USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 1 VAL N :NH3+ 154:sc= -1.05 (180deg=-2.57!) USER MOD Single : A 2 THR OG1 : rot -69:sc= -2.07! USER MOD Single : A 4 GLN : amide:sc= -2.99! C(o=-3!,f=-3.2!) USER MOD Single : A 7 ASN : amide:sc= -0.0899 K(o=-0.09,f=-2.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -4.48! (180deg=-6.91!) USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= -0.153 (180deg=-0.455) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.7) USER MOD Single : A 49 SER OG : rot 180:sc= -0.544 USER MOD Single : A 50 ASN : amide:sc= -8.82! C(o=-8.8!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -0.6 K(o=-0.6,f=-1.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -2.64! (180deg=-5.1!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 82 THR OG1 : rot -169:sc= -1.3 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.454 -12.868 0.393 1.00 0.00 N ATOM 2 CA VAL A 1 -0.475 -12.239 1.326 1.00 0.00 C ATOM 3 C VAL A 1 -1.211 -11.397 2.374 1.00 0.00 C ATOM 4 O VAL A 1 -1.491 -10.234 2.161 1.00 0.00 O ATOM 5 CB VAL A 1 0.399 -11.350 0.441 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.354 -12.224 -0.376 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.490 -10.542 -0.507 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.994 -13.051 -0.522 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.791 -13.765 0.797 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.261 -12.227 0.253 1.00 0.00 H new ATOM 0 HA VAL A 1 0.114 -12.978 1.869 1.00 0.00 H new ATOM 0 HB VAL A 1 0.976 -10.669 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.977 -11.590 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.988 -12.800 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.778 -12.905 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.133 -9.908 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.067 -11.222 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.170 -9.919 0.074 1.00 0.00 H new ATOM 19 N THR A 2 -1.524 -11.974 3.503 1.00 0.00 N ATOM 20 CA THR A 2 -2.242 -11.201 4.558 1.00 0.00 C ATOM 21 C THR A 2 -1.532 -11.351 5.906 1.00 0.00 C ATOM 22 O THR A 2 -0.726 -12.238 6.101 1.00 0.00 O ATOM 23 CB THR A 2 -3.637 -11.821 4.628 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.455 -11.044 5.494 1.00 0.00 O ATOM 25 CG2 THR A 2 -3.535 -13.249 5.166 1.00 0.00 C ATOM 0 H THR A 2 -1.315 -12.944 3.740 1.00 0.00 H new ATOM 0 HA THR A 2 -2.276 -10.136 4.329 1.00 0.00 H new ATOM 0 HB THR A 2 -4.078 -11.841 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.141 -11.144 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.530 -13.691 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.907 -13.844 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.095 -13.232 6.163 1.00 0.00 H new ATOM 33 N VAL A 3 -1.841 -10.498 6.843 1.00 0.00 N ATOM 34 CA VAL A 3 -1.198 -10.600 8.183 1.00 0.00 C ATOM 35 C VAL A 3 -1.895 -11.691 8.998 1.00 0.00 C ATOM 36 O VAL A 3 -3.036 -11.551 9.387 1.00 0.00 O ATOM 37 CB VAL A 3 -1.403 -9.230 8.828 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.061 -9.309 10.317 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.492 -8.206 8.149 1.00 0.00 C ATOM 0 H VAL A 3 -2.510 -9.735 6.739 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.141 -10.861 8.126 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.443 -8.926 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.207 -8.331 10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.710 -10.038 10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.021 -9.614 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.638 -7.228 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.548 -8.511 8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.736 -8.148 7.088 1.00 0.00 H new ATOM 49 N GLN A 4 -1.226 -12.781 9.251 1.00 0.00 N ATOM 50 CA GLN A 4 -1.870 -13.876 10.030 1.00 0.00 C ATOM 51 C GLN A 4 -1.245 -13.985 11.422 1.00 0.00 C ATOM 52 O GLN A 4 -0.059 -14.208 11.568 1.00 0.00 O ATOM 53 CB GLN A 4 -1.602 -15.146 9.222 1.00 0.00 C ATOM 54 CG GLN A 4 -2.213 -16.349 9.944 1.00 0.00 C ATOM 55 CD GLN A 4 -1.763 -17.640 9.256 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.607 -18.008 9.324 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.635 -18.349 8.591 1.00 0.00 N ATOM 0 H GLN A 4 -0.267 -12.961 8.954 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.936 -13.701 10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.030 -15.052 8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.529 -15.290 9.097 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.904 -16.355 10.989 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.301 -16.279 9.934 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.606 -18.041 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.346 -19.211 8.129 1.00 0.00 H new ATOM 66 N ASP A 5 -2.040 -13.839 12.446 1.00 0.00 N ATOM 67 CA ASP A 5 -1.503 -13.943 13.832 1.00 0.00 C ATOM 68 C ASP A 5 -1.788 -15.340 14.392 1.00 0.00 C ATOM 69 O ASP A 5 -1.531 -15.623 15.545 1.00 0.00 O ATOM 70 CB ASP A 5 -2.253 -12.878 14.632 1.00 0.00 C ATOM 71 CG ASP A 5 -1.858 -11.489 14.125 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.885 -11.402 13.394 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.535 -10.537 14.476 1.00 0.00 O ATOM 0 H ASP A 5 -3.041 -13.652 12.382 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.424 -13.792 13.875 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.329 -13.022 14.531 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.017 -12.971 15.692 1.00 0.00 H new ATOM 78 N GLY A 6 -2.318 -16.211 13.578 1.00 0.00 N ATOM 79 CA GLY A 6 -2.624 -17.590 14.051 1.00 0.00 C ATOM 80 C GLY A 6 -3.139 -18.425 12.877 1.00 0.00 C ATOM 81 O GLY A 6 -2.660 -18.313 11.766 1.00 0.00 O ATOM 0 H GLY A 6 -2.553 -16.026 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.730 -18.049 14.474 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.371 -17.557 14.844 1.00 0.00 H new ATOM 85 N ASN A 7 -4.111 -19.263 13.112 1.00 0.00 N ATOM 86 CA ASN A 7 -4.654 -20.104 12.006 1.00 0.00 C ATOM 87 C ASN A 7 -5.628 -19.291 11.147 1.00 0.00 C ATOM 88 O ASN A 7 -6.191 -19.788 10.193 1.00 0.00 O ATOM 89 CB ASN A 7 -5.384 -21.252 12.703 1.00 0.00 C ATOM 90 CG ASN A 7 -5.568 -22.410 11.721 1.00 0.00 C ATOM 91 OD1 ASN A 7 -4.992 -22.413 10.651 1.00 0.00 O ATOM 92 ND2 ASN A 7 -6.354 -23.402 12.041 1.00 0.00 N ATOM 0 H ASN A 7 -4.553 -19.402 14.021 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.870 -20.463 11.340 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.816 -21.585 13.572 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.354 -20.913 13.067 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.484 -24.179 11.393 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.838 -23.400 12.939 1.00 0.00 H new ATOM 99 N PHE A 8 -5.834 -18.045 11.480 1.00 0.00 N ATOM 100 CA PHE A 8 -6.778 -17.209 10.681 1.00 0.00 C ATOM 101 C PHE A 8 -6.019 -16.104 9.940 1.00 0.00 C ATOM 102 O PHE A 8 -5.128 -15.479 10.479 1.00 0.00 O ATOM 103 CB PHE A 8 -7.734 -16.605 11.710 1.00 0.00 C ATOM 104 CG PHE A 8 -8.474 -17.714 12.418 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.918 -18.312 13.555 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.714 -18.147 11.935 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.604 -19.341 14.211 1.00 0.00 C ATOM 108 CE2 PHE A 8 -10.400 -19.176 12.589 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.845 -19.774 13.728 1.00 0.00 C ATOM 0 H PHE A 8 -5.392 -17.571 12.267 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.303 -17.791 9.924 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.178 -16.005 12.431 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.441 -15.937 11.218 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.960 -17.980 13.926 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.142 -17.686 11.057 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.176 -19.801 15.090 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.357 -19.509 12.216 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.374 -20.569 14.233 1.00 0.00 H new ATOM 119 N SER A 9 -6.369 -15.861 8.706 1.00 0.00 N ATOM 120 CA SER A 9 -5.674 -14.796 7.925 1.00 0.00 C ATOM 121 C SER A 9 -6.375 -13.450 8.129 1.00 0.00 C ATOM 122 O SER A 9 -7.575 -13.338 7.979 1.00 0.00 O ATOM 123 CB SER A 9 -5.784 -15.243 6.467 1.00 0.00 C ATOM 124 OG SER A 9 -5.033 -16.434 6.279 1.00 0.00 O ATOM 0 H SER A 9 -7.107 -16.354 8.204 1.00 0.00 H new ATOM 0 HA SER A 9 -4.637 -14.664 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.828 -15.414 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.414 -14.459 5.806 1.00 0.00 H new ATOM 0 HG SER A 9 -5.104 -16.722 5.345 1.00 0.00 H new ATOM 130 N PHE A 10 -5.638 -12.431 8.477 1.00 0.00 N ATOM 131 CA PHE A 10 -6.268 -11.096 8.697 1.00 0.00 C ATOM 132 C PHE A 10 -5.828 -10.111 7.612 1.00 0.00 C ATOM 133 O PHE A 10 -4.658 -9.815 7.468 1.00 0.00 O ATOM 134 CB PHE A 10 -5.761 -10.637 10.065 1.00 0.00 C ATOM 135 CG PHE A 10 -6.281 -11.561 11.139 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.606 -11.449 11.573 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.438 -12.527 11.702 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.089 -12.304 12.571 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.922 -13.381 12.700 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.247 -13.270 13.134 1.00 0.00 C ATOM 0 H PHE A 10 -4.628 -12.464 8.619 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.356 -11.148 8.657 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.671 -10.629 10.075 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.089 -9.616 10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.256 -10.704 11.139 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.415 -12.613 11.366 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.112 -12.218 12.907 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.272 -14.126 13.135 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.620 -13.930 13.903 1.00 0.00 H new ATOM 150 N SER A 11 -6.754 -9.595 6.849 1.00 0.00 N ATOM 151 CA SER A 11 -6.383 -8.625 5.779 1.00 0.00 C ATOM 152 C SER A 11 -5.951 -7.296 6.406 1.00 0.00 C ATOM 153 O SER A 11 -6.131 -7.067 7.585 1.00 0.00 O ATOM 154 CB SER A 11 -7.654 -8.443 4.949 1.00 0.00 C ATOM 155 OG SER A 11 -8.603 -7.693 5.693 1.00 0.00 O ATOM 0 H SER A 11 -7.750 -9.803 6.920 1.00 0.00 H new ATOM 0 HA SER A 11 -5.550 -8.976 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.421 -7.931 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.070 -9.415 4.684 1.00 0.00 H new ATOM 0 HG SER A 11 -9.417 -7.575 5.160 1.00 0.00 H new ATOM 161 N LEU A 12 -5.376 -6.419 5.628 1.00 0.00 N ATOM 162 CA LEU A 12 -4.929 -5.111 6.188 1.00 0.00 C ATOM 163 C LEU A 12 -5.954 -4.016 5.873 1.00 0.00 C ATOM 164 O LEU A 12 -5.757 -2.860 6.191 1.00 0.00 O ATOM 165 CB LEU A 12 -3.599 -4.819 5.493 1.00 0.00 C ATOM 166 CG LEU A 12 -2.642 -5.991 5.717 1.00 0.00 C ATOM 167 CD1 LEU A 12 -1.284 -5.673 5.084 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.460 -6.222 7.218 1.00 0.00 C ATOM 0 H LEU A 12 -5.197 -6.551 4.633 