USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 68 SER OG : rot -70:sc= -0.585 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.0258 X(o=-0.56,f=-0.49) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0.0202 USER MOD Set 2.2: A 40 SER OG : rot 105:sc= 1.8 USER MOD Single : A 4 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.31) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.918 F(o=-1.6,f=-0.92) USER MOD Single : A 26 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.89) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 30 THR OG1 : rot 68:sc= 0.708 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 67 MET CE :methyl -171:sc= -2.83! (180deg=-2.95!) USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 0.00413 (180deg=0) USER MOD Single : A 77 CYS SG : rot 150:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.317 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -11:sc= 1.35 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-2.2) USER MOD Single : A 95 ASN : amide:sc= -3.17 K(o=-3.2,f=-4.6!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.135 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 1.020 -0.493 -2.884 1.00 0.00 N ATOM 19 CA GLY A 2 0.511 -1.211 -4.038 1.00 0.00 C ATOM 20 C GLY A 2 -0.998 -1.129 -4.152 1.00 0.00 C ATOM 21 O GLY A 2 -1.563 -1.386 -5.215 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.963 -0.805 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.811 -2.257 -3.973 1.00 0.00 H new ATOM 25 N VAL A 3 -1.655 -0.770 -3.053 1.00 0.00 N ATOM 26 CA VAL A 3 -3.108 -0.655 -3.034 1.00 0.00 C ATOM 27 C VAL A 3 -3.560 0.445 -2.080 1.00 0.00 C ATOM 28 O VAL A 3 -3.216 0.434 -0.898 1.00 0.00 O ATOM 29 CB VAL A 3 -3.771 -1.982 -2.621 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.250 -2.441 -1.268 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.285 -1.836 -2.597 1.00 0.00 C ATOM 0 H VAL A 3 -1.203 -0.554 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.418 -0.403 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.514 -2.742 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.730 -3.380 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.171 -2.587 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.475 -1.685 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.737 -2.783 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.565 -1.063 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.639 -1.557 -3.589 1.00 0.00 H new ATOM 41 N GLN A 4 -4.333 1.393 -2.601 1.00 0.00 N ATOM 42 CA GLN A 4 -4.831 2.500 -1.794 1.00 0.00 C ATOM 43 C GLN A 4 -6.352 2.452 -1.684 1.00 0.00 C ATOM 44 O GLN A 4 -7.039 2.033 -2.615 1.00 0.00 O ATOM 45 CB GLN A 4 -4.394 3.836 -2.398 1.00 0.00 C ATOM 46 CG GLN A 4 -3.634 4.723 -1.426 1.00 0.00 C ATOM 47 CD GLN A 4 -2.471 4.006 -0.768 1.00 0.00 C ATOM 48 OE1 GLN A 4 -2.298 4.066 0.450 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.666 3.321 -1.572 1.00 0.00 N ATOM 0 H GLN A 4 -4.627 1.416 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.409 2.406 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.767 3.644 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.275 4.371 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.262 5.600 -1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.318 5.081 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.846 3.298 -2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.867 2.818 -1.186 1.00 0.00 H new ATOM 58 N VAL A 5 -6.871 2.883 -0.539 1.00 0.00 N ATOM 59 CA VAL A 5 -8.311 2.889 -0.306 1.00 0.00 C ATOM 60 C VAL A 5 -8.817 4.301 -0.034 1.00 0.00 C ATOM 61 O VAL A 5 -8.460 4.918 0.970 1.00 0.00 O ATOM 62 CB VAL A 5 -8.692 1.981 0.878 1.00 0.00 C ATOM 63 CG1 VAL A 5 -10.204 1.848 0.983 1.00 0.00 C ATOM 64 CG2 VAL A 5 -8.037 0.616 0.735 1.00 0.00 C ATOM 0 H VAL A 5 -6.316 3.233 0.242 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.780 2.506 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.327 2.439 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.455 1.203 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.646 2.833 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.596 1.413 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.317 -0.012 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.370 0.148 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.953 0.733 0.713 1.00 0.00 H new ATOM 74 N VAL A 6 -9.652 4.808 -0.935 1.00 0.00 N ATOM 75 CA VAL A 6 -10.210 6.148 -0.792 1.00 0.00 C ATOM 76 C VAL A 6 -11.620 6.097 -0.214 1.00 0.00 C ATOM 77 O VAL A 6 -12.594 5.896 -0.941 1.00 0.00 O ATOM 78 CB VAL A 6 -10.246 6.888 -2.142 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.692 8.330 -1.949 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.885 6.829 -2.819 1.00 0.00 C ATOM 0 H VAL A 6 -9.957 4.311 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.559 6.691 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.970 6.392 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.711 8.837 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.690 8.347 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.995 8.841 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.929 7.357 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.139 7.299 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.610 5.789 -2.993 1.00 0.00 H new ATOM 90 N THR A 7 -11.723 6.282 1.098 1.00 0.00 N ATOM 91 CA THR A 7 -13.014 6.256 1.774 1.00 0.00 C ATOM 92 C THR A 7 -14.013 7.179 1.086 1.00 0.00 C ATOM 93 O THR A 7 -13.741 8.362 0.879 1.00 0.00 O ATOM 94 CB THR A 7 -12.882 6.671 3.252 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.691 6.110 3.814 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.092 6.213 4.052 1.00 0.00 C ATOM 0 H THR A 7 -10.928 6.452 1.714 1.00 0.00 H new ATOM 0 HA THR A 7 -13.377 5.230 1.723 1.00 0.00 H new ATOM 0 HB THR A 7 -12.827 7.759 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.614 6.380 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.977 6.517 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.994 6.666 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.174 5.127 3.998 1.00 0.00 H new ATOM 104 N LEU A 8 -15.171 6.632 0.734 1.00 0.00 N ATOM 105 CA LEU A 8 -16.213 7.407 0.069 1.00 0.00 C ATOM 106 C LEU A 8 -17.392 7.651 1.006 1.00 0.00 C ATOM 107 O LEU A 8 -17.847 8.783 1.165 1.00 0.00 O ATOM 108 CB LEU A 8 -16.690 6.682 -1.190 1.00 0.00 C ATOM 109 CG LEU A 8 -15.636 6.457 -2.275 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.979 5.230 -3.106 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.513 7.687 -3.163 1.00 0.00 C ATOM 0 H LEU A 8 -15.412 5.655 0.898 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.790 8.371 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.093 5.713 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.513 7.251 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.675 6.286 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.218 5.086 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.015 4.352 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.950 5.372 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.758 7.509 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.472 7.890 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.220 8.545 -2.558 1.00 0.00 H new ATOM 123 N ALA A 9 -17.880 6.582 1.626 1.00 0.00 N ATOM 124 CA ALA A 9 -19.002 6.680 2.551 1.00 0.00 C ATOM 125 C ALA A 9 -18.825 5.733 3.733 1.00 0.00 C ATOM 126 O ALA A 9 -18.920 4.515 3.584 1.00 0.00 O ATOM 127 CB ALA A 9 -20.309 6.387 1.828 1.00 0.00 C ATOM 0 H ALA A 9 -17.515 5.637 1.504 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.034 7.699 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.139 6.464 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.448 7.107 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.277 5.380 1.413 1.00 0.00 H new ATOM 133 N ALA A 10 -18.566 6.300 4.906 1.00 0.00 N ATOM 134 CA ALA A 10 -18.378 5.506 6.114 1.00 0.00 C ATOM 135 C ALA A 10 -19.549 4.555 6.334 1.00 0.00 C ATOM 136 O ALA A 10 -20.677 4.841 5.934 1.00 0.00 O ATOM 137 CB ALA A 10 -18.199 6.415 7.321 1.00 0.00 C ATOM 0 H ALA A 10 -18.481 7.307 5.046 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.476 4.907 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.060 5.808 8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.325 7.049 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.084 7.040 7.440 1.00 0.00 H new ATOM 143 N GLY A 11 -19.273 3.421 6.971 1.00 0.00 N ATOM 144 CA GLY A 11 -20.315 2.444 7.232 1.00 0.00 C ATOM 145 C GLY A 11 -20.456 2.127 8.708 1.00 0.00 C ATOM 146 O GLY A 11 -20.728 3.014 9.517 1.00 0.00 O ATOM 0 H GLY A 11 -18.347 3.161 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.265 2.820 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.094 1.527 6.686 1.00 0.00 H new ATOM 150 N ASP A 12 -20.272 0.859 9.059 1.00 0.00 N ATOM 151 CA ASP A 12 -20.380 0.427 10.447 1.00 0.00 C ATOM 152 C ASP A 12 -19.095 0.726 11.212 1.00 0.00 C ATOM 153 O ASP A 12 -19.129 1.047 12.399 1.00 0.00 O ATOM 154 CB ASP A 12 -20.692 -1.069 10.515 1.00 0.00 C ATOM 155 CG ASP A 12 -21.414 -1.452 11.792 1.00 0.00 C ATOM 156 OD1 ASP A 12 -20.977 -1.012 12.875 1.00 0.00 O ATOM 157 OD2 ASP A 12 -22.416 -2.193 11.707 1.00 0.00 O ATOM 0 H ASP A 12 -20.047 0.113 8.401 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.195 0.982 10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.304 -1.349 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.763 -1.635 10.443 1.00 0.00 H new ATOM 162 N GLU A 13 -17.963 0.617 10.523 1.00 0.00 N ATOM 163 CA GLU A 13 -16.667 0.874 11.139 1.00 0.00 C ATOM 164 C GLU A 13 -16.505 0.067 12.424 1.00 0.00 C ATOM 165 O GLU A 13 -15.816 0.489 13.352 1.00 0.00 O ATOM 166 CB GLU A 13 -16.506 2.366 11.437 1.00 0.00 C ATOM 167 CG GLU A 13 -16.092 3.188 10.228 1.00 0.00 C ATOM 168 CD GLU A 13 -16.436 4.657 10.376 1.00 0.00 C ATOM 169 OE1 GLU A 13 -17.641 4.982 10.425 1.00 0.00 O ATOM 170 OE2 GLU A 13 -15.501 5.482 10.442 1.00 0.00 O ATOM 0 H GLU A 13 -17.918 0.353 9.539 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.892 0.565 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.448 2.754 11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.762 2.492 12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.018 3.084 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.582 2.792 9.339 1.00 0.00 H new ATOM 177 N ALA A 14 -17.146 -1.096 12.469 1.00 0.00 N ATOM 178 CA ALA A 14 -17.073 -1.963 13.638 1.00 0.00 C ATOM 179 C ALA A 14 -16.907 -3.423 13.230 1.00 0.00 C ATOM 180 O ALA A 14 -16.137 -4.166 13.839 1.00 0.00 O ATOM 181 CB ALA A 14 -18.315 -1.793 14.500 1.00 0.00 C ATOM 0 H ALA A 14 -17.722 -1.459 11.709 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.198 -1.673 14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.247 -2.447 15.370 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.390 -0.757 14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.200 -2.053 13.919 1.00 0.00 H new ATOM 187 N THR A 15 -17.634 -3.829 12.194 1.00 0.00 N ATOM 188 CA THR A 15 -17.568 -5.201 11.705 1.00 0.00 C ATOM 189 C THR A 15 -16.645 -5.310 10.497 1.00 0.00 C ATOM 190 O THR A 15 -16.926 -4.753 9.436 1.00 0.00 O ATOM 191 CB THR A 15 -18.963 -5.727 11.319 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.921 -5.352 12.315 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.948 -7.241 11.168 1.00 0.00 C ATOM 0 H THR A 15 -18.275 -3.227 11.677 1.00 0.00 H new ATOM 0 HA THR A 15 -17.171 -5.808 12.519 1.00 0.00 H new ATOM 0 HB THR A 15 -19.242 -5.285 10.362 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.806 -5.689 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.944 -7.589 10.895 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.239 -7.522 10.389 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.650 -7.698 12.112 1.00 0.00 H new ATOM 201 N TYR A 16 -15.542 -6.032 10.665 1.00 0.00 N ATOM 202 CA TYR A 16 -14.576 -6.212 9.588 1.00 0.00 C ATOM 203 C TYR A 16 -14.424 -7.689 9.235 1.00 0.00 C ATOM 204 O TYR A 16 -14.661 -8.577 10.053 1.00 0.00 O ATOM 205 CB TYR A 16 -13.219 -5.630 9.988 1.00 0.00 C ATOM 206 CG TYR A 16 -13.244 -4.135 10.211 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.848 -3.590 11.337 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.665 -3.266 9.294 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.874 -2.224 11.544 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.685 -1.900 9.493 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.291 -1.383 10.620 1.00 0.00 C ATOM 212 OH TYR A 16 -13.314 -0.022 10.821 1.00 0.00 O ATOM 0 H TYR A 16 -15.295 -6.502 11.536 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.946 -5.682 8.710 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.878 -6.119 10.900 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.491 -5.861 9.211 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.305 -4.245 12.063 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.191 -3.666 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.348 -1.817 12.425 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.229 -1.239 8.771 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.859 0.426 10.078 1.00 0.00 H new ATOM 222 N PRO A 17 -14.017 -7.958 7.985 1.00 0.00 N ATOM 223 CA PRO A 17 -13.822 -9.326 7.494 1.00 0.00 C ATOM 224 C PRO A 17 -12.619 -10.007 8.137 1.00 0.00 C ATOM 225 O PRO A 17 -11.494 -9.515 8.050 1.00 0.00 O ATOM 226 CB PRO A 17 -13.588 -9.133 5.993 1.00 0.00 C ATOM 227 CG PRO A 17 -13.054 -7.748 5.868 1.00 0.00 C ATOM 228 CD PRO A 17 -13.715 -6.949 6.956 1.00 0.00 C ATOM 0 HA PRO A 17 -14.671 -9.968 7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.881 -9.866 5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.513 -9.253 5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.970 -7.736 5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.278 -7.331 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.056 -6.169 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.619 -6.456 6.599 1.00 0.00 H new ATOM 236 N LYS A 18 -12.864 -11.142 8.783 1.00 0.00 N ATOM 237 CA LYS A 18 -11.801 -11.893 9.440 1.00 0.00 C ATOM 238 C LYS A 18 -10.940 -12.627 8.417 1.00 0.00 C ATOM 239 O LYS A 18 -11.439 -13.096 7.394 1.00 0.00 O ATOM 240 CB LYS A 18 -12.394 -12.894 10.434 1.00 0.00 C ATOM 241 CG LYS A 18 -11.486 -13.192 11.614 1.00 0.00 C ATOM 242 CD LYS A 18 -12.283 -13.437 12.884 1.00 0.00 C ATOM 243 CE LYS A 18 -12.826 -12.138 13.460 1.00 0.00 C ATOM 244 NZ LYS A 18 -13.829 -12.384 14.533 1.00 0.00 N ATOM 0 H LYS A 18 -13.790 -11.562 8.866 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.171 -11.185 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.342 -12.506 10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.614 -13.825 9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.875 -14.067 11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.802 -12.357 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.109 -14.115 12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.650 -13.928 13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.003 -11.546 13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.283 -11.550 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.175 -11.474 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.627 -12.927 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.387 -12.923 15.305 1.00 0.00 H new ATOM 258 N ALA A 19 -9.645 -12.723 8.699 1.00 0.00 N ATOM 259 CA ALA A 19 -8.716 -13.403 7.805 1.00 0.00 C ATOM 260 C ALA A 19 -9.117 -14.860 7.602 1.00 0.00 C ATOM 261 O ALA A 19 -9.262 -15.614 8.563 1.00 0.00 O ATOM 262 CB ALA A 19 -7.298 -13.314 8.350 1.00 0.00 C ATOM 0 H ALA A 19 -9.215 -12.338 9.540 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.752 -12.905 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.615 -13.826 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.007 -12.267 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.255 -13.785 9.332 1.00 0.00 H new ATOM 268 N GLY A 20 -9.295 -15.251 6.344 1.00 0.00 N ATOM 269 CA GLY A 20 -9.678 -16.617 6.038 1.00 0.00 C ATOM 270 C GLY A 20 -11.179 -16.821 6.079 1.00 0.00 C ATOM 271 O GLY A 20 -11.666 -17.933 5.879 1.00 0.00 O ATOM 0 H GLY A 20 -9.181 -14.646 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.305 -16.883 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.203 -17.292 6.750 1.00 0.00 H new ATOM 275 N GLN A 21 -11.914 -15.745 6.342 1.00 0.00 N ATOM 276 CA GLN A 21 -13.369 -15.813 6.411 1.00 0.00 C ATOM 277 C GLN A 21 -14.002 -15.236 5.149 1.00 0.00 C ATOM 278 O GLN A 21 -13.351 -14.521 4.387 1.00 0.00 O ATOM 279 CB GLN A 21 -13.877 -15.059 7.641 1.00 0.00 C ATOM 280 CG GLN A 21 -14.568 -15.952 8.660 1.00 0.00 C ATOM 281 CD GLN A 21 -14.740 -15.277 10.006 1.00 0.00 C ATOM 282 OE1 GLN A 21 -15.197 -14.030 9.989 1.00 0.00 O flip ATOM 283 NE2 GLN A 21 -14.465 -15.869 11.050 1.00 0.00 N flip ATOM 0 H GLN A 21 -11.526 -14.817 6.511 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.655 -16.862 6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.037 -14.556 8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.572 -14.283 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.546 -16.245 8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.989 -16.867 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.117 -16.827 11.016 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.586 -15.401 11.948 1.00 0.00 H new ATOM 292 N VAL A 22 -15.275 -15.550 4.934 1.00 0.00 N ATOM 293 CA VAL A 22 -15.996 -15.063 3.765 1.00 0.00 C ATOM 294 C VAL A 22 -16.506 -13.643 3.986 1.00 0.00 C ATOM 295 O VAL A 22 -16.841 -13.260 5.107 1.00 0.00 O ATOM 296 CB VAL A 22 -17.188 -15.976 3.419 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.810 -15.562 2.094 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.749 -17.432 3.381 1.00 0.00 C ATOM 0 H VAL A 22 -15.829 -16.140 5.555 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.291 -15.068 2.934 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.944 -15.869 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.650 -16.218 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.161 -14.533 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -17.065 -15.639 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.603 -18.063 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.974 -17.559 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.355 -17.719 4.356 1.00 0.00 H new ATOM 308 N ALA A 23 -16.561 -12.866 2.910 1.00 0.00 N ATOM 309 CA ALA A 23 -17.032 -11.488 2.985 1.00 0.00 C ATOM 310 C ALA A 23 -17.761 -11.086 1.708 1.00 0.00 C ATOM 311 O ALA A 23 -17.259 -11.293 0.603 1.00 0.00 O ATOM 312 CB ALA A 23 -15.867 -10.546 3.249 1.00 0.00 C ATOM 0 H ALA A 23 -16.285 -13.167 1.975 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.738 -11.416 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.233 -9.521 3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.391 -10.811 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.141 -10.630 2.441 1.00 0.00 H new ATOM 318 N VAL A 24 -18.949 -10.511 1.866 1.00 0.00 N ATOM 319 CA VAL A 24 -19.748 -10.080 0.724 1.00 0.00 C ATOM 320 C VAL A 24 -19.642 -8.573 0.518 1.00 0.00 C ATOM 321 O VAL A 24 -19.888 -7.791 1.436 1.00 0.00 O ATOM 322 CB VAL A 24 -21.230 -10.460 0.900 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.991 -10.258 -0.401 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.357 -11.896 1.385 1.00 0.00 C ATOM 0 H VAL A 24 -19.380 -10.333 2.773 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.351 -10.593 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.668 -9.806 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -23.036 -10.532 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.928 -9.212 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.555 -10.885 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.411 -12.148 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.903 -12.568 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.848 -12.003 2.343 1.00 0.00 H new ATOM 334 N VAL A 25 -19.274 -8.172 -0.695 1.00 0.00 N ATOM 335 CA VAL A 25 -19.137 -6.758 -1.023 1.00 0.00 C ATOM 336 C VAL A 25 -19.509 -6.493 -2.478 1.00 0.00 C ATOM 337 O VAL A 25 -19.814 -7.419 -3.230 1.00 0.00 O ATOM 338 CB VAL A 25 -17.700 -6.260 -0.774 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.165 -6.810 0.539 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.794 -6.648 -1.933 1.00 0.00 C ATOM 0 H VAL A 25 -19.066 -8.806 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.820 -6.214 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.717 -5.172 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.149 -6.448 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.801 -6.478 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.160 -7.899 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.783 -6.289 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.780 -7.733 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.169 -6.201 -2.854 1.00 0.00 H new ATOM 350 N HIS A 26 -19.483 -5.222 -2.868 1.00 0.00 N ATOM 351 CA HIS A 26 -19.817 -4.835 -4.234 1.00 0.00 C ATOM 352 C HIS A 26 -18.634 -4.148 -4.909 1.00 0.00 C ATOM 353 O HIS A 26 -18.144 -3.123 -4.433 1.00 0.00 O ATOM 354 CB HIS A 26 -21.032 -3.906 -4.240 1.00 0.00 C ATOM 355 CG HIS A 26 -22.276 -4.552 -4.767 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.400 -5.001 -6.065 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.456 -4.824 -4.162 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.602 -5.520 -6.236 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.263 -5.426 -5.096 1.00 0.00 N ATOM 0 H HIS A 26 -19.234 -4.443 -2.258 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.057 -5.739 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.216 -3.556 -3.224 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.805 -3.028 -4.844 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.715 -4.608 -3.136 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -23.981 -5.949 -7.152 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -25.217 -5.748 -4.936 1.00 0.00 H new ATOM 367 N TYR A 27 -18.178 -4.720 -6.018 1.00 0.00 N ATOM 368 CA TYR A 27 -17.050 -4.165 -6.756 1.00 0.00 C ATOM 369 C TYR A 27 -17.527 -3.416 -7.997 1.00 0.00 C ATOM 370 O TYR A 27 -18.436 -3.863 -8.696 1.00 0.00 O ATOM 371 CB TYR A 27 -16.081 -5.277 -7.160 1.00 0.00 C ATOM 372 CG TYR A 27 -16.681 -6.288 -8.111 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.723 -6.045 -9.478 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.205 -7.487 -7.642 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.271 -6.965 -10.351 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.753 -8.413 -8.508 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.785 -8.148 -9.861 1.00 0.00 C ATOM 378 OH TYR A 27 -18.330 -9.067 -10.727 1.00 0.00 O ATOM 0 H TYR A 27 -18.572 -5.568 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.533 -3.461 -6.104 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.202 -4.830 -7.625 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.739 -5.793 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.320 -5.121 -9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.183 -7.698 -6.583 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.297 -6.759 -11.411 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.155 -9.340 -8.127 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.646 -9.845 -10.222 1.00 0.00 H new ATOM 388 N THR A 28 -16.905 -2.272 -8.264 1.00 0.00 N ATOM 389 CA THR A 28 -17.264 -1.458 -9.419 1.00 0.00 C ATOM 390 C THR A 28 -16.023 -1.003 -10.179 1.00 0.00 C ATOM 391 O THR A 28 -15.117 -0.401 -9.604 1.00 0.00 O ATOM 392 CB THR A 28 -18.080 -0.220 -9.002 