USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 90 THR OG1 : rot 150:sc= 0.436 USER MOD Set 1.2: A 93 LYS NZ :NH3+ -125:sc= 0.543 (180deg=-1.41!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 5 ASN : amide:sc= -2.03! C(o=-2!,f=-4.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0361 (180deg=-0.409) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -4.68! C(o=-4.7!,f=-4.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -134:sc= 1.68 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 25:sc= 0.832! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.196 K(o=-0.2,f=-0.82) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -63:sc= 0.963 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 66:sc= 0.287 USER MOD Single : A 61 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0659 USER MOD Single : A 70 GLN : amide:sc= -0.195 K(o=-0.19,f=-0.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : A 83 ASN : amide:sc= -4.31 K(o=-4.3,f=-5.2!) USER MOD Single : A 87 ASN : amide:sc= -2.05! C(o=-2.1!,f=-4.1!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.477 K(o=-0.48,f=-2.2!) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -0.0448 (180deg=-0.442) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 8.140 14.774 -16.523 1.00 0.00 N ATOM 2 CA ALA A 2 8.036 13.960 -15.280 1.00 0.00 C ATOM 3 C ALA A 2 7.310 14.763 -14.207 1.00 0.00 C ATOM 4 O ALA A 2 7.085 15.964 -14.362 1.00 0.00 O ATOM 5 CB ALA A 2 9.442 13.594 -14.796 1.00 0.00 C ATOM 0 HA ALA A 2 7.476 13.047 -15.483 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.370 12.998 -13.886 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.954 13.018 -15.567 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.004 14.505 -14.590 1.00 0.00 H new ATOM 13 N LEU A 3 6.948 14.095 -13.116 1.00 0.00 N ATOM 14 CA LEU A 3 6.247 14.757 -12.019 1.00 0.00 C ATOM 15 C LEU A 3 4.986 15.446 -12.529 1.00 0.00 C ATOM 16 O LEU A 3 4.311 16.157 -11.783 1.00 0.00 O ATOM 17 CB LEU A 3 7.171 15.791 -11.358 1.00 0.00 C ATOM 18 CG LEU A 3 8.140 15.084 -10.407 1.00 0.00 C ATOM 19 CD1 LEU A 3 8.962 14.051 -11.183 1.00 0.00 C ATOM 20 CD2 LEU A 3 9.078 16.119 -9.778 1.00 0.00 C ATOM 0 H LEU A 3 7.127 13.102 -12.967 1.00 0.00 H new ATOM 0 HA LEU A 3 5.962 14.004 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.727 16.336 -12.121 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.579 16.524 -10.810 1.00 0.00 H new ATOM 0 HG LEU A 3 7.576 14.578 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.651 13.549 -10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.293 13.315 -11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.528 14.552 -11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.770 15.619 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.641 16.624 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.492 16.851 -9.223 1.00 0.00 H new ATOM 32 N GLN A 4 4.670 15.237 -13.805 1.00 0.00 N ATOM 33 CA GLN A 4 3.483 15.844 -14.412 1.00 0.00 C ATOM 34 C GLN A 4 2.701 14.807 -15.208 1.00 0.00 C ATOM 35 O GLN A 4 1.754 14.204 -14.699 1.00 0.00 O ATOM 36 CB GLN A 4 3.903 16.990 -15.332 1.00 0.00 C ATOM 37 CG GLN A 4 4.484 18.128 -14.493 1.00 0.00 C ATOM 38 CD GLN A 4 4.953 19.259 -15.402 1.00 0.00 C ATOM 39 OE1 GLN A 4 4.754 19.204 -16.615 1.00 0.00 O ATOM 40 NE2 GLN A 4 5.568 20.287 -14.884 1.00 0.00 N ATOM 0 H GLN A 4 5.216 14.654 -14.439 1.00 0.00 H new ATOM 0 HA GLN A 4 2.844 16.230 -13.618 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.643 16.640 -16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.045 17.346 -15.903 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.732 18.498 -13.797 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.318 17.761 -13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.732 20.330 -13.878 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.885 21.048 -15.485 1.00 0.00 H new ATOM 49 N ASN A 5 3.102 14.602 -16.460 1.00 0.00 N ATOM 50 CA ASN A 5 2.433 13.631 -17.325 1.00 0.00 C ATOM 51 C ASN A 5 3.149 12.287 -17.270 1.00 0.00 C ATOM 52 O ASN A 5 4.372 12.216 -17.399 1.00 0.00 O ATOM 53 CB ASN A 5 2.414 14.142 -18.766 1.00 0.00 C ATOM 54 CG ASN A 5 3.834 14.197 -19.321 1.00 0.00 C ATOM 55 OD1 ASN A 5 4.448 13.157 -19.565 1.00 0.00 O ATOM 56 ND2 ASN A 5 4.397 15.354 -19.537 1.00 0.00 N ATOM 0 H ASN A 5 3.882 15.092 -16.898 1.00 0.00 H new ATOM 0 HA ASN A 5 1.410 13.501 -16.973 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.799 13.488 -19.384 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.962 15.133 -18.803 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.346 15.398 -19.908 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.888 16.215 -19.335 1.00 0.00 H new ATOM 63 N LYS A 6 2.378 11.217 -17.075 1.00 0.00 N ATOM 64 CA LYS A 6 2.940 9.866 -17.002 1.00 0.00 C ATOM 65 C LYS A 6 2.187 8.923 -17.935 1.00 0.00 C ATOM 66 O LYS A 6 2.613 7.792 -18.169 1.00 0.00 O ATOM 67 CB LYS A 6 2.859 9.348 -15.564 1.00 0.00 C ATOM 68 CG LYS A 6 1.400 9.318 -15.108 1.00 0.00 C ATOM 69 CD LYS A 6 1.334 8.871 -13.648 1.00 0.00 C ATOM 70 CE LYS A 6 -0.124 8.839 -13.189 1.00 0.00 C ATOM 71 NZ LYS A 6 -0.186 8.409 -11.765 1.00 0.00 N ATOM 0 H LYS A 6 1.365 11.258 -16.965 1.00 0.00 H new ATOM 0 HA LYS A 6 3.984 9.905 -17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.290 8.349 -15.503 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.443 9.988 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.953 10.306 -15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.825 8.636 -15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.782 7.884 -13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.909 9.553 -13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.574 9.825 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.698 8.153 -13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.177 8.387 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.228 7.460 -11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.348 9.080 -11.176 1.00 0.00 H new ATOM 85 N GLU A 7 1.067 9.399 -18.471 1.00 0.00 N ATOM 86 CA GLU A 7 0.263 8.595 -19.383 1.00 0.00 C ATOM 87 C GLU A 7 0.988 8.397 -20.713 1.00 0.00 C ATOM 88 O GLU A 7 0.868 7.348 -21.347 1.00 0.00 O ATOM 89 CB GLU A 7 -1.088 9.270 -19.625 1.00 0.00 C ATOM 90 CG GLU A 7 -0.869 10.659 -20.228 1.00 0.00 C ATOM 91 CD GLU A 7 -2.207 11.370 -20.394 1.00 0.00 C ATOM 92 OE1 GLU A 7 -3.035 11.244 -19.507 1.00 0.00 O ATOM 93 OE2 GLU A 7 -2.384 12.030 -21.403 1.00 0.00 O ATOM 0 H GLU A 7 0.698 10.333 -18.290 1.00 0.00 H new ATOM 0 HA GLU A 7 0.101 7.618 -18.927 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.694 8.662 -20.297 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.638 9.352 -18.687 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.213 11.245 -19.584 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.372 10.571 -21.194 1.00 0.00 H new ATOM 100 N GLU A 8 1.735 9.415 -21.132 1.00 0.00 N ATOM 101 CA GLU A 8 2.471 9.343 -22.389 1.00 0.00 C ATOM 102 C GLU A 8 3.475 8.194 -22.363 1.00 0.00 C ATOM 103 O GLU A 8 3.568 7.417 -23.313 1.00 0.00 O ATOM 104 CB GLU A 8 3.211 10.661 -22.633 1.00 0.00 C ATOM 105 CG GLU A 8 2.202 11.789 -22.868 1.00 0.00 C ATOM 106 CD GLU A 8 1.458 11.561 -24.179 1.00 0.00 C ATOM 107 OE1 GLU A 8 1.978 10.838 -25.014 1.00 0.00 O ATOM 108 OE2 GLU A 8 0.382 12.115 -24.333 1.00 0.00 O ATOM 0 H GLU A 8 1.846 10.292 -20.624 1.00 0.00 H new ATOM 0 HA GLU A 8 1.758 9.167 -23.195 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.842 10.898 -21.776 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.869 10.564 -23.496 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.493 11.832 -22.041 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.718 12.749 -22.896 1.00 0.00 H new ATOM 115 N GLU A 9 4.220 8.089 -21.268 1.00 0.00 N ATOM 116 CA GLU A 9 5.211 7.025 -21.128 1.00 0.00 C ATOM 117 C GLU A 9 4.539 5.720 -20.716 1.00 0.00 C ATOM 118 O GLU A 9 5.150 4.653 -20.766 1.00 0.00 O ATOM 119 CB GLU A 9 6.256 7.422 -20.082 1.00 0.00 C ATOM 120 CG GLU A 9 5.573 7.632 -18.730 1.00 0.00 C ATOM 121 CD GLU A 9 6.584 8.128 -17.704 1.00 0.00 C ATOM 122 OE1 GLU A 9 7.414 8.947 -18.068 1.00 0.00 O ATOM 123 OE2 GLU A 9 6.516 7.683 -16.570 1.00 0.00 O ATOM 0 H GLU A 9 4.159 8.721 -20.470 1.00 0.00 H new ATOM 0 HA GLU A 9 5.701 6.877 -22.090 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.017 6.646 -20.000 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.765 8.336 -20.390 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.762 8.354 -18.832 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.127 6.697 -18.390 1.00 0.00 H new ATOM 130 N LYS A 10 3.279 5.815 -20.304 1.00 0.00 N ATOM 131 CA LYS A 10 2.532 4.637 -19.880 1.00 0.00 C ATOM 132 C LYS A 10 3.286 3.889 -18.785 1.00 0.00 C ATOM 133 O LYS A 10 4.431 4.214 -18.475 1.00 0.00 O ATOM 134 CB LYS A 10 2.302 3.701 -21.067 1.00 0.00 C ATOM 135 CG LYS A 10 1.377 4.380 -22.080 1.00 0.00 C ATOM 136 CD LYS A 10 0.971 3.377 -23.166 1.00 0.00 C ATOM 137 CE LYS A 10 2.191 2.991 -24.009 1.00 0.00 C ATOM 138 NZ LYS A 10 1.734 2.348 -25.273 1.00 0.00 N ATOM 0 H LYS A 10 2.757 6.690 -20.255 1.00 0.00 H new ATOM 0 HA LYS A 10 1.570 4.968 -19.488 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.253 3.452 -21.537 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.860 2.765 -20.725 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.490 4.763 -21.576 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.881 5.234 -22.531 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.540 2.487 -22.707 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.201 3.811 -23.804 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.787 3.876 -24.233 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.831 2.308 -23.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.560 2.085 -25.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.182 1.495 -25.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.140 3.014 -25.806 1.00 0.00 H new ATOM 152 N LYS A 11 2.635 2.887 -18.205 1.00 0.00 N ATOM 153 CA LYS A 11 3.253 2.101 -17.145 1.00 0.00 C ATOM 154 C LYS A 11 4.479 1.361 -17.673 1.00 0.00 C ATOM 155 O LYS A 11 5.505 1.293 -17.003 1.00 0.00 O ATOM 156 CB LYS A 11 2.248 1.093 -16.586 1.00 0.00 C ATOM 157 CG LYS A 11 1.114 1.839 -15.883 1.00 0.00 C ATOM 158 CD LYS A 11 0.115 0.832 -15.313 1.00 0.00 C ATOM 159 CE LYS A 11 -1.004 1.579 -14.585 1.00 0.00 C ATOM 160 NZ LYS A 11 -1.795 2.369 -15.570 1.00 0.00 N ATOM 0 H LYS A 11 1.687 2.602 -18.449 1.00 0.00 H new ATOM 0 HA LYS A 11 3.565 2.779 -16.351 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.848 0.477 -17.392 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.743 0.420 -15.886 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.515 2.461 -15.083 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.613 2.506 -16.585 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.302 0.223 -16.115 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.619 0.152 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.651 0.871 -14.066 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.582 2.240 -13.