10.687 0.982 1.00 0.00 C ATOM 15 CG ASP A 2 -17.105 11.582 0.702 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.206 11.181 1.041 1.00 0.00 O ATOM 17 OD2 ASP A 2 -16.908 12.654 0.155 1.00 0.00 O ATOM 0 H ASP A 2 -17.411 8.705 0.692 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.698 10.229 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.035 10.155 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.998 11.295 1.089 1.00 0.00 H new ATOM 22 N LEU A 3 -13.327 9.604 0.239 1.00 0.00 N ATOM 23 CA LEU A 3 -12.029 8.897 0.432 1.00 0.00 C ATOM 24 C LEU A 3 -12.236 7.720 1.392 1.00 0.00 C ATOM 25 O LEU A 3 -11.472 6.774 1.409 1.00 0.00 O ATOM 26 CB LEU A 3 -11.005 9.870 1.015 1.00 0.00 C ATOM 27 CG LEU A 3 -10.446 10.792 -0.084 1.00 0.00 C ATOM 28 CD1 LEU A 3 -9.526 11.820 0.572 1.00 0.00 C ATOM 29 CD2 LEU A 3 -9.641 9.984 -1.130 1.00 0.00 C ATOM 0 H LEU A 3 -13.279 10.622 0.288 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.663 8.523 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.470 10.469 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.191 9.314 1.480 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.275 11.281 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.119 12.484 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.092 12.405 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.709 11.306 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.257 10.659 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.808 9.481 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.290 9.241 -1.594 1.00 0.00 H new ATOM 41 N GLU A 4 -13.283 7.764 2.173 1.00 0.00 N ATOM 42 CA GLU A 4 -13.563 6.644 3.112 1.00 0.00 C ATOM 43 C GLU A 4 -13.836 5.374 2.305 1.00 0.00 C ATOM 44 O GLU A 4 -13.643 4.272 2.776 1.00 0.00 O ATOM 45 CB GLU A 4 -14.796 6.978 3.960 1.00 0.00 C ATOM 46 CG GLU A 4 -16.031 7.062 3.060 1.00 0.00 C ATOM 47 CD GLU A 4 -17.184 7.706 3.831 1.00 0.00 C ATOM 48 OE1 GLU A 4 -17.464 7.250 4.927 1.00 0.00 O ATOM 49 OE2 GLU A 4 -17.767 8.644 3.313 1.00 0.00 O ATOM 0 H GLU A 4 -13.956 8.530 2.199 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.705 6.493 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.942 6.215 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.647 7.925 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.805 7.647 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.317 6.065 2.723 1.00 0.00 H new ATOM 56 N ASP A 5 -14.303 5.516 1.094 1.00 0.00 N ATOM 57 CA ASP A 5 -14.593 4.310 0.275 1.00 0.00 C ATOM 58 C ASP A 5 -13.291 3.700 -0.251 1.00 0.00 C ATOM 59 O ASP A 5 -13.197 2.501 -0.424 1.00 0.00 O ATOM 60 CB ASP A 5 -15.525 4.683 -0.890 1.00 0.00 C ATOM 61 CG ASP A 5 -14.747 5.458 -1.957 1.00 0.00 C ATOM 62 OD1 ASP A 5 -13.762 6.087 -1.607 1.00 0.00 O ATOM 63 OD2 ASP A 5 -15.148 5.407 -3.109 1.00 0.00 O ATOM 0 H ASP A 5 -14.494 6.410 0.641 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.091 3.567 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.955 3.781 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.355 5.287 -0.523 1.00 0.00 H new ATOM 68 N ASN A 6 -12.267 4.488 -0.487 1.00 0.00 N ATOM 69 CA ASN A 6 -10.994 3.884 -0.968 1.00 0.00 C ATOM 70 C ASN A 6 -10.603 2.843 0.084 1.00 0.00 C ATOM 71 O ASN A 6 -10.224 1.730 -0.217 1.00 0.00 O ATOM 72 CB ASN A 6 -9.922 4.993 -1.122 1.00 0.00 C ATOM 73 CG ASN A 6 -8.541 4.499 -0.691 1.00 0.00 C ATOM 74 OD1 ASN A 6 -8.307 4.315 0.574 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -7.671 4.285 -1.513 1.00 0.00 N flip ATOM 0 H ASN A 6 -12.261 5.501 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.093 3.411 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.884 5.323 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.204 5.859 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.859 4.431 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.753 3.960 -1.211 1.00 0.00 H new ATOM 82 N TRP A 7 -10.745 3.214 1.325 1.00 0.00 N ATOM 83 CA TRP A 7 -10.445 2.283 2.440 1.00 0.00 C ATOM 84 C TRP A 7 -11.303 1.024 2.263 1.00 0.00 C ATOM 85 O TRP A 7 -10.860 -0.084 2.495 1.00 0.00 O ATOM 86 CB TRP A 7 -10.815 2.984 3.764 1.00 0.00 C ATOM 87 CG TRP A 7 -9.604 3.598 4.401 1.00 0.00 C ATOM 88 CD1 TRP A 7 -8.877 4.598 3.859 1.00 0.00 C ATOM 89 CD2 TRP A 7 -8.978 3.283 5.679 1.00 0.00 C ATOM 90 NE1 TRP A 7 -7.853 4.930 4.727 1.00 0.00 N ATOM 91 CE2 TRP A 7 -7.871 4.147 5.863 1.00 0.00 C ATOM 92 CE3 TRP A 7 -9.260 2.347 6.691 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -7.073 4.086 7.005 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -8.456 2.280 7.841 1.00 0.00 C ATOM 95 CH2 TRP A 7 -7.366 3.149 7.998 1.00 0.00 C ATOM 0 H TRP A 7 -11.062 4.139 1.615 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.390 2.008 2.450 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.562 3.755 3.576 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -11.265 2.264 4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.065 5.063 2.903 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.168 5.664 4.549 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -10.099 1.676 6.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.235 4.758 7.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -8.679 1.555 8.609 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.754 3.093 8.886 1.00 0.00 H new ATOM 106 N GLU A 8 -12.538 1.198 1.866 1.00 0.00 N ATOM 107 CA GLU A 8 -13.435 0.025 1.690 1.00 0.00 C ATOM 108 C GLU A 8 -12.811 -0.940 0.680 1.00 0.00 C ATOM 109 O GLU A 8 -12.789 -2.135 0.885 1.00 0.00 O ATOM 110 CB GLU A 8 -14.800 0.493 1.184 1.00 0.00 C ATOM 111 CG GLU A 8 -15.832 -0.621 1.391 1.00 0.00 C ATOM 112 CD GLU A 8 -17.215 -0.125 0.965 1.00 0.00 C ATOM 113 OE1 GLU A 8 -17.355 0.268 -0.181 1.00 0.00 O ATOM 114 OE2 GLU A 8 -18.111 -0.149 1.793 1.00 0.00 O ATOM 0 H GLU A 8 -12.960 2.103 1.657 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.565 -0.483 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.108 1.392 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.738 0.754 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.555 -1.500 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.850 -0.924 2.438 1.00 0.00 H new ATOM 121 N THR A 9 -12.288 -0.436 -0.402 1.00 0.00 N ATOM 122 CA THR A 9 -11.654 -1.340 -1.398 1.00 0.00 C ATOM 123 C THR A 9 -10.584 -2.162 -0.682 1.00 0.00 C ATOM 124 O THR A 9 -10.569 -3.380 -0.721 1.00 0.00 O ATOM 125 CB THR A 9 -11.007 -0.500 -2.517 1.00 0.00 C ATOM 126 OG1 THR A 9 -11.853 0.599 -2.822 1.00 0.00 O ATOM 127 CG2 THR A 9 -10.814 -1.357 -3.771 1.00 0.00 C ATOM 0 H THR A 9 -12.272 0.556 -0.638 1.00 0.00 H new ATOM 0 HA THR A 9 -12.399 -2.000 -1.841 1.00 0.00 H new ATOM 0 HB THR A 9 -10.035 -0.139 -2.181 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.446 1.138 -3.532 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.356 -0.755 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.167 -2.202 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.782 -1.725 -4.113 1.00 0.00 H new ATOM 135 N LEU A 10 -9.696 -1.490 -0.015 1.00 0.00 N ATOM 136 CA LEU A 10 -8.617 -2.186 0.721 1.00 0.00 C ATOM 137 C LEU A 10 -9.229 -3.017 1.855 1.00 0.00 C ATOM 138 O LEU A 10 -8.675 -3.996 2.290 1.00 0.00 O ATOM 139 CB LEU A 10 -7.663 -1.122 1.304 1.00 0.00 C ATOM 140 CG LEU A 10 -6.522 -0.796 0.318 1.00 0.00 C ATOM 141 CD1 LEU A 10 -7.024 0.153 -0.772 1.00 0.00 C ATOM 142 CD2 LEU A 10 -5.370 -0.128 1.075 1.00 0.00 C ATOM 0 H LEU A 10 -9.673 -0.472 0.052 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.068 -2.851 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.222 -0.214 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.244 -1.481 2.244 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.176 -1.721 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.211 0.377 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.843 -0.318 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.377 1.078 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.563 0.103 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.724 0.793 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.002 -0.804 1.847 1.00 0.00 H new ATOM 154 N ASN A 11 -10.358 -2.628 2.350 1.00 0.00 N ATOM 155 CA ASN A 11 -10.972 -3.397 3.466 1.00 0.00 C ATOM 156 C ASN A 11 -11.223 -4.837 3.034 1.00 0.00 C ATOM 157 O ASN A 11 -10.677 -5.773 3.579 1.00 0.00 O ATOM 158 CB ASN A 11 -12.311 -2.775 3.828 1.00 0.00 C ATOM 159 CG ASN A 11 -12.824 -3.368 5.146 1.00 0.00 C ATOM 160 OD1 ASN A 11 -12.002 -4.024 5.921 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -13.986 -3.233 5.472 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.886 -1.814 2.036 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.293 -3.377 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.206 -1.694 3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.033 -2.957 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.629 -2.721 4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.319 -3.632 6.350 1.00 0.00 H new ATOM 168 N ASP A 12 -12.069 -5.009 2.062 1.00 0.00 N ATOM 169 CA ASP A 12 -12.392 -6.377 1.586 1.00 0.00 C ATOM 170 C ASP A 12 -11.114 -7.098 1.226 1.00 0.00 C ATOM 171 O ASP A 12 -11.065 -8.310 1.204 1.00 0.00 O ATOM 172 CB ASP A 12 -13.253 -6.291 0.337 1.00 0.00 C ATOM 173 CG ASP A 12 -14.670 -5.852 0.714 1.00 0.00 C ATOM 174 OD1 ASP A 12 -14.802 -5.091 1.658 1.00 0.00 O ATOM 175 OD2 ASP A 12 -15.598 -6.287 0.053 1.00 0.00 O ATOM 0 H ASP A 12 -12.553 -4.256 1.574 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.922 -6.911 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.818 -5.582 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.283 -7.259 -0.163 1.00 0.00 H new ATOM 180 N ASN A 13 -10.074 -6.382 0.926 1.00 0.00 N ATOM 181 CA ASN A 13 -8.832 -7.099 0.560 1.00 0.00 C ATOM 182 C ASN A 13 -8.344 -7.860 1.798 1.00 0.00 C ATOM 183 O ASN A 13 -8.202 -9.064 1.774 1.00 0.00 O ATOM 184 CB ASN A 13 -7.747 -6.124 0.070 1.00 0.00 C ATOM 185 CG ASN A 13 -7.900 -5.875 -1.431 1.00 0.00 C ATOM 186 OD1 ASN A 13 -7.262 -6.527 -2.230 1.00 0.00 O ATOM 187 ND2 ASN A 13 -8.722 -4.951 -1.849 1.00 0.00 N ATOM 0 H ASN A 13 -10.028 -5.363 0.918 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.037 -7.790 -0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.823 -5.181 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.759 -6.533 0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.828 -4.777 -2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.258 -4.403 -1.176 1.00 0.00 H new ATOM 194 N LEU A 14 -8.106 -7.167 2.882 1.00 0.00 N ATOM 195 CA LEU A 14 -7.644 -7.845 4.129 1.00 0.00 C ATOM 196 C LEU A 14 -8.654 -8.928 4.505 1.00 0.00 C ATOM 197 O LEU A 14 -8.315 -9.958 5.052 1.00 0.00 O ATOM 198 CB LEU A 14 -7.597 -6.829 5.282 1.00 0.00 C ATOM 199 CG LEU A 14 -6.337 -5.938 5.231 1.00 0.00 C ATOM 200 CD1 LEU A 14 -5.065 -6.778 5.350 1.00 0.00 C ATOM 201 CD2 LEU A 14 -6.292 -5.121 3.933 1.00 0.00 C ATOM 0 H LEU A 14 -8.213 -6.155 2.957 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.656 -8.272 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.486 -6.199 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.624 -7.361 6.233 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.389 -5.254 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.193 -6.125 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.073 -7.317 6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.021 -7.491 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.395 -4.502 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.276 -5.797 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.173 -4.482 3.874 1.00 0.00 H new ATOM 213 N LYS A 15 -9.895 -8.668 4.238 1.00 0.00 N ATOM 214 CA LYS A 15 -10.974 -9.626 4.592 1.00 0.00 C ATOM 215 C LYS A 15 -10.724 -10.990 3.951 1.00 0.00 C ATOM 216 O LYS A 15 -10.748 -12.005 4.614 1.00 0.00 O ATOM 217 CB LYS A 15 -12.294 -9.041 4.074 1.00 0.00 C ATOM 218 CG LYS A 15 -13.491 -9.784 4.675 1.00 0.00 C ATOM 219 CD LYS A 15 -14.787 -9.360 3.943 1.00 0.00 C ATOM 220 CE LYS A 15 -15.067 -10.307 2.769 1.00 