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.313 -0.626 -8.399 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.365 0.670 -10.203 1.00 0.00 C ATOM 0 H THR A 28 -16.150 -1.888 -7.696 1.00 0.00 H new ATOM 0 HA THR A 28 -17.875 -2.084 -10.069 1.00 0.00 H new ATOM 0 HB THR A 28 -17.493 0.348 -8.280 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.825 0.167 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.942 1.538 -9.884 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.424 1.002 -10.642 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.933 0.109 -10.945 1.00 0.00 H new ATOM 402 N GLY A 29 -15.988 -1.295 -11.475 1.00 0.00 N ATOM 403 CA GLY A 29 -14.853 -0.908 -12.293 1.00 0.00 C ATOM 404 C GLY A 29 -14.711 0.597 -12.411 1.00 0.00 C ATOM 405 O GLY A 29 -15.705 1.317 -12.506 1.00 0.00 O ATOM 0 H GLY A 29 -16.725 -1.793 -11.974 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.941 -1.324 -11.864 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.962 -1.339 -13.288 1.00 0.00 H new ATOM 409 N THR A 30 -13.470 1.074 -12.404 1.00 0.00 N ATOM 410 CA THR A 30 -13.201 2.503 -12.508 1.00 0.00 C ATOM 411 C THR A 30 -11.725 2.765 -12.790 1.00 0.00 C ATOM 412 O THR A 30 -10.850 2.078 -12.261 1.00 0.00 O ATOM 413 CB THR A 30 -13.606 3.247 -11.222 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.185 2.329 -10.287 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.598 4.358 -11.529 1.00 0.00 C ATOM 0 H THR A 30 -12.636 0.492 -12.327 1.00 0.00 H new ATOM 0 HA THR A 30 -13.800 2.877 -13.338 1.00 0.00 H new ATOM 0 HB THR A 30 -12.710 3.691 -10.788 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.496 1.710 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.869 4.869 -10.605 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.145 5.070 -12.218 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.492 3.932 -11.984 1.00 0.00 H new ATOM 423 N LEU A 31 -11.456 3.763 -13.624 1.00 0.00 N ATOM 424 CA LEU A 31 -10.085 4.117 -13.975 1.00 0.00 C ATOM 425 C LEU A 31 -9.598 5.301 -13.145 1.00 0.00 C ATOM 426 O LEU A 31 -10.398 6.052 -12.589 1.00 0.00 O ATOM 427 CB LEU A 31 -9.989 4.450 -15.465 1.00 0.00 C ATOM 428 CG LEU A 31 -9.932 3.255 -16.418 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.851 3.727 -17.861 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.749 2.359 -16.080 1.00 0.00 C ATOM 0 H LEU A 31 -12.168 4.341 -14.070 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.448 3.259 -13.759 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.848 5.064 -15.736 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.099 5.059 -15.624 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.847 2.675 -16.298 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.811 2.863 -18.525 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.730 4.326 -18.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.953 4.330 -17.997 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.724 1.514 -16.768 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.824 2.928 -16.171 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.851 1.992 -15.059 1.00 0.00 H new ATOM 442 N ALA A 32 -8.281 5.462 -13.069 1.00 0.00 N ATOM 443 CA ALA A 32 -7.688 6.557 -12.311 1.00 0.00 C ATOM 444 C ALA A 32 -8.166 7.907 -12.832 1.00 0.00 C ATOM 445 O ALA A 32 -8.117 8.911 -12.121 1.00 0.00 O ATOM 446 CB ALA A 32 -6.170 6.475 -12.367 1.00 0.00 C ATOM 0 H ALA A 32 -7.605 4.848 -13.523 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.008 6.464 -11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.740 7.299 -11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.841 5.527 -11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.840 6.540 -13.404 1.00 0.00 H new ATOM 452 N ASP A 33 -8.629 7.926 -14.078 1.00 0.00 N ATOM 453 CA ASP A 33 -9.117 9.154 -14.694 1.00 0.00 C ATOM 454 C ASP A 33 -10.577 9.402 -14.330 1.00 0.00 C ATOM 455 O ASP A 33 -11.097 10.501 -14.519 1.00 0.00 O ATOM 456 CB ASP A 33 -8.962 9.083 -16.214 1.00 0.00 C ATOM 457 CG ASP A 33 -7.510 9.021 -16.646 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.720 9.878 -16.198 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.164 8.115 -17.432 1.00 0.00 O ATOM 0 H ASP A 33 -8.676 7.104 -14.681 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.521 9.984 -14.314 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.487 8.205 -16.589 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.435 9.955 -16.666 1.00 0.00 H new ATOM 464 N GLY A 34 -11.234 8.371 -13.806 1.00 0.00 N ATOM 465 CA GLY A 34 -12.629 8.498 -13.425 1.00 0.00 C ATOM 466 C GLY A 34 -13.550 7.692 -14.320 1.00 0.00 C ATOM 467 O GLY A 34 -14.708 7.451 -13.977 1.00 0.00 O ATOM 0 H GLY A 34 -10.826 7.451 -13.639 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.752 8.170 -12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.919 9.548 -13.462 1.00 0.00 H new ATOM 471 N LYS A 35 -13.036 7.275 -15.472 1.00 0.00 N ATOM 472 CA LYS A 35 -13.820 6.493 -16.421 1.00 0.00 C ATOM 473 C LYS A 35 -14.467 5.294 -15.734 1.00 0.00 C ATOM 474 O LYS A 35 -13.777 4.432 -15.189 1.00 0.00 O ATOM 475 CB LYS A 35 -12.935 6.017 -17.575 1.00 0.00 C ATOM 476 CG LYS A 35 -13.296 6.635 -18.914 1.00 0.00 C ATOM 477 CD LYS A 35 -14.737 6.339 -19.295 1.00 0.00 C ATOM 478 CE LYS A 35 -15.031 6.752 -20.728 1.00 0.00 C ATOM 479 NZ LYS A 35 -16.491 6.920 -20.969 1.00 0.00 N ATOM 0 H LYS A 35 -12.080 7.466 -15.771 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.609 7.132 -16.817 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.896 6.251 -17.345 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.008 4.932 -17.654 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.145 7.714 -18.871 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.629 6.250 -19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.935 5.274 -19.174 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.409 6.867 -18.618 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.517 7.687 -20.949 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.634 6.001 -21.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.650 7.202 -21.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.979 6.021 -20.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.865 7.655 -20.335 1.00 0.00 H new ATOM 493 N VAL A 36 -15.795 5.245 -15.766 1.00 0.00 N ATOM 494 CA VAL A 36 -16.534 4.150 -15.149 1.00 0.00 C ATOM 495 C VAL A 36 -16.435 2.879 -15.985 1.00 0.00 C ATOM 496 O VAL A 36 -16.387 2.934 -17.214 1.00 0.00 O ATOM 497 CB VAL A 36 -18.019 4.512 -14.960 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.739 4.532 -16.300 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.687 3.538 -14.001 1.00 0.00 C ATOM 0 H VAL A 36 -16.381 5.951 -16.212 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.083 3.975 -14.172 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.079 5.511 -14.528 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.787 4.790 -16.146 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.275 5.273 -16.951 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.672 3.548 -16.764 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.736 3.809 -13.879 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.618 2.527 -14.402 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.187 3.579 -13.033 1.00 0.00 H new ATOM 509 N PHE A 37 -16.404 1.735 -15.311 1.00 0.00 N ATOM 510 CA PHE A 37 -16.310 0.449 -15.992 1.00 0.00 C ATOM 511 C PHE A 37 -17.374 -0.517 -15.479 1.00 0.00 C ATOM 512 O PHE A 37 -18.227 -0.147 -14.673 1.00 0.00 O ATOM 513 CB PHE A 37 -14.919 -0.156 -15.795 1.00 0.00 C ATOM 514 CG PHE A 37 -13.945 0.215 -16.876 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.515 1.524 -17.021 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.459 -0.746 -17.749 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.619 1.869 -18.015 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.563 -0.407 -18.744 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.143 0.902 -18.879 1.00 0.00 C ATOM 0 H PHE A 37 -16.443 1.672 -14.294 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.479 0.616 -17.056 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.523 0.169 -14.833 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.006 -1.242 -15.753 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.885 2.284 -16.349 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.785 -1.771 -17.650 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.291 2.893 -18.116 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.191 -1.166 -19.417 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.444 1.169 -19.658 1.00 0.00 H new ATOM 529 N ASP A 38 -17.318 -1.757 -15.954 1.00 0.00 N ATOM 530 CA ASP A 38 -18.275 -2.777 -15.544 1.00 0.00 C ATOM 531 C ASP A 38 -18.283 -2.937 -14.027 1.00 0.00 C ATOM 532 O ASP A 38 -17.234 -3.100 -13.405 1.00 0.00 O ATOM 533 CB ASP A 38 -17.944 -4.114 -16.209 1.00 0.00 C ATOM 534 CG ASP A 38 -19.175 -4.969 -16.435 1.00 0.00 C ATOM 535 OD1 ASP A 38 -19.650 -5.594 -15.464 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.663 -5.014 -17.584 1.00 0.00 O ATOM 0 H ASP A 38 -16.619 -2.079 -16.624 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.267 -2.458 -15.862 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.453 -3.929 -17.165 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.235 -4.660 -15.587 1.00 0.00 H new ATOM 541 N SER A 39 -19.474 -2.888 -13.438 1.00 0.00 N ATOM 542 CA SER A 39 -19.618 -3.022 -11.994 1.00 0.00 C ATOM 543 C SER A 39 -20.571 -4.162 -11.646 1.00 0.00 C ATOM 544 O SER A 39 -21.491 -4.469 -12.404 1.00 0.00 O ATOM 545 CB SER A 39 -20.128 -1.713 -11.387 1.00 0.00 C ATOM 546 OG SER A 39 -21.525 -1.573 -11.577 1.00 0.00 O ATOM 0 H SER A 39 -20.353 -2.756 -13.939 1.00 0.00 H new ATOM 0 HA SER A 39 -18.638 -3.251 -11.576 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.899 -1.689 -10.322 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.609 -0.870 -11.844 1.00 0.00 H new ATOM 0 HG SER A 39 -21.826 -0.730 -11.179 1.00 0.00 H new ATOM 552 N SER A 40 -20.343 -4.786 -10.495 1.00 0.00 N ATOM 553 CA SER A 40 -21.177 -5.895 -10.048 1.00 0.00 C ATOM 554 C SER A 40 -22.570 -5.406 -9.664 1.00 0.00 C ATOM 555 O SER A 40 -23.522 -6.185 -9.614 1.00 0.00 O ATOM 556 CB SER A 40 -20.527 -6.603 -8.858 1.00 0.00 C ATOM 557 OG SER A 40 -20.584 -8.011 -9.008 1.00 0.00 O ATOM 0 H SER A 40 -19.587 -4.542 -9.855 1.00 0.00 H new ATOM 0 HA SER A 40 -21.273 -6.601 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.488 -6.286 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.032 -6.312 -7.937 1.00 0.00 H new ATOM 0 HG SER A 40 -19.700 -8.349 -9.263 1.00 0.00 H new ATOM 668 N PHE A 47 -20.969 -9.669 -4.829 1.00 0.00 N ATOM 669 CA PHE A 47 -20.022 -10.777 -4.863 1.00 0.00 C ATOM 670 C PHE A 47 -19.310 -10.925 -3.521 1.00 0.00 C ATOM 671 O PHE A 47 -19.103 -9.946 -2.805 1.00 0.00 O ATOM 672 CB PHE A 47 -18.995 -10.564 -5.977 1.00 0.00 C ATOM 673 CG PHE A 47 -18.246 -11.811 -6.349 1.00 0.00 C ATOM 674 CD1 PHE A 47 -18.858 -12.808 -7.091 1.00 0.00 C ATOM 675 CD2 PHE A 47 -16.929 -11.987 -5.955 1.00 0.00 C ATOM 676 CE1 PHE A 47 -18.171 -13.957 -7.435 1.00 0.00 C ATOM 677 CE2 PHE A 47 -16.237 -13.134 -6.296 1.00 0.00 C ATOM 678 CZ PHE A 47 -16.859 -14.121 -7.036 1.00 0.00 C ATOM 0 HA PHE A 47 -20.579 -11.692 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -19.504 -10.178 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -18.282 -9.802 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -19.884 -12.686 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.438 -11.220 -5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.660 -14.726 -8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.211 -13.259 -5.984 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.321 -15.019 -7.302 1.00 0.00 H new ATOM 688 N ARG A 48 -18.939 -12.157 -3.189 1.00 0.00 N ATOM 689 CA ARG A 