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.826 -5.141 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.760 -4.665 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.165 -3.900 5.886 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.056 -6.888 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.603 -6.509 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.411 -5.509 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.870 -4.775 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.778 -7.057 7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.047 -5.324 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.425 -6.450 7.671 1.00 0.00 H new ATOM 180 N GLU A 13 -7.044 -4.370 5.248 1.00 0.00 N ATOM 181 CA GLU A 13 -8.076 -3.347 4.912 1.00 0.00 C ATOM 182 C GLU A 13 -8.882 -2.968 6.159 1.00 0.00 C ATOM 183 O GLU A 13 -8.752 -1.879 6.682 1.00 0.00 O ATOM 184 CB GLU A 13 -8.975 -4.015 3.871 1.00 0.00 C ATOM 185 CG GLU A 13 -9.940 -2.981 3.290 1.00 0.00 C ATOM 186 CD GLU A 13 -10.880 -3.663 2.294 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.830 -4.880 2.201 1.00 0.00 O ATOM 188 OE2 GLU A 13 -11.633 -2.959 1.642 1.00 0.00 O ATOM 0 H GLU A 13 -7.265 -5.322 4.956 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.632 -2.426 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.368 -4.449 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.533 -4.832 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.516 -2.516 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.383 -2.186 2.795 1.00 0.00 H new ATOM 195 N SER A 14 -9.716 -3.851 6.641 1.00 0.00 N ATOM 196 CA SER A 14 -10.526 -3.524 7.852 1.00 0.00 C ATOM 197 C SER A 14 -9.662 -2.804 8.889 1.00 0.00 C ATOM 198 O SER A 14 -10.029 -1.766 9.406 1.00 0.00 O ATOM 199 CB SER A 14 -10.995 -4.871 8.403 1.00 0.00 C ATOM 200 OG SER A 14 -11.488 -5.676 7.343 1.00 0.00 O ATOM 0 H SER A 14 -9.871 -4.781 6.251 1.00 0.00 H new ATOM 0 HA SER A 14 -11.362 -2.867 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.170 -5.377 8.903 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.775 -4.718 9.149 1.00 0.00 H new ATOM 0 HG SER A 14 -11.786 -6.539 7.699 1.00 0.00 H new ATOM 206 N VAL A 15 -8.511 -3.339 9.191 1.00 0.00 N ATOM 207 CA VAL A 15 -7.632 -2.671 10.190 1.00 0.00 C ATOM 208 C VAL A 15 -7.294 -1.255 9.720 1.00 0.00 C ATOM 209 O VAL A 15 -7.428 -0.300 10.459 1.00 0.00 O ATOM 210 CB VAL A 15 -6.381 -3.543 10.279 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.727 -4.827 11.039 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.882 -3.893 8.875 1.00 0.00 C ATOM 0 H VAL A 15 -8.144 -4.203 8.792 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.109 -2.571 11.165 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.595 -3.000 10.803 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.841 -5.458 11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.073 -4.575 12.041 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.514 -5.363 10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.990 -4.515 8.950 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.659 -4.437 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.641 -2.977 8.336 1.00 0.00 H new ATOM 222 N LYS A 16 -6.873 -1.100 8.494 1.00 0.00 N ATOM 223 CA LYS A 16 -6.558 0.270 7.997 1.00 0.00 C ATOM 224 C LYS A 16 -7.776 1.167 8.208 1.00 0.00 C ATOM 225 O LYS A 16 -7.704 2.189 8.860 1.00 0.00 O ATOM 226 CB LYS A 16 -6.258 0.100 6.507 1.00 0.00 C ATOM 227 CG LYS A 16 -6.034 1.473 5.867 1.00 0.00 C ATOM 228 CD LYS A 16 -5.883 1.311 4.353 1.00 0.00 C ATOM 229 CE LYS A 16 -5.761 2.689 3.698 1.00 0.00 C ATOM 230 NZ LYS A 16 -4.552 2.594 2.833 1.00 0.00 N ATOM 0 H LYS A 16 -6.735 -1.854 7.821 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.717 0.728 8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.374 -0.523 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.086 -0.411 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.873 2.132 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.142 1.940 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.001 0.711 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.743 0.779 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.649 2.928 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.651 3.474 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.094 3.526 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.886 1.907 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.830 2.283 1.880 1.00 0.00 H new ATOM 244 N LYS A 17 -8.904 0.775 7.679 1.00 0.00 N ATOM 245 CA LYS A 17 -10.137 1.587 7.868 1.00 0.00 C ATOM 246 C LYS A 17 -10.737 1.297 9.245 1.00 0.00 C ATOM 247 O LYS A 17 -11.856 1.670 9.536 1.00 0.00 O ATOM 248 CB LYS A 17 -11.088 1.129 6.764 1.00 0.00 C ATOM 249 CG LYS A 17 -10.477 1.438 5.397 1.00 0.00 C ATOM 250 CD LYS A 17 -11.461 1.027 4.301 1.00 0.00 C ATOM 251 CE LYS A 17 -10.808 1.217 2.931 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.271 0.052 2.127 1.00 0.00 N ATOM 0 H LYS A 17 -9.023 -0.073 7.124 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.944 2.659 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.278 0.060 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.049 1.633 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.251 2.501 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.536 0.902 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.756 -0.014 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.369 1.626 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.112 2.159 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.721 1.237 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.472 -0.592 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.019 -0.452 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.645 0.386 1.216 1.00 0.00 H new ATOM 266 N LEU A 18 -9.999 0.633 10.095 1.00 0.00 N ATOM 267 CA LEU A 18 -10.515 0.315 11.454 1.00 0.00 C ATOM 268 C LEU A 18 -10.895 1.600 12.194 1.00 0.00 C ATOM 269 O LEU A 18 -11.866 1.641 12.924 1.00 0.00 O ATOM 270 CB LEU A 18 -9.342 -0.385 12.146 1.00 0.00 C ATOM 271 CG LEU A 18 -9.720 -0.754 13.581 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.006 -1.582 13.574 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.587 -1.573 14.211 1.00 0.00 C ATOM 0 H LEU A 18 -9.056 0.296 9.903 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.412 -0.304 11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.067 -1.283 11.592 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.469 0.268 12.148 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.878 0.155 14.161 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.275 -1.845 14.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.811 -1.000 13.125 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.850 -2.492 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.854 -1.837 15.234 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.429 -2.482 13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.671 -0.983 14.216 1.00 0.00 H new ATOM 285 N LYS A 19 -10.142 2.652 12.012 1.00 0.00 N ATOM 286 CA LYS A 19 -10.478 3.927 12.712 1.00 0.00 C ATOM 287 C LYS A 19 -11.917 4.337 12.391 1.00 0.00 C ATOM 288 O LYS A 19 -12.663 4.748 13.258 1.00 0.00 O ATOM 289 CB LYS A 19 -9.491 4.962 12.169 1.00 0.00 C ATOM 290 CG LYS A 19 -9.710 6.293 12.892 1.00 0.00 C ATOM 291 CD LYS A 19 -8.739 7.342 12.348 1.00 0.00 C ATOM 292 CE LYS A 19 -8.846 8.619 13.185 1.00 0.00 C ATOM 293 NZ LYS A 19 -7.630 9.407 12.839 1.00 0.00 N ATOM 0 H LYS A 19 -9.316 2.685 11.415 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.405 3.832 13.795 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.467 4.618 12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.633 5.090 11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.738 6.628 12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.559 6.165 13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.719 6.959 12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.968 7.558 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.755 9.171 12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.879 8.391 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.631 10.299 13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.780 8.859 13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.629 9.614 11.820 1.00 0.00 H new ATOM 307 N ASP A 20 -12.314 4.226 11.153 1.00 0.00 N ATOM 308 CA ASP A 20 -13.706 4.607 10.779 1.00 0.00 C ATOM 309 C ASP A 20 -14.581 3.355 10.668 1.00 0.00 C ATOM 310 O ASP A 20 -14.428 2.558 9.764 1.00 0.00 O ATOM 311 CB ASP A 20 -13.579 5.295 9.420 1.00 0.00 C ATOM 312 CG ASP A 20 -12.828 6.617 9.585 1.00 0.00 C ATOM 313 OD1 ASP A 20 -12.659 7.042 10.716 1.00 0.00 O ATOM 314 OD2 ASP A 20 -12.436 7.183 8.578 1.00 0.00 O ATOM 0 H ASP A 20 -11.735 3.888 10.384 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.171 5.257 11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.049 4.648 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.568 5.476 8.999 1.00 0.00 H new ATOM 319 N LEU A 21 -15.494 3.175 11.582 1.00 0.00 N ATOM 320 CA LEU A 21 -16.376 1.974 11.529 1.00 0.00 C ATOM 321 C LEU A 21 -17.252 2.014 10.274 1.00 0.00 C ATOM 322 O LEU A 21 -17.533 0.998 9.669 1.00 0.00 O ATOM 323 CB LEU A 21 -17.239 2.060 12.787 1.00 0.00 C ATOM 324 CG LEU A 21 -16.347 1.931 14.023 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.201 2.066 15.285 1.00 0.00 C ATOM 326 CD2 LEU A 21 -15.662 0.563 14.013 1.00 0.00 C ATOM 0 H LEU A 21 -15.668 3.807 12.363 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.806 1.046 11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.776 3.008 12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.989 1.269 12.782 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.592 2.717 14.012 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.566 1.974 16.166 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.690 3.040 15.