0.00 C ATOM 221 NZ LYS A 15 -15.724 -11.547 3.273 1.00 0.00 N ATOM 0 H LYS A 15 -10.217 -7.815 3.780 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.006 -9.771 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.352 -7.983 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.326 -9.110 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.346 -10.861 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.573 -9.562 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.627 -9.373 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.690 -8.337 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.708 -9.816 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.136 -10.557 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.913 -12.188 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.097 -12.019 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.620 -11.300 3.739 1.00 0.00 H new ATOM 235 N VAL A 16 -10.509 -11.040 2.671 1.00 0.00 N ATOM 236 CA VAL A 16 -10.300 -12.347 2.019 1.00 0.00 C ATOM 237 C VAL A 16 -8.976 -12.995 2.464 1.00 0.00 C ATOM 238 O VAL A 16 -8.978 -14.140 2.837 1.00 0.00 O ATOM 239 CB VAL A 16 -10.377 -12.140 0.494 1.00 0.00 C ATOM 240 CG1 VAL A 16 -9.600 -13.227 -0.247 1.00 0.00 C ATOM 241 CG2 VAL A 16 -11.841 -12.195 0.043 1.00 0.00 C ATOM 0 H VAL A 16 -10.470 -10.230 2.052 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.080 -13.046 2.321 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.940 -11.169 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.671 -13.057 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.554 -13.197 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.020 -14.203 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.895 -12.049 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.264 -13.166 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.406 -11.409 0.545 1.00 0.00 H new ATOM 251 N ILE A 17 -7.847 -12.322 2.430 1.00 0.00 N ATOM 252 CA ILE A 17 -6.593 -13.028 2.866 1.00 0.00 C ATOM 253 C ILE A 17 -6.854 -13.661 4.231 1.00 0.00 C ATOM 254 O ILE A 17 -6.636 -14.838 4.442 1.00 0.00 O ATOM 255 CB ILE A 17 -5.388 -12.052 2.967 1.00 0.00 C ATOM 256 CG1 ILE A 17 -5.693 -10.765 2.190 1.00 0.00 C ATOM 257 CG2 ILE A 17 -4.133 -12.712 2.385 1.00 0.00 C ATOM 258 CD1 ILE A 17 -4.424 -9.907 2.042 1.00 0.00 C ATOM 0 H ILE A 17 -7.738 -11.353 2.132 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.339 -13.785 2.124 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.217 -11.810 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.087 -11.014 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.465 -10.196 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.292 -12.023 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.908 -13.621 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.306 -12.963 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.661 -8.999 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.047 -9.642 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.663 -10.472 1.503 1.00 0.00 H new ATOM 270 N GLU A 18 -7.344 -12.881 5.143 1.00 0.00 N ATOM 271 CA GLU A 18 -7.652 -13.409 6.493 1.00 0.00 C ATOM 272 C GLU A 18 -8.612 -14.593 6.363 1.00 0.00 C ATOM 273 O GLU A 18 -8.660 -15.456 7.215 1.00 0.00 O ATOM 274 CB GLU A 18 -8.329 -12.303 7.313 1.00 0.00 C ATOM 275 CG GLU A 18 -7.376 -11.091 7.504 1.00 0.00 C ATOM 276 CD GLU A 18 -6.757 -11.115 8.908 1.00 0.00 C ATOM 277 OE1 GLU A 18 -7.415 -10.665 9.832 1.00 0.00 O ATOM 278 OE2 GLU A 18 -5.641 -11.590 9.033 1.00 0.00 O ATOM 0 H GLU A 18 -7.547 -11.890 5.010 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.734 -13.732 6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.240 -11.978 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.624 -12.695 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.588 -11.117 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.926 -10.161 7.357 1.00 0.00 H new ATOM 285 N LYS A 19 -9.404 -14.621 5.309 1.00 0.00 N ATOM 286 CA LYS A 19 -10.398 -15.730 5.125 1.00 0.00 C ATOM 287 C LYS A 19 -10.231 -16.359 3.732 1.00 0.00 C ATOM 288 O LYS A 19 -11.188 -16.784 3.116 1.00 0.00 O ATOM 289 CB LYS A 19 -11.811 -15.129 5.262 1.00 0.00 C ATOM 290 CG LYS A 19 -11.992 -14.511 6.672 1.00 0.00 C ATOM 291 CD LYS A 19 -12.947 -13.306 6.627 1.00 0.00 C ATOM 292 CE LYS A 19 -14.319 -13.757 6.122 1.00 0.00 C ATOM 293 NZ LYS A 19 -14.866 -14.790 7.047 1.00 0.00 N ATOM 0 H LYS A 19 -9.402 -13.920 4.568 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.241 -16.506 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.966 -14.366 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.561 -15.902 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.383 -15.264 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.024 -14.198 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.040 -12.866 7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.543 -12.533 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.997 -12.906 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.233 -14.163 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.892 -14.879 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.408 -15.704 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.681 -14.508 8.031 1.00 0.00 H new ATOM 307 N ALA A 20 -9.024 -16.406 3.226 1.00 0.00 N ATOM 308 CA ALA A 20 -8.794 -16.988 1.868 1.00 0.00 C ATOM 309 C ALA A 20 -9.120 -18.484 1.855 1.00 0.00 C ATOM 310 O ALA A 20 -9.450 -19.040 0.829 1.00 0.00 O ATOM 311 CB ALA A 20 -7.332 -16.782 1.461 1.00 0.00 C ATOM 0 H ALA A 20 -8.186 -16.065 3.696 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.450 -16.482 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.167 -17.207 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.107 -15.716 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.681 -17.277 2.182 1.00 0.00 H new ATOM 317 N ASP A 21 -9.002 -19.138 2.978 1.00 0.00 N ATOM 318 CA ASP A 21 -9.274 -20.606 3.036 1.00 0.00 C ATOM 319 C ASP A 21 -8.154 -21.355 2.308 1.00 0.00 C ATOM 320 O ASP A 21 -7.764 -22.438 2.693 1.00 0.00 O ATOM 321 CB ASP A 21 -10.628 -20.911 2.373 1.00 0.00 C ATOM 322 CG ASP A 21 -11.601 -19.764 2.653 1.00 0.00 C ATOM 323 OD1 ASP A 21 -11.769 -19.429 3.814 1.00 0.00 O ATOM 324 OD2 ASP A 21 -12.163 -19.244 1.702 1.00 0.00 O ATOM 0 H ASP A 21 -8.727 -18.717 3.865 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.310 -20.931 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.499 -21.038 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.032 -21.847 2.759 1.00 0.00 H new ATOM 329 N ASN A 22 -7.628 -20.774 1.264 1.00 0.00 N ATOM 330 CA ASN A 22 -6.520 -21.432 0.509 1.00 0.00 C ATOM 331 C ASN A 22 -5.660 -20.357 -0.160 1.00 0.00 C ATOM 332 O ASN A 22 -6.138 -19.293 -0.505 1.00 0.00 O ATOM 333 CB ASN A 22 -7.095 -22.368 -0.563 1.00 0.00 C ATOM 334 CG ASN A 22 -8.292 -23.126 0.007 1.00 0.00 C ATOM 335 OD1 ASN A 22 -9.487 -22.631 -0.149 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -8.140 -24.178 0.595 1.00 0.00 N flip ATOM 0 H ASN A 22 -7.919 -19.867 0.899 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.912 -22.016 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.399 -21.793 -1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.331 -23.071 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.204 -24.564 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.949 -24.675 0.968 1.00 0.00 H new ATOM 343 N ALA A 23 -4.399 -20.626 -0.351 1.00 0.00 N ATOM 344 CA ALA A 23 -3.515 -19.620 -1.001 1.00 0.00 C ATOM 345 C ALA A 23 -4.150 -19.159 -2.317 1.00 0.00 C ATOM 346 O ALA A 23 -3.726 -18.195 -2.915 1.00 0.00 O ATOM 347 CB ALA A 23 -2.145 -20.249 -1.281 1.00 0.00 C ATOM 0 H ALA A 23 -3.943 -21.499 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.390 -18.762 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.497 -19.513 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.696 -20.575 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.267 -21.107 -1.942 1.00 0.00 H new ATOM 353 N ALA A 24 -5.159 -19.847 -2.776 1.00 0.00 N ATOM 354 CA ALA A 24 -5.808 -19.445 -4.056 1.00 0.00 C ATOM 355 C ALA A 24 -6.532 -18.106 -3.878 1.00 0.00 C ATOM 356 O ALA A 24 -6.281 -17.153 -4.591 1.00 0.00 O ATOM 357 CB ALA A 24 -6.817 -20.515 -4.479 1.00 0.00 C ATOM 0 H ALA A 24 -5.561 -20.667 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.042 -19.340 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.290 -20.219 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.302 -21.466 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.578 -20.623 -3.706 1.00 0.00 H new ATOM 363 N GLN A 25 -7.441 -18.027 -2.942 1.00 0.00 N ATOM 364 CA GLN A 25 -8.184 -16.752 -2.743 1.00 0.00 C ATOM 365 C GLN A 25 -7.233 -15.658 -2.250 1.00 0.00 C ATOM 366 O GLN A 25 -7.569 -14.490 -2.255 1.00 0.00 O ATOM 367 CB GLN A 25 -9.303 -16.970 -1.719 1.00 0.00 C ATOM 368 CG GLN A 25 -10.474 -17.777 -2.352 1.00 0.00 C ATOM 369 CD GLN A 25 -10.820 -18.989 -1.477 1.00 0.00 C ATOM 370 OE1 GLN A 25 -11.690 -18.914 -0.632 1.00 0.00 O ATOM 371 NE2 GLN A 25 -10.165 -20.107 -1.642 1.00 0.00 N ATOM 0 H GLN A 25 -7.699 -18.786 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.616 -16.437 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.912 -17.504 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.669 -16.008 -1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.349 -17.136 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.197 -18.109 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.435 -20.170 -2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.384 -20.917 -1.062 1.00 0.00 H new ATOM 380 N VAL A 26 -6.046 -16.012 -1.842 1.00 0.00 N ATOM 381 CA VAL A 26 -5.088 -14.977 -1.380 1.00 0.00 C ATOM 382 C VAL A 26 -4.610 -14.204 -2.614 1.00 0.00 C ATOM 383 O VAL A 26 -4.661 -12.990 -2.664 1.00 0.00 O ATOM 384 CB VAL A 26 -3.896 -15.672 -0.690 1.00 0.00 C ATOM 385 CG1 VAL A 26 -2.682 -14.738 -0.666 1.00 0.00 C ATOM 386 CG2 VAL A 26 -4.265 -16.076 0.748 1.00 0.00 C ATOM 0 H VAL A 26 -5.701 -16.971 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.554 -14.294 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.648 -16.570 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.847 -15.239 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.402 -14.479 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.932 -13.830 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.412 -16.565 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.534 -15.187 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.111 -16.763 0.727 1.00 0.00 H new ATOM 396 N LYS A 27 -4.154 -14.912 -3.609 1.00 0.00 N ATOM 397 CA LYS A 27 -3.675 -14.253 -4.858 1.00 0.00 C ATOM 398 C LYS A 27 -4.765 -13.320 -5.367 1.00 0.00 C ATOM 399 O LYS A 27 -4.512 -12.263 -5.909 1.00 0.00 O ATOM 400 CB LYS A 27 -3.393 -15.322 -5.918 1.00 0.00 C ATOM 401 CG LYS A 27 -2.439 -16.370 -5.348 1.00 0.00 C ATOM 402 CD LYS A 27 -2.433 -17.615 -6.246 1.00 0.00 C ATOM 403 CE LYS A 27 -1.909 -17.267 -7.649 1.00 0.00 C ATOM 404 NZ LYS A 27 -1.245 -18.466 -8.236 1.00 0.00 N ATOM 0 H LYS A 27 -4.092 -15.930 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.764 -13.690 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.325 -15.795 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.957 -14.863 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.433 -15.958 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.745 -16.641 -4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.808 -18.389 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.441 -18.022 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.731 -16.943 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.204 -16.438 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.889 -18.236 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.451 -18.755 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.931 -19.245 -8.303 1.00 0.00 H new ATOM 418 N ASP A 28 -5.979 -13.728 -5.188 1.00 0.00 N ATOM 419 CA ASP A 28 -7.140 -12.910 -5.640 1.00 0.00 C ATOM 420 C ASP A 28 -7.126 -11.567 -4.920 1.00 0.00 C ATOM 421 O ASP A 28 -7.048 -10.529 -5.528 1.00 0.00 O ATOM 422 CB ASP A 28 -8.438 -13.677 -5.306 1.00 0.00 C ATOM 423 CG ASP A 28 -9.488 -13.467 -6.407 1.00 0.00 C ATOM 424 OD1 ASP A 28 -9.329 -14.049 -7.469 1.00 0.00 O ATOM 425 OD2 ASP A 28 -10.429 -12.729 -6.167 1.00 0.00 O ATOM 0 H ASP A 28 -6.228 -14.610 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.083 -12.732 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.222 -14.740 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.833 -13.335 -4.349 1.00 0.00 H new ATOM 430 N ALA A 29 -7.220 -11.587 -3.628 1.00 0.00 N ATOM 431 CA ALA A 29 -7.253 -10.312 -2.855 1.00 0.00 C ATOM 432 C ALA A 29 -6.049 -9.429 -3.173 1.00 0.00 C ATOM 433 O ALA A 29 -6.194 -8.278 -3.537 1.00 0.00 O ATOM 434 CB ALA A 29 -7.235 -10.634 -1.368 1.00 0.00 C ATOM 0 H ALA A 29 -7.276 -12.435 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.160 -9.774 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.259 -9.707 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.106 -11.239 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.327 -11.187 -1.126 1.00 0.00 H new ATOM 440 N LEU A 30 -4.865 -9.934 -3.009 1.00 0.00 N ATOM 441 CA LEU A 30 -3.669 -9.094 -3.270 1.00 0.00 C ATOM 442 C LEU A 30 -3.731 -8.512 -4.684 1.00 0.00 C ATOM 443 O LEU A 30 -3.264 -7.419 -4.932 1.00 0.00 O ATOM 444 CB LEU A 30 -2.415 -9.952 -3.099 1.00 0.00 C ATOM 445 CG LEU A 30 -2.137 -10.155 -1.595 1.00 0.00 C ATOM 446 CD1 LEU A 30 -1.214 -11.362 -1.402 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.477 -8.886 -0.990 1.00 0.00 C ATOM 0 H LEU A 30 -4.672 -10.889 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.640 -8.265 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.551 -10.916 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.562 -9.469 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.082 -10.334 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.018 -11.504 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.693 -12.254 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.273 -11.188 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.287 -9.045 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.535 -8.687 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.145 -8.034 -1.115 1.00 0.00 H new ATOM 459 N THR A 31 -4.311 -9.216 -5.613 1.00 0.00 N ATOM 460 CA THR A 31 -4.403 -8.676 -6.988 1.00 0.00 C ATOM 461 C THR A 31 -5.315 -7.436 -6.984 1.00 0.00 C ATOM 462 O THR A 31 -5.108 -6.498 -7.731 1.00 0.00 O ATOM 463 CB THR A 31 -4.959 -9.764 -7.914 1.00 0.00 C ATOM 464 OG1 THR A 31 -3.954 -10.742 -8.141 1.00 0.00 O ATOM 465 CG2 THR A 31 -5.382 -9.152 -9.245 1.00 0.00 C ATOM 0 H THR A 31 -4.723 -10.139 -5.477 1.00 0.00 H new ATOM 0 HA THR A 31 -3.418 -8.379 -7.349 1.00 0.00 H new ATOM 0 HB THR A 31 -5.827 -10.227 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.980 -11.410 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.776 -9.933 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.153 -8.401 -9.072 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.520 -8.684 -9.720 1.00 0.00 H new ATOM 473 N LYS A 32 -6.309 -7.408 -6.133 1.00 0.00 N ATOM 474 CA LYS A 32 -7.192 -6.206 -6.089 1.00 0.00 C ATOM 475 C LYS A 32 -6.397 -5.086 -5.428 1.00 0.00 C ATOM 476 O LYS A 32 -6.496 -3.934 -5.797 1.00 0.00 O ATOM 477 CB LYS A 32 -8.502 -6.477 -5.308 1.00 0.00 C ATOM 478 CG LYS A 32 -8.978 -7.928 -5.505 1.00 0.00 C ATOM 479 CD LYS A 32 -9.491 -8.157 -6.952 1.00 0.00 C ATOM 480 CE LYS A 32 -9.091 -9.558 -7.462 1.00 0.00 C ATOM 481 NZ LYS A 32 -10.076 -10.002 -8.487 1.00 0.00 N ATOM 0 H LYS A 32 -6.544 -8.153 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.490 -5.932 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.342 -6.285 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.278 -5.788 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.158 -8.615 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.773 -8.153 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.576 -8.052 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.080 -7.394 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.089 -9.531 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.065 -10.266 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.813 -10.946 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.025 -10.042 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.079 -9.329 -9.280 1.00 0.00 H new ATOM 495 N MET A 33 -5.580 -5.427 -4.463 1.00 0.00 N ATOM 496 CA MET A 33 -4.750 -4.390 -3.799 1.00 0.00 C ATOM 497 C MET A 33 -3.896 -3.724 -4.877 1.00 0.00 C ATOM 498 O MET A 33 -3.713 -2.536 -4.878 1.00 0.00 O ATOM 499 CB MET A 33 -3.844 -5.050 -2.746 1.00 0.00 C ATOM 500 CG MET A 33 -4.526 -5.102 -1.361 1.00 0.00 C ATOM 501 SD MET A 33 -3.246 -5.239 -0.082 1.00 0.00 S ATOM 502 CE MET A 33 -3.912 -6.650 0.836 1.00 0.00 C ATOM 0 H MET A 33 -5.456 -6.376 -4.111 1.00 0.00 H new ATOM 0 HA MET A 33 -5.378 -3.652 -3.300 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.591 -6.061 -3.066 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.909 -4.495 -2.671 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.124 -4.205 -1.201 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.206 -5.952 -1.307 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.136 -7.064 1.480 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.754 -6.323 1.446 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.248 -7.414 0.135 1.00 0.00 H new ATOM 512 N ARG A 34 -3.381 -4.477 -5.811 1.00 0.00 N ATOM 513 CA ARG A 34 -2.568 -3.847 -6.892 1.00 0.00 C ATOM 514 C ARG A 34 -3.390 -2.705 -7.492 1.00 0.00 C ATOM 515 O ARG A 34 -2.919 -1.601 -7.684 1.00 0.00 O ATOM 516 CB ARG A 34 -2.288 -4.907 -7.981 1.00 0.00 C ATOM 517 CG ARG A 34 -0.812 -5.341 -7.989 1.00 0.00 C ATOM 518 CD ARG A 34 -0.551 -6.335 -6.854 1.00 0.00 C ATOM 519 NE ARG A 34 -0.754 -5.677 -5.529 1.00 0.00 N ATOM 520 CZ ARG A 34 0.093 -4.782 -5.091 1.00 0.00 C ATOM 521 NH1 ARG A 34 1.084 -4.382 -5.843 1.00 0.00 N ATOM 522 NH2 ARG A 34 -0.061 -4.279 -3.897 1.00 0.00 N ATOM 0 H ARG A 34 -3.486 -5.490 -5.873 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.624 -3.468 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.922 -5.777 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.554 -4.503 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.564 -5.798 -8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.168 -4.469 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.221 -7.190 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.467 -6.718 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.562 -5.928 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.202 -4.768 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.740 -3.684 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.838 -4.584 -3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.596 -3.581 -3.549 1.00 0.00 H new ATOM 536 N ALA A 35 -4.622 -2.982 -7.792 1.00 0.00 N ATOM 537 CA ALA A 35 -5.493 -1.932 -8.379 1.00 0.00 C ATOM 538 C ALA A 35 -5.786 -0.874 -7.314 1.00 0.00 C ATOM 539 O ALA A 35 -5.550 0.299 -7.510 1.00 0.00 O ATOM 540 CB ALA A 35 -6.792 -2.574 -8.867 1.00 0.00 C ATOM 0 H ALA A 35 -5.066 -3.891 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.996 -1.456 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.436 -1.808 -9.299 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.565 -3.326 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.302 -3.046 -8.027 1.00 0.00 H new ATOM 546 N ALA A 36 -6.288 -1.288 -6.183 1.00 0.00 N ATOM 547 CA ALA A 36 -6.590 -0.320 -5.090 1.00 0.00 C ATOM 548 C ALA A 36 -5.279 0.314 -4.587 1.00 0.00 C ATOM 549 O ALA A 36 -5.287 1.333 -3.927 1.00 0.00 O ATOM 550 CB ALA A 36 -7.285 -1.076 -3.943 1.00 0.00 C ATOM 0 H ALA A 36 -6.503 -2.261 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.244 0.471 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.513 -0.381 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.210 -1.522 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.625 -1.860 -3.572 1.00 0.00 H new ATOM 556 N ALA A 37 -4.159 -0.300 -4.876 1.00 0.00 N ATOM 557 CA ALA A 37 -2.849 0.242 -4.399 1.00 0.00 C ATOM 558 C ALA A 37 -2.525 1.565 -5.095 1.00 0.00 C ATOM 559 O ALA A 37 -2.570 2.621 -4.493 1.00 0.00 O ATOM 560 CB ALA A 37 -1.740 -0.776 -4.681 1.00 0.00 C ATOM 0 H ALA A 37 -4.095 -1.158 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.916 0.423 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.786 -0.380 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.959 -1.707 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.685 -0.966 -5.753 1.00 0.00 H new ATOM 566 N LEU A 38 -2.171 1.525 -6.351 1.00 0.00 N ATOM 567 CA LEU A 38 -1.820 2.802 -7.037 1.00 0.00 C ATOM 568 C LEU A 38 -3.045 3.701 -7.124 1.00 0.00 C ATOM 569 O LEU A 38 -2.931 4.911 -7.200 1.00 0.00 O ATOM 570 CB LEU A 38 -1.296 2.562 -8.452 1.00 0.00 C ATOM 571 CG LEU A 38 0.024 1.731 -8.431 1.00 0.00 C ATOM 572 CD1 LEU A 38 -0.101 0.500 -9.339 1.00 0.00 C ATOM 573 CD2 LEU A 38 1.194 2.592 -8.933 1.00 0.00 C ATOM 0 H LEU A 38 -2.110 0.682 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.036 3.277 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.050 2.037 -9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.119 3.518 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 38 0.207 1.411 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.829 -0.068 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.920 -0.128 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.301 0.821 -10.361 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.112 2.004 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.993 2.920 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.308 3.463 -8.287 1.00 0.00 H new ATOM 585 N ASP A 39 -4.222 3.140 -7.099 1.00 0.00 N ATOM 586 CA ASP A 39 -5.420 4.008 -7.165 1.00 0.00 C ATOM 587 C ASP A 39 -5.382 4.877 -5.924 1.00 0.00 C ATOM 588 O ASP A 39 -5.679 6.056 -5.961 1.00 0.00 O ATOM 589 CB ASP A 39 -6.694 3.161 -7.182 1.00 0.00 C ATOM 590 CG ASP A 39 -7.878 4.036 -7.592 1.00 0.00 C ATOM 591 OD1 ASP A 39 -7.787 4.671 -8.629 1.00 0.00 O ATOM 592 OD2 ASP A 39 -8.855 4.056 -6.862 1.00 0.00 O ATOM 0 H ASP A 39 -4.401 2.138 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.421 4.611 -8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.583 2.330 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.870 2.729 -6.197 1.00 0.00 H new ATOM 597 N ALA A 40 -4.963 4.311 -4.828 1.00 0.00 N ATOM 598 CA ALA A 40 -4.843 5.117 -3.598 1.00 0.00 C ATOM 599 C ALA A 40 -3.847 6.242 -3.889 1.00 0.00 C ATOM 600 O ALA A 40 -3.961 7.334 -3.370 1.00 0.00 O ATOM 601 CB ALA A 40 -4.357 4.245 -2.438 1.00 0.00 C ATOM 0 H ALA A 40 -4.701 3.329 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.809 5.532 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.273 4.852 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.069 3.438 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.382 3.823 -2.683 1.00 0.00 H new ATOM 607 N GLN A 41 -2.880 5.993 -4.754 1.00 0.00 N ATOM 608 CA GLN A 41 -1.904 7.073 -5.106 1.00 0.00 C ATOM 609 C GLN A 41 -2.721 8.312 -5.479 1.00 0.00 C ATOM 610 O GLN A 41 -2.395 9.428 -5.129 1.00 0.00 O ATOM 611 CB GLN A 41 -1.037 6.645 -6.319 1.00 0.00 C ATOM 612 CG GLN A 41 0.294 7.424 -6.328 1.00 0.00 C ATOM 613 CD GLN A 41 0.015 8.917 -6.157 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.790 9.518 -6.991 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 0.532 9.544 -5.253 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.730 5.099 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.238 7.272 -4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.839 5.574 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.580 6.829 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.940 7.070 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.824 7.248 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.161 9.075 -4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.337 