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.713 2.625 -15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.275 3.234 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.951 1.800 -16.426 1.00 0.00 H new ATOM 174 N LYS A 12 4.354 0.810 -18.879 1.00 0.00 N ATOM 175 CA LYS A 12 5.453 0.071 -19.496 1.00 0.00 C ATOM 176 C LYS A 12 5.960 -1.019 -18.555 1.00 0.00 C ATOM 177 O LYS A 12 5.601 -2.189 -18.694 1.00 0.00 O ATOM 178 CB LYS A 12 6.599 1.027 -19.838 1.00 0.00 C ATOM 179 CG LYS A 12 7.700 0.266 -20.580 1.00 0.00 C ATOM 180 CD LYS A 12 8.824 1.233 -20.956 1.00 0.00 C ATOM 181 CE LYS A 12 9.913 0.474 -21.712 1.00 0.00 C ATOM 182 NZ LYS A 12 11.022 1.410 -22.055 1.00 0.00 N ATOM 0 H LYS A 12 3.507 0.861 -19.446 1.00 0.00 H new ATOM 0 HA LYS A 12 5.085 -0.395 -20.410 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.230 1.846 -20.455 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.000 1.470 -18.927 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.090 -0.535 -19.952 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.293 -0.201 -21.477 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.432 2.041 -21.574 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.240 1.691 -20.059 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.290 -0.346 -21.102 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.501 0.033 -22.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.764 0.895 -22.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.656 2.178 -22.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.421 1.811 -21.182 1.00 0.00 H new ATOM 196 N VAL A 13 6.795 -0.630 -17.594 1.00 0.00 N ATOM 197 CA VAL A 13 7.351 -1.577 -16.627 1.00 0.00 C ATOM 198 C VAL A 13 6.581 -1.503 -15.315 1.00 0.00 C ATOM 199 O VAL A 13 6.465 -0.437 -14.707 1.00 0.00 O ATOM 200 CB VAL A 13 8.827 -1.259 -16.373 1.00 0.00 C ATOM 201 CG1 VAL A 13 8.964 0.151 -15.782 1.00 0.00 C ATOM 202 CG2 VAL A 13 9.403 -2.287 -15.392 1.00 0.00 C ATOM 0 H VAL A 13 7.102 0.334 -17.463 1.00 0.00 H new ATOM 0 HA VAL A 13 7.264 -2.584 -17.035 1.00 0.00 H new ATOM 0 HB VAL A 13 9.374 -1.303 -17.315 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.017 0.370 -15.604 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.555 0.880 -16.481 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.418 0.205 -14.840 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.454 -2.065 -15.208 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.852 -2.242 -14.452 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.313 -3.286 -15.818 1.00 0.00 H new ATOM 212 N LYS A 14 6.048 -2.644 -14.882 1.00 0.00 N ATOM 213 CA LYS A 14 5.281 -2.716 -13.636 1.00 0.00 C ATOM 214 C LYS A 14 6.041 -3.524 -12.592 1.00 0.00 C ATOM 215 O LYS A 14 5.470 -3.956 -11.589 1.00 0.00 O ATOM 216 CB LYS A 14 3.919 -3.362 -13.902 1.00 0.00 C ATOM 217 CG LYS A 14 4.118 -4.776 -14.451 1.00 0.00 C ATOM 218 CD LYS A 14 2.755 -5.387 -14.781 1.00 0.00 C ATOM 219 CE LYS A 14 2.951 -6.797 -15.338 1.00 0.00 C ATOM 220 NZ LYS A 14 1.623 -7.394 -15.651 1.00 0.00 N ATOM 0 H LYS A 14 6.132 -3.533 -15.375 1.00 0.00 H new ATOM 0 HA LYS A 14 5.132 -1.705 -13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.336 -3.397 -12.981 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.353 -2.761 -14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.742 -4.747 -15.344 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.638 -5.393 -13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.133 -5.421 -13.886 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.233 -4.766 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.567 -6.763 -16.236 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.479 -7.416 -14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.754 -8.353 -16.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.050 -7.440 -14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.136 -6.806 -16.357 1.00 0.00 H new ATOM 234 N LYS A 15 7.331 -3.728 -12.833 1.00 0.00 N ATOM 235 CA LYS A 15 8.159 -4.488 -11.904 1.00 0.00 C ATOM 236 C LYS A 15 8.024 -3.937 -10.492 1.00 0.00 C ATOM 237 O LYS A 15 7.412 -4.561 -9.627 1.00 0.00 O ATOM 238 CB LYS A 15 9.623 -4.422 -12.341 1.00 0.00 C ATOM 239 CG LYS A 15 10.453 -5.387 -11.492 1.00 0.00 C ATOM 240 CD LYS A 15 11.879 -5.473 -12.048 1.00 0.00 C ATOM 241 CE LYS A 15 12.616 -4.148 -11.827 1.00 0.00 C ATOM 242 NZ LYS A 15 14.081 -4.366 -11.990 1.00 0.00 N ATOM 0 H LYS A 15 7.823 -3.381 -13.656 1.00 0.00 H new ATOM 0 HA LYS A 15 7.822 -5.525 -11.910 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.711 -4.681 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.001 -3.406 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.476 -5.047 -10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.992 -6.375 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.419 -6.284 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.848 -5.707 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.266 -3.401 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.403 -3.762 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.584 -3.468 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.407 -5.066 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.275 -4.716 -12.950 1.00 0.00 H new ATOM 256 N LEU A 16 8.591 -2.755 -10.268 1.00 0.00 N ATOM 257 CA LEU A 16 8.526 -2.119 -8.958 1.00 0.00 C ATOM 258 C LEU A 16 8.785 -3.143 -7.857 1.00 0.00 C ATOM 259 O LEU A 16 9.218 -4.263 -8.128 1.00 0.00 O ATOM 260 CB LEU A 16 7.147 -1.479 -8.755 1.00 0.00 C ATOM 261 CG LEU A 16 7.053 -0.166 -9.553 1.00 0.00 C ATOM 262 CD1 LEU A 16 8.012 0.896 -8.969 1.00 0.00 C ATOM 263 CD2 LEU A 16 7.403 -0.439 -11.021 1.00 0.00 C ATOM 0 H LEU A 16 9.098 -2.221 -10.974 1.00 0.00 H new ATOM 0 HA LEU A 16 9.293 -1.346 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.366 -2.167 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.980 -1.283 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 16 6.035 0.219 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.931 1.817 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.746 1.095 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.036 0.527 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.337 0.489 -11.589 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.417 -0.833 -11.086 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.704 -1.167 -11.433 1.00 0.00 H new ATOM 275 N GLN A 17 8.521 -2.751 -6.609 1.00 0.00 N ATOM 276 CA GLN A 17 8.729 -3.642 -5.467 1.00 0.00 C ATOM 277 C GLN A 17 7.467 -3.718 -4.617 1.00 0.00 C ATOM 278 O GLN A 17 7.103 -2.756 -3.939 1.00 0.00 O ATOM 279 CB GLN A 17 9.904 -3.127 -4.619 1.00 0.00 C ATOM 280 CG GLN A 17 10.545 -4.290 -3.855 1.00 0.00 C ATOM 281 CD GLN A 17 9.503 -4.962 -2.970 1.00 0.00 C ATOM 282 OE1 GLN A 17 8.868 -5.930 -3.387 1.00 0.00 O ATOM 283 NE2 GLN A 17 9.284 -4.500 -1.771 1.00 0.00 N ATOM 0 H GLN A 17 8.165 -1.827 -6.365 1.00 0.00 H new ATOM 0 HA GLN A 17 8.960 -4.642 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.645 -2.650 -5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.553 -2.369 -3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.960 -5.013 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.372 -3.925 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.813 -3.697 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.584 -4.941 -1.174 1.00 0.00 H new ATOM 292 N LYS A 18 6.810 -4.868 -4.655 1.00 0.00 N ATOM 293 CA LYS A 18 5.593 -5.067 -3.884 1.00 0.00 C ATOM 294 C LYS A 18 5.935 -5.341 -2.426 1.00 0.00 C ATOM 295 O LYS A 18 6.877 -6.075 -2.126 1.00 0.00 O ATOM 296 CB LYS A 18 4.805 -6.247 -4.447 1.00 0.00 C ATOM 297 CG LYS A 18 4.355 -5.921 -5.875 1.00 0.00 C ATOM 298 CD LYS A 18 3.476 -7.056 -6.419 1.00 0.00 C ATOM 299 CE LYS A 18 4.329 -8.289 -6.738 1.00 0.00 C ATOM 300 NZ LYS A 18 3.525 -9.240 -7.559 1.00 0.00 N ATOM 0 H LYS A 18 7.098 -5.674 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 18 4.989 -4.162 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.422 -7.146 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.939 -6.453 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.800 -4.983 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.225 -5.784 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.711 -7.315 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.957 -6.723 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.229 -7.994 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.654 -8.770 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.098 -10.079 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.679 -9.528 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.236 -8.776 -8.444 1.00 0.00 H new ATOM 314 N SER A 19 5.164 -4.747 -1.522 1.00 0.00 N ATOM 315 CA SER A 19 5.386 -4.930 -0.090 1.00 0.00 C ATOM 316 C SER A 19 4.057 -4.979 0.648 1.00 0.00 C ATOM 317 O SER A 19 3.121 -4.255 0.308 1.00 0.00 O ATOM 318 CB SER A 19 6.238 -3.785 0.456 1.00 0.00 C ATOM 319 OG SER A 19 6.119 -3.744 1.873 1.00 0.00 O ATOM 0 H SER A 19 4.381 -4.136 -1.753 1.00 0.00 H new ATOM 0 HA SER A 19 5.910 -5.873 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.281 -3.925 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.914 -2.838 0.025 1.00 0.00 H new ATOM 0 HG SER A 19 5.980 -2.818 2.163 1.00 0.00 H new ATOM 325 N TYR A 20 3.976 -5.839 1.660 1.00 0.00 N ATOM 326 CA TYR A 20 2.750 -5.984 2.447 1.00 0.00 C ATOM 327 C TYR A 20 2.942 -5.399 3.839 1.00 0.00 C ATOM 328 O TYR A 20 3.887 -5.750 4.546 1.00 0.00 O ATOM 329 CB TYR A 20 2.391 -7.466 2.566 1.00 0.00 C ATOM 330 CG TYR A 20 2.084 -8.018 1.195 1.00 0.00 C ATOM 331 CD1 TYR A 20 3.127 -8.455 0.371 1.00 0.00 C ATOM 332 CD2 TYR A 20 0.760 -8.097 0.749 1.00 0.00 C ATOM 333 CE1 TYR A 20 2.848 -8.969 -0.900 1.00 0.00 C ATOM 334 CE2 TYR A 20 0.480 -8.612 -0.523 1.00 0.00 C ATOM 335 CZ TYR A 20 1.524 -9.048 -1.348 1.00 0.00 C ATOM 336 OH TYR A 20 1.248 -9.553 -2.601 1.00 0.00 O ATOM 0 H TYR A 20 4.741 -6.445 1.955 1.00 0.00 H new ATOM 0 HA TYR A 20 1.945 -5.448 1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.217 -8.017 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.530 -7.592 3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.149 -8.395 0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.045 -7.761 1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.654 -9.305 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.542 -8.673 -0.868 1.00 0.00 H new ATOM 0 HH TYR A 20 0.280 -9.538 -2.754 1.00 0.00 H new ATOM 346 N PHE A 21 2.035 -4.507 4.232 1.00 0.00 N ATOM 347 CA PHE A 21 2.099 -3.873 5.551 1.00 0.00 C ATOM 348 C PHE A 21 0.931 -4.336 6.410 1.00 0.00 C ATOM 349 O PHE A 21 -0.231 -4.188 6.029 1.00 0.00 O ATOM 350 CB PHE A 21 2.058 -2.352 5.401 1.00 0.00 C ATOM 351 CG PHE A 21 3.249 -1.891 4.593 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.246 -2.059 3.206 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.353 -1.302 5.227 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.343 -1.638 2.449 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.452 -0.881 4.466 1.00 0.00 C ATOM 356 CZ PHE A 21 5.444 -1.051 3.075 1.00 0.00 C ATOM 0 H PHE A 21 1.247 -4.206 3.658 1.00 0.00 H new ATOM 0 HA PHE A 21 3.033 -4.160 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.133 -2.050 4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.067 -1.879 6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.396 -2.514 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.356 -1.173 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.339 -1.767 1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.303 -0.426 4.951 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.290 -0.728 2.487 1.00 0.00 H new ATOM 366 N ASP A 22 1.244 -4.903 7.571 1.00 0.00 N ATOM 367 CA ASP A 22 0.213 -5.392 8.486 1.00 0.00 C ATOM 368 C ASP A 22 -0.128 -4.325 9.513 1.00 0.00 C ATOM 369 O ASP A 22 0.686 -4.002 10.381 1.00 0.00 O ATOM 370 CB ASP A 22 0.708 -6.649 9.202 1.00 0.00 C ATOM 371 CG ASP A 22 0.763 -7.820 8.225 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.192 -7.699 7.155 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.378 -8.818 8.563 1.00 0.00 O ATOM 0 H ASP A 22 2.200 -5.036 7.902 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.681 -5.630 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.697 -6.471 9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.045 -6.889 10.033 1.00 0.00 H new ATOM 378 N VAL A 23 -1.338 -3.777 9.416 1.00 0.00 N ATOM 379 CA VAL A 23 -1.785 -2.740 10.348 1.00 0.00 C ATOM 380 C VAL A 23 -2.900 -3.280 11.234 1.00 0.00 C ATOM 381 O VAL A 23 -3.887 -3.830 10.743 1.00 0.00 O ATOM 382 CB VAL A 23 -2.299 -1.531 9.569 1.00 0.00 C ATOM 383 CG1 VAL A 23 -2.730 -0.441 10.548 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.187 -0.994 8.664 1.00 0.00 C ATOM 0 H VAL A 23 -2.024 -4.031 8.706 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.943 -2.441 10.971 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.151 -1.829 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.097 0.422 9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.523 -0.823 11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.878 -0.144 11.160 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.555 -0.131 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.334 -0.696 9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.880 -1.772 7.965 1.00 0.00 H new ATOM 394 N LEU A 24 -2.733 -3.127 12.545 1.00 0.00 N ATOM 395 CA LEU A 24 -3.731 -3.609 13.503 1.00 0.00 C ATOM 396 C LEU A 24 -4.654 -2.475 13.932 1.00 0.00 C ATOM 397 O LEU A 24 -5.779 -2.711 14.377 1.00 0.00 O ATOM 398 CB LEU A 24 -3.026 -4.188 14.729 1.00 0.00 C ATOM 399 CG LEU A 24 -1.970 -5.206 14.286 1.00 0.00 C ATOM 400 CD1 LEU A 24 -1.256 -5.765 15.520 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.639 -6.355 13.513 1.00 0.00 C ATOM 0 H LEU A 24 -1.922 -2.676 12.969 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.330 -4.383 13.024 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.556 -3.388 15.302 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.753 -4.666 15.386 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.247 -4.714 13.635 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.504 -6.490 15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.773 -4.951 16.061 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.982 -6.253 16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.881 -7.074 13.202 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.367 -6.850 14.155 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.144 -5.956 12.633 1.00 0.00 H new ATOM 413 N GLY A 25 -4.178 -1.242 13.793 1.00 0.00 N ATOM 414 CA GLY A 25 -4.979 -0.081 14.169 1.00 0.00 C ATOM 415 C GLY A 25 -5.958 0.289 13.061 1.00 0.00 C ATOM 416 O GLY A 25 -6.259 1.464 12.851 1.00 0.00 O ATOM 0 H GLY A 25 -3.252 -1.021 13.427 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.527 -0.294 15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.324 0.765 14.378 1.00 0.00 H new ATOM 420 N ILE A 26 -6.453 -0.723 12.349 1.00 0.00 N ATOM 421 CA ILE A 26 -7.402 -0.494 11.261 1.00 0.00 C ATOM 422 C ILE A 26 -8.828 -0.517 11.795 1.00 0.00 C ATOM 423 O ILE A 26 -9.220 -1.436 12.514 1.00 0.00 O ATOM 424 CB ILE A 26 -7.237 -1.570 10.183 1.00 0.00 C ATOM 425 CG1 ILE A 26 -8.147 -1.257 8.981 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.614 -2.934 10.761 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.739 0.072 8.333 1.00 0.00 C ATOM 0 H ILE A 26 -6.215 -1.702 12.505 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.201 0.484 10.823 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.199 -1.585 9.852 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.082 -2.061 8.248 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.186 -1.206 9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.497 -3.699 9.994 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.964 -3.164 11.605 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.651 -2.913 11.097 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.392 0.279 7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.828 0.876 9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.707 0.007 7.989 1.00 0.00 H new ATOM 439 N CYS A 27 -9.605 0.505 11.440 1.00 0.00 N ATOM 440 CA CYS A 27 -10.997 0.605 11.888 1.00 0.00 C ATOM 441 C CYS A 27 -11.925 0.869 10.708 1.00 0.00 C ATOM 442 O CYS A 27 -11.681 1.764 9.900 1.00 0.00 O ATOM 443 CB CYS A 27 -11.130 1.738 12.915 1.00 0.00 C ATOM 444 SG CYS A 27 -12.875 2.202 13.104 1.00 0.00 S ATOM 0 H CYS A 27 -9.297 1.274 10.845 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.282 -0.341 12.349 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.724 1.419 13.875 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.548 2.602 12.593 1.00 0.00 H new ATOM 449 N CYS A 28 -12.997 0.089 10.628 1.00 0.00 N ATOM 450 CA CYS A 28 -13.974 0.248 9.557 1.00 0.00 C ATOM 451 C CYS A 28 -13.279 0.525 8.225 1.00 0.00 C ATOM 452 O CYS A 28 -12.076 0.298 8.082 1.00 0.00 O ATOM 453 CB CYS A 28 -14.921 1.401 9.902 1.00 0.00 C ATOM 454 SG CYS A 28 -14.083 2.983 9.616 1.00 0.00 S ATOM 0 H CYS A 28 -13.211 -0.657 11.289 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.542 -0.677 9.459 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.822 1.340 9.292 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -15.235 1.328 10.943 1.00 0.00 H new ATOM 459 N THR A 29 -14.041 1.019 7.251 1.00 0.00 N ATOM 460 CA THR A 29 -13.494 1.330 5.926 1.00 0.00 C ATOM 461 C THR A 29 -13.485 2.838 5.698 1.00 0.00 C ATOM 462 O THR A 29 -13.029 3.314 4.658 1.00 0.00 O ATOM 463 CB THR A 29 -14.342 0.650 4.841 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.268 1.407 3.642 1.00 0.00 O ATOM 465 CG2 THR A 29 -15.799 0.570 5.303 1.00 0.00 C ATOM 0 H THR A 29 -15.037 1.213 7.351 1.00 0.00 H new ATOM 0 HA THR A 29 -12.471 0.958 5.873 1.00 0.00 H new ATOM 0 HB THR A 29 -13.963 -0.356 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.439 1.930 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.399 0.087 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.857 -0.010 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.180 1.576 5.482 1.00 0.00 H new ATOM 473 N SER A 30 -13.988 3.585 6.675 1.00 0.00 N ATOM 474 CA SER A 30 -14.030 5.039 6.565 1.00 0.00 C ATOM 475 C SER A 30 -12.633 5.628 6.726 1.00 0.00 C ATOM 476 O SER A 30 -12.421 6.806 6.448 1.00 0.00 O ATOM 477 CB SER A 30 -14.958 5.624 7.628 1.00 0.00 C ATOM 478 OG SER A 30 -16.240 5.025 7.512 1.00 0.00 O ATOM 0 H SER A 30 -14.369 3.212 7.545 1.00 0.00 H new ATOM 0 HA SER A 30 -14.411 5.295 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.549 5.445 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.036 6.704 7.505 1.00 0.00 H new ATOM 0 HG SER A 30 -16.838 5.397 8.194 1.00 0.00 H new ATOM 484 N GLU A 31 -11.687 4.802 7.183 1.00 0.00 N ATOM 485 CA GLU A 31 -10.302 5.243 7.370 1.00 0.00 C ATOM 486 C GLU A 31 -9.481 4.958 6.108 1.00 0.00 C ATOM 487 O GLU A 31 -8.263 5.126 6.104 1.00 0.00 O ATOM 488 CB GLU A 31 -9.675 4.536 8.593 1.00 0.00 C ATOM 489 CG GLU A 31 -9.939 5.344 9.874 1.00 0.00 C ATOM 490 CD GLU A 31 -11.430 5.359 10.198 1.00 0.00 C ATOM 491 OE1 GLU A 31 -12.199 5.748 9.335 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.780 4.984 11.305 1.00 0.00 O ATOM 0 H GLU A 31 -11.855 3.827 7.430 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.298 6.318 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.092 3.534 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.602 4.420 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.384 4.910 10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.578 6.365 9.748 1.00 0.00 H new ATOM 499 N VAL A 32 -10.152 4.524 5.046 1.00 0.00 N ATOM 500 CA VAL A 32 -9.458 4.225 3.799 1.00 0.00 C ATOM 501 C VAL A 32 -8.842 5.501 3.210 1.00 0.00 C ATOM 502 O VAL A 32 -7.722 5.466 2.697 1.00 0.00 O ATOM 503 CB VAL A 32 -10.419 3.571 2.780 1.00 0.00 C ATOM 504 CG1 VAL A 32 -9.768 3.528 1.393 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.753 2.149 3.235 1.00 0.00 C ATOM 0 H VAL A 32 -11.161 4.373 5.023 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.657 3.519 4.015 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.334 4.161 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.454 3.065 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.539 4.543 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.848 2.945 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.431 1.687 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.836 1.562 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.230 2.183 4.214 1.00 0.00 H new ATOM 515 N PRO A 33 -9.536 6.618 3.274 1.00 0.00 N ATOM 516 CA PRO A 33 -9.030 7.914 2.727 1.00 0.00 C ATOM 517 C PRO A 33 -7.734 8.354 3.406 1.00 0.00 C ATOM 518 O PRO A 33 -6.798 8.809 2.750 1.00 0.00 O ATOM 519 CB PRO A 33 -10.175 8.911 3.015 1.00 0.00 C ATOM 520 CG PRO A 33 -11.378 8.057 3.236 1.00 0.00 C ATOM 521 CD PRO A 33 -10.856 6.793 3.893 1.00 0.00 C ATOM 0 HA PRO A 33 -8.784 7.844 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.957 9.521 3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.324 9.595 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.106 8.560 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.880 7.833 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.783 6.902 4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.507 5.940 3.702 1.00 0.00 H new ATOM 529 N ILE A 34 -7.695 8.215 4.730 1.00 0.00 N ATOM 530 CA ILE A 34 -6.517 8.599 5.503 1.00 0.00 C ATOM 531 C ILE A 34 -5.321 7.732 5.129 1.00 0.00 C ATOM 532 O ILE A 34 -4.208 8.230 4.968 1.00 0.00 O ATOM 533 CB ILE A 34 -6.808 8.467 7.003 1.00 0.00 C ATOM 534 CG1 ILE A 34 -7.827 9.535 7.423 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.516 8.660 7.803 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.335 9.239 8.839 1.00 0.00 C ATOM 0 H ILE A 34 -8.463 7.841 5.287 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.278 9.637 5.273 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.212 7.474 7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.367 10.523 7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.662 9.549 6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.730 8.565 8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.790 7.902 7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.108 9.651 7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.058 10.000 9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.812 8.259 8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.497 9.247 9.535 1.00 0.00 H new ATOM 548 N ILE A 35 -5.554 6.431 5.002 1.00 0.00 N ATOM 549 CA ILE A 35 -4.481 5.511 4.659 1.00 0.00 C ATOM 550 C ILE A 35 -3.915 5.843 3.283 1.00 0.00 C ATOM 551 O ILE A 35 -2.703 5.878 3.097 1.00 0.00 O ATOM 552 CB ILE A 35 -5.014 4.077 4.660 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.388 3.677 6.086 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.938 3.123 4.133 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.190 2.377 6.050 1.00 0.00 C ATOM 0 H ILE A 35 -6.467 5.995 5.130 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.687 5.608 5.399 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.893 4.020 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.488 3.547 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.974 4.467 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.323 2.103 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.668 3.406 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.057 3.180 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.459 2.087 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.096 2.525 5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.587 1.590 5.596 1.00 0.00 H new ATOM 567 N GLU A 36 -4.797 6.088 2.325 1.00 0.00 N ATOM 568 CA GLU A 36 -4.365 6.414 0.972 1.00 0.00 C ATOM 569 C GLU A 36 -3.688 7.781 0.939 1.00 0.00 C ATOM 570 O GLU A 36 -2.761 8.008 0.162 1.00 0.00 O ATOM 571 CB GLU A 36 -5.565 6.409 0.025 1.00 0.00 C ATOM 572 CG GLU A 36 -6.108 4.984 -0.093 