48 -18.252 -12.435 -1.933 1.00 0.00 C ATOM 690 C ARG A 48 -17.073 -13.378 -2.156 1.00 0.00 C ATOM 691 O ARG A 48 -16.941 -13.985 -3.219 1.00 0.00 O ATOM 692 CB ARG A 48 -19.222 -13.045 -0.920 1.00 0.00 C ATOM 693 CG ARG A 48 -19.296 -14.562 -0.985 1.00 0.00 C ATOM 694 CD ARG A 48 -19.677 -15.043 -2.376 1.00 0.00 C ATOM 695 NE ARG A 48 -20.555 -16.209 -2.331 1.00 0.00 N ATOM 696 CZ ARG A 48 -21.298 -16.610 -3.357 1.00 0.00 C ATOM 697 NH1 ARG A 48 -21.269 -15.942 -4.501 1.00 0.00 N ATOM 698 NH2 ARG A 48 -22.072 -17.681 -3.238 1.00 0.00 N ATOM 0 H ARG A 48 -19.102 -12.978 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.872 -11.492 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -18.920 -12.747 0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.217 -12.634 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -18.332 -14.987 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.027 -14.923 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -20.173 -14.236 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.774 -15.291 -2.934 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.600 -16.745 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.675 -15.118 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.840 -16.252 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -22.097 -18.197 -2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.642 -17.988 -4.026 1.00 0.00 H new ATOM 712 N PHE A 49 -16.217 -13.496 -1.146 1.00 0.00 N ATOM 713 CA PHE A 49 -15.048 -14.364 -1.231 1.00 0.00 C ATOM 714 C PHE A 49 -14.334 -14.449 0.115 1.00 0.00 C ATOM 715 O PHE A 49 -14.655 -13.714 1.049 1.00 0.00 O ATOM 716 CB PHE A 49 -14.083 -13.851 -2.302 1.00 0.00 C ATOM 717 CG PHE A 49 -13.572 -12.464 -2.033 1.00 0.00 C ATOM 718 CD1 PHE A 49 -14.271 -11.355 -2.480 1.00 0.00 C ATOM 719 CD2 PHE A 49 -12.391 -12.271 -1.333 1.00 0.00 C ATOM 720 CE1 PHE A 49 -13.804 -10.078 -2.234 1.00 0.00 C ATOM 721 CE2 PHE A 49 -11.919 -10.996 -1.084 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.626 -9.898 -1.535 1.00 0.00 C ATOM 0 H PHE A 49 -16.311 -13.001 -0.259 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.387 -15.363 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.237 -14.534 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.586 -13.863 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -15.192 -11.490 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.834 -13.126 -0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -14.359 -9.222 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -10.998 -10.858 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.259 -8.901 -1.342 1.00 0.00 H new ATOM 732 N THR A 50 -13.364 -15.353 0.207 1.00 0.00 N ATOM 733 CA THR A 50 -12.605 -15.537 1.438 1.00 0.00 C ATOM 734 C THR A 50 -11.436 -14.562 1.513 1.00 0.00 C ATOM 735 O THR A 50 -10.433 -14.724 0.819 1.00 0.00 O ATOM 736 CB THR A 50 -12.068 -16.975 1.557 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.156 -17.905 1.573 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.235 -17.139 2.819 1.00 0.00 C ATOM 0 H THR A 50 -13.085 -15.969 -0.556 1.00 0.00 H new ATOM 0 HA THR A 50 -13.290 -15.344 2.264 1.00 0.00 H new ATOM 0 HB THR A 50 -11.433 -17.175 0.694 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.806 -18.817 1.647 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.867 -18.163 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.390 -16.451 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.850 -16.921 3.692 1.00 0.00 H new ATOM 746 N VAL A 51 -11.571 -13.548 2.362 1.00 0.00 N ATOM 747 CA VAL A 51 -10.524 -12.547 2.531 1.00 0.00 C ATOM 748 C VAL A 51 -9.252 -13.171 3.092 1.00 0.00 C ATOM 749 O VAL A 51 -9.132 -13.383 4.298 1.00 0.00 O ATOM 750 CB VAL A 51 -10.980 -11.409 3.464 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.973 -10.270 3.449 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.362 -10.915 3.065 1.00 0.00 C ATOM 0 H VAL A 51 -12.395 -13.398 2.944 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.318 -12.136 1.543 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.038 -11.797 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.312 -9.476 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.004 -10.637 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.880 -9.880 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.668 -10.111 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.334 -10.543 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.076 -11.736 3.133 1.00 0.00 H new ATOM 762 N GLY A 52 -8.303 -13.464 2.208 1.00 0.00 N ATOM 763 CA GLY A 52 -7.051 -14.061 2.635 1.00 0.00 C ATOM 764 C GLY A 52 -6.691 -15.293 1.828 1.00 0.00 C ATOM 765 O GLY A 52 -5.550 -15.753 1.860 1.00 0.00 O ATOM 0 H GLY A 52 -8.379 -13.299 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.252 -13.325 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.121 -14.329 3.689 1.00 0.00 H new ATOM 769 N ARG A 53 -7.668 -15.829 1.102 1.00 0.00 N ATOM 770 CA ARG A 53 -7.449 -17.017 0.286 1.00 0.00 C ATOM 771 C ARG A 53 -6.803 -16.649 -1.047 1.00 0.00 C ATOM 772 O ARG A 53 -6.538 -15.479 -1.318 1.00 0.00 O ATOM 773 CB ARG A 53 -8.773 -17.743 0.040 1.00 0.00 C ATOM 774 CG ARG A 53 -9.102 -18.784 1.098 1.00 0.00 C ATOM 775 CD ARG A 53 -8.168 -19.980 1.012 1.00 0.00 C ATOM 776 NE ARG A 53 -8.779 -21.191 1.554 1.00 0.00 N ATOM 777 CZ ARG A 53 -8.926 -21.422 2.853 1.00 0.00 C ATOM 778 NH1 ARG A 53 -8.509 -20.529 3.740 1.00 0.00 N ATOM 779 NH2 ARG A 53 -9.492 -22.548 3.269 1.00 0.00 N ATOM 0 H ARG A 53 -8.618 -15.459 1.063 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.774 -17.680 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.578 -17.009 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.736 -18.228 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.028 -18.334 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.133 -19.116 0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.890 -20.149 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.249 -19.762 1.557 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.111 -21.898 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.074 -19.662 3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.623 -20.709 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.815 -23.238 2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.604 -22.724 4.267 1.00 0.00 H new ATOM 793 N GLY A 54 -6.551 -17.658 -1.875 1.00 0.00 N ATOM 794 CA GLY A 54 -5.938 -17.421 -3.169 1.00 0.00 C ATOM 795 C GLY A 54 -6.950 -17.408 -4.297 1.00 0.00 C ATOM 796 O GLY A 54 -6.595 -17.594 -5.460 1.00 0.00 O ATOM 0 H GLY A 54 -6.760 -18.636 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.410 -16.468 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.194 -18.194 -3.362 1.00 0.00 H new ATOM 800 N GLU A 55 -8.216 -17.190 -3.952 1.00 0.00 N ATOM 801 CA GLU A 55 -9.282 -17.156 -4.945 1.00 0.00 C ATOM 802 C GLU A 55 -9.416 -15.763 -5.553 1.00 0.00 C ATOM 803 O GLU A 55 -9.868 -15.609 -6.687 1.00 0.00 O ATOM 804 CB GLU A 55 -10.611 -17.579 -4.314 1.00 0.00 C ATOM 805 CG GLU A 55 -10.593 -18.989 -3.746 1.00 0.00 C ATOM 806 CD GLU A 55 -10.566 -20.053 -4.826 1.00 0.00 C ATOM 807 OE1 GLU A 55 -9.456 -20.433 -5.256 1.00 0.00 O ATOM 808 OE2 GLU A 55 -11.653 -20.504 -5.242 1.00 0.00 O ATOM 0 H GLU A 55 -8.527 -17.035 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.025 -17.857 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.865 -16.879 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.399 -17.508 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.720 -19.107 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.473 -19.135 -3.119 1.00 0.00 H new ATOM 815 N VAL A 56 -9.021 -14.750 -4.788 1.00 0.00 N ATOM 816 CA VAL A 56 -9.096 -13.369 -5.250 1.00 0.00 C ATOM 817 C VAL A 56 -7.704 -12.786 -5.468 1.00 0.00 C ATOM 818 O VAL A 56 -6.698 -13.473 -5.290 1.00 0.00 O ATOM 819 CB VAL A 56 -9.860 -12.483 -4.248 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.353 -12.768 -4.313 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.330 -12.694 -2.838 1.00 0.00 C ATOM 0 H VAL A 56 -8.646 -14.860 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.634 -13.381 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.701 -11.439 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.876 -12.133 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.719 -12.561 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.535 -13.815 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.881 -12.060 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.456 -13.739 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.272 -12.434 -2.804 1.00 0.00 H new ATOM 831 N ILE A 57 -7.654 -11.516 -5.854 1.00 0.00 N ATOM 832 CA ILE A 57 -6.386 -10.840 -6.094 1.00 0.00 C ATOM 833 C ILE A 57 -5.909 -10.104 -4.847 1.00 0.00 C ATOM 834 O ILE A 57 -6.703 -9.782 -3.963 1.00 0.00 O ATOM 835 CB ILE A 57 -6.494 -9.837 -7.258 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.647 -8.861 -7.014 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.686 -10.573 -8.576 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.376 -7.465 -7.530 1.00 0.00 C ATOM 0 H ILE A 57 -8.478 -10.934 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.663 -11.612 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.566 -9.267 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.547 -9.248 -7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.850 -8.811 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.761 -9.850 -9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.835 -11.231 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.600 -11.165 -8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.235 -6.827 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.495 -7.059 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.203 -7.502 -8.605 1.00 0.00 H new ATOM 850 N ARG A 58 -4.608 -9.839 -4.783 1.00 0.00 N ATOM 851 CA ARG A 58 -4.026 -9.140 -3.644 1.00 0.00 C ATOM 852 C ARG A 58 -4.793 -7.855 -3.344 1.00 0.00 C ATOM 853 O ARG A 58 -5.105 -7.561 -2.191 1.00 0.00 O ATOM 854 CB ARG A 58 -2.555 -8.818 -3.914 1.00 0.00 C ATOM 855 CG ARG A 58 -1.700 -10.047 -4.173 1.00 0.00 C ATOM 856 CD ARG A 58 -1.305 -10.735 -2.875 1.00 0.00 C ATOM 857 NE ARG A 58 -0.217 -10.037 -2.195 1.00 0.00 N ATOM 858 CZ ARG A 58 0.121 -10.259 -0.930 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.540 -11.156 -0.211 1.00 0.00 N ATOM 860 NH2 ARG A 58 1.123 -9.584 -0.381 1.00 0.00 N ATOM 0 H ARG A 58 -3.937 -10.098 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.094 -9.794 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.490 -8.152 -4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.148 -8.276 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.248 -10.746 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.803 -9.759 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.171 -10.788 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.002 -11.761 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 58 0.312 -9.341 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.310 -11.678 -0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.278 -11.324 0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.635 -8.894 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.382 -9.755 0.591 1.00 0.00 H new ATOM 874 N GLY A 59 -5.093 -7.093 -4.392 1.00 0.00 N ATOM 875 CA GLY A 59 -5.820 -5.849 -4.220 1.00 0.00 C ATOM 876 C GLY A 59 -7.064 -6.017 -3.370 1.00 0.00 C ATOM 877 O GLY A 59 -7.184 -5.407 -2.307 1.00 0.00 O ATOM 0 H GLY A 59 -4.846 -7.315 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.165 -5.110 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.102 -5.458 -5.198 1.00 0.00 H new ATOM 881 N TRP A 60 -7.991 -6.844 -3.839 1.00 0.00 N ATOM 882 CA TRP A 60 -9.233 -7.088 -3.115 1.00 0.00 C ATOM 883 C TRP A 60 -8.951 -7.571 -1.696 1.00 0.00 C ATOM 884 O TRP A 60 -9.589 -7.127 -0.742 1.00 0.00 O ATOM 885 CB TRP A 60 -10.086 -8.119 -3.857 1.00 0.00 C ATOM 886 CG TRP A 60 -10.765 -7.564 -5.072 1.00 0.00 C ATOM 887 CD1 TRP A 60 -11.002 -6.247 -5.349 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.297 -8.309 -6.173 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.649 -6.130 -6.556 1.00 0.00 N ATOM 890 CE2 TRP A 60 -11.840 -7.380 -7.081 1.00 0.00 C ATOM 891 CE3 TRP A 60 -11.364 -9.671 -6.480 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -12.444 -7.771 -8.274 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -11.964 -10.057 -7.664 1.00 0.00 C ATOM 894 CH2 TRP A 60 -12.496 -9.111 -8.549 1.00 0.00 C ATOM 0 H TRP A 60 -7.906 -7.357 -4.717 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.781 -6.147 -3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.455 -8.957 -4.153 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.840 -8.513 -3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.722 -5.420 -4.713 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.940 -5.254 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -10.955 -10.408 -5.