10.539 -5.146 1.00 0.00 H new ATOM 624 N LYS A 42 -3.794 8.093 -6.192 1.00 0.00 N ATOM 625 CA LYS A 42 -4.676 9.222 -6.610 1.00 0.00 C ATOM 626 C LYS A 42 -5.776 9.432 -5.560 1.00 0.00 C ATOM 627 O LYS A 42 -6.703 10.190 -5.767 1.00 0.00 O ATOM 628 CB LYS A 42 -5.325 8.883 -7.958 1.00 0.00 C ATOM 629 CG LYS A 42 -4.265 8.854 -9.071 1.00 0.00 C ATOM 630 CD LYS A 42 -4.096 10.268 -9.661 1.00 0.00 C ATOM 631 CE LYS A 42 -2.747 10.383 -10.364 1.00 0.00 C ATOM 632 NZ LYS A 42 -2.771 9.585 -11.622 1.00 0.00 N ATOM 0 H LYS A 42 -4.100 7.172 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.082 10.132 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.823 7.915 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.091 9.621 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.314 8.499 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.563 8.156 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.901 10.475 -10.366 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.167 11.013 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.530 11.427 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.952 10.025 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.857 9.677 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.943 8.585 -11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.530 9.935 -12.241 1.00 0.00 H new ATOM 646 N ALA A 43 -5.687 8.767 -4.439 1.00 0.00 N ATOM 647 CA ALA A 43 -6.729 8.928 -3.385 1.00 0.00 C ATOM 648 C ALA A 43 -6.187 8.360 -2.075 1.00 0.00 C ATOM 649 O ALA A 43 -6.304 7.182 -1.807 1.00 0.00 O ATOM 650 CB ALA A 43 -7.982 8.157 -3.791 1.00 0.00 C ATOM 0 H ALA A 43 -4.935 8.118 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.978 9.982 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.746 8.273 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.358 8.546 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.738 7.101 -3.904 1.00 0.00 H new ATOM 656 N THR A 44 -5.578 9.182 -1.264 1.00 0.00 N ATOM 657 CA THR A 44 -4.999 8.692 0.027 1.00 0.00 C ATOM 658 C THR A 44 -5.436 9.643 1.154 1.00 0.00 C ATOM 659 O THR A 44 -5.731 10.793 0.903 1.00 0.00 O ATOM 660 CB THR A 44 -3.466 8.668 -0.137 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.830 8.663 1.128 1.00 0.00 O ATOM 662 CG2 THR A 44 -3.006 9.896 -0.943 1.00 0.00 C ATOM 0 H THR A 44 -5.454 10.179 -1.439 1.00 0.00 H new ATOM 0 HA THR A 44 -5.347 7.691 0.281 1.00 0.00 H new ATOM 0 HB THR A 44 -3.190 7.759 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.858 8.646 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.922 9.873 -1.055 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.473 9.881 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.297 10.806 -0.418 1.00 0.00 H new ATOM 670 N PRO A 45 -5.512 9.175 2.382 1.00 0.00 N ATOM 671 CA PRO A 45 -5.955 10.012 3.531 1.00 0.00 C ATOM 672 C PRO A 45 -5.546 11.493 3.428 1.00 0.00 C ATOM 673 O PRO A 45 -6.334 12.359 3.752 1.00 0.00 O ATOM 674 CB PRO A 45 -5.327 9.305 4.736 1.00 0.00 C ATOM 675 CG PRO A 45 -5.380 7.858 4.363 1.00 0.00 C ATOM 676 CD PRO A 45 -5.188 7.802 2.835 1.00 0.00 C ATOM 0 HA PRO A 45 -7.041 10.081 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.303 9.638 4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.884 9.503 5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.599 7.295 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.333 7.416 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.167 7.525 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.847 7.065 2.377 1.00 0.00 H new ATOM 684 N PRO A 46 -4.352 11.814 2.980 1.00 0.00 N ATOM 685 CA PRO A 46 -3.899 13.214 2.844 1.00 0.00 C ATOM 686 C PRO A 46 -4.059 13.714 1.404 1.00 0.00 C ATOM 687 O PRO A 46 -3.605 14.785 1.056 1.00 0.00 O ATOM 688 CB PRO A 46 -2.410 13.122 3.245 1.00 0.00 C ATOM 689 CG PRO A 46 -2.051 11.653 3.132 1.00 0.00 C ATOM 690 CD PRO A 46 -3.268 10.939 2.548 1.00 0.00 C ATOM 0 HA PRO A 46 -4.470 13.917 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.788 13.730 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.253 13.488 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.180 11.517 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.795 11.242 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.214 10.858 1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.377 9.927 2.939 1.00 0.00 H new ATOM 698 N LYS A 47 -4.690 12.926 0.567 1.00 0.00 N ATOM 699 CA LYS A 47 -4.875 13.311 -0.864 1.00 0.00 C ATOM 700 C LYS A 47 -3.579 13.932 -1.393 1.00 0.00 C ATOM 701 O LYS A 47 -3.602 14.659 -2.358 1.00 0.00 O ATOM 702 CB LYS A 47 -6.045 14.324 -1.031 1.00 0.00 C ATOM 703 CG LYS A 47 -6.979 14.318 0.204 1.00 0.00 C ATOM 704 CD LYS A 47 -6.522 15.360 1.277 1.00 0.00 C ATOM 705 CE LYS A 47 -7.655 16.358 1.563 1.00 0.00 C ATOM 706 NZ LYS A 47 -8.828 15.631 2.124 1.00 0.00 N ATOM 0 H LYS A 47 -5.089 12.022 0.820 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.121 12.414 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.642 15.326 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.619 14.076 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.999 14.541 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.992 13.322 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.239 14.847 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.639 15.893 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.315 17.119 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.939 16.875 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.392 16.281 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.415 15.267 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.497 14.838 2.709 1.00 0.00 H new ATOM 720 N LEU A 48 -2.463 13.660 -0.741 1.00 0.00 N ATOM 721 CA LEU A 48 -1.146 14.251 -1.157 1.00 0.00 C ATOM 722 C LEU A 48 -1.371 15.708 -1.588 1.00 0.00 C ATOM 723 O LEU A 48 -1.216 16.618 -0.797 1.00 0.00 O ATOM 724 CB LEU A 48 -0.526 13.406 -2.293 1.00 0.00 C ATOM 725 CG LEU A 48 0.977 13.724 -2.496 1.00 0.00 C ATOM 726 CD1 LEU A 48 1.172 15.183 -2.930 1.00 0.00 C ATOM 727 CD2 LEU A 48 1.773 13.461 -1.203 1.00 0.00 C ATOM 0 H LEU A 48 -2.412 13.045 0.071 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.444 14.241 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.645 12.347 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.065 13.594 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 48 1.350 13.067 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.235 15.383 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.647 15.357 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.773 15.847 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.825 13.691 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.386 14.092 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.672 12.413 -0.920 1.00 0.00 H new ATOM 739 N GLU A 49 -1.779 15.947 -2.804 1.00 0.00 N ATOM 740 CA GLU A 49 -2.051 17.349 -3.213 1.00 0.00 C ATOM 741 C GLU A 49 -3.264 17.840 -2.421 1.00 0.00 C ATOM 742 O GLU A 49 -4.396 17.647 -2.815 1.00 0.00 O ATOM 743 CB GLU A 49 -2.381 17.425 -4.703 1.00 0.00 C ATOM 744 CG GLU A 49 -1.290 16.734 -5.528 1.00 0.00 C ATOM 745 CD GLU A 49 -1.443 15.213 -5.423 1.00 0.00 C ATOM 746 OE1 GLU A 49 -2.552 14.761 -5.186 1.00 0.00 O ATOM 747 OE2 GLU A 49 -0.448 14.525 -5.580 1.00 0.00 O ATOM 0 H GLU A 49 -1.934 15.240 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.170 17.960 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.344 16.952 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.472 18.467 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.359 17.044 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.305 17.035 -5.170 1.00 0.00 H new ATOM 754 N ASP A 50 -3.035 18.465 -1.304 1.00 0.00 N ATOM 755 CA ASP A 50 -4.173 18.966 -0.470 1.00 0.00 C ATOM 756 C ASP A 50 -4.461 20.416 -0.857 1.00 0.00 C ATOM 757 O ASP A 50 -5.422 21.018 -0.422 1.00 0.00 O ATOM 758 CB ASP A 50 -3.780 18.905 1.007 1.00 0.00 C ATOM 759 CG ASP A 50 -4.875 19.558 1.852 1.00 0.00 C ATOM 760 OD1 ASP A 50 -5.963 19.008 1.900 1.00 0.00 O ATOM 761 OD2 ASP A 50 -4.607 20.596 2.435 1.00 0.00 O ATOM 0 H ASP A 50 -2.107 18.654 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.058 18.352 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.638 17.869 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.831 19.417 1.163 1.00 0.00 H new ATOM 766 N LYS A 51 -3.620 20.969 -1.681 1.00 0.00 N ATOM 767 CA LYS A 51 -3.796 22.373 -2.136 1.00 0.00 C ATOM 768 C LYS A 51 -2.840 22.604 -3.305 1.00 0.00 C ATOM 769 O LYS A 51 -3.243 22.689 -4.449 1.00 0.00 O ATOM 770 CB LYS A 51 -3.481 23.343 -0.984 1.00 0.00 C ATOM 771 CG LYS A 51 -2.103 23.014 -0.341 1.00 0.00 C ATOM 772 CD LYS A 51 -2.201 23.078 1.191 1.00 0.00 C ATOM 773 CE LYS A 51 -0.849 22.708 1.809 1.00 0.00 C ATOM 774 NZ LYS A 51 0.208 23.616 1.279 1.00 0.00 N ATOM 0 H LYS A 51 -2.802 20.497 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.825 22.550 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.477 24.367 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.263 23.282 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.778 22.021 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.351 23.720 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.494 24.080 1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.973 22.395 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.900 22.788 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.603 21.672 1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.021 23.618 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.513 23.284 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.172 24.581 1.197 1.00 0.00 H new ATOM 788 N SER A 52 -1.568 22.675 -3.025 1.00 0.00 N ATOM 789 CA SER A 52 -0.573 22.863 -4.098 1.00 0.00 C ATOM 790 C SER A 52 0.836 22.831 -3.485 1.00 0.00 C ATOM 791 O SER A 52 1.531 23.828 -3.466 1.00 0.00 O ATOM 792 CB SER A 52 -0.832 24.204 -4.785 1.00 0.00 C ATOM 793 OG SER A 52 -1.814 24.029 -5.798 1.00 0.00 O ATOM 0 H SER A 52 -1.179 22.609 -2.084 1.00 0.00 H new ATOM 0 HA SER A 52 -0.653 22.066 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.172 24.940 -4.056 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.091 24.588 -5.219 1.00 0.00 H new ATOM 0 HG SER A 52 -2.668 23.780 -5.386 1.00 0.00 H new ATOM 799 N PRO A 53 1.257 21.687 -2.994 1.00 0.00 N ATOM 800 CA PRO A 53 2.609 21.522 -2.376 1.00 0.00 C ATOM 801 C PRO A 53 3.728 21.824 -3.376 1.00 0.00 C ATOM 802 O PRO A 53 4.411 22.825 -3.285 1.00 0.00 O ATOM 803 CB PRO A 53 2.645 20.035 -1.946 1.00 0.00 C ATOM 804 CG PRO A 53 1.212 19.615 -1.887 1.00 0.00 C ATOM 805 CD PRO A 53 0.498 20.424 -2.966 1.00 0.00 C ATOM 0 HA PRO A 53 2.767 22.210 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.204 19.431 -2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.132 19.916 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.110 18.545 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.786 19.813 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.522 19.918 -3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.551 20.589 -2.718 1.00 0.00 H new ATOM 813 N ASP A 54 3.919 20.949 -4.321 1.00 0.00 N ATOM 814 CA ASP A 54 4.988 21.140 -5.336 1.00 0.00 C ATOM 815 C ASP A 54 4.458 20.684 -6.702 1.00 0.00 C ATOM 816 O ASP A 54 4.303 21.481 -7.605 1.00 0.00 O ATOM 817 CB ASP A 54 6.197 20.297 -4.915 1.00 0.00 C ATOM 818 CG ASP A 54 6.372 20.400 -3.397 1.00 0.00 C ATOM 819 OD1 ASP A 54 6.571 21.503 -2.914 1.00 0.00 O ATOM 820 OD2 ASP A 54 6.300 19.372 -2.742 1.00 0.00 O ATOM 0 H ASP A 54 3.371 20.096 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 54 5.284 22.187 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.051 19.257 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.096 20.648 -5.422 1.00 0.00 H new ATOM 825 N SER A 55 4.175 19.403 -6.823 1.00 0.00 N ATOM 826 CA SER A 55 3.632 18.779 -8.082 1.00 0.00 C ATOM 827 C SER A 55 4.690 17.857 -8.728 1.00 0.00 C ATOM 828 O SER A 55 4.362 16.749 -9.099 1.00 0.00 O ATOM 829 CB SER A 55 3.058 19.804 -9.087 1.00 0.00 C ATOM 830 