1.00 0.00 C ATOM 573 CD GLU A 36 -7.331 4.968 -1.002 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.661 6.014 -1.536 1.00 0.00 O ATOM 575 OE2 GLU A 36 -7.920 3.911 -1.151 1.00 0.00 O ATOM 0 H GLU A 36 -5.808 6.068 2.456 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.647 5.661 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.341 7.077 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.270 6.781 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.338 4.324 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.372 4.604 0.894 1.00 0.00 H new ATOM 582 N ASN A 37 -4.164 8.686 1.786 1.00 0.00 N ATOM 583 CA ASN A 37 -3.604 10.031 1.851 1.00 0.00 C ATOM 584 C ASN A 37 -2.144 9.987 2.290 1.00 0.00 C ATOM 585 O ASN A 37 -1.320 10.764 1.810 1.00 0.00 O ATOM 586 CB ASN A 37 -4.410 10.889 2.831 1.00 0.00 C ATOM 587 CG ASN A 37 -3.767 12.265 2.967 1.00 0.00 C ATOM 588 OD1 ASN A 37 -2.798 12.428 3.708 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.256 13.273 2.297 1.00 0.00 N ATOM 0 H ASN A 37 -4.933 8.515 2.434 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.657 10.472 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.437 10.991 2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.454 10.401 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.835 14.198 2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.059 13.136 1.683 1.00 0.00 H new ATOM 596 N ILE A 38 -1.835 9.085 3.217 1.00 0.00 N ATOM 597 CA ILE A 38 -0.471 8.967 3.721 1.00 0.00 C ATOM 598 C ILE A 38 0.480 8.557 2.597 1.00 0.00 C ATOM 599 O ILE A 38 1.567 9.116 2.459 1.00 0.00 O ATOM 600 CB ILE A 38 -0.425 7.921 4.846 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.202 8.434 6.082 1.00 0.00 C ATOM 602 CG2 ILE A 38 1.033 7.626 5.222 1.00 0.00 C ATOM 603 CD1 ILE A 38 -0.323 9.337 6.963 1.00 0.00 C ATOM 0 H ILE A 38 -2.501 8.433 3.630 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.156 9.935 4.110 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.894 7.001 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.083 8.987 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.557 7.586 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.060 6.884 6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.563 7.241 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.513 8.543 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.900 9.680 7.822 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.544 8.775 7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.011 10.198 6.383 1.00 0.00 H new ATOM 615 N LEU A 39 0.064 7.585 1.795 1.00 0.00 N ATOM 616 CA LEU A 39 0.889 7.122 0.685 1.00 0.00 C ATOM 617 C LEU A 39 1.080 8.240 -0.337 1.00 0.00 C ATOM 618 O LEU A 39 2.156 8.389 -0.914 1.00 0.00 O ATOM 619 CB LEU A 39 0.239 5.895 0.024 1.00 0.00 C ATOM 620 CG LEU A 39 0.676 4.618 0.749 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.332 4.720 2.235 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.056 3.423 0.141 1.00 0.00 C ATOM 0 H LEU A 39 -0.831 7.105 1.890 1.00 0.00 H new ATOM 0 HA LEU A 39 1.868 6.836 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.847 5.987 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.525 5.843 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 39 1.753 4.490 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.645 3.809 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.849 5.575 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.744 4.849 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.250 2.510 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.132 3.559 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.190 3.346 -0.918 1.00 0.00 H new ATOM 634 N LYS A 40 0.027 9.013 -0.561 1.00 0.00 N ATOM 635 CA LYS A 40 0.088 10.107 -1.520 1.00 0.00 C ATOM 636 C LYS A 40 1.204 11.079 -1.152 1.00 0.00 C ATOM 637 O LYS A 40 1.921 11.572 -2.023 1.00 0.00 O ATOM 638 CB LYS A 40 -1.246 10.851 -1.542 1.00 0.00 C ATOM 639 CG LYS A 40 -1.321 11.730 -2.791 1.00 0.00 C ATOM 640 CD LYS A 40 -2.542 12.650 -2.705 1.00 0.00 C ATOM 641 CE LYS A 40 -3.830 11.828 -2.810 1.00 0.00 C ATOM 642 NZ LYS A 40 -4.973 12.738 -3.107 1.00 0.00 N ATOM 0 H LYS A 40 -0.874 8.904 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 40 0.292 9.691 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.071 10.139 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.347 11.464 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.412 12.324 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.386 11.106 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.528 13.199 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.507 13.389 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.734 11.078 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.010 11.292 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.849 12.183 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.068 13.437 -2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.800 13.230 -4.007 1.00 0.00 H new ATOM 656 N SER A 41 1.346 11.353 0.139 1.00 0.00 N ATOM 657 CA SER A 41 2.382 12.271 0.601 1.00 0.00 C ATOM 658 C SER A 41 3.765 11.747 0.228 1.00 0.00 C ATOM 659 O SER A 41 4.677 12.523 -0.062 1.00 0.00 O ATOM 660 CB SER A 41 2.289 12.443 2.116 1.00 0.00 C ATOM 661 OG SER A 41 2.612 11.213 2.748 1.00 0.00 O ATOM 0 H SER A 41 0.764 10.958 0.878 1.00 0.00 H new ATOM 0 HA SER A 41 2.229 13.236 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.971 13.226 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.284 12.757 2.397 1.00 0.00 H new ATOM 0 HG SER A 41 1.956 10.532 2.492 1.00 0.00 H new ATOM 667 N LEU A 42 3.914 10.428 0.241 1.00 0.00 N ATOM 668 CA LEU A 42 5.193 9.809 -0.095 1.00 0.00 C ATOM 669 C LEU A 42 5.441 9.879 -1.596 1.00 0.00 C ATOM 670 O LEU A 42 4.508 9.786 -2.395 1.00 0.00 O ATOM 671 CB LEU A 42 5.196 8.349 0.358 1.00 0.00 C ATOM 672 CG LEU A 42 4.891 8.270 1.858 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.818 6.800 2.279 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.995 8.982 2.658 1.00 0.00 C ATOM 0 H LEU A 42 3.172 9.769 0.478 1.00 0.00 H new ATOM 0 HA LEU A 42 5.987 10.351 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.453 7.783 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.166 7.896 0.150 1.00 0.00 H new ATOM 0 HG LEU A 42 3.938 8.759 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.601 6.737 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.029 6.300 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.772 6.315 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.770 8.921 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.954 8.502 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.045 10.029 2.357 1.00 0.00 H new ATOM 686 N ASP A 43 6.707 10.042 -1.975 1.00 0.00 N ATOM 687 CA ASP A 43 7.081 10.126 -3.391 1.00 0.00 C ATOM 688 C ASP A 43 7.749 8.834 -3.844 1.00 0.00 C ATOM 689 O ASP A 43 8.868 8.526 -3.433 1.00 0.00 O ATOM 690 CB ASP A 43 8.035 11.301 -3.605 1.00 0.00 C ATOM 691 CG ASP A 43 7.276 12.617 -3.462 1.00 0.00 C ATOM 692 OD1 ASP A 43 6.063 12.569 -3.356 1.00 0.00 O ATOM 693 OD2 ASP A 43 7.921 13.652 -3.461 1.00 0.00 O ATOM 0 H ASP A 43 7.491 10.119 -1.327 1.00 0.00 H new ATOM 0 HA ASP A 43 6.178 10.279 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.847 11.259 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.488 11.238 -4.594 1.00 0.00 H new ATOM 698 N GLY A 44 7.057 8.077 -4.696 1.00 0.00 N ATOM 699 CA GLY A 44 7.593 6.815 -5.206 1.00 0.00 C ATOM 700 C GLY A 44 6.490 5.773 -5.339 1.00 0.00 C ATOM 701 O GLY A 44 6.649 4.771 -6.037 1.00 0.00 O ATOM 0 H GLY A 44 6.129 8.314 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.063 6.980 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.369 6.446 -4.535 1.00 0.00 H new ATOM 705 N VAL A 45 5.369 6.012 -4.666 1.00 0.00 N ATOM 706 CA VAL A 45 4.247 5.084 -4.721 1.00 0.00 C ATOM 707 C VAL A 45 3.533 5.191 -6.063 1.00 0.00 C ATOM 708 O VAL A 45 3.193 6.285 -6.515 1.00 0.00 O ATOM 709 CB VAL A 45 3.262 5.387 -3.591 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.003 5.398 -2.254 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.618 6.755 -3.832 1.00 0.00 C ATOM 0 H VAL A 45 5.214 6.833 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 45 4.631 4.070 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 45 2.488 4.620 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.300 5.614 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.461 4.424 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.778 6.164 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.915 6.973 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.392 7.522 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.088 6.745 -4.784 1.00 0.00 H new ATOM 721 N LYS A 46 3.311 4.045 -6.696 1.00 0.00 N ATOM 722 CA LYS A 46 2.635 4.001 -7.993 1.00 0.00 C ATOM 723 C LYS A 46 1.153 3.689 -7.812 1.00 0.00 C ATOM 724 O LYS A 46 0.294 4.350 -8.394 1.00 0.00 O ATOM 725 CB LYS A 46 3.290 2.927 -8.871 1.00 0.00 C ATOM 726 CG LYS A 46 4.692 3.379 -9.316 1.00 0.00 C ATOM 727 CD LYS A 46 4.596 4.292 -10.546 1.00 0.00 C ATOM 728 CE LYS A 46 5.999 4.725 -10.968 1.00 0.00 C ATOM 729 NZ LYS A 46 5.900 5.625 -12.149 1.00 0.00 N ATOM 0 H LYS A 46 3.588 3.132 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 46 2.727 4.974 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.361 1.990 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.668 2.734 -9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.186 3.908 -8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.305 2.508 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.104 3.767 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.987 5.167 -10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.497 5.239 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.604 3.852 -11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.853 5.922 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.441 5.119 -12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.337 6.463 -11.900 1.00 0.00 H new ATOM 743 N GLU A 47 0.861 2.678 -7.001 1.00 0.00 N ATOM 744 CA GLU A 47 -0.521 2.287 -6.750 1.00 0.00 C ATOM 745 C GLU A 47 -0.637 1.533 -5.430 1.00 0.00 C ATOM 746 O GLU A 47 0.343 0.990 -4.923 1.00 0.00 O ATOM 747 CB GLU A 47 -1.031 1.407 -7.890 1.00 0.00 C ATOM 748 CG GLU A 47 0.011 0.331 -8.210 1.00 0.00 C ATOM 749 CD GLU A 47 -0.498 -0.567 -9.333 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.645 -0.974 -9.266 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.270 -0.835 -10.241 1.00 0.00 O ATOM 0 H GLU A 47 1.557 2.118 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.127 3.191 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.976 0.941 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.225 2.015 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.951 0.799 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.216 -0.265 -7.321 1.00 0.00 H new ATOM 758 N TYR A 48 -1.845 1.511 -4.883 1.00 0.00 N ATOM 759 CA TYR A 48 -2.096 0.825 -3.622 1.00 0.00 C ATOM 760 C TYR A 48 -3.573 0.492 -3.472 1.00 0.00 C ATOM 761 O TYR A 48 -4.426 1.084 -4.133 1.00 0.00 O ATOM 762 CB TYR A 48 -1.632 1.701 -2.452 1.00 0.00 C ATOM 763 CG TYR A 48 -2.084 3.126 -2.686 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.432 3.470 -2.549 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.146 4.104 -3.048 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.845 4.789 -2.776 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.558 5.422 -3.273 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.908 5.764 -3.137 1.00 0.00 C ATOM 769 OH TYR A 48 -3.316 7.063 -3.362 1.00 0.00 O ATOM 0 H TYR A 48 -2.665 1.959 -5.291 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.533 -0.109 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.044 1.325 -1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.547 1.662 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.155 2.719 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.104 3.839 -3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.887 5.054 -2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.835 6.174 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.541 7.612 -3.602 1.00 0.00 H new ATOM 779 N SER A 49 -3.865 -0.463 -2.593 1.00 0.00 N ATOM 780 CA SER A 49 -5.245 -0.879 -2.349 1.00 0.00 C ATOM 781 C SER A 49 -5.433 -1.237 -0.879 1.00 0.00 C ATOM 782 O SER A 49 -4.641 -1.988 -0.307 1.00 0.00 O ATOM 783 CB SER A 49 -5.587 -2.090 -3.221 1.00 0.00 C ATOM 784 OG SER A 49 -6.999 -2.216 -3.313 1.00 0.00 O ATOM 0 H SER A 49 -3.169 -0.962 -2.040 1.00 0.00 H new ATOM 0 HA SER A 49 -5.910 -0.054 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.155 -1.971 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.156 -2.995 -2.792 1.00 0.00 H new ATOM 0 HG SER A 49 -7.223 -2.989 -3.872 1.00 0.00 H new ATOM 790 N VAL A 50 -6.490 -0.702 -0.272 1.00 0.00 N ATOM 791 CA VAL A 50 -6.779 -0.973 1.134 1.00 0.00 C ATOM 792 C VAL A 50 -7.851 -2.044 1.245 1.00 0.00 C ATOM 793 O VAL A 50 -8.990 -1.843 0.824 1.00 0.00 O ATOM 794 CB VAL A 50 -7.267 0.305 1.819 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.586 0.012 3.286 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.172 1.372 1.736 1.00 0.00 C ATOM 0 H VAL A 50 -7.158 -0.081 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.868 -1.321 1.621 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.167 0.665 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.933 0.924 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.364 -0.749 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.688 -0.348 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.516 2.285 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.273 1.011 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.947 1.582 0.690 1.00 0.00 H new ATOM 806 N ILE A 51 -7.484 -3.192 1.816 1.00 0.00 N ATOM 807 CA ILE A 51 -8.427 -4.299 1.978 1.00 0.00 C ATOM 808 C ILE A 51 -8.697 -4.542 3.459 1.00 0.00 C ATOM 809 O ILE A 51 -7.905 -5.183 4.148 1.00 0.00 O ATOM 810 CB ILE A 51 -7.842 -5.566 1.347 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.471 -5.289 -0.112 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.883 -6.682 1.383 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.685 -6.477 -0.667 1.00 0.00 C ATOM 0 H ILE A 51 -6.547 -3.379 2.172 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.364 -4.045 1.483 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.955 -5.865 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.372 -5.126 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.875 -4.379 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.466 -7.583 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.161 -6.887 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.767 -6.374 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.419 -6.284 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.777 -6.619 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.298 -7.377 -0.611 1.00 0.00 H new ATOM 825 N VAL A 52 -9.822 -4.026 3.936 1.00 0.00 N ATOM 826 CA VAL A 52 -10.205 -4.195 5.333 1.00 0.00 C ATOM 827 C VAL A 52 -10.704 -5.620 5.588 1.00 0.00 C ATOM 828 O VAL A 52 -10.417 -6.203 6.632 1.00 0.00 O ATOM 829 CB VAL A 52 -11.308 -3.178 5.717 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.147 -2.736 7.177 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.213 -1.950 4.803 1.00 0.00 C ATOM 0 H VAL A 52 -10.485 -3.488 3.378 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.325 -4.016 5.950 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.280 -3.656 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.931 -2.021 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.224 -3.605 7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.172 -2.267 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.989 -1.234 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.234 -1.485 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.348 -2.257 3.766 1.00 0.00 H new ATOM 841 N PRO A 53 -11.456 -6.179 4.666 1.00 0.00 N ATOM 842 CA PRO A 53 -12.016 -7.557 4.815 1.00 0.00 C ATOM 843 C PRO A 53 -10.931 -8.595 5.102 1.00 0.00 C ATOM 844 O PRO A 53 -11.145 -9.546 5.853 1.00 0.00 O ATOM 845 CB PRO A 53 -12.704 -7.822 3.462 1.00 0.00 C ATOM 846 CG PRO A 53 -12.994 -6.467 2.903 1.00 0.00 C ATOM 847 CD PRO A 53 -11.854 -5.574 3.377 1.00 0.00 C ATOM 0 HA PRO A 53 -12.699 -7.633 5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.058 -8.394 2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.619 -8.400 3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.043 -6.495 1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.956 -6.095 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.028 -5.565 2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.178 -4.541 3.501 1.00 0.00 H new ATOM 855 N SER A 54 -9.761 -8.401 4.491 1.00 0.00 N ATOM 856 CA SER A 54 -8.630 -9.320 4.670 1.00 0.00 C ATOM 857 C SER A 54 -7.590 -8.716 5.611 1.00 0.00 C ATOM 858 O SER A 54 -6.591 -9.355 5.942 1.00 0.00 O ATOM 859 CB SER A 54 -7.987 -9.613 3.316 1.00 0.00 C ATOM 860 OG SER A 54 -9.003 -9.946 2.379 1.00 0.00 O ATOM 0 H SER A 54 -9.570 -7.617 3.868 1.00 0.00 H new ATOM 0 HA SER A 54 -9.001 -10.247 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.427 -8.744 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.276 -10.434 3.407 1.00 0.00 H new ATOM 0 HG SER A 54 -8.596 -10.133 1.508 1.00 0.00 H new ATOM 866 N ARG A 55 -7.830 -7.483 6.042 1.00 0.00 N ATOM 867 CA ARG A 55 -6.908 -6.805 6.946 1.00 0.00 C ATOM 868 C ARG A 55 -5.495 -6.810 6.377 1.00 0.00 C ATOM 869 O ARG A 55 -4.522 -7.025 7.101 1.00 0.00 O ATOM 870 CB ARG A 55 -6.906 -7.508 8.302 1.00 0.00 C ATOM 871 CG ARG A 55 -8.280 -7.364 8.955 1.00 0.00 C ATOM 872 CD ARG A 55 -8.297 -8.129 10.279 1.00 0.00 C ATOM 873 NE ARG A 55 -9.611 -8.020 10.904 1.00 0.00 N ATOM 874 CZ ARG A 55 -10.592 -8.870 10.604 1.00 0.00 C ATOM 875 NH1 ARG A 55 -10.389 -9.821 9.733 1.00 0.00 N ATOM 876 NH2 ARG A 55 -11.758 -8.751 11.178 1.00 0.00 N ATOM 0 H ARG A 55 -8.650 -6.935 5.782 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.238 -5.773 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.661 -8.563 8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.139 -7.077 8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.504 -6.311 9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.053 -7.749 8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.054 -9.177 10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.534 -7.731 10.948 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.782 -7.279 11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.479 -9.914 9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.140 -10.472 9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.919 -8.007 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.509 -9.402 10.948 1.00 0.00 H new ATOM 890 N THR A 56 -5.388 -6.578 5.071 1.00 0.00 N ATOM 891 CA THR A 56 -4.088 -6.557 4.396 1.00 0.00 C ATOM 892 C THR A 56 -3.947 -5.292 3.561 1.00 0.00 C ATOM 893 O THR A 56 -4.905 -4.844 2.929 1.00 0.00 O ATOM 894 CB THR A 56 -3.949 -7.781 3.492 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.069 -8.962 4.272 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.582 -7.756 2.807 1.00 0.00 C ATOM 0 H THR A 56 -6.184 -6.402 4.457 1.00 0.00 H new ATOM 0 HA THR A 56 -3.304 -6.574 5.153 1.00 0.00 H new ATOM 0 HB THR A 56 -4.734 -7.766 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.976 -9.022 4.638 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.482 -8.629 2.162 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.492 -6.850 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.796 -7.771 3.562 1.00 0.00 H new ATOM 904 N VAL A 57 -2.745 -4.717 3.560 1.00 0.00 N ATOM 905 CA VAL A 57 -2.478 -3.496 2.795 1.00 0.00 C ATOM 906 C VAL A 57 -1.425 -3.770 1.729 1.00 0.00 C ATOM 907 O VAL A 57 -0.372 -4.343 2.013 1.00 0.00 O ATOM 908 CB VAL A 57 -1.977 -2.394 3.733 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.501 -1.188 2.916 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.114 -1.966 4.664 1.00 0.00 C ATOM 0 H VAL A 57 -1.942 -5.074 4.078 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.401 -3.172 2.315 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.143 -2.775 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.146 -0.409 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.689 -1.493 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.328 -0.803 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.761 -1.182 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.947 -1.589 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.445 -2.822 5.252 1.00 0.00 H new ATOM 920 N ILE A 58 -1.719 -3.360 0.496 1.00 0.00 N ATOM 921 CA ILE A 58 -0.796 -3.563 -0.622 1.00 0.00 C ATOM 922 C ILE A 58 -0.449 -2.231 -1.271 1.00 0.00 C ATOM 923 O ILE A 58 -1.331 -1.438 -1.599 1.00 0.00 O ATOM 924 CB ILE A 58 -1.434 -4.474 -1.664 1.00 0.00 C ATOM 925 CG1 ILE A 58 -1.736 -5.831 -1.029 1.00 0.00 C ATOM 926 CG2 ILE A 58 -0.465 -4.664 -2.837 1.00 0.00 C ATOM 927 CD1 ILE A 58 -2.603 -6.655 -1.980 1.00 0.00 C ATOM 0 H ILE A 58 -2.587 -2.886 0.245 1.00 0.00 H new ATOM 0 HA ILE A 58 0.114 -4.024 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.359 -4.025 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.807 -6.360 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.250 -5.693 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.920 -5.315 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.244 -3.696 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.459 -5.116 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.819 -7.623 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.537 -6.127 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.072 -6.804 -2.920 1.00 0.00 H new ATOM 939 N VAL A 59 0.845 -1.994 -1.460 1.00 0.00 N ATOM 940 CA VAL A 59 1.313 -0.756 -2.081 1.00 0.00 C ATOM 941 C VAL A 59 2.526 -1.028 -2.955 1.00 0.00 C ATOM 942 O VAL A 59 3.462 -1.715 -2.542 1.00 0.00 O ATOM 943 CB VAL A 59 1.665 0.271 -0.999 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.617 -0.361 0.014 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.339 1.493 -1.635 1.00 0.00 C ATOM 0 H VAL A 59 1.588 -2.640 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 59 0.516 -0.355 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 59 0.750 0.586 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.867 0.370 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.137 -1.224 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.528 -0.681 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.586 2.218 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.251 1.182 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.660 1.950 -2.355 1.00 0.00 H new ATOM 955 N VAL A 60 2.508 -0.475 -4.165 1.00 0.00 N ATOM 956 CA VAL A 60 3.618 -0.647 -5.104 1.00 0.00 C ATOM 957 C VAL A 60 4.435 0.634 -5.175 1.00 0.00 C ATOM 958 O VAL A 60 3.895 1.721 -5.384 1.00 0.00 O ATOM 959 CB VAL A 60 3.083 -0.997 -6.491 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.256 -1.322 -7.414 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.162 -2.214 -6.390 1.00 0.00 C ATOM 0 H VAL A 60 1.740 0.095 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 60 4.254 -1.460 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 60 2.523 -0.152 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.880 -1.573 -8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.915 -0.456 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.812 -2.169 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.780 -2.464 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.721 -3.061 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.328 -1.985 -5.726 1.00 0.00 H new ATOM 971 N HIS A 61 5.742 0.503 -4.983 1.00 0.00 N ATOM 972 CA HIS A 61 6.635 1.656 -5.012 1.00 0.00 C ATOM 973 C HIS A 61 8.047 1.234 -5.408 1.00 0.00 C ATOM 974 O HIS A 61 8.393 0.057 -5.342 1.00 0.00 O ATOM 975 CB HIS A 61 6.661 2.317 -3.626 1.00 0.00 C ATOM 976 CG HIS A 61 7.401 1.431 -2.659 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.772 1.527 -2.461 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.975 0.422 -1.834 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.114 0.601 -1.547 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.056 -0.099 -1.131 1.00 0.00 N ATOM 0 H HIS A 61 6.207 -0.388 -4.806 1.00 0.00 H new ATOM 0 HA HIS A 61 6.267 2.367 -5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.145 3.292 -3.686 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.644 2.487 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.954 0.083 -1.744 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.122 0.443 -1.193 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.043 -0.854 -0.445 1.00 0.00 H new ATOM 989 N ASP A 62 8.855 2.208 -5.807 1.00 0.00 N ATOM 990 CA ASP A 62 10.233 1.933 -6.197 1.00 0.00 C ATOM 991 C ASP A 62 11.109 1.804 -4.959 1.00 0.00 C ATOM 992 O ASP A 62 11.236 2.743 -4.179 1.00 0.00 O ATOM 993 CB ASP A 62 10.763 3.057 -7.090 1.00 0.00 C ATOM 994 CG ASP A 62 12.192 2.749 -7.523 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.630 1.632 -7.298 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.827 3.632 -8.073 1.00 0.00 O ATOM 0 H ASP A 62 8.583 3.189 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 62 10.259 0.996 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.125 3.168 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.733 4.005 -6.552 1.00 0.00 H new ATOM 1001 N SER A 63 11.711 0.635 -4.783 1.00 0.00 N ATOM 1002 CA SER A 63 12.568 0.400 -3.629 1.00 0.00 C ATOM 1003 C SER A 63 13.713 1.402 -3.596 1.00 0.00 C ATOM 1004 O SER A 63 14.053 1.933 -2.537 1.00 0.00 O ATOM 1005 CB SER A 63 13.141 -1.018 -3.683 1.00 0.00 C ATOM 1006 OG SER A 63 14.235 -1.116 -2.778 1.00 0.00 O ATOM 0 H SER A 63 11.623 -0.158 -5.418 1.00 0.00 H new ATOM 0 HA SER A 63 11.966 0.519 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.371 -1.744 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.469 -1.252 -4.696 1.00 0.00 H new ATOM 0 HG SER A 63 14.604 -2.023 -2.808 1.00 0.00 H new ATOM 1012 N LEU A 64 14.317 1.647 -4.750 1.00 0.00 N ATOM 1013 CA LEU A 64 15.434 2.578 -4.821 1.00 0.00 C ATOM 1014 C LEU A 64 14.992 3.981 -4.404 1.00 0.00 C ATOM 1015 O LEU A 64 15.603 4.602 -3.538 1.00 0.00 O ATOM 1016 CB LEU A 64 15.980 2.612 -6.260 1.00 0.00 C ATOM 1017 CG LEU A 64 17.447 3.068 -6.269 1.00 0.00 C ATOM 1018 CD1 LEU A 64 17.989 3.000 -7.701 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.558 4.508 -5.744 1.00 0.00 C ATOM 0 H LEU A 64 14.057 1.220 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 64 16.215 2.244 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.898 1.622 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.379 3.289 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 64 18.030 2.412 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.030 3.323 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.923 1.975 -8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.400 3.653 -8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.602 4.820 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.974 5.173 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.177 4.554 -4.724 1.00 0.00 H new ATOM 1031 N LEU A 65 13.933 4.482 -5.033 1.00 0.00 N ATOM 1032 CA LEU A 65 13.448 5.821 -4.723 1.00 0.00 C ATOM 1033 C LEU A 65 12.972 5.899 -3.276 1.00 0.00 C ATOM 1034 O LEU A 65 13.302 6.833 -2.549 1.00 0.00 O ATOM 1035 CB LEU A 65 12.295 6.181 -5.680 1.00 0.00 C ATOM 1036 CG LEU A 65 12.231 7.701 -5.895 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.069 8.037 -6.836 1.00 0.00 C ATOM 1038 CD2 LEU A 65 12.035 8.420 -4.552 1.00 0.00 C ATOM 0 H LEU A 65 13.401 3.989 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 65 14.264 6.532 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.437 5.678 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.350 5.825 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 65 13.168 8.036 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.024 9.115 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.222 7.541 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.133 7.693 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.991 9.496 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.105 8.086 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.870 8.189 -3.890 1.00 0.00 H new ATOM 1050 N ILE A 66 12.195 4.905 -2.856 1.00 0.00 N ATOM 1051 CA ILE A 66 11.677 4.867 -1.492 1.00 0.00 C ATOM 1052 C ILE A 66 11.620 3.431 -0.992 1.00 0.00 C ATOM 1053 O ILE A 66 11.250 2.522 -1.735 1.00 0.00 O ATOM 1054 CB ILE A 66 10.278 5.484 -1.446 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.828 5.604 0.012 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.293 4.597 -2.216 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.541 6.424 0.083 1.00 0.00 C ATOM 0 H ILE A 66 11.911 4.117 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 66 12.344 5.441 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 66 10.302 6.472 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.664 4.613 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.608 6.080 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.298 5.041 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.615 4.512 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.264 3.606 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.221 6.509 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.721 7.419 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.762 5.930 -0.497 1.00 0.00 H new ATOM 1069 N SER A 67 11.995 3.230 0.267 1.00 0.00 N ATOM 1070 CA SER A 67 11.992 1.891 0.852 1.00 0.00 C ATOM 1071 C SER A 67 10.740 1.676 1.716 1.00 0.00 C ATOM 1072 O SER A 67 10.081 2.638 2.114 1.00 0.00 O ATOM 1073 CB SER A 67 13.263 1.686 1.692 1.00 0.00 C ATOM 1074 OG SER A 67 13.918 0.503 1.251 1.00 0.00 O ATOM 0 H SER A 67 12.303 3.969 0.899 1.00 0.00 H new ATOM 0 HA SER A 67 11.976 1.158 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.926 2.545 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.008 1.605 2.749 1.00 0.00 H new ATOM 0 HG SER A 67 14.732 0.363 1.779 1.00 0.00 H new ATOM 1080 N PRO A 68 10.410 0.440 2.022 1.00 0.00 N ATOM 1081 CA PRO A 68 9.222 0.115 2.873 1.00 0.00 C ATOM 1082 C PRO A 68 9.265 0.830 4.224 1.00 0.00 C ATOM 1083 O PRO A 68 8.226 1.180 4.785 1.00 0.00 O ATOM 1084 CB PRO A 68 9.306 -1.413 3.066 1.00 0.00 C ATOM 1085 CG PRO A 68 10.139 -1.908 1.929 1.00 0.00 C ATOM 1086 CD PRO A 68 11.118 -0.785 1.593 1.00 0.00 C ATOM 0 HA PRO A 68 8.292 0.440 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.760 -1.664 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.315 -1.866 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.671 -2.818 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.516 -2.151 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.063 -0.907 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.349 -0.761 0.528 1.00 0.00 H new ATOM 1094 N PHE A 69 10.472 1.023 4.745 1.00 0.00 N ATOM 1095 CA PHE A 69 10.641 1.676 6.038 1.00 0.00 C ATOM 1096 C PHE A 69 9.990 3.053 6.037 1.00 0.00 C ATOM 1097 O PHE A 69 9.400 3.471 7.032 1.00 0.00 O ATOM 1098 CB PHE A 69 12.131 1.821 6.361 1.00 0.00 C ATOM 1099 CG PHE A 69 12.735 0.457 6.610 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.729 -0.087 7.901 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.302 -0.260 5.551 1.00 0.00 C ATOM 1102 CE1 PHE A 69 13.289 -1.350 8.131 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.863 -1.523 5.781 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.856 -2.068 7.071 1.00 0.00 C ATOM 0 H PHE A 69 11.342 0.739 4.295 1.00 0.00 H new ATOM 0 HA PHE A 69 10.159 1.058 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.646 2.312 5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.263 2.453 7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.293 0.467 8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.307 0.160 4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 69 13.283 -1.770 9.126 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.301 -2.076 4.963 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.288 -3.042 7.248 1.00 0.00 H new ATOM 1114 N GLN A 70 10.100 3.755 4.917 1.00 0.00 N ATOM 1115 CA GLN A 70 9.517 5.081 4.806 1.00 0.00 C ATOM 1116 C GLN A 70 7.995 4.998 4.890 1.00 0.00 C ATOM 1117 O GLN A 70 7.356 5.814 5.554 1.00 0.00 O ATOM 1118 CB GLN A 70 9.928 5.712 3.475 1.00 0.00 C ATOM 1119 CG GLN A 70 9.500 7.180 3.444 1.00 0.00 C ATOM 1120 CD GLN A 70 10.310 7.981 4.459 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.515 7.768 4.599 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.718 8.894 5.180 1.00 0.00 N ATOM 0 H GLN A 70 10.584 3.430 4.080 1.00 0.00 H new ATOM 0 HA GLN A 70 9.881 5.698 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.007 5.635 3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.467 5.172 2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.647 7.589 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.437 7.262 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.720 9.069 5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.253 9.433 5.861 1.00 0.00 H new ATOM 1131 N ILE A 71 7.423 4.008 4.213 1.00 0.00 N ATOM 1132 CA ILE A 71 5.974 3.831 4.221 1.00 0.00 C ATOM 1133 C ILE A 71 5.486 3.494 5.625 1.00 0.00 C ATOM 1134 O ILE A 71 4.485 4.036 6.092 1.00 0.00 O ATOM 1135 CB ILE A 71 5.577 2.713 3.251 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.862 3.163 1.816 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.082 2.407 3.398 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.733 1.969 0.868 1.00 0.00 C ATOM 0 H ILE A 71 7.934 3.322 3.657 1.00 0.00 H new ATOM 0 HA ILE A 71 5.509 4.764 3.903 1.00 0.00 H new ATOM 0 HB ILE A 71 6.154 1.816 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.164 3.948 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.864 3.586 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.804 1.612 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.874 2.089 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.503 3.303 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.936 2.292 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.448 1.198 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.722 1.565 0.927 1.00 0.00 H new ATOM 1150 N ALA A 72 6.200 2.596 6.295 1.00 0.00 N ATOM 1151 CA ALA A 72 5.826 2.194 7.645 1.00 0.00 C ATOM 1152 C ALA A 72 5.921 3.374 8.603 1.00 0.00 C ATOM 1153 O ALA A 72 5.067 3.551 9.472 1.00 0.00 O ATOM 1154 CB ALA A 72 6.748 1.075 8.124 1.00 0.00 C ATOM 0 H ALA A 72 7.034 2.136 5.929 1.00 0.00 H new ATOM 0 HA ALA A 72 4.796 1.839 7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.465 0.777 9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.659 0.219 7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.779 1.429 8.126 1.00 0.00 H new ATOM 1160 N LYS A 73 6.964 4.177 8.439 1.00 0.00 N ATOM 1161 CA LYS A 73 7.162 5.336 9.297 1.00 0.00 C ATOM 1162 C LYS A 73 6.026 6.336 