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -12.856 -7.043 -8.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -12.024 -11.107 -7.911 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -12.957 -9.445 -9.467 1.00 0.00 H new ATOM 905 N ASP A 61 -7.991 -8.480 -1.566 1.00 0.00 N ATOM 906 CA ASP A 61 -7.624 -9.021 -0.262 1.00 0.00 C ATOM 907 C ASP A 61 -7.396 -7.901 0.747 1.00 0.00 C ATOM 908 O ASP A 61 -8.115 -7.792 1.740 1.00 0.00 O ATOM 909 CB ASP A 61 -6.364 -9.881 -0.380 1.00 0.00 C ATOM 910 CG ASP A 61 -6.407 -11.097 0.524 1.00 0.00 C ATOM 911 OD1 ASP A 61 -6.934 -10.981 1.650 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.912 -12.166 0.106 1.00 0.00 O ATOM 0 H ASP A 61 -7.453 -8.857 -2.346 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.448 -9.641 0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.244 -10.204 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.491 -9.278 -0.131 1.00 0.00 H new ATOM 917 N GLU A 62 -6.391 -7.071 0.486 1.00 0.00 N ATOM 918 CA GLU A 62 -6.069 -5.960 1.374 1.00 0.00 C ATOM 919 C GLU A 62 -7.210 -4.947 1.414 1.00 0.00 C ATOM 920 O GLU A 62 -7.607 -4.485 2.483 1.00 0.00 O ATOM 921 CB GLU A 62 -4.779 -5.273 0.921 1.00 0.00 C ATOM 922 CG GLU A 62 -3.517 -5.959 1.418 1.00 0.00 C ATOM 923 CD GLU A 62 -2.303 -5.052 1.372 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.358 -3.955 1.966 1.00 0.00 O ATOM 925 OE2 GLU A 62 -1.297 -5.440 0.742 1.00 0.00 O ATOM 0 H GLU A 62 -5.786 -7.147 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.926 -6.361 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.759 -5.239 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.784 -4.241 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.672 -6.300 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.327 -6.845 0.812 1.00 0.00 H new ATOM 932 N GLY A 63 -7.732 -4.605 0.240 1.00 0.00 N ATOM 933 CA GLY A 63 -8.821 -3.649 0.162 1.00 0.00 C ATOM 934 C GLY A 63 -9.968 -4.000 1.090 1.00 0.00 C ATOM 935 O GLY A 63 -10.283 -3.248 2.012 1.00 0.00 O ATOM 0 H GLY A 63 -7.420 -4.973 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.447 -2.656 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.188 -3.604 -0.863 1.00 0.00 H new ATOM 939 N VAL A 64 -10.595 -5.146 0.845 1.00 0.00 N ATOM 940 CA VAL A 64 -11.715 -5.595 1.664 1.00 0.00 C ATOM 941 C VAL A 64 -11.282 -5.823 3.108 1.00 0.00 C ATOM 942 O VAL A 64 -12.056 -5.608 4.040 1.00 0.00 O ATOM 943 CB VAL A 64 -12.328 -6.895 1.112 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.377 -8.064 1.318 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.673 -7.170 1.768 1.00 0.00 C ATOM 0 H VAL A 64 -10.347 -5.781 0.086 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.467 -4.806 1.633 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.489 -6.773 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.828 -8.974 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.440 -7.867 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.181 -8.190 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.092 -8.092 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.539 -7.271 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.353 -6.343 1.564 1.00 0.00 H new ATOM 955 N ALA A 65 -10.039 -6.259 3.285 1.00 0.00 N ATOM 956 CA ALA A 65 -9.502 -6.514 4.616 1.00 0.00 C ATOM 957 C ALA A 65 -9.574 -5.264 5.486 1.00 0.00 C ATOM 958 O ALA A 65 -9.880 -5.341 6.675 1.00 0.00 O ATOM 959 CB ALA A 65 -8.067 -7.010 4.520 1.00 0.00 C ATOM 0 H ALA A 65 -9.385 -6.443 2.524 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.112 -7.287 5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.679 -7.196 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.039 -7.934 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.453 -6.256 4.028 1.00 0.00 H new ATOM 965 N GLN A 66 -9.288 -4.113 4.885 1.00 0.00 N ATOM 966 CA GLN A 66 -9.320 -2.846 5.607 1.00 0.00 C ATOM 967 C GLN A 66 -10.653 -2.135 5.399 1.00 0.00 C ATOM 968 O GLN A 66 -10.741 -0.914 5.525 1.00 0.00 O ATOM 969 CB GLN A 66 -8.171 -1.946 5.149 1.00 0.00 C ATOM 970 CG GLN A 66 -6.794 -2.519 5.445 1.00 0.00 C ATOM 971 CD GLN A 66 -5.705 -1.883 4.604 1.00 0.00 C ATOM 972 OE1 GLN A 66 -4.851 -1.160 5.118 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.728 -2.150 3.304 1.00 0.00 N ATOM 0 H GLN A 66 -9.032 -4.032 3.901 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.205 -3.058 6.670 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.261 -1.774 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.264 -0.976 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.564 -2.375 6.501 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.806 -3.594 5.265 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.454 -2.755 2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.019 -1.751 2.689 1.00 0.00 H new ATOM 982 N MET A 67 -11.687 -2.906 5.082 1.00 0.00 N ATOM 983 CA MET A 67 -13.016 -2.349 4.858 1.00 0.00 C ATOM 984 C MET A 67 -13.979 -2.781 5.959 1.00 0.00 C ATOM 985 O MET A 67 -13.767 -3.799 6.618 1.00 0.00 O ATOM 986 CB MET A 67 -13.553 -2.787 3.494 1.00 0.00 C ATOM 987 CG MET A 67 -12.943 -2.026 2.328 1.00 0.00 C ATOM 988 SD MET A 67 -13.860 -0.528 1.921 1.00 0.00 S ATOM 989 CE MET A 67 -15.337 -1.224 1.185 1.00 0.00 C ATOM 0 H MET A 67 -11.631 -3.919 4.974 1.00 0.00 H new ATOM 0 HA MET A 67 -12.935 -1.262 4.876 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.362 -3.852 3.362 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.635 -2.653 3.478 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.913 -1.763 2.570 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.909 -2.675 1.453 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.931 -0.427 0.738 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.056 -1.943 0.415 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.924 -1.727 1.953 1.00 0.00 H new ATOM 999 N SER A 68 -15.036 -2.000 6.154 1.00 0.00 N ATOM 1000 CA SER A 68 -16.030 -2.300 7.179 1.00 0.00 C ATOM 1001 C SER A 68 -17.412 -2.479 6.560 1.00 0.00 C ATOM 1002 O SER A 68 -17.732 -1.869 5.539 1.00 0.00 O ATOM 1003 CB SER A 68 -16.067 -1.184 8.225 1.00 0.00 C ATOM 1004 OG SER A 68 -16.104 0.092 7.609 1.00 0.00 O ATOM 0 H SER A 68 -15.227 -1.155 5.616 1.00 0.00 H new ATOM 0 HA SER A 68 -15.745 -3.234 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.942 -1.309 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.190 -1.255 8.868 1.00 0.00 H new ATOM 0 HG SER A 68 -15.238 0.278 7.189 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.230 -3.320 7.185 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.579 -3.580 6.697 1.00 0.00 C ATOM 1012 C VAL A 69 -20.352 -2.281 6.501 1.00 0.00 C ATOM 1013 O VAL A 69 -20.473 -1.473 7.422 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.360 -4.489 7.664 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.781 -4.704 7.165 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.642 -5.818 7.843 1.00 0.00 C ATOM 0 H VAL A 69 -17.982 -3.833 8.031 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.477 -4.087 5.737 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.412 -3.997 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.317 -5.349 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.291 -3.743 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.754 -5.174 6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.208 -6.448 8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.557 -6.318 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.646 -5.642 8.250 1.00 0.00 H new ATOM 1026 N GLY A 70 -20.875 -2.085 5.295 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.631 -0.882 4.999 1.00 0.00 C ATOM 1028 C GLY A 70 -20.739 0.288 4.635 1.00 0.00 C ATOM 1029 O GLY A 70 -21.195 1.430 4.580 1.00 0.00 O ATOM 0 H GLY A 70 -20.789 -2.739 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.318 -1.081 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.239 -0.616 5.864 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.465 0.004 4.386 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.507 1.043 4.027 1.00 0.00 C ATOM 1035 C GLN A 71 -18.175 0.986 2.539 1.00 0.00 C ATOM 1036 O GLN A 71 -17.986 -0.092 1.976 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.228 0.895 4.853 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.446 2.190 5.001 1.00 0.00 C ATOM 1039 CD GLN A 71 -14.951 1.989 4.852 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.256 1.677 5.819 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.448 2.166 3.636 1.00 0.00 N ATOM 0 H GLN A 71 -19.072 -0.936 4.426 1.00 0.00 H new ATOM 0 HA GLN A 71 -18.960 2.010 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.486 0.521 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.589 0.146 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.789 2.905 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.655 2.626 5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.061 2.424 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.448 2.044 3.475 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.107 2.154 1.909 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.799 2.237 0.486 1.00 0.00 C ATOM 1052 C ARG A 72 -16.557 3.090 0.247 1.00 0.00 C ATOM 1053 O ARG A 72 -16.401 4.158 0.840 1.00 0.00 O ATOM 1054 CB ARG A 72 -18.987 2.822 -0.281 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.908 2.606 -1.783 1.00 0.00 C ATOM 1056 CD ARG A 72 -20.245 2.872 -2.456 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.847 4.123 -2.002 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.434 5.322 -2.396 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.424 5.433 -3.248 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.033 6.415 -1.938 1.00 0.00 N ATOM 0 H ARG A 72 -18.261 3.055 2.361 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.601 1.228 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.907 2.374 0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.048 3.891 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.149 3.264 -2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.593 1.583 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -20.106 2.908 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.926 2.046 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.627 4.073 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.962 4.596 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.109 6.356 -3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.811 6.334 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.715 7.336 -2.241 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.675 2.611 -0.624 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.447 3.330 -0.942 1.00 0.00 C ATOM 1076 C ALA A 73 -13.860 2.855 -2.266 1.00 0.00 C ATOM 1077 O