OG SER A 55 4.090 20.440 -9.821 1.00 0.00 O ATOM 0 H SER A 55 4.305 18.734 -6.064 1.00 0.00 H new ATOM 0 HA SER A 55 2.777 18.170 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.377 19.301 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.475 20.553 -8.552 1.00 0.00 H new ATOM 0 HG SER A 55 4.341 21.276 -9.375 1.00 0.00 H new ATOM 836 N PRO A 56 5.956 18.235 -8.823 1.00 0.00 N ATOM 837 CA PRO A 56 6.986 17.312 -9.382 1.00 0.00 C ATOM 838 C PRO A 56 7.133 16.093 -8.463 1.00 0.00 C ATOM 839 O PRO A 56 7.374 14.985 -8.901 1.00 0.00 O ATOM 840 CB PRO A 56 8.289 18.142 -9.394 1.00 0.00 C ATOM 841 CG PRO A 56 7.852 19.563 -9.250 1.00 0.00 C ATOM 842 CD PRO A 56 6.559 19.524 -8.441 1.00 0.00 C ATOM 0 HA PRO A 56 6.730 16.941 -10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.950 17.849 -8.578 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.842 17.993 -10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.613 20.156 -8.742 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.689 20.022 -10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.754 19.575 -7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.906 20.362 -8.686 1.00 0.00 H new ATOM 850 N GLU A 57 6.979 16.318 -7.183 1.00 0.00 N ATOM 851 CA GLU A 57 7.092 15.211 -6.193 1.00 0.00 C ATOM 852 C GLU A 57 6.020 14.162 -6.499 1.00 0.00 C ATOM 853 O GLU A 57 6.319 13.095 -6.980 1.00 0.00 O ATOM 854 CB GLU A 57 6.874 15.779 -4.785 1.00 0.00 C ATOM 855 CG GLU A 57 7.304 14.755 -3.725 1.00 0.00 C ATOM 856 CD GLU A 57 8.814 14.507 -3.813 1.00 0.00 C ATOM 857 OE1 GLU A 57 9.495 15.314 -4.424 1.00 0.00 O ATOM 858 OE2 GLU A 57 9.260 13.509 -3.273 1.00 0.00 O ATOM 0 H GLU A 57 6.778 17.233 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 57 8.078 14.751 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.445 16.699 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.824 16.036 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.045 15.119 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.765 13.819 -3.873 1.00 0.00 H new ATOM 865 N MET A 58 4.776 14.489 -6.233 1.00 0.00 N ATOM 866 CA MET A 58 3.613 13.573 -6.509 1.00 0.00 C ATOM 867 C MET A 58 4.048 12.128 -6.819 1.00 0.00 C ATOM 868 O MET A 58 4.024 11.272 -5.964 1.00 0.00 O ATOM 869 CB MET A 58 2.819 14.149 -7.684 1.00 0.00 C ATOM 870 CG MET A 58 1.725 13.164 -8.124 1.00 0.00 C ATOM 871 SD MET A 58 0.614 13.984 -9.301 1.00 0.00 S ATOM 872 CE MET A 58 1.265 13.239 -10.817 1.00 0.00 C ATOM 0 H MET A 58 4.508 15.383 -5.822 1.00 0.00 H new ATOM 0 HA MET A 58 2.999 13.520 -5.610 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.368 15.099 -7.396 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.489 14.355 -8.518 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.176 12.285 -8.584 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.163 12.817 -7.257 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.710 13.617 -11.676 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.319 13.496 -10.925 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.159 12.155 -10.764 1.00 0.00 H new ATOM 882 N LYS A 59 4.430 11.844 -8.043 1.00 0.00 N ATOM 883 CA LYS A 59 4.838 10.445 -8.381 1.00 0.00 C ATOM 884 C LYS A 59 5.860 9.968 -7.351 1.00 0.00 C ATOM 885 O LYS A 59 5.807 8.851 -6.874 1.00 0.00 O ATOM 886 CB LYS A 59 5.442 10.383 -9.798 1.00 0.00 C ATOM 887 CG LYS A 59 5.218 8.974 -10.424 1.00 0.00 C ATOM 888 CD LYS A 59 4.031 9.011 -11.397 1.00 0.00 C ATOM 889 CE LYS A 59 3.760 7.603 -11.930 1.00 0.00 C ATOM 890 NZ LYS A 59 2.426 7.575 -12.594 1.00 0.00 N ATOM 0 H LYS A 59 4.476 12.512 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 59 3.962 9.797 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.984 11.145 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.509 10.603 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.118 8.653 -10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.030 8.244 -9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.145 9.396 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.246 9.688 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.537 7.314 -12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.788 6.881 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.239 6.619 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.690 7.834 -11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.416 8.253 -13.383 1.00 0.00 H new ATOM 904 N ASP A 60 6.772 10.816 -6.969 1.00 0.00 N ATOM 905 CA ASP A 60 7.753 10.411 -5.938 1.00 0.00 C ATOM 906 C ASP A 60 6.946 9.940 -4.736 1.00 0.00 C ATOM 907 O ASP A 60 7.299 8.991 -4.058 1.00 0.00 O ATOM 908 CB ASP A 60 8.630 11.601 -5.551 1.00 0.00 C ATOM 909 CG ASP A 60 9.514 11.994 -6.736 1.00 0.00 C ATOM 910 OD1 ASP A 60 8.967 12.328 -7.774 1.00 0.00 O ATOM 911 OD2 ASP A 60 10.724 11.954 -6.585 1.00 0.00 O ATOM 0 H ASP A 60 6.877 11.766 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 60 8.410 9.622 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.006 12.444 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.249 11.345 -4.691 1.00 0.00 H new ATOM 916 N PHE A 61 5.814 10.559 -4.494 1.00 0.00 N ATOM 917 CA PHE A 61 4.973 10.076 -3.369 1.00 0.00 C ATOM 918 C PHE A 61 4.712 8.595 -3.642 1.00 0.00 C ATOM 919 O PHE A 61 4.731 7.773 -2.747 1.00 0.00 O ATOM 920 CB PHE A 61 3.665 10.882 -3.257 1.00 0.00 C ATOM 921 CG PHE A 61 3.033 10.640 -1.897 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.730 10.966 -0.719 1.00 0.00 C ATOM 923 CD2 PHE A 61 1.746 10.091 -1.814 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.137 10.740 0.528 1.00 0.00 C ATOM 925 CE2 PHE A 61 1.162 9.867 -0.566 1.00 0.00 C ATOM 926 CZ PHE A 61 1.855 10.190 0.604 1.00 0.00 C ATOM 0 H PHE A 61 5.449 11.356 -5.015 1.00 0.00 H new ATOM 0 HA PHE A 61 5.476 10.210 -2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.868 11.944 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.975 10.587 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.722 11.390 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.206 9.841 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.671 10.991 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.171 9.442 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.399 10.014 1.567 1.00 0.00 H new ATOM 936 N ARG A 62 4.550 8.233 -4.900 1.00 0.00 N ATOM 937 CA ARG A 62 4.389 6.793 -5.239 1.00 0.00 C ATOM 938 C ARG A 62 5.555 6.058 -4.580 1.00 0.00 C ATOM 939 O ARG A 62 5.415 4.961 -4.109 1.00 0.00 O ATOM 940 CB ARG A 62 4.447 6.598 -6.770 1.00 0.00 C ATOM 941 CG ARG A 62 3.676 5.320 -7.168 1.00 0.00 C ATOM 942 CD ARG A 62 4.164 4.753 -8.526 1.00 0.00 C ATOM 943 NE ARG A 62 4.723 3.389 -8.308 1.00 0.00 N ATOM 944 CZ ARG A 62 4.940 2.601 -9.325 1.00 0.00 C ATOM 945 NH1 ARG A 62 4.688 3.010 -10.537 1.00 0.00 N ATOM 946 NH2 ARG A 62 5.412 1.401 -9.128 1.00 0.00 N ATOM 0 H ARG A 62 4.524 8.874 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 62 3.430 6.413 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.016 7.464 -7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.484 6.524 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.800 4.564 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.611 5.542 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.338 4.713 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.923 5.407 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 62 4.936 3.071 -7.363 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.320 3.949 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.859 2.391 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.611 1.080 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.582 0.783 -9.922 1.00 0.00 H new ATOM 960 N HIS A 63 6.704 6.681 -4.508 1.00 0.00 N ATOM 961 CA HIS A 63 7.853 6.009 -3.832 1.00 0.00 C ATOM 962 C HIS A 63 7.382 5.589 -2.440 1.00 0.00 C ATOM 963 O HIS A 63 7.757 4.557 -1.925 1.00 0.00 O ATOM 964 CB HIS A 63 9.043 6.976 -3.714 1.00 0.00 C ATOM 965 CG HIS A 63 10.304 6.199 -3.432 1.00 0.00 C ATOM 966 ND1 HIS A 63 10.774 5.212 -4.287 1.00 0.00 N ATOM 967 CD2 HIS A 63 11.208 6.259 -2.399 1.00 0.00 C ATOM 968 CE1 HIS A 63 11.913 4.725 -3.758 1.00 0.00 C ATOM 969 NE2 HIS A 63 12.222 5.328 -2.609 1.00 0.00 N ATOM 0 H HIS A 63 6.894 7.611 -4.882 1.00 0.00 H new ATOM 0 HA HIS A 63 8.180 5.143 -4.408 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.154 7.545 -4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.862 7.695 -2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.142 6.927 -1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.504 3.942 -4.209 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.029 5.146 -2.012 1.00 0.00 H new ATOM 977 N GLY A 64 6.531 6.379 -1.842 1.00 0.00 N ATOM 978 CA GLY A 64 5.995 6.022 -0.493 1.00 0.00 C ATOM 979 C GLY A 64 5.074 4.802 -0.634 1.00 0.00 C ATOM 980 O GLY A 64 5.214 3.819 0.064 1.00 0.00 O ATOM 0 H GLY A 64 6.183 7.257 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.814 5.800 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.445 6.863 -0.071 1.00 0.00 H new ATOM 984 N PHE A 65 4.140 4.864 -1.549 1.00 0.00 N ATOM 985 CA PHE A 65 3.204 3.720 -1.767 1.00 0.00 C ATOM 986 C PHE A 65 3.966 2.579 -2.448 1.00 0.00 C ATOM 987 O PHE A 65 3.862 1.430 -2.074 1.00 0.00 O ATOM 988 CB PHE A 65 2.087 4.183 -2.727 1.00 0.00 C ATOM 989 CG PHE A 65 0.841 4.573 -1.978 1.00 0.00 C ATOM 990 CD1 PHE A 65 -0.124 3.608 -1.686 1.00 0.00 C ATOM 991 CD2 PHE A 65 0.636 5.903 -1.612 1.00 0.00 C ATOM 992 CE1 PHE A 65 -1.300 3.972 -1.021 1.00 0.00 C ATOM 993 CE2 PHE A 65 -0.537 6.271 -0.957 1.00 0.00 C ATOM 994 CZ PHE A 65 -1.508 5.308 -0.661 1.00 0.00 C ATOM 0 H PHE A 65 3.985 5.666 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 65 2.790 3.388 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.439 5.031 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.855 3.382 -3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.037 2.580 -1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.386 6.647 -1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.044 3.225 -0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.697 7.302 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.418 5.596 -0.155 1.00 0.00 H new ATOM 1004 N ASP A 66 4.709 2.900 -3.464 1.00 0.00 N ATOM 1005 CA ASP A 66 5.454 1.862 -4.216 1.00 0.00 C ATOM 1006 C ASP A 66 6.163 0.935 -3.226 1.00 0.00 C ATOM 1007 O ASP A 66 6.126 -0.273 -3.352 1.00 0.00 O ATOM 1008 CB ASP A 66 6.493 2.533 -5.118 1.00 0.00 C ATOM 1009 CG ASP A 66 7.085 1.499 -6.076 1.00 0.00 C ATOM 1010 OD1 ASP A 66 6.314 0.825 -6.742 1.00 0.00 O ATOM 1011 OD2 ASP A 66 8.299 1.397 -6.131 1.00 0.00 O ATOM 0 H ASP A 66 4.833 3.852 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 66 4.761 1.285 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.031 3.343 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.283 2.977 -4.512 1.00 0.00 H new ATOM 1016 N ILE A 67 6.793 1.495 -2.230 1.00 0.00 N ATOM 1017 CA ILE A 67 7.486 0.661 -1.219 1.00 0.00 C ATOM 1018 C ILE A 67 6.466 -0.232 -0.509 1.00 0.00 C ATOM 1019 O ILE A 67 6.496 -1.441 -0.630 1.00 0.00 O ATOM 1020 CB ILE A 67 8.149 1.598 -0.213 1.00 0.00 C ATOM 1021 CG1 ILE A 67 9.246 2.417 -0.939 1.00 0.00 C ATOM 1022 CG2 ILE A 67 8.737 0.788 0.951 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.600 1.696 -0.886 1.00 0.00 C ATOM 0 H ILE A 67 6.855 2.501 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 67 8.235 0.026 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 67 7.412 2.286 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.957 2.578 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.336 3.400 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.208 1.465 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.940 0.234 1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.481 0.089 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.351 2.293 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.898 1.558 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.514 0.723 -1.370 1.00 0.00 H new ATOM 1035 N LEU A 68 5.563 0.350 0.235 1.00 0.00 N ATOM 1036 CA LEU