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.956 1.280 15.299 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.026 0.468 14.893 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.418 -0.222 14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.054 0.467 13.113 1.00 0.00 H new ATOM 338 N GLN A 22 -17.689 3.179 9.880 1.00 0.00 N ATOM 339 CA GLN A 22 -18.550 3.280 8.665 1.00 0.00 C ATOM 340 C GLN A 22 -17.798 2.755 7.439 1.00 0.00 C ATOM 341 O GLN A 22 -16.629 3.027 7.252 1.00 0.00 O ATOM 342 CB GLN A 22 -18.848 4.772 8.513 1.00 0.00 C ATOM 343 CG GLN A 22 -20.313 4.960 8.114 1.00 0.00 C ATOM 344 CD GLN A 22 -21.182 5.011 9.372 1.00 0.00 C ATOM 345 OE1 GLN A 22 -21.188 5.998 10.080 1.00 0.00 O ATOM 346 NE2 GLN A 22 -21.919 3.980 9.682 1.00 0.00 N ATOM 0 H GLN A 22 -17.488 4.064 10.345 1.00 0.00 H new ATOM 0 HA GLN A 22 -19.462 2.690 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.645 5.292 9.449 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -18.195 5.209 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -20.430 5.880 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -20.634 4.141 7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -21.913 3.152 9.087 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -22.501 4.002 10.519 1.00 0.00 H new ATOM 355 N GLU A 23 -18.462 2.004 6.603 1.00 0.00 N ATOM 356 CA GLU A 23 -17.786 1.462 5.389 1.00 0.00 C ATOM 357 C GLU A 23 -18.700 0.457 4.680 1.00 0.00 C ATOM 358 O GLU A 23 -19.665 -0.012 5.249 1.00 0.00 O ATOM 359 CB GLU A 23 -16.528 0.767 5.913 1.00 0.00 C ATOM 360 CG GLU A 23 -15.292 1.558 5.480 1.00 0.00 C ATOM 361 CD GLU A 23 -14.394 1.805 6.694 1.00 0.00 C ATOM 362 OE1 GLU A 23 -14.213 0.882 7.470 1.00 0.00 O ATOM 363 OE2 GLU A 23 -13.900 2.913 6.826 1.00 0.00 O ATOM 0 H GLU A 23 -19.442 1.742 6.708 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.549 2.241 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.565 0.695 7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.475 -0.251 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.744 1.008 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.592 2.508 5.037 1.00 0.00 H new ATOM 370 N PRO A 24 -18.363 0.161 3.453 1.00 0.00 N ATOM 371 CA PRO A 24 -19.157 -0.796 2.647 1.00 0.00 C ATOM 372 C PRO A 24 -19.151 -2.183 3.296 1.00 0.00 C ATOM 373 O PRO A 24 -18.266 -2.518 4.059 1.00 0.00 O ATOM 374 CB PRO A 24 -18.411 -0.809 1.310 1.00 0.00 C ATOM 375 CG PRO A 24 -17.206 0.148 1.405 1.00 0.00 C ATOM 376 CD PRO A 24 -17.174 0.766 2.809 1.00 0.00 C ATOM 0 HA PRO A 24 -20.207 -0.521 2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.074 -1.819 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.076 -0.500 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.279 -0.392 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.285 0.930 0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.255 0.519 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.240 1.853 2.775 1.00 0.00 H new ATOM 384 N GLN A 25 -20.131 -2.993 3.000 1.00 0.00 N ATOM 385 CA GLN A 25 -20.179 -4.357 3.602 1.00 0.00 C ATOM 386 C GLN A 25 -18.847 -5.076 3.387 1.00 0.00 C ATOM 387 O GLN A 25 -18.402 -5.846 4.215 1.00 0.00 O ATOM 388 CB GLN A 25 -21.304 -5.079 2.858 1.00 0.00 C ATOM 389 CG GLN A 25 -22.636 -4.385 3.148 1.00 0.00 C ATOM 390 CD GLN A 25 -23.753 -5.079 2.365 1.00 0.00 C ATOM 391 OE1 GLN A 25 -23.496 -5.758 1.392 1.00 0.00 O ATOM 392 NE2 GLN A 25 -24.992 -4.934 2.751 1.00 0.00 N ATOM 0 H GLN A 25 -20.900 -2.770 2.368 1.00 0.00 H new ATOM 0 HA GLN A 25 -20.354 -4.328 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -21.106 -5.076 1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -21.350 -6.122 3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -22.851 -4.418 4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -22.579 -3.333 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -25.208 -4.364 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -25.744 -5.391 2.235 1.00 0.00 H new ATOM 401 N GLU A 26 -18.205 -4.828 2.280 1.00 0.00 N ATOM 402 CA GLU A 26 -16.900 -5.495 2.008 1.00 0.00 C ATOM 403 C GLU A 26 -16.998 -6.998 2.288 1.00 0.00 C ATOM 404 O GLU A 26 -16.289 -7.518 3.126 1.00 0.00 O ATOM 405 CB GLU A 26 -15.912 -4.835 2.971 1.00 0.00 C ATOM 406 CG GLU A 26 -14.494 -4.957 2.411 1.00 0.00 C ATOM 407 CD GLU A 26 -14.172 -3.726 1.563 1.00 0.00 C ATOM 408 OE1 GLU A 26 -14.329 -2.626 2.067 1.00 0.00 O ATOM 409 OE2 GLU A 26 -13.774 -3.903 0.424 1.00 0.00 O ATOM 0 H GLU A 26 -18.527 -4.192 1.551 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.593 -5.388 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.170 -3.785 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.970 -5.310 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.776 -5.048 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.407 -5.860 1.807 1.00 0.00 H new ATOM 416 N PRO A 27 -17.875 -7.649 1.569 1.00 0.00 N ATOM 417 CA PRO A 27 -18.067 -9.109 1.736 1.00 0.00 C ATOM 418 C PRO A 27 -16.776 -9.857 1.390 1.00 0.00 C ATOM 419 O PRO A 27 -16.505 -10.925 1.902 1.00 0.00 O ATOM 420 CB PRO A 27 -19.174 -9.421 0.725 1.00 0.00 C ATOM 421 CG PRO A 27 -19.575 -8.114 0.012 1.00 0.00 C ATOM 422 CD PRO A 27 -18.714 -6.967 0.559 1.00 0.00 C ATOM 0 HA PRO A 27 -18.321 -9.407 2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -18.827 -10.156 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -20.036 -9.855 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -19.433 -8.212 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -20.632 -7.904 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -18.112 -6.503 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -19.322 -6.179 1.002 1.00 0.00 H new ATOM 430 N ARG A 28 -15.977 -9.296 0.524 1.00 0.00 N ATOM 431 CA ARG A 28 -14.701 -9.964 0.140 1.00 0.00 C ATOM 432 C ARG A 28 -13.600 -8.918 -0.052 1.00 0.00 C ATOM 433 O ARG A 28 -13.869 -7.754 -0.275 1.00 0.00 O ATOM 434 CB ARG A 28 -15.003 -10.673 -1.181 1.00 0.00 C ATOM 435 CG ARG A 28 -16.035 -11.778 -0.943 1.00 0.00 C ATOM 436 CD ARG A 28 -16.237 -12.573 -2.235 1.00 0.00 C ATOM 437 NE ARG A 28 -17.388 -13.476 -1.952 1.00 0.00 N ATOM 438 CZ ARG A 28 -17.403 -14.686 -2.440 1.00 0.00 C ATOM 439 NH1 ARG A 28 -17.271 -15.711 -1.644 1.00 0.00 N ATOM 440 NH2 ARG A 28 -17.550 -14.871 -3.724 1.00 0.00 N ATOM 0 H ARG A 28 -16.153 -8.402 0.065 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.353 -10.660 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.382 -9.958 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.089 -11.098 -1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.698 -12.440 -0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.981 -11.344 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.450 -11.913 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.343 -13.141 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 28 -18.164 -13.148 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.156 -15.566 -0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.283 -16.657 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.653 -14.069 -4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.562 -15.817 -4.105 1.00 0.00 H new ATOM 454 N VAL A 29 -12.362 -9.321 0.032 1.00 0.00 N ATOM 455 CA VAL A 29 -11.248 -8.345 -0.148 1.00 0.00 C ATOM 456 C VAL A 29 -10.478 -8.652 -1.435 1.00 0.00 C ATOM 457 O VAL A 29 -10.099 -9.778 -1.689 1.00 0.00 O ATOM 458 CB VAL A 29 -10.352 -8.537 1.075 1.00 0.00 C ATOM 459 CG1 VAL A 29 -9.231 -7.496 1.054 1.00 0.00 C ATOM 460 CG2 VAL A 29 -11.183 -8.366 2.349 1.00 0.00 C ATOM 0 H VAL A 29 -12.073 -10.282 0.217 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.607 -7.319 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.920 -9.537 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.591 -7.632 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.639 -7.617 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.663 -6.496 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.544 -8.503 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.616 -7.366 2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.982 -9.107 2.365 1.00 0.00 H new ATOM 470 N GLY A 30 -10.242 -7.660 -2.249 1.00 0.00 N ATOM 471 CA GLY A 30 -9.497 -7.896 -3.518 1.00 0.00 C ATOM 472 C GLY A 30 -8.097 -7.288 -3.410 1.00 0.00 C ATOM 473 O GLY A 30 -7.113 -7.990 -3.292 1.00 0.00 O ATOM 0 H GLY A 30 -10.533 -6.695 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.426 -8.965 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.034 -7.451 -4.355 1.00 0.00 H new ATOM 477 N LYS A 31 -8.000 -5.987 -3.449 1.00 0.00 N ATOM 478 CA LYS A 31 -6.662 -5.336 -3.349 1.00 0.00 C ATOM 479 C LYS A 31 -6.329 -5.037 -1.885 1.00 0.00 C ATOM 480 O LYS A 31 -7.207 -4.855 -1.064 1.00 0.00 O ATOM 481 CB LYS A 31 -6.792 -4.040 -4.149 1.00 0.00 C ATOM 482 CG LYS A 31 -6.996 -4.377 -5.628 1.00 0.00 C ATOM 483 CD LYS A 31 -6.985 -3.089 -6.454 1.00 0.00 C ATOM 484 CE LYS A 31 -7.279 -3.421 -7.918 1.00 0.00 C ATOM 485 NZ LYS A 31 -6.655 -2.312 -8.694 1.00 0.00 N ATOM 0 H LYS A 31 -8.788 -5.347 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.862 -5.970 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.633 -3.453 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.897 -3.430 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.208 -5.047 -5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.942 -4.901 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.730 -2.392 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.016 -2.598 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.856 -4.386 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.352 -3.478 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.813 -2.467 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.082 -1.407 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.633 -2.287 -8.503 1.00 0.00 H new ATOM 499 N LEU A 32 -5.069 -4.987 -1.550 1.00 0.00 N ATOM 500 CA LEU A 32 -4.684 -4.705 -0.137 1.00 0.00 C ATOM 501 C LEU A 32 -4.283 -3.237 0.026 1.00 0.00 C ATOM 502 O LEU A 32 -3.579 -2.679 -0.791 1.00 0.00 O ATOM 503 CB LEU A 32 -3.491 -5.620 0.139 1.00 0.00 C ATOM 504 CG LEU A 32 -3.936 -7.080 0.048 1.00 0.00 C ATOM 505 CD1 LEU A 32 -4.083 -7.478 -1.422 1.00 0.00 C ATOM 506 CD2 LEU A 32 -2.892 -7.975 0.717 1.00 0.00 C ATOM 0 H LEU A 32 -4.290 -5.129 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.506 -4.885 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.696 -5.426 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.083 -5.414 1.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.894 -7.199 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.400 -8.519 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.828 -6.841 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.126 -7.358 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.210 -9.016 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.933 -7.856 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.788 -7.692 1.765 1.00 0.00 H new ATOM 518 N ARG A 33 -4.725 -2.611 1.082 1.00 0.00 N ATOM 519 CA ARG A 33 -4.370 -1.181 1.310 1.00 0.00 C ATOM 520 C ARG A 33 -3.461 -1.061 2.537 1.00 0.00 C ATOM 521 O ARG A 33 -3.650 -1.739 3.527 1.00 0.00 O ATOM 522 CB ARG A 33 -5.706 -0.481 1.558 1.00 0.00 C ATOM 523 CG ARG A 33 -6.551 -0.534 0.284 1.00 0.00 C ATOM 524 CD ARG A 33 -7.829 0.283 0.484 1.00 0.00 C ATOM 525 NE ARG A 33 -7.370 1.700 0.540 1.00 0.00 N ATOM 526 CZ ARG A 33 -8.060 2.633 -0.058 1.00 0.00 C ATOM 527 NH1 ARG A 33 -8.457 2.463 -1.289 1.00 0.00 N ATOM 528 NH2 ARG A 33 -8.353 3.735 0.576 1.00 0.00 N ATOM 0 H ARG A 33 -5.318 -3.029 1.799 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.832 -0.742 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.235 -0.964 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.537 0.555 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.983 -0.140 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.801 -1.567 0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.531 0.127 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.342 -0.003 1.402 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.517 1.941 1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.228 1.601 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.996 3.192 -1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.043 3.867 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.892 4.464 