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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 ASN : amide:sc= -2.03 X(o=-2,f=-2.5!) USER MOD Set 2.1: A 68 SER OG : rot -72:sc= -0.359 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.399 X(o=0.04,f=-0.15) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 SER OG : rot 103:sc= 1.68 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.0512 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= -0.0388 (180deg=-0.265) USER MOD Single : A 21 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0284 K(o=-0.028,f=-0.59) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 30 THR OG1 : rot 75:sc= 0.752 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= -0.882 X(o=-0.88,f=-0.98) USER MOD Single : A 67 MET CE :methyl -178:sc= -2.56 (180deg=-2.6) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.225) USER MOD Single : A 77 CYS SG : rot 140:sc=-0.00489 USER MOD Single : A 78 SER OG : rot 180:sc= 0.115 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 1:sc= 1.71 USER MOD Single : A 88 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.8) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0334 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 1.279 -0.503 -3.236 1.00 0.00 N ATOM 19 CA GLY A 2 0.718 -1.272 -4.332 1.00 0.00 C ATOM 20 C GLY A 2 -0.795 -1.198 -4.378 1.00 0.00 C ATOM 21 O GLY A 2 -1.408 -1.504 -5.400 1.00 0.00 O ATOM 0 HA2 GLY A 2 1.125 -0.906 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.025 -2.313 -4.235 1.00 0.00 H new ATOM 25 N VAL A 3 -1.400 -0.792 -3.266 1.00 0.00 N ATOM 26 CA VAL A 3 -2.851 -0.679 -3.182 1.00 0.00 C ATOM 27 C VAL A 3 -3.262 0.450 -2.244 1.00 0.00 C ATOM 28 O VAL A 3 -2.871 0.473 -1.078 1.00 0.00 O ATOM 29 CB VAL A 3 -3.489 -1.994 -2.696 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.878 -2.426 -1.371 1.00 0.00 C ATOM 31 CG2 VAL A 3 -4.997 -1.840 -2.571 1.00 0.00 C ATOM 0 H VAL A 3 -0.907 -0.536 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.210 -0.460 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.286 -2.770 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.341 -3.357 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.806 -2.579 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.049 -1.652 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.431 -2.779 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.224 -1.051 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.418 -1.580 -3.542 1.00 0.00 H new ATOM 41 N GLN A 4 -4.053 1.384 -2.762 1.00 0.00 N ATOM 42 CA GLN A 4 -4.517 2.517 -1.970 1.00 0.00 C ATOM 43 C GLN A 4 -6.033 2.486 -1.811 1.00 0.00 C ATOM 44 O GLN A 4 -6.762 2.201 -2.761 1.00 0.00 O ATOM 45 CB GLN A 4 -4.087 3.832 -2.622 1.00 0.00 C ATOM 46 CG GLN A 4 -2.902 4.493 -1.936 1.00 0.00 C ATOM 47 CD GLN A 4 -1.576 4.107 -2.562 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.181 4.652 -3.593 1.00 0.00 O ATOM 49 NE2 GLN A 4 -0.881 3.161 -1.941 1.00 0.00 N ATOM 0 H GLN A 4 -4.386 1.379 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.065 2.446 -0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.834 3.645 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.930 4.523 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.019 5.576 -1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.896 4.216 -0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.246 2.736 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.018 2.859 -2.316 1.00 0.00 H new ATOM 58 N VAL A 5 -6.503 2.780 -0.602 1.00 0.00 N ATOM 59 CA VAL A 5 -7.933 2.786 -0.319 1.00 0.00 C ATOM 60 C VAL A 5 -8.397 4.167 0.133 1.00 0.00 C ATOM 61 O VAL A 5 -7.918 4.698 1.134 1.00 0.00 O ATOM 62 CB VAL A 5 -8.295 1.755 0.766 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.464 1.984 2.020 1.00 0.00 C ATOM 64 CG2 VAL A 5 -9.781 1.815 1.083 1.00 0.00 C ATOM 0 H VAL A 5 -5.914 3.017 0.196 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.441 2.520 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.068 0.759 