A 68 4.550 -0.476 0.948 1.00 0.00 C ATOM 1037 C LEU A 68 3.796 -1.345 -0.075 1.00 0.00 C ATOM 1038 O LEU A 68 3.536 -2.507 0.162 1.00 0.00 O ATOM 1039 CB LEU A 68 3.610 0.448 1.763 1.00 0.00 C ATOM 1040 CG LEU A 68 2.392 0.926 0.946 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.319 -0.189 0.809 1.00 0.00 C ATOM 1042 CD2 LEU A 68 1.786 2.164 1.652 1.00 0.00 C ATOM 0 H LEU A 68 5.484 1.357 0.378 1.00 0.00 H new ATOM 0 HA LEU A 68 5.028 -1.151 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.262 -0.084 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.172 1.315 2.112 1.00 0.00 H new ATOM 0 HG LEU A 68 2.720 1.182 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.477 0.186 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.753 -1.052 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.973 -0.485 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.922 2.518 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.475 1.892 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.534 2.955 1.704 1.00 0.00 H new ATOM 1054 N VAL A 69 3.471 -0.803 -1.219 1.00 0.00 N ATOM 1055 CA VAL A 69 2.770 -1.604 -2.264 1.00 0.00 C ATOM 1056 C VAL A 69 3.714 -2.689 -2.818 1.00 0.00 C ATOM 1057 O VAL A 69 3.280 -3.661 -3.405 1.00 0.00 O ATOM 1058 CB VAL A 69 2.344 -0.654 -3.396 1.00 0.00 C ATOM 1059 CG1 VAL A 69 1.805 -1.451 -4.580 1.00 0.00 C ATOM 1060 CG2 VAL A 69 1.248 0.289 -2.891 1.00 0.00 C ATOM 0 H VAL A 69 3.662 0.166 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 69 1.895 -2.093 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 69 3.213 -0.078 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.507 -0.766 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.581 -2.121 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.942 -2.036 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.948 0.961 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.387 -0.295 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.628 0.873 -2.053 1.00 0.00 H new ATOM 1070 N GLY A 70 5.002 -2.509 -2.670 1.00 0.00 N ATOM 1071 CA GLY A 70 5.983 -3.499 -3.224 1.00 0.00 C ATOM 1072 C GLY A 70 6.013 -4.797 -2.415 1.00 0.00 C ATOM 1073 O GLY A 70 5.936 -5.877 -2.970 1.00 0.00 O ATOM 0 H GLY A 70 5.421 -1.715 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.725 -3.724 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.979 -3.055 -3.233 1.00 0.00 H new ATOM 1077 N GLN A 71 6.150 -4.725 -1.123 1.00 0.00 N ATOM 1078 CA GLN A 71 6.214 -5.983 -0.327 1.00 0.00 C ATOM 1079 C GLN A 71 4.841 -6.644 -0.285 1.00 0.00 C ATOM 1080 O GLN A 71 4.726 -7.848 -0.177 1.00 0.00 O ATOM 1081 CB GLN A 71 6.698 -5.672 1.096 1.00 0.00 C ATOM 1082 CG GLN A 71 5.766 -4.643 1.770 1.00 0.00 C ATOM 1083 CD GLN A 71 4.586 -5.351 2.441 1.00 0.00 C ATOM 1084 OE1 GLN A 71 3.769 -4.720 3.077 1.00 0.00 O ATOM 1085 NE2 GLN A 71 4.466 -6.641 2.324 1.00 0.00 N ATOM 0 H GLN A 71 6.220 -3.860 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 71 6.918 -6.670 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.725 -6.588 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.716 -5.283 1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.323 -4.069 2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.399 -3.934 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.154 -7.171 1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.684 -7.123 2.768 1.00 0.00 H new ATOM 1094 N ILE A 72 3.800 -5.875 -0.371 1.00 0.00 N ATOM 1095 CA ILE A 72 2.447 -6.466 -0.338 1.00 0.00 C ATOM 1096 C ILE A 72 2.309 -7.460 -1.488 1.00 0.00 C ATOM 1097 O ILE A 72 2.007 -8.619 -1.285 1.00 0.00 O ATOM 1098 CB ILE A 72 1.456 -5.323 -0.501 1.00 0.00 C ATOM 1099 CG1 ILE A 72 1.520 -4.429 0.757 1.00 0.00 C ATOM 1100 CG2 ILE A 72 0.045 -5.868 -0.724 1.00 0.00 C ATOM 1101 CD1 ILE A 72 0.601 -4.958 1.862 1.00 0.00 C ATOM 0 H ILE A 72 3.830 -4.860 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 72 2.262 -6.995 0.597 1.00 0.00 H new ATOM 0 HB ILE A 72 1.715 -4.727 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.546 -4.386 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.231 -3.411 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.652 -5.038 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.030 -6.481 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.251 -6.474 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.668 -4.307 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.428 -4.977 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.907 -5.967 2.138 1.00 0.00 H new ATOM 1113 N ASP A 73 2.553 -7.026 -2.692 1.00 0.00 N ATOM 1114 CA ASP A 73 2.459 -7.963 -3.840 1.00 0.00 C ATOM 1115 C ASP A 73 3.463 -9.083 -3.628 1.00 0.00 C ATOM 1116 O ASP A 73 3.208 -10.221 -3.938 1.00 0.00 O ATOM 1117 CB ASP A 73 2.793 -7.233 -5.137 1.00 0.00 C ATOM 1118 CG ASP A 73 4.190 -6.619 -5.043 1.00 0.00 C ATOM 1119 OD1 ASP A 73 5.146 -7.374 -4.982 1.00 0.00 O ATOM 1120 OD2 ASP A 73 4.280 -5.403 -5.038 1.00 0.00 O ATOM 0 H ASP A 73 2.812 -6.068 -2.928 1.00 0.00 H new ATOM 0 HA ASP A 73 1.447 -8.362 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.747 -7.926 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.055 -6.453 -5.326 1.00 0.00 H new ATOM 1125 N ASP A 74 4.613 -8.788 -3.101 1.00 0.00 N ATOM 1126 CA ASP A 74 5.584 -9.882 -2.906 1.00 0.00 C ATOM 1127 C ASP A 74 4.953 -10.913 -1.982 1.00 0.00 C ATOM 1128 O ASP A 74 5.321 -12.070 -1.985 1.00 0.00 O ATOM 1129 CB ASP A 74 6.884 -9.340 -2.332 1.00 0.00 C ATOM 1130 CG ASP A 74 7.892 -10.481 -2.193 1.00 0.00 C ATOM 1131 OD1 ASP A 74 8.042 -11.232 -3.144 1.00 0.00 O ATOM 1132 OD2 ASP A 74 8.497 -10.586 -1.139 1.00 0.00 O ATOM 0 H ASP A 74 4.915 -7.860 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 74 5.828 -10.352 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.285 -8.563 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.702 -8.880 -1.361 1.00 0.00 H new ATOM 1137 N ALA A 75 3.952 -10.524 -1.241 1.00 0.00 N ATOM 1138 CA ALA A 75 3.262 -11.525 -0.400 1.00 0.00 C ATOM 1139 C ALA A 75 2.477 -12.392 -1.380 1.00 0.00 C ATOM 1140 O ALA A 75 2.350 -13.590 -1.232 1.00 0.00 O ATOM 1141 CB ALA A 75 2.314 -10.850 0.585 1.00 0.00 C ATOM 0 H ALA A 75 3.591 -9.572 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 75 3.967 -12.106 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.819 -11.608 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.879 -10.179 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.565 -10.279 0.036 1.00 0.00 H new ATOM 1147 N LEU A 76 1.996 -11.755 -2.421 1.00 0.00 N ATOM 1148 CA LEU A 76 1.257 -12.466 -3.501 1.00 0.00 C ATOM 1149 C LEU A 76 2.209 -13.517 -4.064 1.00 0.00 C ATOM 1150 O LEU A 76 1.851 -14.649 -4.321 1.00 0.00 O ATOM 1151 CB LEU A 76 0.898 -11.424 -4.581 1.00 0.00 C ATOM 1152 CG LEU A 76 -0.280 -11.889 -5.436 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -0.724 -10.743 -6.361 1.00 0.00 C ATOM 1154 CD2 LEU A 76 0.124 -13.106 -6.275 1.00 0.00 C ATOM 0 H LEU A 76 2.089 -10.750 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 76 0.343 -12.944 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.652 -10.475 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.764 -11.246 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.106 -12.172 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.564 -11.073 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.027 -9.886 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.105 -10.456 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.723 -13.428 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.955 -12.838 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.428 -13.918 -5.615 1.00 0.00 H new ATOM 1166 N LYS A 77 3.438 -13.131 -4.222 1.00 0.00 N ATOM 1167 CA LYS A 77 4.478 -14.050 -4.736 1.00 0.00 C ATOM 1168 C LYS A 77 4.641 -15.226 -3.770 1.00 0.00 C ATOM 1169 O LYS A 77 4.695 -16.379 -4.158 1.00 0.00 O ATOM 1170 CB LYS A 77 5.775 -13.241 -4.810 1.00 0.00 C ATOM 1171 CG LYS A 77 6.771 -13.872 -5.773 1.00 0.00 C ATOM 1172 CD LYS A 77 8.076 -13.038 -5.770 1.00 0.00 C ATOM 1173 CE LYS A 77 9.024 -13.538 -4.671 1.00 0.00 C ATOM 1174 NZ LYS A 77 9.748 -14.747 -5.154 1.00 0.00 N ATOM 0 H LYS A 77 3.772 -12.191 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 77 4.214 -14.451 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.553 -12.223 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.220 -13.173 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.981 -14.900 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.351 -13.909 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.564 -13.110 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.843 -11.986 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.736 -12.756 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.460 -13.775 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.391 -15.087 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.062 -15.493 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.298 -14.506 -6.003 1.00 0.00 H new ATOM 1188 N LEU A 78 4.716 -14.927 -2.513 1.00 0.00 N ATOM 1189 CA LEU A 78 4.877 -15.969 -1.482 1.00 0.00 C ATOM 1190 C LEU A 78 3.646 -16.893 -1.486 1.00 0.00 C ATOM 1191 O LEU A 78 3.767 -18.098 -1.556 1.00 0.00 O ATOM 1192 CB LEU A 78 5.001 -15.224 -0.152 1.00 0.00 C ATOM 1193 CG LEU A 78 6.464 -15.170 0.318 1.00 0.00 C ATOM 1194 CD1 LEU A 78 7.294 -14.309 -0.640 1.00 0.00 C ATOM 1195 CD2 LEU A 78 6.509 -14.556 1.712 1.00 0.00 C ATOM 0 H LEU A 78 4.671 -13.975 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 78 5.751 -16.596 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.613 -14.211 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.391 -15.719 0.604 1.00 0.00 H new ATOM 0 HG LEU A 78 6.877 -16.179 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.328 -14.278 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.256 -14.739 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.889 -13.297 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.542 -14.512 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.094 -13.549 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.923 -15.168 2.398 1.00 0.00 H new ATOM 1207 N ALA A 79 2.469 -16.337 -1.406 1.00 0.00 N ATOM 1208 CA ALA A 79 1.241 -17.181 -1.403 1.00 0.00 C ATOM 1209 C ALA A 79 1.327 -18.210 -2.537 1.00 0.00 C ATOM 1210 O ALA A 79 0.931 -19.348 -2.378 1.00 0.00 O ATOM 1211 CB ALA A 79 0.006 -16.295 -1.597 1.00 0.00 C ATOM 0 H ALA A 79 2.304 -15.332 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 79 1.159 -17.702 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.891 -16.915 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.052 -15.569 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.081 -15.770 -2.549 1.00 0.00 H new ATOM 1217 N ASN A 80 1.860 -17.838 -3.674 1.00 0.00 N ATOM 1218 CA ASN A 80 1.978 -18.834 -4.779 1.00 0.00 C ATOM 1219 C ASN A 80 2.934 -19.929 -4.313 1.00 0.00 C ATOM 1220 O ASN A 80 2.864 -21.063 -4.744 1.00 0.00 O ATOM 1221 CB ASN A 80 2.534 -18.171 -6.047 1.00 0.00 C ATOM 1222 CG ASN A 80 1.932 -16.777 -6.225 1.00 0.00 C ATOM 1223 OD1 ASN A 80 0.675 -16.563 -5.943 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 2.619 -15.865 -6.639 1.00 0.00 N flip ATOM 0 H ASN A 80 2.213 -16.904 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 80 0.997 -19.246 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.620 -18.100 -5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.306 -18.787 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.601 -16.027 -6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.214 -14.938 -6.765 1.00 0.00 H new ATOM 1231 N GLU A 81 3.819 -19.589 -3.415 1.00 0.00 N ATOM 1232 CA GLU A 81 4.783 -20.594 -2.886 1.00 0.00 C ATOM 1233 C GLU A 81 4.110 -21.343 -1.730 1.00 0.00 C ATOM 1234 O GLU A 81 4.715 -22.161 -1.064 1.00 0.00 O ATOM 1235 CB GLU A 81 6.041 -19.871 -2.380 1.00 0.00 C ATOM 1236 CG GLU A 81 7.215 -20.854 -2.303 1.00 0.00 C ATOM 1237 CD GLU A 81 7.736 -21.142 -3.714 1.00 0.00 C ATOM 1238 OE1 GLU A 81 7.663 -20.252 -4.546 1.00 0.00 O ATOM 1239 OE2 GLU