0.109 1.00 0.00 H new ATOM 542 N ASN A 34 -2.472 -0.212 2.481 1.00 0.00 N ATOM 543 CA ASN A 34 -1.558 -0.069 3.651 1.00 0.00 C ATOM 544 C ASN A 34 -1.495 1.390 4.116 1.00 0.00 C ATOM 545 O ASN A 34 -0.899 2.231 3.475 1.00 0.00 O ATOM 546 CB ASN A 34 -0.191 -0.528 3.143 1.00 0.00 C ATOM 547 CG ASN A 34 -0.259 -2.007 2.759 1.00 0.00 C ATOM 548 OD1 ASN A 34 -1.062 -2.748 3.292 1.00 0.00 O ATOM 549 ND2 ASN A 34 0.554 -2.472 1.851 1.00 0.00 N ATOM 0 H ASN A 34 -2.257 0.385 1.682 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.897 -0.654 4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.108 0.069 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.565 -0.376 3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.516 -3.457 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.228 -1.851 1.404 1.00 0.00 H new ATOM 556 N PHE A 35 -2.098 1.690 5.235 1.00 0.00 N ATOM 557 CA PHE A 35 -2.068 3.091 5.751 1.00 0.00 C ATOM 558 C PHE A 35 -2.854 3.190 7.061 1.00 0.00 C ATOM 559 O PHE A 35 -3.877 3.841 7.133 1.00 0.00 O ATOM 560 CB PHE A 35 -2.737 3.937 4.667 1.00 0.00 C ATOM 561 CG PHE A 35 -2.661 5.394 5.056 1.00 0.00 C ATOM 562 CD1 PHE A 35 -1.500 6.130 4.788 1.00 0.00 C ATOM 563 CD2 PHE A 35 -3.750 6.009 5.685 1.00 0.00 C ATOM 564 CE1 PHE A 35 -1.429 7.481 5.151 1.00 0.00 C ATOM 565 CE2 PHE A 35 -3.678 7.359 6.047 1.00 0.00 C ATOM 566 CZ PHE A 35 -2.517 8.096 5.780 1.00 0.00 C ATOM 0 H PHE A 35 -2.611 1.026 5.815 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.052 3.426 5.959 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.243 3.778 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.777 3.635 4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.660 5.656 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.646 5.442 5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.533 8.049 4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.518 7.833 6.533 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.462 9.138 6.059 1.00 0.00 H new ATOM 576 N ALA A 36 -2.385 2.552 8.099 1.00 0.00 N ATOM 577 CA ALA A 36 -3.108 2.615 9.401 1.00 0.00 C ATOM 578 C ALA A 36 -3.091 4.048 9.945 1.00 0.00 C ATOM 579 O ALA A 36 -2.128 4.766 9.765 1.00 0.00 O ATOM 580 CB ALA A 36 -2.336 1.678 10.329 1.00 0.00 C ATOM 0 H ALA A 36 -1.533 1.991 8.102 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.154 2.323 9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.808 1.669 11.312 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.342 0.670 9.915 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.307 2.026 10.423 1.00 0.00 H new ATOM 586 N PRO A 37 -4.165 4.419 10.594 1.00 0.00 N ATOM 587 CA PRO A 37 -4.282 5.778 11.170 1.00 0.00 C ATOM 588 C PRO A 37 -3.215 6.009 12.240 1.00 0.00 C ATOM 589 O PRO A 37 -2.759 7.118 12.433 1.00 0.00 O ATOM 590 CB PRO A 37 -5.684 5.766 11.783 1.00 0.00 C ATOM 591 CG PRO A 37 -6.320 4.383 11.534 1.00 0.00 C ATOM 592 CD PRO A 37 -5.313 3.503 10.784 1.00 0.00 C ATOM 0 HA PRO A 37 -4.139 6.574 10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.631 5.971 12.852 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.298 6.550 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.595 3.918 12.481 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.236 4.488 10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.037 2.621 11.361 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.712 3.150 9.833 1.00 0.00 H new ATOM 600 N ILE A 38 -2.818 4.969 12.930 1.00 0.00 N ATOM 601 CA ILE A 38 -1.771 5.100 13.996 1.00 0.00 C ATOM 602 C ILE A 38 -1.936 3.975 15.029 1.00 0.00 C ATOM 603 O ILE A 38 -2.940 3.907 15.710 1.00 0.00 O ATOM 604 CB ILE A 38 -2.006 6.474 14.648 1.00 0.00 C ATOM 605 CG1 ILE A 38 -0.936 7.482 14.189 1.00 0.00 C ATOM 606 CG2 ILE A 38 -1.939 6.343 16.173 1.00 0.00 C ATOM 607 CD1 ILE A 38 -0.302 7.047 12.859 1.00 0.00 C ATOM 0 H ILE A 38 -3.177 4.023 12.800 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.762 5.023 13.590 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.990 6.832 14.346 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.386 8.468 14.076 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.163 7.570 14.953 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.106 7.319 16.630 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.706 5.647 16.512 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.957 5.970 16.463 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.450 7.777 12.558 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.168 6.071 12.982 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.074 6.984 12.092 1.00 0.00 H new ATOM 619 N PRO A 39 -0.942 3.128 15.115 1.00 0.00 N ATOM 620 CA PRO A 39 -0.977 1.998 16.075 1.00 0.00 C ATOM 621 C PRO A 39 -1.040 2.519 17.515 1.00 0.00 C ATOM 622 O PRO A 39 -0.610 3.616 17.808 1.00 0.00 O ATOM 623 CB PRO A 39 0.354 1.289 15.808 1.00 0.00 C ATOM 624 CG PRO A 39 1.106 2.046 14.695 1.00 0.00 C ATOM 625 CD PRO A 39 0.262 3.252 14.260 1.00 0.00 C ATOM 0 HA PRO A 39 -1.844 1.348 15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.955 1.260 16.717 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.178 0.256 15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.080 2.377 15.055 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.288 1.387 13.846 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.784 4.194 14.429 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.012 3.211 13.200 1.00 0.00 H new ATOM 633 N GLY A 40 -1.573 1.739 18.417 1.00 0.00 N ATOM 634 CA GLY A 40 -1.659 2.190 19.834 1.00 0.00 C ATOM 635 C GLY A 40 -3.085 2.653 20.140 1.00 0.00 C ATOM 636 O GLY A 40 -3.390 3.062 21.244 1.00 0.00 O ATOM 0 H GLY A 40 -1.952 0.810 18.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.379 1.376 20.503 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.956 3.004 20.010 1.00 0.00 H new ATOM 640 N GLU A 41 -3.960 2.596 19.175 1.00 0.00 N ATOM 641 CA GLU A 41 -5.364 3.035 19.415 1.00 0.00 C ATOM 642 C GLU A 41 -6.055 2.085 20.400 1.00 0.00 C ATOM 643 O GLU A 41 -5.876 0.884 20.328 1.00 0.00 O ATOM 644 CB GLU A 41 -6.040 2.968 18.045 1.00 0.00 C ATOM 645 CG GLU A 41 -6.565 4.355 17.666 1.00 0.00 C ATOM 646 CD GLU A 41 -5.924 4.800 16.351 1.00 0.00 C ATOM 647 OE1 GLU A 41 -5.855 3.988 15.443 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.513 5.946 16.273 1.00 0.00 O ATOM 0 H GLU A 41 -3.764 2.265 18.230 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.415 4.034 19.847 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.331 2.618 17.295 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.860 2.251 18.067 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.650 4.330 17.564 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.336 5.071 18.455 1.00 0.00 H new ATOM 655 N PRO A 42 -6.827 2.653 21.291 1.00 0.00 N ATOM 656 CA PRO A 42 -7.554 1.846 22.300 1.00 0.00 C ATOM 657 C PRO A 42 -8.530 0.888 21.612 1.00 0.00 C ATOM 658 O PRO A 42 -9.526 1.300 21.050 1.00 0.00 O ATOM 659 CB PRO A 42 -8.303 2.910 23.105 1.00 0.00 C ATOM 660 CG PRO A 42 -7.973 4.298 22.520 1.00 0.00 C ATOM 661 CD PRO A 42 -7.013 4.122 21.337 1.00 0.00 C ATOM 0 HA PRO A 42 -6.906 1.221 22.915 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.377 2.728 23.063 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.012 2.864 24.154 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.886 4.797 22.194 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.519 4.931 23.283 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.437 4.507 20.409 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.071 4.646 21.498 1.00 0.00 H new ATOM 669 N VAL A 43 -8.253 -0.386 21.646 1.00 0.00 N ATOM 670 CA VAL A 43 -9.167 -1.361 20.990 1.00 0.00 C ATOM 671 C VAL A 43 -9.395 -2.576 21.895 1.00 0.00 C ATOM 672 O VAL A 43 -8.499 -3.031 22.578 1.00 0.00 O ATOM 673 CB VAL A 43 -8.446 -1.777 19.707 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.303 -2.790 18.945 1.00 0.00 C ATOM 675 CG2 VAL A 43 -8.215 -0.544 18.830 1.00 0.00 C ATOM 0 H VAL A 43 -7.435 -0.793 22.099 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.148 -0.931 20.788 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.487 -2.229 19.960 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.789 -3.086 18.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.469 -3.668 19.569 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.262 -2.338 18.692 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.701 -0.839 17.915 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.174 -0.092 18.578 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.605 0.179 19.372 1.00 0.00 H new ATOM 685 N VAL A 44 -10.588 -3.104 21.897 1.00 0.00 N ATOM 686 CA VAL A 44 -10.884 -4.291 22.747 1.00 0.00 C ATOM 687 C VAL A 44 -10.590 -3.993 24.223 1.00 0.00 C ATOM 688 O VAL A 44 -9.807 -4.680 24.850 1.00 0.00 O ATOM 689 CB VAL A 44 -9.960 -5.391 22.221 1.00 0.00 C ATOM 690 CG1 VAL A 44 -9.953 -6.568 23.197 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.463 -5.866 20.856 1.00 0.00 C ATOM 0 H VAL A 44 -11.374 -2.762 21.344 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.934 -4.578 22.697 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.948 -4.997 22.123 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.294 -7.350 22.819 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.596 -6.231 24.170 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.964 -6.963 23.298 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.806 -6.650 20.479 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.475 -6.258 20.957 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.467 -5.029 20.158 1.00 0.00 H new ATOM 701 N PRO A 45 -11.240 -2.983 24.741 1.00 0.00 N ATOM 702 CA PRO A 45 -11.054 -2.606 26.161 1.00 0.00 C ATOM 703 C PRO A 45 -11.509 -3.756 27.064 1.00 0.00 C ATOM 704 O PRO A 45 -10.866 -4.087 28.042 1.00 0.00 O ATOM 705 CB PRO A 45 -11.975 -1.392 26.310 1.00 0.00 C ATOM 706 CG PRO A 45 -12.660 -1.121 24.955 1.00 0.00 C ATOM 707 CD PRO A 45 -12.182 -2.169 23.941 1.00 0.00 C ATOM 0 HA PRO A 45 -10.021 -2.392 26.435 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.723 -1.578 27.081 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.402 -0.520 26.625 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.744 -1.168 25.064 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.418 -0.118 24.604 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.008 -2.766 23.555 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.693 -1.709 23.082 1.00 0.00 H new ATOM 715 N ILE A 46 -12.613 -4.368 26.735 1.00 0.00 N ATOM 716 CA ILE A 46 -13.122 -5.503 27.557 1.00 0.00 C ATOM 717 C ILE A 46 -13.524 -6.669 26.646 1.00 0.00 C ATOM 718 O ILE A 46 -13.473 -7.819 27.033 1.00 0.00 O ATOM 719 CB ILE A 46 -14.345 -4.948 28.287 1.00 0.00 C ATOM 720 CG1 ILE A 46 -13.972 -3.640 28.989 1.00 0.00 C ATOM 721 CG2 ILE A 46 -14.827 -5.966 29.324 1.00 0.00 C ATOM 722 CD1 ILE A 46 -12.809 -3.895 29.950 1.00 0.00 C ATOM 0 H ILE A 46 -13.188 -4.129 25.927 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.372 -5.881 28.252 1.00 0.00 H new ATOM 0 HB ILE A 46 -15.142 -4.758 27.568 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.692 -2.886 28.253 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.831 -3.249 29.535 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -15.699 -5.570 29.