ALA A 73 -14.262 1.820 -2.800 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.432 3.162 0.179 1.00 0.00 C ATOM 0 H ALA A 73 -15.788 1.728 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.690 4.388 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.520 3.704 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.846 3.557 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.202 2.104 0.306 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.908 3.616 -2.793 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.264 3.273 -4.056 1.00 0.00 C ATOM 1086 C LYS A 74 -10.985 2.477 -3.816 1.00 0.00 C ATOM 1087 O LYS A 74 -10.123 2.888 -3.038 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.946 4.542 -4.851 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.038 5.595 -4.779 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.771 6.741 -5.740 1.00 0.00 C ATOM 1091 CE LYS A 74 -13.126 6.364 -7.170 1.00 0.00 C ATOM 1092 NZ LYS A 74 -14.566 6.605 -7.466 1.00 0.00 N ATOM 0 H LYS A 74 -12.564 4.476 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.954 2.655 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.015 4.970 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.779 4.275 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.000 5.139 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.107 5.980 -3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.351 7.613 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.720 7.024 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.512 6.941 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.892 5.313 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.684 6.801 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.119 5.762 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.902 7.420 -6.914 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.868 1.338 -4.489 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.694 0.484 -4.350 1.00 0.00 C ATOM 1108 C LEU A 75 -8.748 0.662 -5.534 1.00 0.00 C ATOM 1109 O LEU A 75 -8.909 0.019 -6.572 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.115 -0.982 -4.234 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.073 -1.935 -3.648 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.648 -1.475 -2.262 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.618 -3.355 -3.596 1.00 0.00 C ATOM 0 H LEU A 75 -11.572 0.984 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.168 0.777 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.013 -1.034 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.388 -1.340 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.197 -1.927 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.906 -2.166 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.216 -0.476 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.516 -1.453 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.863 -4.019 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.511 -3.379 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.871 -3.685 -4.604 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.760 1.536 -5.370 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.787 1.795 -6.424 1.00 0.00 C ATOM 1127 C VAL A 76 -5.490 1.033 -6.174 1.00 0.00 C ATOM 1128 O VAL A 76 -4.674 1.431 -5.342 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.471 3.299 -6.538 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.119 3.876 -5.176 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.344 3.532 -7.533 1.00 0.00 C ATOM 0 H VAL A 76 -7.613 2.076 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.233 1.452 -7.358 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.360 3.813 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.899 4.939 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.960 3.743 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.245 3.361 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.134 4.599 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.449 3.007 -7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.640 3.157 -8.513 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.308 -0.065 -6.900 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.109 -0.885 -6.757 1.00 0.00 C ATOM 1143 C CYS A 77 -3.436 -1.103 -8.108 1.00 0.00 C ATOM 1144 O CYS A 77 -4.044 -0.891 -9.157 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.461 -2.232 -6.125 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.435 -3.317 -7.194 1.00 0.00 S ATOM 0 H CYS A 77 -5.974 -0.408 -7.592 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.412 -0.357 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.539 -2.744 -5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.015 -2.055 -5.203 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.163 -4.558 -6.917 1.00 0.00 H new ATOM 1152 N SER A 78 -2.176 -1.525 -8.074 1.00 0.00 N ATOM 1153 CA SER A 78 -1.418 -1.766 -9.296 1.00 0.00 C ATOM 1154 C SER A 78 -1.775 -3.122 -9.898 1.00 0.00 C ATOM 1155 O SER A 78 -2.407 -3.965 -9.262 1.00 0.00 O ATOM 1156 CB SER A 78 0.084 -1.702 -9.011 1.00 0.00 C ATOM 1157 OG SER A 78 0.667 -0.555 -9.605 1.00 0.00 O ATOM 0 H SER A 78 -1.659 -1.707 -7.214 1.00 0.00 H new ATOM 0 HA SER A 78 -1.678 -0.989 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.253 -1.683 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.569 -2.600 -9.394 1.00 0.00 H new ATOM 0 HG SER A 78 1.627 -0.536 -9.407 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.360 -3.338 -11.155 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.624 -4.589 -11.872 1.00 0.00 C ATOM 1165 C PRO A 79 -0.829 -5.761 -11.305 1.00 0.00 C ATOM 1166 O PRO A 79 -1.232 -6.917 -11.435 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.173 -4.281 -13.302 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.162 -3.197 -13.155 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.601 -2.377 -11.974 1.00 0.00 C ATOM 0 HA PRO A 79 -2.669 -4.889 -11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.743 -5.161 -13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.011 -3.960 -13.921 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.833 -3.611 -12.994 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.111 -2.586 -14.056 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.250 -1.969 -11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.219 -1.532 -12.279 1.00 0.00 H new ATOM 1177 N ASP A 80 0.300 -5.454 -10.676 1.00 0.00 N ATOM 1178 CA ASP A 80 1.150 -6.482 -10.087 1.00 0.00 C ATOM 1179 C ASP A 80 0.413 -7.229 -8.980 1.00 0.00 C ATOM 1180 O ASP A 80 0.727 -8.380 -8.678 1.00 0.00 O ATOM 1181 CB ASP A 80 2.431 -5.858 -9.532 1.00 0.00 C ATOM 1182 CG ASP A 80 3.513 -5.722 -10.585 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.171 -5.694 -11.786 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.701 -5.644 -10.209 1.00 0.00 O ATOM 0 H ASP A 80 0.648 -4.502 -10.561 1.00 0.00 H new ATOM 0 HA ASP A 80 1.411 -7.194 -10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.204 -4.875 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.803 -6.470 -8.710 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.569 -6.566 -8.378 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.349 -7.166 -7.302 1.00 0.00 C ATOM 1191 C TYR A 81 -2.767 -7.482 -7.768 1.00 0.00 C ATOM 1192 O TYR A 81 -3.659 -7.728 -6.957 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.395 -6.229 -6.094 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.293 -6.482 -5.089 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.980 -6.852 -5.504 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.526 -6.349 -3.726 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.989 -7.085 -4.589 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.477 -6.579 -2.804 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.733 -6.947 -3.241 1.00 0.00 C ATOM 1200 OH TYR A 81 2.736 -7.177 -2.327 1.00 0.00 O ATOM 0 H TYR A 81 -0.843 -5.613 -8.617 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.864 -8.098 -7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.329 -5.198 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.360 -6.337 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.184 -6.959 -6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.508 -6.061 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.973 -7.374 -4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.279 -6.471 -1.748 1.00 0.00 H new ATOM 0 HH TYR A 81 2.391 -7.036 -1.421 1.00 0.00 H new ATOM 1210 N ALA A 82 -2.966 -7.475 -9.082 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.273 -7.764 -9.658 1.00 0.00 C ATOM 1212 C ALA A 82 -4.138 -8.352 -11.059 1.00 0.00 C ATOM 1213 O ALA A 82 -3.053 -8.765 -11.467 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.125 -6.504 -9.693 1.00 0.00 C ATOM 0 H ALA A 82 -2.238 -7.272 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.764 -8.505 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.098 -6.735 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.259 -6.127 -8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.629 -5.746 -10.299 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.247 -8.388 -11.790 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.253 -8.929 -13.144 1.00 0.00 C ATOM 1222 C TYR A 83 -5.014 -7.827 -14.171 1.00 0.00 C ATOM 1223 O TYR A 83 -5.276 -8.004 -15.360 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.583 -9.629 -13.430 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.789 -8.859 -12.942 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.066 -7.585 -13.422 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.653 -9.407 -12.002 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.167 -6.878 -12.979 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.758 -8.707 -11.554 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.010 -7.444 -12.045 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.108 -6.743 -11.602 1.00 0.00 O ATOM 0 H TYR A 83 -6.153 -8.049 -11.467 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.444 -9.655 -13.222 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.676 -9.790 -14.504 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.575 -10.612 -12.959 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.409 -7.140 -14.154 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.458 -10.396 -11.615 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.367 -5.888 -13.362 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.420 -9.147 -10.823 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.044 -5.812 -11.901 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.512 -6.688 -13.703 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.244 -5.574 -14.593 1.00 0.00 C ATOM 1243 C GLY A 84 -3.093 -5.851 -15.539 1.00 0.00 C ATOM 1244 O GLY A 84 -2.992 -5.238 -16.602 1.00 0.00 O ATOM 0 H GLY A 84 -4.286 -6.517 -12.723 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.140 -5.352 -15.172 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.018 -4.687 -14.002 1.00 0.00 H new ATOM 1248 N SER A 85 -2.220 -6.775 -15.151 1.00 0.00 N ATOM 1249 CA SER A 85 -1.066 -7.128 -15.969 1.00 0.00 C ATOM 1250 C SER A 85 -1.484 -7.394 -17.412 1.00 0.00 C ATOM 1251 O SER A 85 -1.198 -6.601 -18.310 1.00 0.00 O ATOM 1252 CB SER A 85 -0.363 -8.359 -15.395 1.00 0.00 C ATOM 1253 OG SER A 85 0.521 -8.000 -14.347 1.00 0.00 O ATOM 0 H SER A 85 -2.290 -7.293 -14.275 1.00 0.00 H new ATOM 0 HA SER A 85 -0.374 -6.286 -15.958 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.105 -9.065 -15.023 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.191 -8.866 -16.185 1.00 0.00 H new ATOM 0 HG SER A 85 0.956 -8.805 -13.996 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.163 -8.516 -17.627 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.620 -8.889 -18.960 1.00 0.00 C ATOM 1261 C ARG A 86 -3.721 -7.948 -19.440 1.00 0.00 C ATOM 1262 O ARG