A 81 8.198 -22.247 -3.938 1.00 0.00 O ATOM 0 H GLU A 81 3.915 -18.652 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 81 5.070 -21.298 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.290 -19.046 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.852 -19.440 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.012 -20.437 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.896 -21.781 -1.826 1.00 0.00 H new ATOM 1246 N GLY A 82 2.847 -21.080 -1.506 1.00 0.00 N ATOM 1247 CA GLY A 82 2.105 -21.783 -0.413 1.00 0.00 C ATOM 1248 C GLY A 82 2.291 -21.065 0.931 1.00 0.00 C ATOM 1249 O GLY A 82 2.381 -21.696 1.965 1.00 0.00 O ATOM 0 H GLY A 82 2.295 -20.405 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.044 -21.829 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.459 -22.811 -0.332 1.00 0.00 H new ATOM 1253 N LYS A 83 2.334 -19.756 0.935 1.00 0.00 N ATOM 1254 CA LYS A 83 2.495 -19.009 2.222 1.00 0.00 C ATOM 1255 C LYS A 83 1.129 -18.556 2.713 1.00 0.00 C ATOM 1256 O LYS A 83 0.839 -17.383 2.809 1.00 0.00 O ATOM 1257 CB LYS A 83 3.369 -17.780 1.979 1.00 0.00 C ATOM 1258 CG LYS A 83 4.808 -18.167 1.554 1.00 0.00 C ATOM 1259 CD LYS A 83 5.317 -19.431 2.263 1.00 0.00 C ATOM 1260 CE LYS A 83 6.809 -19.607 1.971 1.00 0.00 C ATOM 1261 NZ LYS A 83 7.559 -18.411 2.447 1.00 0.00 N ATOM 0 H LYS A 83 2.265 -19.171 0.102 1.00 0.00 H new ATOM 0 HA LYS A 83 2.959 -19.655 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.916 -17.160 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.408 -17.178 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.834 -18.325 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.482 -17.338 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.152 -19.351 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.762 -20.304 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.183 -20.503 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.966 -19.745 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.454 -18.713 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.760 -17.784 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.987 -17.900 3.150 1.00 0.00 H new ATOM 1275 N VAL A 84 0.297 -19.491 3.024 1.00 0.00 N ATOM 1276 CA VAL A 84 -1.065 -19.152 3.515 1.00 0.00 C ATOM 1277 C VAL A 84 -0.983 -18.326 4.807 1.00 0.00 C ATOM 1278 O VAL A 84 -1.566 -17.264 4.909 1.00 0.00 O ATOM 1279 CB VAL A 84 -1.831 -20.446 3.787 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -3.231 -20.111 4.303 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -1.945 -21.248 2.489 1.00 0.00 C ATOM 0 H VAL A 84 0.497 -20.489 2.961 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.580 -18.562 2.757 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.300 -21.034 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.778 -21.034 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.151 -19.536 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.764 -19.524 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.491 -22.172 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.478 -20.659 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.948 -21.485 2.119 1.00 0.00 H new ATOM 1291 N LYS A 85 -0.275 -18.805 5.796 1.00 0.00 N ATOM 1292 CA LYS A 85 -0.169 -18.054 7.080 1.00 0.00 C ATOM 1293 C LYS A 85 0.729 -16.827 6.893 1.00 0.00 C ATOM 1294 O LYS A 85 0.381 -15.722 7.256 1.00 0.00 O ATOM 1295 CB LYS A 85 0.416 -18.979 8.175 1.00 0.00 C ATOM 1296 CG LYS A 85 1.254 -20.124 7.553 1.00 0.00 C ATOM 1297 CD LYS A 85 2.374 -20.537 8.520 1.00 0.00 C ATOM 1298 CE LYS A 85 2.873 -21.939 8.169 1.00 0.00 C ATOM 1299 NZ LYS A 85 1.841 -22.946 8.550 1.00 0.00 N ATOM 0 H LYS A 85 0.236 -19.687 5.769 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.161 -17.721 7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.039 -18.396 8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.394 -19.400 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.614 -20.979 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.682 -19.799 6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.196 -19.824 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.006 -20.519 9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.083 -22.005 7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.807 -22.145 8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.298 -23.865 8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.357 -22.637 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.147 -23.040 7.781 1.00 0.00 H new ATOM 1313 N GLU A 86 1.886 -17.026 6.343 1.00 0.00 N ATOM 1314 CA GLU A 86 2.833 -15.903 6.133 1.00 0.00 C ATOM 1315 C GLU A 86 2.140 -14.818 5.298 1.00 0.00 C ATOM 1316 O GLU A 86 2.203 -13.646 5.615 1.00 0.00 O ATOM 1317 CB GLU A 86 4.071 -16.470 5.398 1.00 0.00 C ATOM 1318 CG GLU A 86 5.282 -16.579 6.338 1.00 0.00 C ATOM 1319 CD GLU A 86 6.560 -16.756 5.514 1.00 0.00 C ATOM 1320 OE1 GLU A 86 6.817 -15.915 4.668 1.00 0.00 O ATOM 1321 OE2 GLU A 86 7.264 -17.726 5.748 1.00 0.00 O ATOM 0 H GLU A 86 2.223 -17.934 6.024 1.00 0.00 H new ATOM 0 HA GLU A 86 3.145 -15.455 7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.835 -17.453 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.321 -15.827 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.357 -15.684 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.154 -17.424 7.015 1.00 0.00 H new ATOM 1328 N ALA A 87 1.471 -15.195 4.243 1.00 0.00 N ATOM 1329 CA ALA A 87 0.771 -14.174 3.411 1.00 0.00 C ATOM 1330 C ALA A 87 -0.299 -13.493 4.266 1.00 0.00 C ATOM 1331 O ALA A 87 -0.446 -12.287 4.249 1.00 0.00 O ATOM 1332 CB ALA A 87 0.107 -14.849 2.210 1.00 0.00 C ATOM 0 H ALA A 87 1.379 -16.159 3.922 1.00 0.00 H new ATOM 0 HA ALA A 87 1.490 -13.437 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.403 -14.098 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.866 -15.346 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.617 -15.585 2.560 1.00 0.00 H new ATOM 1338 N GLN A 88 -1.038 -14.255 5.027 1.00 0.00 N ATOM 1339 CA GLN A 88 -2.085 -13.640 5.893 1.00 0.00 C ATOM 1340 C GLN A 88 -1.390 -12.740 6.921 1.00 0.00 C ATOM 1341 O GLN A 88 -1.845 -11.653 7.216 1.00 0.00 O ATOM 1342 CB GLN A 88 -2.891 -14.743 6.609 1.00 0.00 C ATOM 1343 CG GLN A 88 -4.105 -15.124 5.761 1.00 0.00 C ATOM 1344 CD GLN A 88 -4.812 -16.330 6.381 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -5.729 -16.140 7.287 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -4.524 -17.460 6.036 1.00 0.00 N flip ATOM 0 H GLN A 88 -0.963 -15.270 5.087 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.775 -13.051 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.262 -15.617 6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.215 -14.393 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.793 -14.281 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.791 -15.358 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.806 -17.609 5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.000 -18.258 6.456 1.00 0.00 H new ATOM 1355 N ALA A 89 -0.283 -13.179 7.453 1.00 0.00 N ATOM 1356 CA ALA A 89 0.446 -12.338 8.442 1.00 0.00 C ATOM 1357 C ALA A 89 0.840 -11.033 7.750 1.00 0.00 C ATOM 1358 O ALA A 89 0.734 -9.952 8.305 1.00 0.00 O ATOM 1359 CB ALA A 89 1.704 -13.071 8.916 1.00 0.00 C ATOM 0 H ALA A 89 0.147 -14.081 7.246 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.186 -12.135 9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.235 -12.452 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.421 -14.014 9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.353 -13.269 8.063 1.00 0.00 H new ATOM 1365 N ALA A 90 1.271 -11.127 6.525 1.00 0.00 N ATOM 1366 CA ALA A 90 1.647 -9.898 5.786 1.00 0.00 C ATOM 1367 C ALA A 90 0.399 -9.031 5.656 1.00 0.00 C ATOM 1368 O ALA A 90 0.467 -7.834 5.507 1.00 0.00 O ATOM 1369 CB ALA A 90 2.168 -10.276 4.397 1.00 0.00 C ATOM 0 H ALA A 90 1.378 -11.999 6.007 1.00 0.00 H new ATOM 0 HA ALA A 90 2.430 -9.355 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.444 -9.372 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.042 -10.920 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.389 -10.805 3.848 1.00 0.00 H new ATOM 1375 N ALA A 91 -0.751 -9.631 5.732 1.00 0.00 N ATOM 1376 CA ALA A 91 -1.996 -8.833 5.633 1.00 0.00 C ATOM 1377 C ALA A 91 -2.044 -7.861 6.820 1.00 0.00 C ATOM 1378 O ALA A 91 -2.229 -6.674 6.659 1.00 0.00 O ATOM 1379 CB ALA A 91 -3.207 -9.779 5.655 1.00 0.00 C ATOM 0 H ALA A 91 -0.882 -10.635 5.858 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.019 -8.266 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.125 -9.196 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.146 -10.467 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.209 -10.345 6.586 1.00 0.00 H new ATOM 1385 N GLU A 92 -1.871 -8.362 8.012 1.00 0.00 N ATOM 1386 CA GLU A 92 -1.907 -7.480 9.211 1.00 0.00 C ATOM 1387 C GLU A 92 -0.797 -6.425 9.137 1.00 0.00 C ATOM 1388 O GLU A 92 -0.808 -5.463 9.880 1.00 0.00 O ATOM 1389 CB GLU A 92 -1.737 -8.350 10.475 1.00 0.00 C ATOM 1390 CG GLU A 92 -3.118 -8.776 11.015 1.00 0.00 C ATOM 1391 CD GLU A 92 -2.996 -10.092 11.792 1.00 0.00 C ATOM 1392 OE1 GLU A 92 -2.236 -10.125 12.745 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -3.664 -11.043 11.418 1.00 0.00 O ATOM 0 H GLU A 92 -1.705 -9.349 8.207 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.863 -6.959 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.141 -9.232 10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.195 -7.793 11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.520 -7.997 11.664 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.819 -8.896 10.189 1.00 0.00 H new ATOM 1400 N GLN A 93 0.154 -6.567 8.253 1.00 0.00 N ATOM 1401 CA GLN A 93 1.221 -5.537 8.169 1.00 0.00 C ATOM 1402 C GLN A 93 0.657 -4.337 7.409 1.00 0.00 C ATOM 1403 O GLN A 93 0.972 -3.203 7.703 1.00 0.00 O ATOM 1404 CB GLN A 93 2.480 -6.162 7.512 1.00 0.00 C ATOM 1405 CG GLN A 93 2.530 -5.979 5.976 1.00 0.00 C ATOM 1406 CD GLN A 93 3.325 -4.728 5.635 1.00 0.00 C ATOM 1407 OE1 GLN A 93 2.720 -3.596 5.698 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 4.498 -4.789 5.325 1.00 0.00 N flip ATOM 0 H GLN A 93 0.236 -7.342 7.595 1.00 0.00 H new ATOM 0 HA GLN A 93 1.535 -5.183 9.151 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.371 -5.714 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.511 -7.227 7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.989 -6.851 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.519 -5.899 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.967 -5.694 5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.014 -3.936 5.111 1.00 0.00 H new ATOM 1417 N LEU A 94 -0.213 -4.576 6.464 1.00 0.00 N ATOM 1418 CA LEU A 94 -0.837 -3.439 5.718 1.00 0.00 C ATOM 1419 C LEU A 94 -1.747 -2.655 6.675 1.00 0.00 C ATOM 1420 O LEU A 94 -1.785 -1.441 6.669 1.00 0.00 O ATOM 1421 CB LEU A 94 -1.670 -3.975 4.548 1.00 0.00 C ATOM 1422 CG LEU A 94 -2.256 -2.806 3.724 1.00 0.00 C ATOM 1423 CD1 LEU A 94 -1.117 -1.933 3.149 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -3.146 -3.358 2.575 1.00 0.00 C ATOM 0 H LEU A 94 -0.519 -5.505 6.176 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.055 -2.787 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.049 -4.603 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.477 -4.603 4.925 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.871 -2.187 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.543 -1.113 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.520 -1.528 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.483 -2.541 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.555 -2.527 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.546 -3.991 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.963 -3.944 2.997 1.00 0.00 H new ATOM 1436 N LYS A 95 -2.484 -3.353 7.495 1.00 0.00 N ATOM 1437 CA LYS A 95 -3.397 -2.676 8.458 1.00 0.00 C ATOM 1438 C LYS A 95 -2.594 -1.709 9.338 1.00 0.00 C ATOM 1439 O LYS A 95 -2.728 -0.494 9.258 1.00 0.00 O ATOM 1440 