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -15.095 -6.896 28.823 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -14.031 -6.157 30.044 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.541 -2.965 30.452 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.106 -4.635 30.693 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.950 -4.266 29.391 1.00 0.00 H new ATOM 734 N LEU A 47 -13.922 -6.375 25.437 1.00 0.00 N ATOM 735 CA LEU A 47 -14.328 -7.457 24.495 1.00 0.00 C ATOM 736 C LEU A 47 -14.773 -6.848 23.163 1.00 0.00 C ATOM 737 O LEU A 47 -15.933 -6.544 22.966 1.00 0.00 O ATOM 738 CB LEU A 47 -15.499 -8.163 25.179 1.00 0.00 C ATOM 739 CG LEU A 47 -16.605 -7.146 25.467 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.889 -7.572 24.750 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.859 -7.081 26.974 1.00 0.00 C ATOM 0 H LEU A 47 -13.983 -5.429 25.061 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.512 -8.146 24.277 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.880 -8.961 24.541 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.166 -8.628 26.107 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.298 -6.164 25.108 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.677 -6.848 24.955 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.708 -7.618 23.676 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -18.197 -8.554 25.108 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.647 -6.356 27.179 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.166 -8.063 27.334 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.945 -6.777 27.484 1.00 0.00 H new ATOM 753 N CYS A 48 -13.861 -6.662 22.247 1.00 0.00 N ATOM 754 CA CYS A 48 -14.237 -6.066 20.932 1.00 0.00 C ATOM 755 C CYS A 48 -14.894 -4.700 21.144 1.00 0.00 C ATOM 756 O CYS A 48 -15.976 -4.599 21.688 1.00 0.00 O ATOM 757 CB CYS A 48 -15.232 -7.052 20.319 1.00 0.00 C ATOM 758 SG CYS A 48 -14.395 -8.047 19.059 1.00 0.00 S ATOM 0 H CYS A 48 -12.874 -6.896 22.352 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.373 -5.908 20.286 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.644 -7.698 21.094 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.069 -6.513 19.875 1.00 0.00 H new ATOM 763 N SER A 49 -14.249 -3.646 20.723 1.00 0.00 N ATOM 764 CA SER A 49 -14.838 -2.289 20.906 1.00 0.00 C ATOM 765 C SER A 49 -15.572 -1.848 19.642 1.00 0.00 C ATOM 766 O SER A 49 -16.725 -1.470 19.682 1.00 0.00 O ATOM 767 CB SER A 49 -13.645 -1.372 21.178 1.00 0.00 C ATOM 768 OG SER A 49 -13.095 -0.935 19.944 1.00 0.00 O ATOM 0 H SER A 49 -13.340 -3.666 20.260 1.00 0.00 H new ATOM 0 HA SER A 49 -15.566 -2.266 21.716 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.960 -0.514 21.773 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.890 -1.902 21.758 1.00 0.00 H new ATOM 0 HG SER A 49 -12.331 -0.346 20.117 1.00 0.00 H new ATOM 774 N ASN A 50 -14.910 -1.887 18.523 1.00 0.00 N ATOM 775 CA ASN A 50 -15.560 -1.464 17.247 1.00 0.00 C ATOM 776 C ASN A 50 -16.445 -2.591 16.697 1.00 0.00 C ATOM 777 O ASN A 50 -15.945 -3.610 16.264 1.00 0.00 O ATOM 778 CB ASN A 50 -14.399 -1.187 16.292 1.00 0.00 C ATOM 779 CG ASN A 50 -14.069 0.306 16.307 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.716 1.077 16.987 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.080 0.749 15.580 1.00 0.00 N ATOM 0 H ASN A 50 -13.942 -2.195 18.433 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.203 -0.594 17.381 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.525 -1.766 16.589 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.662 -1.502 15.282 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.850 1.743 15.583 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.537 0.101 15.009 1.00 0.00 H new ATOM 788 N PRO A 51 -17.737 -2.369 16.724 1.00 0.00 N ATOM 789 CA PRO A 51 -18.695 -3.379 16.215 1.00 0.00 C ATOM 790 C PRO A 51 -18.526 -3.560 14.704 1.00 0.00 C ATOM 791 O PRO A 51 -19.033 -4.496 14.120 1.00 0.00 O ATOM 792 CB PRO A 51 -20.053 -2.747 16.539 1.00 0.00 C ATOM 793 CG PRO A 51 -19.813 -1.387 17.225 1.00 0.00 C ATOM 794 CD PRO A 51 -18.305 -1.112 17.263 1.00 0.00 C ATOM 0 HA PRO A 51 -18.564 -4.368 16.653 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.635 -2.613 15.627 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.629 -3.403 17.191 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.328 -0.594 16.682 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.220 -1.397 18.236 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.034 -0.250 16.653 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.955 -0.909 18.275 1.00 0.00 H new ATOM 802 N ASN A 52 -17.821 -2.665 14.067 1.00 0.00 N ATOM 803 CA ASN A 52 -17.626 -2.781 12.594 1.00 0.00 C ATOM 804 C ASN A 52 -16.152 -3.039 12.269 1.00 0.00 C ATOM 805 O ASN A 52 -15.706 -2.825 11.159 1.00 0.00 O ATOM 806 CB ASN A 52 -18.076 -1.436 12.027 1.00 0.00 C ATOM 807 CG ASN A 52 -19.586 -1.284 12.216 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.276 -2.248 12.477 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.131 -0.105 12.095 1.00 0.00 N ATOM 0 H ASN A 52 -17.372 -1.859 14.503 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.190 -3.611 12.169 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.552 -0.623 12.530 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.823 -1.372 10.969 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.137 0.007 12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.551 0.705 11.876 1.00 0.00 H new ATOM 816 N PHE A 53 -15.397 -3.511 13.221 1.00 0.00 N ATOM 817 CA PHE A 53 -13.958 -3.798 12.955 1.00 0.00 C ATOM 818 C PHE A 53 -13.844 -5.143 12.243 1.00 0.00 C ATOM 819 O PHE A 53 -14.826 -5.844 12.107 1.00 0.00 O ATOM 820 CB PHE A 53 -13.286 -3.846 14.336 1.00 0.00 C ATOM 821 CG PHE A 53 -13.445 -5.220 14.956 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.714 -5.805 15.057 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.320 -5.908 15.439 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.859 -7.071 15.636 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.468 -7.177 16.020 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.737 -7.756 16.117 1.00 0.00 C ATOM 0 H PHE A 53 -15.712 -3.711 14.170 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.487 -3.048 12.319 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.228 -3.604 14.241 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.728 -3.093 14.988 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.582 -5.278 14.688 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.340 -5.460 15.363 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.838 -7.520 15.712 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.603 -7.706 16.392 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.852 -8.733 16.563 1.00 0.00 H new ATOM 836 N PRO A 54 -12.654 -5.476 11.822 1.00 0.00 N ATOM 837 CA PRO A 54 -12.441 -6.765 11.140 1.00 0.00 C ATOM 838 C PRO A 54 -12.895 -7.895 12.063 1.00 0.00 C ATOM 839 O PRO A 54 -12.100 -8.570 12.685 1.00 0.00 O ATOM 840 CB PRO A 54 -10.927 -6.775 10.903 1.00 0.00 C ATOM 841 CG PRO A 54 -10.336 -5.458 11.450 1.00 0.00 C ATOM 842 CD PRO A 54 -11.478 -4.597 12.008 1.00 0.00 C ATOM 0 HA PRO A 54 -12.997 -6.896 10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.471 -7.630 11.402 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.711 -6.874 9.839 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.605 -5.668 12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.812 -4.922 10.659 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.321 -4.343 13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.582 -3.658 11.465 1.00 0.00 H new ATOM 850 N GLU A 55 -14.185 -8.073 12.176 1.00 0.00 N ATOM 851 CA GLU A 55 -14.730 -9.124 13.079 1.00 0.00 C ATOM 852 C GLU A 55 -13.872 -10.386 13.014 1.00 0.00 C ATOM 853 O GLU A 55 -13.799 -11.141 13.964 1.00 0.00 O ATOM 854 CB GLU A 55 -16.144 -9.384 12.567 1.00 0.00 C ATOM 855 CG GLU A 55 -16.074 -10.056 11.193 1.00 0.00 C ATOM 856 CD GLU A 55 -17.491 -10.327 10.684 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.426 -10.049 11.416 1.00 0.00 O ATOM 858 OE2 GLU A 55 -17.616 -10.808 9.570 1.00 0.00 O ATOM 0 H GLU A 55 -14.889 -7.529 11.676 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.731 -8.815 14.124 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.685 -10.020 13.268 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.695 -8.446 12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.540 -9.416 10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.516 -10.990 11.261 1.00 0.00 H new ATOM 865 N GLU A 56 -13.199 -10.616 11.922 1.00 0.00 N ATOM 866 CA GLU A 56 -12.330 -11.822 11.851 1.00 0.00 C ATOM 867 C GLU A 56 -11.415 -11.832 13.076 1.00 0.00 C ATOM 868 O GLU A 56 -10.920 -12.859 13.496 1.00 0.00 O ATOM 869 CB GLU A 56 -11.517 -11.660 10.565 1.00 0.00 C ATOM 870 CG GLU A 56 -12.459 -11.690 9.359 1.00 0.00 C ATOM 871 CD GLU A 56 -11.639 -11.633 8.070 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.441 -11.424 8.162 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.223 -11.799 7.011 1.00 0.00 O ATOM 0 H GLU A 56 -13.212 -10.031 11.087 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.891 -12.757 11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.966 -10.720 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.780 -12.459 10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.063 -12.597 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.148 -10.847 9.402 1.00 0.00 H new ATOM 880 N LEU A 57 -11.212 -10.680 13.665 1.00 0.00 N ATOM 881 CA LEU A 57 -10.355 -10.591 14.882 1.00 0.00 C ATOM 882 C LEU A 57 -11.184 -10.950 16.117 1.00 0.00 C ATOM 883 O LEU A 57 -10.748 -10.792 17.242 1.00 0.00 O ATOM 884 CB LEU A 57 -9.904 -9.129 14.954 1.00 0.00 C ATOM 885 CG LEU A 57 -9.111 -8.763 13.698 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.901 -7.250 13.660 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.751 -9.460 13.726 1.00 0.00 C ATOM 0 H LEU A 57 -11.607 -9.793 13.351 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.506 -11.273 14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.772 -8.476 15.049 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.289 -8.973 15.840 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.663 -9.083 12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.336 -6.983 12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.869 -6.749 13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.348 -6.937 14.546 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.189 -9.197 12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.197 -9.141 14.609 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.896 -10.540 13.759 1.00 0.00 H new ATOM 899 N LYS A 58 -12.382 -11.430 15.911 1.00 0.00 N ATOM 900 CA LYS A 58 -13.255 -11.802 17.060 1.00 0.00 C ATOM 901 C LYS A 58 -12.435 -12.479 18.163 1.00 0.00 C ATOM 902 O LYS A 58 -12.505 -12.083 19.309 1.00 0.00 O ATOM 903 CB LYS A 58 -14.285 -12.770 16.464 1.00 0.00 C ATOM 904 CG LYS A 58 -14.712 -13.799 17.515 1.00 0.00 C ATOM 905 CD LYS A 58 -15.570 -14.878 16.849 1.00 0.00 C ATOM 906 CE LYS A 58 -16.905 -14.998 17.587 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.917 -15.191 16.511 1.00 0.00 N ATOM 0 H LYS A 58 -12.794 -11.581 14.990 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.728 -10.936 17.523 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.155 -12.216 16.112 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.860 -13.278 15.599 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.834 -14.250 17.976 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.275 -13.311 18.311 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.742 -14.626 15.803 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.047 -15.834 16.864 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.900 -15.839 18.281 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.115 -14.103 18.