A 86 -3.585 -7.291 -20.472 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.130 -10.331 -18.963 1.00 0.00 C ATOM 1264 CG ARG A 86 -3.608 -10.806 -20.326 1.00 0.00 C ATOM 1265 CD ARG A 86 -4.893 -11.611 -20.216 1.00 0.00 C ATOM 1266 NE ARG A 86 -4.787 -12.678 -19.225 1.00 0.00 N ATOM 1267 CZ ARG A 86 -4.110 -13.803 -19.425 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -3.480 -14.006 -20.574 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -4.060 -14.727 -18.474 1.00 0.00 N ATOM 0 H ARG A 86 -2.409 -9.183 -16.895 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.774 -8.809 -19.642 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.333 -10.990 -18.617 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.949 -10.419 -18.249 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.771 -9.946 -20.976 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.834 -11.416 -20.792 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.715 -10.947 -19.947 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.135 -12.041 -21.188 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.259 -12.552 -18.330 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.515 -13.297 -21.307 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.961 -14.871 -20.725 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.542 -14.574 -17.588 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.540 -15.591 -18.629 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.814 -7.889 -18.685 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.923 -7.026 -19.049 1.00 0.00 C ATOM 1285 C GLY A 87 -6.592 -7.457 -20.340 1.00 0.00 C ATOM 1286 O GLY A 87 -6.346 -8.556 -20.838 1.00 0.00 O ATOM 0 H GLY A 87 -4.951 -8.424 -17.827 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.658 -7.025 -18.245 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.564 -6.002 -19.153 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.442 -6.590 -20.882 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.150 -6.887 -22.122 1.00 0.00 C ATOM 1292 C HIS A 88 -8.524 -5.602 -22.854 1.00 0.00 C ATOM 1293 O HIS A 88 -8.579 -4.519 -22.271 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.407 -7.708 -21.832 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.214 -9.182 -22.011 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.555 -9.729 -23.092 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.597 -10.226 -21.239 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.542 -11.045 -22.978 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.167 -11.372 -21.861 1.00 0.00 N ATOM 0 H HIS A 88 -7.657 -5.677 -20.482 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.486 -7.468 -22.761 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.730 -7.514 -20.809 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.210 -7.373 -22.489 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.140 -10.168 -20.307 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.096 -11.736 -23.678 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.307 -12.322 -21.517 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.789 -5.723 -24.164 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.162 -4.581 -25.004 1.00 0.00 C ATOM 1309 C PRO A 89 -10.552 -4.048 -24.673 1.00 0.00 C ATOM 1310 O PRO A 89 -11.552 -4.744 -24.843 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.136 -5.160 -26.421 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.377 -6.619 -26.239 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.743 -6.983 -24.925 1.00 0.00 C ATOM 0 HA PRO A 89 -8.491 -3.734 -24.862 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.904 -4.707 -27.048 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.178 -4.975 -26.907 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.444 -6.840 -26.232 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.938 -7.192 -27.056 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.292 -7.778 -24.420 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.720 -7.336 -25.056 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.607 -2.807 -24.200 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.879 -2.201 -23.852 1.00 0.00 C ATOM 1323 C GLY A 90 -12.380 -2.643 -22.492 1.00 0.00 C ATOM 1324 O GLY A 90 -13.515 -2.352 -22.115 1.00 0.00 O ATOM 0 H GLY A 90 -9.793 -2.210 -24.051 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.776 -1.116 -23.862 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.619 -2.458 -24.609 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.532 -3.351 -21.752 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.894 -3.835 -20.425 1.00 0.00 C ATOM 1330 C VAL A 91 -10.831 -3.467 -19.397 1.00 0.00 C ATOM 1331 O VAL A 91 -11.139 -2.909 -18.343 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.091 -5.363 -20.420 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.657 -5.824 -19.086 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -12.996 -5.787 -21.567 1.00 0.00 C ATOM 0 H VAL A 91 -10.589 -3.602 -22.049 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.835 -3.354 -20.158 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.120 -5.837 -20.559 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.789 -6.906 -19.101 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.968 -5.554 -18.286 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.620 -5.343 -18.914 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.124 -6.869 -21.548 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.968 -5.305 -21.461 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.545 -5.491 -22.514 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.579 -3.783 -19.709 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.470 -3.484 -18.812 1.00 0.00 C ATOM 1346 C ILE A 92 -7.204 -3.153 -19.595 1.00 0.00 C ATOM 1347 O ILE A 92 -6.835 -3.841 -20.548 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.180 -4.662 -17.863 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.415 -4.981 -17.019 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.989 -4.343 -16.971 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.221 -6.154 -16.084 1.00 0.00 C ATOM 0 H ILE A 92 -9.307 -4.246 -20.576 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.767 -2.617 -18.222 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.936 -5.540 -18.461 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.683 -4.101 -16.434 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.254 -5.190 -17.682 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.797 -5.185 -16.306 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.110 -4.161 -17.589 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.206 -3.455 -16.378 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.137 -6.323 -15.517 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.983 -7.046 -16.664 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.403 -5.940 -15.396 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.519 -2.075 -19.184 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.282 -1.630 -19.832 1.00 0.00 C ATOM 1365 C PRO A 93 -4.120 -2.585 -19.582 1.00 0.00 C ATOM 1366 O PRO A 93 -4.128 -3.378 -18.640 1.00 0.00 O ATOM 1367 CB PRO A 93 -5.009 -0.272 -19.179 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.684 -0.347 -17.853 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.899 -1.209 -18.056 1.00 0.00 C ATOM 0 HA PRO A 93 -5.383 -1.585 -20.916 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.939 -0.093 -19.069 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.408 0.544 -19.781 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.022 -0.777 -17.102 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.964 0.646 -17.501 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.133 -1.790 -17.164 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.781 -0.612 -18.287 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.094 -2.509 -20.443 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.905 -3.359 -20.335 1.00 0.00 C ATOM 1379 C PRO A 94 -1.045 -3.002 -19.128 1.00 0.00 C ATOM 1380 O PRO A 94 -0.284 -2.036 -19.161 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.147 -3.076 -21.635 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.588 -1.712 -22.041 1.00 0.00 C ATOM 1383 CD PRO A 94 -3.017 -1.587 -21.589 1.00 0.00 C ATOM 0 HA PRO A 94 -2.165 -4.408 -20.197 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.069 -3.114 -21.481 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.386 -3.814 -22.401 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.964 -0.947 -21.579 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.507 -1.581 -23.120 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.259 -0.564 -21.299 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.714 -1.868 -22.378 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.171 -3.788 -18.064 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.405 -3.554 -16.845 1.00 0.00 C ATOM 1393 C ASN A 95 -0.496 -2.092 -16.418 1.00 0.00 C ATOM 1394 O ASN A 95 0.510 -1.386 -16.365 1.00 0.00 O ATOM 1395 CB ASN A 95 1.060 -3.944 -17.056 1.00 0.00 C ATOM 1396 CG ASN A 95 1.212 -5.141 -17.975 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.300 -6.281 -17.519 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.245 -4.886 -19.278 1.00 0.00 N ATOM 0 H ASN A 95 -1.796 -4.593 -18.021 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.829 -4.173 -16.054 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.602 -3.096 -17.475 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.516 -4.169 -16.092 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.347 -5.651 -19.945 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.169 -3.925 -19.612 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.710 -1.646 -16.113 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.933 -0.270 -15.687 1.00 0.00 C ATOM 1407 C ALA A 96 -2.743 -0.219 -14.396 1.00 0.00 C ATOM 1408 O ALA A 96 -3.559 -1.101 -14.127 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.636 0.515 -16.785 1.00 0.00 C ATOM 0 H ALA A 96 -2.554 -2.217 -16.153 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.962 0.186 -15.494 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.796 1.541 -16.453 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.019 0.516 -17.683 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.597 0.051 -17.006 1.00 0.00 H new ATOM 1415 N THR A 97 -2.513 0.820 -13.599 1.00 0.00 N ATOM 1416 CA THR A 97 -3.220 0.985 -12.335 1.00 0.00 C ATOM 1417 C THR A 97 -4.730 0.950 -12.541 1.00 0.00 C ATOM 1418 O THR A 97 -5.248 1.513 -13.506 1.00 0.00 O ATOM 1419 CB THR A 97 -2.837 2.308 -11.646 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.480 2.646 -11.953 1.00 0.00 O ATOM 1421 CG2 THR A 97 -3.010 2.203 -10.138 1.00 0.00 C ATOM 0 H THR A 97 -1.842 1.560 -13.807 1.00 0.00 H new ATOM 0 HA THR A 97 -2.924 0.153 -11.696 1.00 0.00 H new ATOM 0 HB THR A 97 -3.499 3.090 -12.018 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.245 3.489 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.733 3.149 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.050 1.975 -9.906 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.370 1.409 -9.753 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.431 0.287 -11.628 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.884 0.179 -11.709 1.00 0.00 C ATOM 1431 C LEU A 98 -7.534 0.570 -10.386 1.00 0.00 C ATOM 1432 O LEU A 98 -6.997 0.293 -9.312 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.289 -1.246 -12.088 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.403 -1.944 -13.121 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.769 -3.416 -13.230 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.523 -1.261 -14.475 1.00 0.00 C ATOM 0 H LEU A 98 -5.017 -0.184 -10.823 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.232 