9.111 1.00 0.00 C ATOM 1163 O LYS A 73 5.556 6.944 10.072 1.00 0.00 O ATOM 1164 CB LYS A 73 8.501 6.002 8.975 1.00 0.00 C ATOM 1165 CG LYS A 73 8.764 7.129 9.978 1.00 0.00 C ATOM 1166 CD LYS A 73 10.148 7.728 9.720 1.00 0.00 C ATOM 1167 CE LYS A 73 10.421 8.839 10.736 1.00 0.00 C ATOM 1168 NZ LYS A 73 11.783 9.400 10.506 1.00 0.00 N ATOM 0 H LYS A 73 7.681 4.048 7.725 1.00 0.00 H new ATOM 0 HA LYS A 73 7.168 5.004 10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.305 5.267 9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.487 6.400 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.999 7.900 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.706 6.745 10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.911 6.954 9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.200 8.126 8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.672 9.625 10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.344 8.446 11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.969 10.155 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.492 8.647 10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.840 9.790 9.543 1.00 0.00 H new ATOM 1182 N ALA A 74 5.591 6.503 7.866 1.00 0.00 N ATOM 1183 CA ALA A 74 4.510 7.433 7.564 1.00 0.00 C ATOM 1184 C ALA A 74 3.211 6.983 8.231 1.00 0.00 C ATOM 1185 O ALA A 74 2.452 7.799 8.748 1.00 0.00 O ATOM 1186 CB ALA A 74 4.315 7.521 6.047 1.00 0.00 C ATOM 0 H ALA A 74 5.967 6.010 7.056 1.00 0.00 H new ATOM 0 HA ALA A 74 4.775 8.416 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.506 8.217 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.236 7.873 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.064 6.535 5.655 1.00 0.00 H new ATOM 1192 N LEU A 75 2.971 5.678 8.217 1.00 0.00 N ATOM 1193 CA LEU A 75 1.770 5.118 8.823 1.00 0.00 C ATOM 1194 C LEU A 75 1.791 5.322 10.334 1.00 0.00 C ATOM 1195 O LEU A 75 0.749 5.532 10.958 1.00 0.00 O ATOM 1196 CB LEU A 75 1.673 3.625 8.498 1.00 0.00 C ATOM 1197 CG LEU A 75 1.424 3.432 6.995 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.557 1.946 6.654 1.00 0.00 C ATOM 1199 CD2 LEU A 75 0.014 3.932 6.612 1.00 0.00 C ATOM 0 H LEU A 75 3.591 4.988 7.793 1.00 0.00 H new ATOM 0 HA LEU A 75 0.899 5.632 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.593 3.120 8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.864 3.171 9.071 1.00 0.00 H new ATOM 0 HG LEU A 75 2.159 4.009 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.382 1.800 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.560 1.603 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.824 1.375 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.145 3.788 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.735 3.370 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.074 4.992 6.852 1.00 0.00 H new ATOM 1211 N ASN A 76 2.982 5.257 10.916 1.00 0.00 N ATOM 1212 CA ASN A 76 3.131 5.433 12.356 1.00 0.00 C ATOM 1213 C ASN A 76 2.656 6.821 12.779 1.00 0.00 C ATOM 1214 O ASN A 76 2.089 6.991 13.858 1.00 0.00 O ATOM 1215 CB ASN A 76 4.596 5.249 12.755 1.00 0.00 C ATOM 1216 CG ASN A 76 5.093 3.883 12.296 1.00 0.00 C ATOM 1217 OD1 ASN A 76 6.297 3.681 12.138 1.00 0.00 O ATOM 1218 ND2 ASN A 76 4.234 2.928 12.069 1.00 0.00 N ATOM 0 H ASN A 76 3.855 5.085 10.417 1.00 0.00 H new ATOM 0 HA ASN A 76 2.520 4.684 12.860 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.205 6.035 12.309 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.701 5.339 13.836 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.560 2.012 11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.237 3.097 12.200 1.00 0.00 H new ATOM 1225 N GLU A 77 2.898 7.810 11.926 1.00 0.00 N ATOM 1226 CA GLU A 77 2.493 9.181 12.226 1.00 0.00 C ATOM 1227 C GLU A 77 1.016 9.231 12.609 1.00 0.00 C ATOM 1228 O GLU A 77 0.623 9.977 13.507 1.00 0.00 O ATOM 1229 CB GLU A 77 2.731 10.073 11.006 1.00 0.00 C ATOM 1230 CG GLU A 77 4.228 10.136 10.695 1.00 0.00 C ATOM 1231 CD GLU A 77 4.966 10.856 11.820 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.320 11.588 12.551 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.165 10.662 11.934 1.00 0.00 O ATOM 0 H GLU A 77 3.368 7.692 11.029 1.00 0.00 H new ATOM 0 HA GLU A 77 3.089 9.541 13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.188 9.681 10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.347 11.075 11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.625 9.128 10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.390 10.657 9.751 1.00 0.00 H new ATOM 1240 N ALA A 78 0.202 8.432 11.925 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.230 8.395 12.208 1.00 0.00 C ATOM 1242 C ALA A 78 -1.486 7.773 13.582 1.00 0.00 C ATOM 1243 O ALA A 78 -2.589 7.871 14.118 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.954 7.594 11.115 1.00 0.00 C ATOM 0 H ALA A 78 0.505 7.807 11.178 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.616 9.414 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.022 7.569 11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.790 8.068 10.147 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.564 6.576 11.091 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.459 7.144 14.145 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.577 6.521 15.460 1.00 0.00 C ATOM 1252 C ARG A 79 -1.612 5.401 15.432 1.00 0.00 C ATOM 1253 O ARG A 79 -2.525 5.358 16.258 1.00 0.00 O ATOM 1254 CB ARG A 79 -0.976 7.568 16.505 1.00 0.00 C ATOM 1255 CG ARG A 79 -0.731 7.014 17.913 1.00 0.00 C ATOM 1256 CD ARG A 79 -1.079 8.081 18.952 1.00 0.00 C ATOM 1257 NE ARG A 79 -2.513 8.340 18.951 1.00 0.00 N ATOM 1258 CZ ARG A 79 -3.039 9.277 19.732 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -2.265 9.984 20.511 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -4.325 9.491 19.721 1.00 0.00 N ATOM 0 H ARG A 79 0.461 7.052 13.714 1.00 0.00 H new ATOM 0 HA ARG A 79 0.391 6.097 15.727 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.399 8.481 16.358 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.027 7.832 16.386 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.338 6.123 18.075 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.311 6.714 18.020 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.763 7.751 19.942 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.536 9.001 18.734 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.122 7.794 18.342 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.259 9.816 20.519 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.667 10.704 21.112 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.929 8.939 19.112 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.727 10.211 20.321 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.474 4.494 14.466 1.00 0.00 N ATOM 1275 CA LEU A 80 -2.407 3.371 14.326 1.00 0.00 C ATOM 1276 C LEU A 80 -1.637 2.049 14.307 1.00 0.00 C ATOM 1277 O LEU A 80 -2.110 1.055 13.760 1.00 0.00 O ATOM 1278 CB LEU A 80 -3.223 3.521 13.032 1.00 0.00 C ATOM 1279 CG LEU A 80 -2.354 4.157 11.945 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -1.116 3.287 11.701 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -3.165 4.268 10.651 1.00 0.00 C ATOM 0 H LEU A 80 -0.729 4.512 13.770 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.089 3.372 15.176 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.581 2.546 12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.103 4.138 13.215 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.038 5.150 12.265 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.499 3.742 10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.540 3.206 12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.427 2.293 11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.550 4.721 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.479 3.274 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.044 4.888 10.825 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.452 2.047 14.901 1.00 0.00 N ATOM 1294 CA GLU A 81 0.367 0.841 14.942 1.00 0.00 C ATOM 1295 C GLU A 81 0.434 0.188 13.565 1.00 0.00 C ATOM 1296 O GLU A 81 -0.488 -0.515 13.153 1.00 0.00 O ATOM 1297 CB GLU A 81 -0.217 -0.148 15.952 1.00 0.00 C ATOM 1298 CG GLU A 81 0.682 -1.381 16.037 1.00 0.00 C ATOM 1299 CD GLU A 81 0.182 -2.319 17.130 1.00 0.00 C ATOM 1300 OE1 GLU A 81 -0.622 -1.880 17.936 1.00 0.00 O ATOM 1301 OE2 GLU A 81 0.612 -3.459 17.146 1.00 0.00 O ATOM 0 H GLU A 81 -0.038 2.859 15.358 1.00 0.00 H new ATOM 0 HA GLU A 81 1.376 1.119 15.245 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.300 0.323 16.932 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.224 -0.439 15.652 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.693 -1.900 15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.708 -1.079 16.247 1.00 0.00 H new ATOM 1308 N ALA A 82 1.535 0.422 12.857 1.00 0.00 N ATOM 1309 CA ALA A 82 1.722 -0.148 11.520 1.00 0.00 C ATOM 1310 C ALA A 82 3.155 -0.631 11.342 1.00 0.00 C ATOM 1311 O ALA A 82 4.102 0.029 11.769 1.00 0.00 O ATOM 1312 CB ALA A 82 1.400 0.907 10.460 1.00 0.00 C ATOM 0 H ALA A 82 2.310 1.000 13.182 1.00 0.00 H new ATOM 0 HA ALA A 82 1.049 -0.998 11.406 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.540 0.480 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.366 1.232 10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.064 1.762 10.584 1.00 0.00 H new ATOM 1318 N ASN A 83 3.305 -1.790 10.709 1.00 0.00 N ATOM 1319 CA ASN A 83 4.625 -2.363 10.476 1.00 0.00 C ATOM 1320 C ASN A 83 4.601 -3.287 9.263 1.00 0.00 C ATOM 1321 O ASN A 83 3.536 -3.623 8.748 1.00 0.00 O ATOM 1322 CB ASN A 83 5.077 -3.143 11.713 1.00 0.00 C ATOM 1323 CG ASN A 83 3.937 -4.018 12.227 1.00 0.00 C ATOM 1324 OD1 ASN A 83 3.452 -3.815 13.339 1.00 0.00 O ATOM 1325 ND2 ASN A 83 3.478 -4.985 11.481 1.00 0.00 N ATOM 0 H ASN A 83 2.531 -2.349 10.349 1.00 0.00 H new ATOM 0 HA ASN A 83 5.327 -1.552 10.282 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.939 -3.763 11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.395 -2.451 12.493 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.717 -5.573 11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.881 -5.153 10.559 1.00 0.00 H new ATOM 1332 N VAL A 84 5.784 -3.698 8.812 1.00 0.00 N ATOM 1333 CA VAL A 84 5.884 -4.585 7.659 1.00 0.00 C ATOM 1334 C VAL A 84 5.679 -6.031 8.086 1.00 0.00 C ATOM 1335 O VAL A 84 6.354 -6.518 8.994 1.00 0.00 O ATOM 1336 CB VAL A 84 7.254 -4.435 7.003 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.270 -5.189 5.671 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.530 -2.953 6.749 1.00 0.00 C ATOM 0 H VAL A 84 6.679 -3.433 9.224 1.00 0.00 H new ATOM 0 HA VAL A 84 5.109 -4.313 6.943 1.00 0.00 H new ATOM 0 HB VAL A 84 8.020 -4.845 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.249 -5.081 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.067 -6.245 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.506 -4.778 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.508 -2.840 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.763 -2.548 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.517 -2.413 7.696 1.00 0.00 H new ATOM 1348 N ARG A 85 4.744 -6.711 7.424 1.00 0.00 N ATOM 1349 CA ARG A 85 4.443 -8.107 7.736 1.00 0.00 C ATOM 1350 C ARG A 85 4.550 -8.369 9.239 1.00 0.00 C ATOM 1351 O ARG A 85 3.574 -8.226 9.974 1.00 0.00 O ATOM 1352 CB ARG A 85 5.406 -9.025 6.976 1.00 0.00 C ATOM 1353 CG ARG A 85 5.044 -10.488 7.239 1.00 0.00 C ATOM 1354 CD ARG A 85 5.990 -11.397 6.456 1.00 0.00 C ATOM 1355 NE ARG A 85 5.553 -12.783 6.561 1.00 0.00 N ATOM 1356 CZ ARG A 85 6.229 -13.763 5.970 1.00 0.00 C ATOM 1357 NH1 ARG A 85 7.306 -13.491 5.285 1.00 0.00 N ATOM 1358 NH2 ARG A 85 5.815 -14.996 6.076 1.00 0.00 