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.862 -15.282 16.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.903 -14.372 15.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.694 -16.054 15.975 1.00 0.00 H new ATOM 921 N PRO A 59 -11.679 -13.480 17.789 1.00 0.00 N ATOM 922 CA PRO A 59 -10.848 -14.201 18.776 1.00 0.00 C ATOM 923 C PRO A 59 -9.940 -13.226 19.529 1.00 0.00 C ATOM 924 O PRO A 59 -9.761 -13.336 20.726 1.00 0.00 O ATOM 925 CB PRO A 59 -10.043 -15.166 17.899 1.00 0.00 C ATOM 926 CG PRO A 59 -10.463 -14.963 16.430 1.00 0.00 C ATOM 927 CD PRO A 59 -11.608 -13.942 16.381 1.00 0.00 C ATOM 0 HA PRO A 59 -11.423 -14.712 19.548 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.975 -14.982 18.016 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.224 -16.196 18.205 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.617 -14.610 15.841 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.782 -15.910 15.994 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.394 -13.123 15.694 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.544 -14.395 16.054 1.00 0.00 H new ATOM 935 N LEU A 60 -9.358 -12.273 18.848 1.00 0.00 N ATOM 936 CA LEU A 60 -8.464 -11.309 19.547 1.00 0.00 C ATOM 937 C LEU A 60 -9.251 -10.512 20.590 1.00 0.00 C ATOM 938 O LEU A 60 -8.746 -10.184 21.644 1.00 0.00 O ATOM 939 CB LEU A 60 -7.940 -10.385 18.447 1.00 0.00 C ATOM 940 CG LEU A 60 -6.796 -11.077 17.705 1.00 0.00 C ATOM 941 CD1 LEU A 60 -7.369 -11.991 16.620 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.897 -10.021 17.056 1.00 0.00 C ATOM 0 H LEU A 60 -9.463 -12.123 17.845 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.655 -11.810 20.079 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.742 -10.138 17.752 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.593 -9.447 18.880 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.213 -11.670 18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.553 -12.484 16.091 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.011 -12.743 17.079 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.952 -11.398 15.915 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.081 -10.513 16.527 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.481 -9.429 16.352 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.488 -9.368 17.827 1.00 0.00 H new ATOM 954 N CYS A 61 -10.486 -10.199 20.309 1.00 0.00 N ATOM 955 CA CYS A 61 -11.295 -9.424 21.292 1.00 0.00 C ATOM 956 C CYS A 61 -11.565 -10.262 22.545 1.00 0.00 C ATOM 957 O CYS A 61 -11.741 -9.739 23.628 1.00 0.00 O ATOM 958 CB CYS A 61 -12.604 -9.110 20.567 1.00 0.00 C ATOM 959 SG CYS A 61 -12.268 -8.034 19.152 1.00 0.00 S ATOM 0 H CYS A 61 -10.969 -10.445 19.445 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.782 -8.521 21.623 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.076 -10.033 20.231 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.302 -8.624 21.249 1.00 0.00 H new ATOM 964 N LYS A 62 -11.607 -11.559 22.408 1.00 0.00 N ATOM 965 CA LYS A 62 -11.878 -12.424 23.591 1.00 0.00 C ATOM 966 C LYS A 62 -10.601 -12.644 24.409 1.00 0.00 C ATOM 967 O LYS A 62 -10.624 -13.277 25.446 1.00 0.00 O ATOM 968 CB LYS A 62 -12.373 -13.747 23.005 1.00 0.00 C ATOM 969 CG LYS A 62 -13.678 -13.509 22.243 1.00 0.00 C ATOM 970 CD LYS A 62 -14.233 -14.847 21.750 1.00 0.00 C ATOM 971 CE LYS A 62 -15.473 -14.598 20.890 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.715 -15.888 20.185 1.00 0.00 N ATOM 0 H LYS A 62 -11.466 -12.057 21.529 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.605 -11.974 24.267 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.620 -14.166 22.337 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.532 -14.474 23.802 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.405 -13.018 22.890 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.502 -12.843 21.398 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.476 -15.376 21.171 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.487 -15.482 22.598 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.329 -14.316 21.503 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.307 -13.786 20.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.738 -16.030 20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.255 -15.866 19.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.321 -16.670 20.747 1.00 0.00 H new ATOM 986 N GLU A 63 -9.487 -12.131 23.960 1.00 0.00 N ATOM 987 CA GLU A 63 -8.225 -12.322 24.732 1.00 0.00 C ATOM 988 C GLU A 63 -7.571 -10.967 25.030 1.00 0.00 C ATOM 989 O GLU A 63 -7.671 -10.045 24.243 1.00 0.00 O ATOM 990 CB GLU A 63 -7.325 -13.168 23.828 1.00 0.00 C ATOM 991 CG GLU A 63 -7.059 -12.418 22.523 1.00 0.00 C ATOM 992 CD GLU A 63 -6.461 -13.379 21.494 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.995 -14.466 21.347 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.481 -13.011 20.868 1.00 0.00 O ATOM 0 H GLU A 63 -9.396 -11.592 23.099 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.402 -12.805 25.693 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.384 -13.383 24.334 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.801 -14.126 23.618 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.986 -11.991 22.141 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.375 -11.588 22.701 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.924 -10.891 26.165 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.246 -9.642 26.586 1.00 0.00 C ATOM 1003 C PRO A 64 -5.118 -9.275 25.616 1.00 0.00 C ATOM 1004 O PRO A 64 -4.520 -8.222 25.717 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.684 -10.012 27.962 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.064 -11.471 28.277 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.839 -12.049 27.086 1.00 0.00 C ATOM 0 HA PRO A 64 -6.908 -8.776 26.605 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.600 -9.894 27.971 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.084 -9.345 28.725 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.168 -12.062 28.466 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.672 -11.516 29.180 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.316 -12.891 26.632 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.826 -12.407 27.379 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.818 -10.133 24.680 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.726 -9.825 23.713 1.00 0.00 C ATOM 1017 C ASN A 65 -4.239 -8.880 22.620 1.00 0.00 C ATOM 1018 O ASN A 65 -3.476 -8.185 21.982 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.335 -11.176 23.114 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.862 -12.110 24.230 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.158 -11.694 25.128 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -3.222 -13.364 24.211 1.00 0.00 N ATOM 0 H ASN A 65 -5.280 -11.032 24.543 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.879 -9.330 24.189 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.186 -11.615 22.594 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.544 -11.044 22.376 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.912 -13.995 24.950 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.813 -13.713 23.457 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.524 -8.854 22.402 1.00 0.00 N ATOM 1030 CA ALA A 66 -6.085 -7.957 21.351 1.00 0.00 C ATOM 1031 C ALA A 66 -5.502 -6.547 21.485 1.00 0.00 C ATOM 1032 O ALA A 66 -5.206 -5.892 20.506 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.591 -7.935 21.611 1.00 0.00 C ATOM 0 H ALA A 66 -6.211 -9.415 22.906 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.846 -8.305 20.346 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.078 -7.294 20.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.989 -8.947 21.530 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.782 -7.549 22.612 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.336 -6.075 22.689 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.776 -4.708 22.882 1.00 0.00 C ATOM 1041 C GLN A 67 -3.362 -4.627 22.301 1.00 0.00 C ATOM 1042 O GLN A 67 -2.997 -3.658 21.666 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.747 -4.502 24.395 1.00 0.00 C ATOM 1044 CG GLN A 67 -6.180 -4.482 24.934 1.00 0.00 C ATOM 1045 CD GLN A 67 -6.152 -4.279 26.450 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -5.125 -4.444 27.078 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -7.245 -3.927 27.068 1.00 0.00 N ATOM 0 H GLN A 67 -5.564 -6.576 23.548 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.369 -3.945 22.378 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.179 -5.301 24.871 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.243 -3.566 24.636 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.747 -3.681 24.460 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.684 -5.417 24.691 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.107 -3.789 26.541 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.238 -3.790 28.079 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.565 -5.640 22.507 1.00 0.00 N ATOM 1057 CA GLU A 68 -1.177 -5.619 21.960 1.00 0.00 C ATOM 1058 C GLU A 68 -1.189 -6.001 20.477 1.00 0.00 C ATOM 1059 O GLU A 68 -0.452 -5.457 19.678 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.414 -6.660 22.777 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.371 -6.225 24.243 1.00 0.00 C ATOM 1062 CD GLU A 68 0.416 -7.254 25.058 1.00 0.00 C ATOM 1063 OE1 GLU A 68 0.710 -8.308 24.519 1.00 0.00 O ATOM 1064 OE2 GLU A 68 0.710 -6.970 26.208 1.00 0.00 O ATOM 0 H GLU A 68 -2.814 -6.480 23.029 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.719 -4.632 22.030 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.898 -7.633 22.689 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.599 -6.771 22.390 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.096 -5.244 24.329 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.384 -6.132 24.636 1.00 0.00 H new ATOM 1071 N ILE A 69 -2.019 -6.937 20.105 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.078 -7.361 18.677 1.00 0.00 C ATOM 1073 C ILE A 69 -2.582 -6.214 17.798 1.00 0.00 C