0.866 -12.480 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.302 -1.852 -11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.309 -1.223 -12.471 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.367 -1.872 -12.791 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.128 -3.896 -13.970 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.631 -3.898 -12.262 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.811 -3.510 -13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.886 -1.771 -15.198 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.559 -1.301 -14.812 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.211 -0.220 -14.387 1.00 0.00 H new ATOM 1448 N THR A 99 -8.694 1.214 -10.469 1.00 0.00 N ATOM 1449 CA THR A 99 -9.418 1.642 -9.279 1.00 0.00 C ATOM 1450 C THR A 99 -10.817 1.038 -9.240 1.00 0.00 C ATOM 1451 O THR A 99 -11.724 1.502 -9.932 1.00 0.00 O ATOM 1452 CB THR A 99 -9.531 3.176 -9.212 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.225 3.763 -9.192 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.305 3.608 -7.975 1.00 0.00 C ATOM 0 H THR A 99 -9.152 1.451 -11.349 1.00 0.00 H new ATOM 0 HA THR A 99 -8.849 1.289 -8.419 1.00 0.00 H new ATOM 0 HB THR A 99 -10.069 3.518 -10.096 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.306 4.739 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.372 4.696 -7.949 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.308 3.183 -8.007 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.790 3.255 -7.082 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.987 0.002 -8.426 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.277 -0.666 -8.296 1.00 0.00 C ATOM 1464 C PHE A 100 -12.969 -0.265 -6.997 1.00 0.00 C ATOM 1465 O PHE A 100 -12.453 -0.506 -5.906 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.097 -2.184 -8.344 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.821 -2.712 -9.723 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.590 -2.507 -10.324 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.794 -3.414 -10.417 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -10.333 -2.993 -11.593 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -12.543 -3.901 -11.686 1.00 0.00 C ATOM 1472 CZ PHE A 100 -11.311 -3.690 -12.275 1.00 0.00 C ATOM 0 H PHE A 100 -10.247 -0.394 -7.846 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.904 -0.355 -9.132 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.276 -2.465 -7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -12.996 -2.661 -7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.822 -1.961 -9.796 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.759 -3.582 -9.961 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -9.369 -2.828 -12.050 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -13.309 -4.446 -12.217 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.113 -4.069 -13.267 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.141 0.350 -7.123 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.905 0.784 -5.959 1.00 0.00 C ATOM 1484 C ASP A 101 -15.496 -0.412 -5.220 1.00 0.00 C ATOM 1485 O ASP A 101 -16.297 -1.164 -5.775 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.021 1.740 -6.384 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.633 3.195 -6.215 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.505 3.558 -6.609 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.456 3.972 -5.688 1.00 0.00 O ATOM 0 H ASP A 101 -14.582 0.559 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.227 1.306 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.277 1.554 -7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.915 1.535 -5.795 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.094 -0.582 -3.964 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.584 -1.687 -3.148 1.00 0.00 C ATOM 1496 C VAL A 102 -16.599 -1.202 -2.119 1.00 0.00 C ATOM 1497 O VAL A 102 -16.414 -0.157 -1.496 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.430 -2.400 -2.419 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.956 -3.577 -1.611 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.373 -2.856 -3.413 1.00 0.00 C ATOM 0 H VAL A 102 -14.431 0.031 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.067 -2.392 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.967 -1.694 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.127 -4.069 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.674 -3.220 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.445 -4.287 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.565 -3.358 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.820 -3.546 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.975 -1.991 -3.944 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.671 -1.969 -1.946 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.715 -1.617 -0.991 1.00 0.00 C ATOM 1512 C GLU A 103 -19.103 -2.822 -0.139 1.00 0.00 C ATOM 1513 O GLU A 103 -19.780 -3.737 -0.610 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.946 -1.079 -1.724 1.00 0.00 C ATOM 1515 CG GLU A 103 -21.208 -1.083 -0.878 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.071 -0.247 0.379 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -20.419 -0.717 1.335 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -21.616 0.876 0.408 1.00 0.00 O ATOM 0 H GLU A 103 -17.839 -2.837 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.324 -0.841 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.744 -0.061 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.116 -1.678 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -22.040 -0.705 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.453 -2.109 -0.603 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.669 -2.815 1.116 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.970 -3.908 2.035 1.00 0.00 C ATOM 1527 C LEU A 104 -20.469 -3.997 2.303 1.00 0.00 C ATOM 1528 O LEU A 104 -21.116 -2.995 2.608 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.215 -3.715 3.352 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.770 -4.993 4.063 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.904 -6.005 4.103 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.547 -5.587 3.379 1.00 0.00 C ATOM 0 H LEU A 104 -18.108 -2.066 1.521 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.647 -4.840 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.333 -3.106 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.850 -3.147 4.032 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.501 -4.739 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.568 -6.908 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.752 -5.580 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.206 -6.254 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.245 -6.496 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.789 -5.825 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.730 -4.866 3.404 1.00 0.00 H new ATOM 1544 N LEU A 105 -21.014 -5.203 2.190 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.437 -5.425 2.423 1.00 0.00 C ATOM 1546 C LEU A 105 -22.658 -6.279 3.667 1.00 0.00 C ATOM 1547 O LEU A 105 -23.637 -6.095 4.392 1.00 0.00 O ATOM 1548 CB LEU A 105 -23.073 -6.100 1.207 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.768 -5.171 0.211 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -22.742 -4.433 -0.636 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -24.726 -5.956 -0.673 1.00 0.00 C ATOM 0 H LEU A 105 -20.492 -6.043 1.938 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.910 -4.456 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.298 -6.654 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.801 -6.830 1.561 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.344 -4.435 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -23.255 -3.777 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -22.096 -3.839 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -22.139 -5.154 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.211 -5.278 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -24.172 -6.715 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.482 -6.438 -0.053 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.743 -7.211 3.910 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.838 -8.092 5.067 1.00 0.00 C ATOM 1565 C ARG A 106 -20.618 -9.004 5.158 1.00 0.00 C ATOM 1566 O ARG A 106 -19.830 -9.100 4.217 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.113 -8.934 4.990 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.271 -9.680 3.675 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.693 -10.189 3.491 1.00 0.00 C ATOM 1570 NE ARG A 106 -24.832 -11.000 2.284 1.00 0.00 N ATOM 1571 CZ ARG A 106 -25.851 -11.823 2.066 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -26.816 -11.943 2.967 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -25.907 -12.528 0.943 1.00 0.00 N ATOM 0 H ARG A 106 -20.927 -7.376 3.321 1.00 0.00 H new ATOM 0 HA ARG A 106 -21.874 -7.472 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.113 -9.654 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -23.976 -8.285 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -23.009 -9.021 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.576 -10.519 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -24.982 -10.780 4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -25.377 -9.342 3.440 1.00 0.00 H new ATOM 0 HE ARG A 106 -24.107 -10.930 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -26.777 -11.402 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -27.597 -12.576 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -25.167 -12.438 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -26.690 -13.160 0.776 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.468 -9.672 6.297 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.345 -10.577 6.511 1.00 0.00 C ATOM 1589 C VAL A 107 -19.822 -11.941 6.998 1.00 0.00 C ATOM 1590 O VAL A 107 -20.810 -12.040 7.725 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.346 -10.000 7.532 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.034 -9.744 8.865 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.161 -10.938 7.706 1.00 0.00 C ATOM 0 H VAL A 107 -21.110 -9.604 7.086 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.845 -10.693 5.550 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.974 -9.048 7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.313 -9.337 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -19.847 -9.032 8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.435 -10.680 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.465 -10.515 8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.513 -11.906 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.655 -11.066 6.749 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.114 -12.989 6.591 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.466 -14.348 6.986 1.00 0.00 C ATOM 1605 C GLU A 108 -18.220 -15.147 7.358 1.00 0.00 C ATOM 1606 O GLU A 108 -17.515 -15.656 6.487 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.219 -15.052 5.855 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.606 -14.486 5.602 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.655 -15.077 6.524 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.603 -14.792 7.739 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.526 -15.823 6.032 1.00 0.00 O ATOM 0 H GLU A 108 -18.294 -12.924 5.988 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.112 -14.289 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.633 -14.978 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.306 -16.112 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.582 -13.404 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.889 -14.677 4.567 1.00 0.00 H new