N ATOM 0 H ARG A 85 4.182 -6.318 6.669 1.00 0.00 H new ATOM 0 HA ARG A 85 3.419 -8.316 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.356 -8.815 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.431 -8.832 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.114 -10.705 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.012 -10.677 6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.015 -11.094 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.005 -11.297 6.841 1.00 0.00 H new ATOM 0 HE ARG A 85 4.714 -13.005 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.629 -12.527 5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.825 -14.243 4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.973 -15.207 6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.333 -15.749 5.623 1.00 0.00 H new ATOM 1372 N VAL A 86 5.742 -8.747 9.687 1.00 0.00 N ATOM 1373 CA VAL A 86 5.969 -9.021 11.099 1.00 0.00 C ATOM 1374 C VAL A 86 6.169 -7.717 11.861 1.00 0.00 C ATOM 1375 O VAL A 86 6.925 -6.846 11.432 1.00 0.00 O ATOM 1376 CB VAL A 86 7.207 -9.904 11.267 1.00 0.00 C ATOM 1377 CG1 VAL A 86 7.448 -10.168 12.757 1.00 0.00 C ATOM 1378 CG2 VAL A 86 6.993 -11.236 10.538 1.00 0.00 C ATOM 0 H VAL A 86 6.563 -8.870 9.094 1.00 0.00 H new ATOM 0 HA VAL A 86 5.098 -9.540 11.499 1.00 0.00 H new ATOM 0 HB VAL A 86 8.073 -9.396 10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.330 -10.797 12.877 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.605 -9.221 13.274 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.581 -10.674 13.182 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.876 -11.863 10.659 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.126 -11.745 10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.825 -11.048 9.478 1.00 0.00 H new ATOM 1388 N ASN A 87 5.488 -7.590 12.997 1.00 0.00 N ATOM 1389 CA ASN A 87 5.600 -6.387 13.818 1.00 0.00 C ATOM 1390 C ASN A 87 6.727 -6.537 14.832 1.00 0.00 C ATOM 1391 O ASN A 87 6.803 -7.534 15.550 1.00 0.00 O ATOM 1392 CB ASN A 87 4.279 -6.139 14.553 1.00 0.00 C ATOM 1393 CG ASN A 87 4.039 -7.243 15.577 1.00 0.00 C ATOM 1394 OD1 ASN A 87 4.703 -7.285 16.613 1.00 0.00 O ATOM 1395 ND2 ASN A 87 3.126 -8.146 15.346 1.00 0.00 N ATOM 0 H ASN A 87 4.857 -8.300 13.368 1.00 0.00 H new ATOM 0 HA ASN A 87 5.822 -5.540 13.168 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.306 -5.169 15.050 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.456 -6.108 13.839 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.961 -8.889 16.025 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.578 -8.109 14.487 1.00 0.00 H new ATOM 1402 N GLY A 88 7.605 -5.539 14.885 1.00 0.00 N ATOM 1403 CA GLY A 88 8.729 -5.567 15.815 1.00 0.00 C ATOM 1404 C GLY A 88 8.329 -4.999 17.170 1.00 0.00 C ATOM 1405 O GLY A 88 7.676 -3.957 17.249 1.00 0.00 O ATOM 0 H GLY A 88 7.560 -4.706 14.298 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.081 -6.592 15.935 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.559 -4.991 15.406 1.00 0.00 H new ATOM 1409 N GLU A 89 8.723 -5.687 18.236 1.00 0.00 N ATOM 1410 CA GLU A 89 8.400 -5.238 19.584 1.00 0.00 C ATOM 1411 C GLU A 89 9.188 -3.981 19.933 1.00 0.00 C ATOM 1412 O GLU A 89 10.390 -3.902 19.682 1.00 0.00 O ATOM 1413 CB GLU A 89 8.721 -6.341 20.594 1.00 0.00 C ATOM 1414 CG GLU A 89 7.745 -7.506 20.407 1.00 0.00 C ATOM 1415 CD GLU A 89 8.085 -8.631 21.377 1.00 0.00 C ATOM 1416 OE1 GLU A 89 7.970 -8.411 22.571 1.00 0.00 O ATOM 1417 OE2 GLU A 89 8.455 -9.696 20.912 1.00 0.00 O ATOM 0 H GLU A 89 9.263 -6.552 18.193 1.00 0.00 H new ATOM 0 HA GLU A 89 7.335 -5.008 19.624 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.746 -6.686 20.458 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.648 -5.951 21.609 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.723 -7.166 20.575 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.794 -7.872 19.381 1.00 0.00 H new ATOM 1424 N THR A 90 8.503 -3.000 20.513 1.00 0.00 N ATOM 1425 CA THR A 90 9.153 -1.750 20.895 1.00 0.00 C ATOM 1426 C THR A 90 9.824 -1.891 22.257 1.00 0.00 C ATOM 1427 O THR A 90 9.522 -2.810 23.017 1.00 0.00 O ATOM 1428 CB THR A 90 8.119 -0.622 20.947 1.00 0.00 C ATOM 1429 OG1 THR A 90 7.178 -0.890 21.979 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.391 -0.532 19.604 1.00 0.00 C ATOM 0 H THR A 90 7.507 -3.045 20.727 1.00 0.00 H new ATOM 0 HA THR A 90 9.914 -1.513 20.151 1.00 0.00 H new ATOM 0 HB THR A 90 8.623 0.323 21.150 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.842 -0.044 22.343 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.655 0.271 19.642 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.112 -0.327 18.812 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.887 -1.476 19.399 1.00 0.00 H new ATOM 1438 N SER A 91 10.735 -0.970 22.558 1.00 0.00 N ATOM 1439 CA SER A 91 11.448 -0.994 23.833 1.00 0.00 C ATOM 1440 C SER A 91 10.605 -0.343 24.927 1.00 0.00 C ATOM 1441 O SER A 91 9.678 0.413 24.642 1.00 0.00 O ATOM 1442 CB SER A 91 12.781 -0.256 23.699 1.00 0.00 C ATOM 1443 OG SER A 91 13.707 -1.086 23.009 1.00 0.00 O ATOM 0 H SER A 91 10.997 -0.201 21.941 1.00 0.00 H new ATOM 0 HA SER A 91 11.637 -2.032 24.106 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.640 0.680 23.158 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.169 0.001 24.685 1.00 0.00 H new ATOM 0 HG SER A 91 14.563 -0.617 22.919 1.00 0.00 H new ATOM 1449 N PHE A 92 10.941 -0.641 26.179 1.00 0.00 N ATOM 1450 CA PHE A 92 10.212 -0.082 27.314 1.00 0.00 C ATOM 1451 C PHE A 92 8.719 -0.360 27.189 1.00 0.00 C ATOM 1452 O PHE A 92 8.203 -1.295 27.799 1.00 0.00 O ATOM 1453 CB PHE A 92 10.442 1.428 27.387 1.00 0.00 C ATOM 1454 CG PHE A 92 11.920 1.706 27.524 1.00 0.00 C ATOM 1455 CD1 PHE A 92 12.543 1.569 28.769 1.00 0.00 C ATOM 1456 CD2 PHE A 92 12.666 2.099 26.406 1.00 0.00 C ATOM 1457 CE1 PHE A 92 13.912 1.826 28.898 1.00 0.00 C ATOM 1458 CE2 PHE A 92 14.036 2.356 26.535 1.00 0.00 C ATOM 1459 CZ PHE A 92 14.659 2.220 27.782 1.00 0.00 C ATOM 0 H PHE A 92 11.709 -1.263 26.433 1.00 0.00 H new ATOM 0 HA PHE A 92 10.582 -0.555 28.224 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.052 1.910 26.490 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.902 1.848 28.235 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.967 1.265 29.631 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.185 2.204 25.445 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.393 1.720 29.859 1.00 0.00 H new ATOM 0 HE2 PHE A 92 14.612 2.659 25.673 1.00 0.00 H new ATOM 0 HZ PHE A 92 15.716 2.419 27.882 1.00 0.00 H new ATOM 1469 N LYS A 93 8.034 0.461 26.395 1.00 0.00 N ATOM 1470 CA LYS A 93 6.600 0.297 26.191 1.00 0.00 C ATOM 1471 C LYS A 93 5.830 0.707 27.444 1.00 0.00 C ATOM 1472 O LYS A 93 4.700 0.266 27.660 1.00 0.00 O ATOM 1473 CB LYS A 93 6.281 -1.167 25.844 1.00 0.00 C ATOM 1474 CG LYS A 93 4.976 -1.253 25.037 1.00 0.00 C ATOM 1475 CD LYS A 93 4.741 -2.705 24.573 1.00 0.00 C ATOM 1476 CE LYS A 93 5.458 -2.956 23.242 1.00 0.00 C ATOM 1477 NZ LYS A 93 4.937 -2.010 22.217 1.00 0.00 N ATOM 0 H LYS A 93 8.448 1.242 25.886 1.00 0.00 H new ATOM 0 HA LYS A 93 6.294 0.939 25.365 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.101 -1.598 25.269 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.190 -1.753 26.759 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.138 -0.917 25.647 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.028 -0.590 24.174 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.107 -3.400 25.329 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.673 -2.890 24.460 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.533 -2.823 23.364 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.299 -3.985 22.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.598 -2.544 21.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.152 -1.460 22.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.697 -1.364 21.922 1.00 0.00 H new ATOM 1491 N ASN A 94 6.443 1.548 28.266 1.00 0.00 N ATOM 1492 CA ASN A 94 5.795 1.996 29.488 1.00 0.00 C ATOM 1493 C ASN A 94 4.515 2.763 29.170 1.00 0.00 C ATOM 1494 O ASN A 94 3.457 2.481 29.733 1.00 0.00 O ATOM 1495 CB ASN A 94 6.750 2.900 30.270 1.00 0.00 C ATOM 1496 CG ASN A 94 6.038 3.497 31.478 1.00 0.00 C ATOM 1497 OD1 ASN A 94 4.995 2.998 31.895 1.00 0.00 O ATOM 1498 ND2 ASN A 94 6.544 4.546 32.066 1.00 0.00 N ATOM 0 H ASN A 94 7.376 1.929 28.111 1.00 0.00 H new ATOM 0 HA ASN A 94 5.538 1.122 30.086 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.618 2.328 30.597 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.118 3.698 29.625 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.074 4.954 32.874 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.410 4.958 31.718 1.00 0.00 H new ATOM 1505 N LYS A 95 4.619 3.727 28.263 1.00 0.00 N ATOM 1506 CA LYS A 95 3.459 4.522 27.877 1.00 0.00 C ATOM 1507 C LYS A 95 2.453 3.672 27.107 1.00 0.00 C ATOM 1508 O LYS A 95 1.250 3.734 27.360 1.00 0.00 O ATOM 1509 CB LYS A 95 3.900 5.709 27.021 1.00 0.00 C ATOM 1510 CG LYS A 95 2.697 6.607 26.736 1.00 0.00 C ATOM 1511 CD LYS A 95 3.150 7.831 25.938 1.00 0.00 C ATOM 1512 CE LYS A 95 1.944 8.723 25.638 1.00 0.00 C ATOM 1513 NZ LYS A 95 1.378 9.244 26.915 1.00 0.00 N ATOM 0 H LYS A 95 5.485 3.976 27.785 1.00 0.00 H new ATOM 0 HA LYS A 95 2.978 4.891 28.783 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.675 6.275 27.537 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.333 5.355 26.085 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.942 6.054 26.177 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.234 6.921 27.672 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.897 8.390 26.502 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.623 7.517 25.008 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.242 9.552 24.996 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.186 8.157 25.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.788 10.078 26.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.797 8.507 27.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.153 9.511 27.555 1.00 0.00 H new ATOM 1527 N TRP A 96 2.956 2.881 26.163 1.00 0.00 N ATOM 1528 CA TRP A 96 2.095 2.024 25.355 1.00 0.00 C ATOM 1529 C TRP A 96 2.933 1.104 24.474 1.00 0.00 C ATOM 1530 O TRP A 96 2.486 0.001 24.209 1.00 0.00 O ATOM 1531 CB TRP A 96 1.187 2.884 24.473 1.00 0.00 C ATOM 1532 CG TRP A 96 0.247 2.000 23.718 1.00 0.00 C ATOM 1533 CD1 TRP A 96 0.435 1.572 22.448 1.00 0.00 C ATOM 1534 CD2 TRP A 96 -1.022 1.436 24.157 1.00 0.00 C ATOM 1535 NE1 TRP A 96 -0.636 0.776 22.082 1.00 0.00 N ATOM 1536 CE2 TRP A 96 -1.563 0.665 23.100 1.00 0.00 C ATOM 1537 CE3 TRP A 96 -1.753 1.521 25.355 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 -2.779 -0.004 23.230 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 -2.980 0.849 25.490 1.00 0.00 C ATOM 1540 CH2 TRP A 96 -3.493 0.090 24.429 1.00 0.00 C ATOM 1541 OXT TRP A 96 4.010 1.517 24.075 1.00 0.00 O ATOM 0 H TRP A 96 3.949 2.816 25.940 1.00 0.00 H new ATOM 0 HA TRP A 96 1.486 1.416 26.024 1.00 0.00 H new ATOM 0 HB2 TRP A 96 0.627 3.589 25.087 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.787 3.473 23.779 1.00 0.00 H new ATOM 0 HD1 TRP A 96 1.282 1.812 21.823 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.730 0.326 21.171 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -1.369 2.107 26.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -3.167 -0.591 22.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -3.531 0.918 26.416 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -4.438 -0.421 24.537 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -13.383 3.883 11.617 1.00 0.00 ZN HETATM 1554 O HOH A 301 -14.981 5.142 12.447 1.00 0.00 O