ATOM 1074 O ILE A 69 -2.107 -6.008 16.699 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.068 -8.525 18.645 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.530 -9.680 19.493 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.254 -8.995 17.200 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.593 -10.778 19.593 1.00 0.00 C ATOM 0 H ILE A 69 -2.660 -7.427 20.729 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.097 -7.646 18.297 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.026 -8.197 19.048 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.620 -10.080 19.046 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.266 -9.322 20.488 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.960 -9.825 17.175 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.639 -8.173 16.597 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.295 -9.322 16.797 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.210 -11.601 20.197 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.491 -10.373 20.059 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.835 -11.142 18.595 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.543 -5.469 18.269 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.078 -4.343 17.454 1.00 0.00 C ATOM 1092 C LEU A 70 -2.952 -3.380 17.065 1.00 0.00 C ATOM 1093 O LEU A 70 -2.784 -3.045 15.910 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.098 -3.644 18.353 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.679 -2.429 17.623 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.748 -1.229 17.811 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.811 -2.742 16.130 1.00 0.00 C ATOM 0 H LEU A 70 -3.981 -5.591 19.182 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.528 -4.691 16.524 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.896 -4.336 18.621 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.623 -3.330 19.283 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.662 -2.196 18.033 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.160 -0.364 17.292 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.654 -1.004 18.873 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.765 -1.463 17.402 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.225 -1.877 15.612 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.829 -2.976 15.719 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.474 -3.597 15.995 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.176 -2.935 18.016 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.065 -1.997 17.685 1.00 0.00 C ATOM 1111 C GLN A 71 -0.242 -2.547 16.520 1.00 0.00 C ATOM 1112 O GLN A 71 -0.049 -1.887 15.517 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.212 -1.930 18.951 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.036 -1.337 20.094 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.166 -1.240 21.350 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.918 -1.790 21.394 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.596 -0.562 22.378 1.00 0.00 N ATOM 0 H GLN A 71 -2.262 -3.179 19.003 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.430 -1.015 17.385 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.137 -2.927 19.220 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.674 -1.320 18.773 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.405 -0.350 19.817 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.909 -1.960 20.290 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.505 -0.101 22.341 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.023 -0.493 23.219 1.00 0.00 H new ATOM 1126 N ARG A 72 0.246 -3.750 16.646 1.00 0.00 N ATOM 1127 CA ARG A 72 1.058 -4.344 15.546 1.00 0.00 C ATOM 1128 C ARG A 72 0.297 -4.253 14.222 1.00 0.00 C ATOM 1129 O ARG A 72 0.794 -3.729 13.245 1.00 0.00 O ATOM 1130 CB ARG A 72 1.267 -5.803 15.953 1.00 0.00 C ATOM 1131 CG ARG A 72 2.204 -5.865 17.162 1.00 0.00 C ATOM 1132 CD ARG A 72 2.696 -7.301 17.354 1.00 0.00 C ATOM 1133 NE ARG A 72 1.461 -8.098 17.595 1.00 0.00 N ATOM 1134 CZ ARG A 72 1.342 -9.290 17.077 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.408 -9.981 16.778 1.00 0.00 N ATOM 1136 NH2 ARG A 72 0.157 -9.791 16.860 1.00 0.00 N ATOM 0 H ARG A 72 0.118 -4.348 17.463 1.00 0.00 H new ATOM 0 HA ARG A 72 2.005 -3.825 15.401 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.310 -6.265 16.197 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.690 -6.367 15.122 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.052 -5.196 17.013 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.683 -5.525 18.057 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.231 -7.657 16.473 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.384 -7.374 18.196 1.00 0.00 H new ATOM 0 HE ARG A 72 0.708 -7.712 18.165 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.334 -9.589 16.949 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.315 -10.913 16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.676 -9.251 17.095 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.063 -10.723 16.455 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.908 -4.756 14.182 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.699 -4.692 12.920 1.00 0.00 C ATOM 1152 C LEU A 73 -1.657 -3.272 12.351 1.00 0.00 C ATOM 1153 O LEU A 73 -1.361 -3.068 11.191 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.124 -5.066 13.323 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.149 -6.510 13.829 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.598 -6.949 14.039 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.483 -7.423 12.797 1.00 0.00 C ATOM 0 H LEU A 73 -1.377 -5.207 14.967 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.309 -5.359 12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.483 -4.391 14.100 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.795 -4.956 12.471 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.609 -6.575 14.773 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.618 -7.977 14.399 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.073 -6.298 14.773 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.138 -6.885 13.094 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.500 -8.452 13.157 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.023 -7.360 11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.450 -7.109 12.646 1.00 0.00 H new ATOM 1169 N GLU A 74 -1.948 -2.289 13.159 1.00 0.00 N ATOM 1170 CA GLU A 74 -1.919 -0.886 12.661 1.00 0.00 C ATOM 1171 C GLU A 74 -0.563 -0.579 12.017 1.00 0.00 C ATOM 1172 O GLU A 74 -0.493 -0.098 10.903 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.129 -0.017 13.901 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.478 -0.354 14.542 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.587 -0.222 13.497 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.657 0.819 12.863 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.348 -1.164 13.348 1.00 0.00 O ATOM 0 H GLU A 74 -2.204 -2.397 14.140 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.680 -0.705 11.902 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.323 -0.185 14.616 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.098 1.038 13.628 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.459 -1.368 14.942 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.672 0.316 15.380 1.00 0.00 H new ATOM 1184 N GLU A 75 0.517 -0.843 12.707 1.00 0.00 N ATOM 1185 CA GLU A 75 1.863 -0.555 12.130 1.00 0.00 C ATOM 1186 C GLU A 75 2.023 -1.242 10.771 1.00 0.00 C ATOM 1187 O GLU A 75 2.289 -0.603 9.771 1.00 0.00 O ATOM 1188 CB GLU A 75 2.856 -1.129 13.141 1.00 0.00 C ATOM 1189 CG GLU A 75 4.281 -0.760 12.726 1.00 0.00 C ATOM 1190 CD GLU A 75 5.276 -1.409 13.691 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.830 -2.098 14.594 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.465 -1.205 13.511 1.00 0.00 O ATOM 0 H GLU A 75 0.524 -1.245 13.644 1.00 0.00 H new ATOM 0 HA GLU A 75 2.018 0.511 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.644 -0.739 14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.751 -2.213 13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.473 -1.096 11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.405 0.323 12.733 1.00 0.00 H new ATOM 1199 N ILE A 76 1.859 -2.535 10.721 1.00 0.00 N ATOM 1200 CA ILE A 76 1.998 -3.245 9.418 1.00 0.00 C ATOM 1201 C ILE A 76 0.988 -2.679 8.419 1.00 0.00 C ATOM 1202 O ILE A 76 1.258 -2.566 7.241 1.00 0.00 O ATOM 1203 CB ILE A 76 1.696 -4.712 9.722 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.771 -5.268 10.659 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.695 -5.514 8.418 1.00 0.00 C ATOM 1206 CD1 ILE A 76 2.598 -6.783 10.793 1.00 0.00 C ATOM 0 H ILE A 76 1.636 -3.128 11.520 1.00 0.00 H new ATOM 0 HA ILE A 76 2.989 -3.127 8.980 1.00 0.00 H new ATOM 0 HB ILE A 76 0.719 -4.791 10.198 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.763 -5.038 10.269 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.695 -4.795 11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.480 -6.560 8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.932 -5.118 7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.672 -5.436 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.364 -7.179 11.460 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.612 -7.002 11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.695 -7.248 9.812 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.170 -2.308 8.890 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.195 -1.735 7.974 1.00 0.00 C ATOM 1220 C ALA A 77 -0.623 -0.500 7.274 1.00 0.00 C ATOM 1221 O ALA A 77 -0.920 -0.228 6.131 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.366 -1.349 8.878 1.00 0.00 C ATOM 0 H ALA A 77 -0.451 -2.377 9.868 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.502 -2.435 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.165 -0.918 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.737 -2.236 9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.032 -0.618 9.614 1.00 0.00 H new ATOM 1228 N GLU A 78 0.198 0.248 7.957 1.00 0.00 N ATOM 1229 CA GLU A 78 0.792 1.464 7.331 1.00 0.00 C ATOM 1230 C GLU A 78 1.612 1.075 6.098 1.00 0.00 C ATOM 1231 O GLU A 78 1.579 1.743 5.083 1.00 0.00 O ATOM 1232 CB GLU A 78 1.694 2.063 8.409 1.00 0.00 C ATOM 1233 CG GLU A 78 2.226 3.417 7.935 1.00 0.00 C ATOM 1234 CD GLU A 78 1.081 4.431 7.901 1.00 0.00 C ATOM 1235 OE1 GLU A 78 0.121 4.235 8.628 1.00 0.00 O ATOM 1236 OE2 GLU A 78 1.185 5.386 7.149 1.00 0.00 O ATOM 0 H GLU A 78 0.484 0.071 8.920 1.00 0.00 H new ATOM 0 HA GLU A 78 0.033 2.171 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.137 2.184 9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.523 1.388 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.014 3.764 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.669 3.319 6.944 1.00 0.00 H new ATOM 1243 N ASP A 79 2.349 -0.001 6.177 1.00 0.00 N ATOM 1244 CA ASP A 79 3.171 -0.428 5.008 1.00 0.00 C ATOM 1245 C ASP A 79 3.286 -1.955 4.973 1.00 0.00 C ATOM 1246 O ASP A 79 3.194 -2.607 5.994 1.00 0.00 O ATOM 1247 CB ASP A 79 4.544 0.206 