CB LYS A 95 -4.065 -3.748 9.338 1.00 0.00 C ATOM 1441 CG LYS A 95 -5.065 -4.566 8.495 1.00 0.00 C ATOM 1442 CD LYS A 95 -5.355 -5.962 9.145 1.00 0.00 C ATOM 1443 CE LYS A 95 -6.863 -6.162 9.374 1.00 0.00 C ATOM 1444 NZ LYS A 95 -7.079 -7.317 10.293 1.00 0.00 N ATOM 0 H LYS A 95 -2.492 -4.372 7.539 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.158 -2.112 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.308 -4.407 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.581 -3.276 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.997 -4.010 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.666 -4.707 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.974 -6.754 8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.826 -6.042 10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.300 -5.259 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.365 -6.341 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.099 -7.452 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.676 -8.177 9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.613 -7.128 11.203 1.00 0.00 H new ATOM 1458 N THR A 96 -1.763 -2.241 10.189 1.00 0.00 N ATOM 1459 CA THR A 96 -0.958 -1.373 11.090 1.00 0.00 C ATOM 1460 C THR A 96 -0.003 -0.489 10.276 1.00 0.00 C ATOM 1461 O THR A 96 0.420 0.553 10.739 1.00 0.00 O ATOM 1462 CB THR A 96 -0.164 -2.254 12.068 1.00 0.00 C ATOM 1463 OG1 THR A 96 -0.944 -3.391 12.414 1.00 0.00 O ATOM 1464 CG2 THR A 96 0.170 -1.459 13.335 1.00 0.00 C ATOM 0 H THR A 96 -1.606 -3.243 10.299 1.00 0.00 H new ATOM 0 HA THR A 96 -1.628 -0.722 11.651 1.00 0.00 H new ATOM 0 HB THR A 96 0.764 -2.574 11.593 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.440 -3.956 13.036 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.733 -2.090 14.023 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.769 -0.587 13.070 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.753 -1.133 13.814 1.00 0.00 H new ATOM 1472 N THR A 97 0.348 -0.872 9.073 1.00 0.00 N ATOM 1473 CA THR A 97 1.273 -0.005 8.284 1.00 0.00 C ATOM 1474 C THR A 97 0.715 1.418 8.278 1.00 0.00 C ATOM 1475 O THR A 97 1.302 2.316 8.815 1.00 0.00 O ATOM 1476 CB THR A 97 1.418 -0.529 6.847 1.00 0.00 C ATOM 1477 OG1 THR A 97 2.388 -1.558 6.837 1.00 0.00 O ATOM 1478 CG2 THR A 97 1.869 0.588 5.893 1.00 0.00 C ATOM 0 H THR A 97 0.041 -1.729 8.612 1.00 0.00 H new ATOM 0 HA THR A 97 2.263 -0.015 8.741 1.00 0.00 H new ATOM 0 HB THR A 97 0.450 -0.901 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.952 -2.417 6.659 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.963 0.188 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.132 1.391 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.833 0.979 6.220 1.00 0.00 H new ATOM 1486 N ILE A 98 -0.421 1.623 7.673 1.00 0.00 N ATOM 1487 CA ILE A 98 -1.016 2.986 7.642 1.00 0.00 C ATOM 1488 C ILE A 98 -1.027 3.576 9.055 1.00 0.00 C ATOM 1489 O ILE A 98 -0.595 4.691 9.264 1.00 0.00 O ATOM 1490 CB ILE A 98 -2.447 2.873 7.068 1.00 0.00 C ATOM 1491 CG1 ILE A 98 -2.379 2.697 5.518 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -3.285 4.119 7.424 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -2.499 1.215 5.145 1.00 0.00 C ATOM 0 H ILE A 98 -0.964 0.902 7.197 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.428 3.652 7.011 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.930 2.002 7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.181 3.264 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.439 3.099 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.287 4.014 7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.350 4.216 8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.811 5.008 7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.450 1.107 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.682 0.657 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.451 0.825 5.506 1.00 0.00 H new ATOM 1505 N ARG A 99 -1.516 2.862 10.028 1.00 0.00 N ATOM 1506 CA ARG A 99 -1.540 3.431 11.399 1.00 0.00 C ATOM 1507 C ARG A 99 -0.108 3.735 11.892 1.00 0.00 C ATOM 1508 O ARG A 99 0.168 4.815 12.376 1.00 0.00 O ATOM 1509 CB ARG A 99 -2.216 2.408 12.322 1.00 0.00 C ATOM 1510 CG ARG A 99 -2.963 3.104 13.466 1.00 0.00 C ATOM 1511 CD ARG A 99 -1.990 3.464 14.595 1.00 0.00 C ATOM 1512 NE ARG A 99 -1.393 2.220 15.155 1.00 0.00 N ATOM 1513 CZ ARG A 99 -0.671 2.276 16.242 1.00 0.00 C ATOM 1514 NH1 ARG A 99 -0.481 3.420 16.842 1.00 0.00 N ATOM 1515 NH2 ARG A 99 -0.140 1.188 16.729 1.00 0.00 N ATOM 0 H ARG A 99 -1.896 1.920 9.934 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.093 4.370 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.913 1.799 11.746 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.466 1.732 12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.451 4.006 13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.748 2.451 13.847 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.204 4.118 14.217 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.513 4.013 15.378 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.548 1.325 14.690 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.897 4.270 16.462 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.083 3.463 17.691 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.289 0.294 16.261 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.424 1.231 17.578 1.00 0.00 H new ATOM 1529 N ALA A 100 0.795 2.793 11.798 1.00 0.00 N ATOM 1530 CA ALA A 100 2.191 3.040 12.290 1.00 0.00 C ATOM 1531 C ALA A 100 2.841 4.171 11.489 1.00 0.00 C ATOM 1532 O ALA A 100 3.665 4.913 11.984 1.00 0.00 O ATOM 1533 CB ALA A 100 3.023 1.762 12.141 1.00 0.00 C ATOM 0 H ALA A 100 0.631 1.866 11.404 1.00 0.00 H new ATOM 0 HA ALA A 100 2.150 3.328 13.340 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.036 1.944 12.499 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.569 0.962 12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.056 1.470 11.091 1.00 0.00 H new ATOM 1539 N TYR A 101 2.459 4.305 10.256 1.00 0.00 N ATOM 1540 CA TYR A 101 3.020 5.378 9.396 1.00 0.00 C ATOM 1541 C TYR A 101 2.446 6.700 9.887 1.00 0.00 C ATOM 1542 O TYR A 101 2.798 7.751 9.402 1.00 0.00 O ATOM 1543 CB TYR A 101 2.574 5.129 7.936 1.00 0.00 C ATOM 1544 CG TYR A 101 3.489 4.147 7.227 1.00 0.00 C ATOM 1545 CD1 TYR A 101 4.164 3.149 7.945 1.00 0.00 C ATOM 1546 CD2 TYR A 101 3.652 4.232 5.832 1.00 0.00 C ATOM 1547 CE1 TYR A 101 4.999 2.247 7.277 1.00 0.00 C ATOM 1548 CE2 TYR A 101 4.488 3.326 5.168 1.00 0.00 C ATOM 1549 CZ TYR A 101 5.162 2.335 5.891 1.00 0.00 C ATOM 1550 OH TYR A 101 5.985 1.442 5.235 1.00 0.00 O ATOM 0 H TYR A 101 1.770 3.707 9.799 1.00 0.00 H new ATOM 0 HA TYR A 101 4.109 5.394 9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.554 4.746 7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.564 6.074 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.039 3.077 9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.132 4.996 5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.519 1.481 7.833 1.00 0.00 H new ATOM 0 HE2 TYR A 101 4.613 3.392 4.097 1.00 0.00 H new ATOM 0 HH TYR A 101 5.986 1.642 4.276 1.00 0.00 H new ATOM 1560 N ASN A 102 1.513 6.608 10.811 1.00 0.00 N ATOM 1561 CA ASN A 102 0.790 7.799 11.360 1.00 0.00 C ATOM 1562 C ASN A 102 -0.447 7.935 10.499 1.00 0.00 C ATOM 1563 O ASN A 102 -0.569 8.868 9.730 1.00 0.00 O ATOM 1564 CB ASN A 102 1.614 9.095 11.273 1.00 0.00 C ATOM 1565 CG ASN A 102 0.930 10.172 12.115 1.00 0.00 C ATOM 1566 OD1 ASN A 102 1.312 10.418 13.242 1.00 0.00 O ATOM 1567 ND2 ASN A 102 -0.076 10.829 11.602 1.00 0.00 N ATOM 0 H ASN A 102 1.215 5.722 11.219 1.00 0.00 H new ATOM 0 HA ASN A 102 0.575 7.653 12.419 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.628 8.922 11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.695 9.422 10.236 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -0.544 11.552 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.393 10.619 10.656 1.00 0.00 H new ATOM 1574 N GLN A 103 -1.346 6.978 10.569 1.00 0.00 N ATOM 1575 CA GLN A 103 -2.532 7.019 9.695 1.00 0.00 C ATOM 1576 C GLN A 103 -2.037 7.363 8.289 1.00 0.00 C ATOM 1577 O GLN A 103 -2.486 8.288 7.641 1.00 0.00 O ATOM 1578 CB GLN A 103 -3.502 8.056 10.236 1.00 0.00 C ATOM 1579 CG GLN A 103 -4.527 7.378 11.152 1.00 0.00 C ATOM 1580 CD GLN A 103 -5.474 6.522 10.308 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -5.230 6.357 9.035 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -6.447 5.998 10.811 1.00 0.00 N flip ATOM 0 H GLN A 103 -1.297 6.177 11.198 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.062 6.067 9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.959 8.823 10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.011 8.556 9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.018 6.758 11.890 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.092 8.130 11.703 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.639 6.126 11.805 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.073 5.430 10.240 1.00 0.00 H new ATOM 1591 N LYS A 104 -1.087 6.584 7.860 1.00 0.00 N ATOM 1592 CA LYS A 104 -0.458 6.732 6.539 1.00 0.00 C ATOM 1593 C LYS A 104 0.235 8.098 6.450 1.00 0.00 C ATOM 1594 O LYS A 104 1.409 8.197 6.744 1.00 0.00 O ATOM 1595 CB LYS A 104 -1.535 6.484 5.481 1.00 0.00 C ATOM 1596 CG LYS A 104 -1.103 6.977 4.099 1.00 0.00 C ATOM 1597 CD LYS A 104 0.313 6.458 3.792 1.00 0.00 C ATOM 1598 CE LYS A 104 0.579 6.552 2.289 1.00 0.00 C ATOM 1599 NZ LYS A 104 2.041 6.407 2.035 1.00 0.00 N ATOM 0 H LYS A 104 -0.708 5.812 8.409 1.00 0.00 H new ATOM 0 HA LYS A 104 0.333 6.002 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.757 5.418 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.455 6.989 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.803 6.627 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.118 8.066 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.052 7.043 4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.413 5.425 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.028 5.773 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.225 7.509 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.224 6.471 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.556 7.165 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.365 5.484 2.388 1.00 0.00 H new ATOM 1613 N TYR A 105 -0.440 9.144 6.074 1.00 0.00 N ATOM 1614 CA TYR A 105 0.246 10.483 6.002 1.00 0.00 C ATOM 1615 C TYR A 105 -0.756 11.578 6.394 1.00 0.00 C ATOM 1616 O TYR A 105 -0.544 12.746 6.137 1.00 0.00 O ATOM 1617 CB TYR A 105 0.786 10.728 4.563 1.00 0.00 C ATOM 1618 CG TYR A 105 2.301 10.833 4.555 1.00 0.00 C ATOM 1619 CD1 TYR A 105 3.086 9.686 4.707 1.00 0.00 C ATOM 1620 CD2 TYR A 105 2.915 12.083 4.392 1.00 0.00 C ATOM 1621 CE1 TYR A 105 4.482 9.786 4.697 1.00 0.00 C ATOM 1622 CE2 TYR A 105 4.310 12.183 4.382 1.00 0.00 C ATOM 1623 CZ TYR A 105 5.095 11.033 4.536 1.00 0.00 C ATOM 1624 OH TYR A 105 6.470 11.133 4.526 1.00 0.00 O ATOM 0 H TYR A 105 -1.426 9.142 5.814 1.00 0.00 H new ATOM 0 HA TYR A 105 1.090 10.503 6.691 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.472 9.913 3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 105 0.353 11.644 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 105 2.615 8.722 4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.310 12.970 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.087 8.899 4.814 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.782 13.146 4.256 1.00 0.00 H new ATOM 0 HH TYR A 105 6.729 12.070 4.403 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.849 11.205 6.999 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.867 12.222 7.393 1.00 0.00 C ATOM 1636 C GLY A 106 -3.779 11.645 8.479 1.00 0.00 C ATOM 1637 O GLY A 106 -4.389 10.617 8.230 1.00 0.00 O ATOM 1638 OXT GLY A 106 -3.854 12.242 9.541 1.00 0.00 O ATOM 0 H GLY A 106 -2.082 10.241 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.373 13.122 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -3.458 12.514 6.525 1.00 0.00 H new TER 1642 GLY A 106