5.235 1.00 0.00 C ATOM 1248 CG ASP A 79 4.842 1.199 4.109 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.023 2.074 3.886 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.885 1.065 3.490 1.00 0.00 O ATOM 0 H ASP A 79 2.417 -0.601 6.999 1.00 0.00 H new ATOM 0 HA ASP A 79 2.731 -0.119 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.566 0.715 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.312 -0.567 5.265 1.00 0.00 H new ATOM 1255 N PRO A 80 3.488 -2.475 3.793 1.00 0.00 N ATOM 1256 CA PRO A 80 3.620 -3.940 3.612 1.00 0.00 C ATOM 1257 C PRO A 80 4.781 -4.483 4.449 1.00 0.00 C ATOM 1258 O PRO A 80 4.598 -5.334 5.297 1.00 0.00 O ATOM 1259 CB PRO A 80 3.907 -4.068 2.113 1.00 0.00 C ATOM 1260 CG PRO A 80 3.925 -2.656 1.490 1.00 0.00 C ATOM 1261 CD PRO A 80 3.599 -1.629 2.581 1.00 0.00 C ATOM 0 HA PRO A 80 2.743 -4.504 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.864 -4.564 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.145 -4.683 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.903 -2.448 1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.197 -2.591 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.384 -0.879 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.672 -1.095 2.372 1.00 0.00 H new ATOM 1269 N GLY A 81 5.972 -4.005 4.220 1.00 0.00 N ATOM 1270 CA GLY A 81 7.131 -4.506 5.006 1.00 0.00 C ATOM 1271 C GLY A 81 7.594 -5.839 4.420 1.00 0.00 C ATOM 1272 O GLY A 81 7.650 -6.014 3.219 1.00 0.00 O ATOM 0 H GLY A 81 6.192 -3.292 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.945 -3.781 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.850 -4.632 6.052 1.00 0.00 H new ATOM 1276 N THR A 82 7.924 -6.780 5.257 1.00 0.00 N ATOM 1277 CA THR A 82 8.381 -8.103 4.744 1.00 0.00 C ATOM 1278 C THR A 82 7.173 -8.974 4.388 1.00 0.00 C ATOM 1279 O THR A 82 7.274 -9.911 3.621 1.00 0.00 O ATOM 1280 CB THR A 82 9.171 -8.723 5.897 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.297 -8.963 6.993 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.282 -7.765 6.328 1.00 0.00 C ATOM 0 H THR A 82 7.898 -6.692 6.273 1.00 0.00 H new ATOM 0 HA THR A 82 8.985 -8.012 3.841 1.00 0.00 H new ATOM 0 HB THR A 82 9.612 -9.665 5.571 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.823 -9.195 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.845 -8.207 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.951 -7.582 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.843 -6.822 6.655 1.00 0.00 H new ATOM 1290 N CYS A 83 6.031 -8.673 4.940 1.00 0.00 N ATOM 1291 CA CYS A 83 4.824 -9.490 4.633 1.00 0.00 C ATOM 1292 C CYS A 83 4.588 -9.533 3.120 1.00 0.00 C ATOM 1293 O CYS A 83 4.458 -10.587 2.531 1.00 0.00 O ATOM 1294 CB CYS A 83 3.670 -8.778 5.340 1.00 0.00 C ATOM 1295 SG CYS A 83 2.152 -9.743 5.142 1.00 0.00 S ATOM 0 H CYS A 83 5.881 -7.900 5.588 1.00 0.00 H new ATOM 0 HA CYS A 83 4.927 -10.522 4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.899 -8.654 6.398 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.535 -7.780 4.924 1.00 0.00 H new ATOM 1300 N GLU A 84 4.523 -8.393 2.491 1.00 0.00 N ATOM 1301 CA GLU A 84 4.281 -8.365 1.019 1.00 0.00 C ATOM 1302 C GLU A 84 5.394 -9.095 0.260 1.00 0.00 C ATOM 1303 O GLU A 84 5.177 -9.612 -0.818 1.00 0.00 O ATOM 1304 CB GLU A 84 4.273 -6.883 0.650 1.00 0.00 C ATOM 1305 CG GLU A 84 3.894 -6.729 -0.825 1.00 0.00 C ATOM 1306 CD GLU A 84 3.977 -5.255 -1.224 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.343 -4.453 -0.382 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.675 -4.953 -2.368 1.00 0.00 O ATOM 0 H GLU A 84 4.627 -7.479 2.931 1.00 0.00 H new ATOM 0 HA GLU A 84 3.349 -8.866 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.563 -6.344 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.255 -6.446 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.564 -7.323 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.885 -7.106 -0.993 1.00 0.00 H new ATOM 1315 N ILE A 85 6.584 -9.141 0.796 1.00 0.00 N ATOM 1316 CA ILE A 85 7.687 -9.839 0.073 1.00 0.00 C ATOM 1317 C ILE A 85 7.881 -11.250 0.636 1.00 0.00 C ATOM 1318 O ILE A 85 8.866 -11.907 0.367 1.00 0.00 O ATOM 1319 CB ILE A 85 8.931 -8.977 0.308 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.387 -9.114 1.760 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.597 -7.512 0.018 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.453 -8.058 2.059 1.00 0.00 C ATOM 0 H ILE A 85 6.839 -8.730 1.694 1.00 0.00 H new ATOM 0 HA ILE A 85 7.476 -9.955 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 85 9.730 -9.310 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.538 -8.991 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.789 -10.112 1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.481 -6.897 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.275 -7.411 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.796 -7.183 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.780 -8.154 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.305 -8.203 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.035 -7.064 1.901 1.00 0.00 H new ATOM 1334 N CYS A 86 6.943 -11.720 1.412 1.00 0.00 N ATOM 1335 CA CYS A 86 7.065 -13.090 1.989 1.00 0.00 C ATOM 1336 C CYS A 86 8.380 -13.232 2.760 1.00 0.00 C ATOM 1337 O CYS A 86 8.817 -14.325 3.061 1.00 0.00 O ATOM 1338 CB CYS A 86 7.048 -14.028 0.781 1.00 0.00 C ATOM 1339 SG CYS A 86 5.809 -15.322 1.039 1.00 0.00 S ATOM 0 H CYS A 86 6.096 -11.214 1.672 1.00 0.00 H new ATOM 0 HA CYS A 86 6.263 -13.312 2.693 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.820 -13.467 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.032 -14.475 0.640 1.00 0.00 H new ATOM 1344 N ALA A 87 9.013 -12.139 3.086 1.00 0.00 N ATOM 1345 CA ALA A 87 10.296 -12.222 3.842 1.00 0.00 C ATOM 1346 C ALA A 87 10.037 -12.758 5.252 1.00 0.00 C ATOM 1347 O ALA A 87 10.942 -13.170 5.949 1.00 0.00 O ATOM 1348 CB ALA A 87 10.820 -10.787 3.897 1.00 0.00 C ATOM 0 H ALA A 87 8.699 -11.194 2.863 1.00 0.00 H new ATOM 0 HA ALA A 87 11.013 -12.895 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.765 -10.765 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.975 -10.417 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.094 -10.154 4.407 1.00 0.00 H new ATOM 1354 N TYR A 88 8.802 -12.756 5.674 1.00 0.00 N ATOM 1355 CA TYR A 88 8.475 -13.266 7.036 1.00 0.00 C ATOM 1356 C TYR A 88 7.155 -14.043 7.003 1.00 0.00 C ATOM 1357 O TYR A 88 6.436 -14.023 6.025 1.00 0.00 O ATOM 1358 CB TYR A 88 8.338 -12.016 7.905 1.00 0.00 C ATOM 1359 CG TYR A 88 9.452 -11.986 8.925 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.777 -11.812 8.509 1.00 0.00 C ATOM 1361 CD2 TYR A 88 9.160 -12.133 10.286 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.809 -11.782 9.453 1.00 0.00 C ATOM 1363 CE2 TYR A 88 10.192 -12.104 11.231 1.00 0.00 C ATOM 1364 CZ TYR A 88 11.517 -11.929 10.814 1.00 0.00 C ATOM 1365 OH TYR A 88 12.535 -11.901 11.746 1.00 0.00 O ATOM 0 H TYR A 88 8.004 -12.423 5.133 1.00 0.00 H new ATOM 0 HA TYR A 88 9.237 -13.946 7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.376 -11.122 7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.371 -12.014 8.407 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.003 -11.701 7.459 1.00 0.00 H new ATOM 0 HD2 TYR A 88 8.138 -12.269 10.607 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.831 -11.645 9.132 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.966 -12.217 12.281 1.00 0.00 H new ATOM 0 HH TYR A 88 12.160 -12.016 12.644 1.00 0.00 H new ATOM 1375 N ALA A 89 6.834 -14.730 8.064 1.00 0.00 N ATOM 1376 CA ALA A 89 5.562 -15.508 8.090 1.00 0.00 C ATOM 1377 C ALA A 89 4.371 -14.567 8.296 1.00 0.00 C ATOM 1378 O ALA A 89 3.240 -14.996 8.408 1.00 0.00 O ATOM 1379 CB ALA A 89 5.706 -16.463 9.275 1.00 0.00 C ATOM 0 H ALA A 89 7.396 -14.787 8.913 1.00 0.00 H new ATOM 0 HA ALA A 89 5.385 -16.043 7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.807 -17.073 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.569 -17.109 9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.844 -15.888 10.191 1.00 0.00 H new ATOM 1385 N ALA A 90 4.617 -13.286 8.351 1.00 0.00 N ATOM 1386 CA ALA A 90 3.501 -12.318 8.553 1.00 0.00 C ATOM 1387 C ALA A 90 2.514 -12.388 7.385 1.00 0.00 C ATOM 1388 O ALA A 90 1.322 -12.222 7.558 1.00 0.00 O ATOM 1389 CB ALA A 90 4.171 -10.945 8.602 1.00 0.00 C ATOM 0 H ALA A 90 5.543 -12.868 8.265 1.00 0.00 H new ATOM 0 HA ALA A 90 2.934 -12.531 9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.413 -10.175 8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.882 -10.916 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.696 -10.763 7.664 1.00 0.00 H new ATOM 1395 N CYS A 91 2.998 -12.626 6.196 1.00 0.00 N ATOM 1396 CA CYS A 91 2.081 -12.695 5.022 1.00 0.00 C ATOM 1397 C CYS A 91 1.846 -14.147 4.603 1.00 0.00 C ATOM 1398 O CYS A 91 2.771 -14.878 4.307 1.00 0.00 O ATOM 1399 CB CYS A 91 2.799 -11.936 3.910 1.00 0.00 C ATOM 1400 SG CYS A 91 1.804 -10.507 3.417 1.00 0.00 S ATOM 0 H CYS A 91 3.985 -12.775 5.987 1.00 0.00 H new ATOM 0 HA CYS A 91 1.103 -12.269 5.248 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.780 -11.609 4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.963 -12.591 3.055 1.00 0.00 H new ATOM 1405 N THR A 92 0.612 -14.566 4.568 1.00 0.00 N ATOM 1406 CA THR A 92 0.310 -15.968 4.160 1.00 0.00 C ATOM 1407 C THR A 92 -0.410 -15.970 2.810 1.00 0.00 C ATOM 1408 O THR A 92 -1.044 -15.004 2.434 1.00 0.00 O ATOM 1409 CB THR A 92 -0.598 -16.512 5.260 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.886 -15.922 5.146 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.001 -16.173 6.625 1.00 0.00 C ATOM 0 H THR A 92 -0.202 -13.998 4.804 1.00 0.00 H new ATOM 0 HA THR A 92 1.208 -16.574 4.044 1.00 0.00 H new ATOM 0 HB THR A 92 -0.686 -17.594 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.470 -16.272 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.646 -16.560 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.989 -16.625 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.087 -15.091 6.726 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.313 -17.042 2.073 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.986 -17.094 0.746 1.00 0.00 C ATOM 1421 C GLY A 93 -0.025 -16.578 -0.326 1.00 0.00 C ATOM 1422 O GLY A 93 -0.395 -15.808 -1.191 1.00 0.00 O ATOM 0 H GLY A 93 0.203 -17.883 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.289 -18.116 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.892 -16.489 0.761 1.00 0.00 H new ATOM 1426 N CYS A 94 1.209 -16.998 -0.274 1.00 0.00 N ATOM 1427 CA CYS A 94 2.201 -16.535 -1.287 1.00 0.00 C ATOM 1428 C CYS A 94 1.623 -16.674 -2.698 1.00 0.00 C ATOM 1429 O CYS A 94 1.789 -17.730 -3.284 1.00 0.00 O ATOM 1430 CB CYS A 94 3.406 -17.458 -1.109 1.00 0.00 C ATOM 1431 SG CYS A 94 4.598 -16.684 0.013 1.00 0.00 S ATOM 1432 OXT CYS A 94 1.024 -15.719 -3.168 1.00 0.00 O ATOM 0 H CYS A 94 1.574 -17.643 0.427 1.00 0.00 H new ATOM 0 HA CYS A 94 2.466 -15.486 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.085 -18.420 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.873 -17.654 -2.074 1.00 0.00 H new TER 1437 CYS A 94