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.734 1.246 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.406 1.885 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.656 2.985 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.019 1.080 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.036 2.812 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.354 1.597 0.182 1.00 0.00 H new ATOM 74 N VAL A 6 -9.335 4.743 -0.613 1.00 0.00 N ATOM 75 CA VAL A 6 -9.866 6.061 -0.290 1.00 0.00 C ATOM 76 C VAL A 6 -11.346 5.985 0.067 1.00 0.00 C ATOM 77 O VAL A 6 -12.189 5.708 -0.787 1.00 0.00 O ATOM 78 CB VAL A 6 -9.682 7.044 -1.461 1.00 0.00 C ATOM 79 CG1 VAL A 6 -9.973 8.468 -1.015 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.277 6.932 -2.034 1.00 0.00 C ATOM 0 H VAL A 6 -9.742 4.317 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.305 6.425 0.571 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.392 6.784 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.838 9.148 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.000 8.534 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.290 8.744 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.164 7.634 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.548 7.165 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.111 5.917 -2.395 1.00 0.00 H new ATOM 90 N THR A 7 -11.657 6.233 1.336 1.00 0.00 N ATOM 91 CA THR A 7 -13.036 6.192 1.807 1.00 0.00 C ATOM 92 C THR A 7 -13.922 7.131 0.997 1.00 0.00 C ATOM 93 O THR A 7 -13.516 8.242 0.653 1.00 0.00 O ATOM 94 CB THR A 7 -13.132 6.571 3.297 1.00 0.00 C ATOM 95 OG1 THR A 7 -12.013 6.036 4.012 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.425 6.051 3.905 1.00 0.00 C ATOM 0 H THR A 7 -10.972 6.464 2.056 1.00 0.00 H new ATOM 0 HA THR A 7 -13.384 5.167 1.677 1.00 0.00 H new ATOM 0 HB THR A 7 -13.125 7.658 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.081 6.283 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.470 6.331 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.275 6.484 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.458 4.965 3.816 1.00 0.00 H new ATOM 104 N LEU A 8 -15.134 6.679 0.695 1.00 0.00 N ATOM 105 CA LEU A 8 -16.080 7.480 -0.075 1.00 0.00 C ATOM 106 C LEU A 8 -17.401 7.630 0.672 1.00 0.00 C ATOM 107 O LEU A 8 -18.009 8.700 0.668 1.00 0.00 O ATOM 108 CB LEU A 8 -16.324 6.841 -1.443 1.00 0.00 C ATOM 109 CG LEU A 8 -15.075 6.440 -2.229 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.387 5.291 -3.176 1.00 0.00 C ATOM 111 CD2 LEU A 8 -14.523 7.632 -2.997 1.00 0.00 C ATOM 0 H LEU A 8 -15.485 5.762 0.971 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.649 8.471 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.941 5.953 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.902 7.538 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.316 6.105 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.487 5.019 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.735 4.432 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.163 5.598 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.634 7.328 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.278 7.997 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.261 8.426 -2.298 1.00 0.00 H new ATOM 123 N ALA A 9 -17.838 6.552 1.315 1.00 0.00 N ATOM 124 CA ALA A 9 -19.084 6.565 2.070 1.00 0.00 C ATOM 125 C ALA A 9 -18.953 5.764 3.361 1.00 0.00 C ATOM 126 O ALA A 9 -19.037 4.537 3.351 1.00 0.00 O ATOM 127 CB ALA A 9 -20.222 6.018 1.220 1.00 0.00 C ATOM 0 H ALA A 9 -17.347 5.658 1.328 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.308 7.598 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.147 6.034 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.340 6.635 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.996 4.993 0.925 1.00 0.00 H new ATOM 133 N ALA A 10 -18.745 6.467 4.469 1.00 0.00 N ATOM 134 CA ALA A 10 -18.604 5.821 5.768 1.00 0.00 C ATOM 135 C ALA A 10 -19.757 4.859 6.031 1.00 0.00 C ATOM 136 O ALA A 10 -20.910 5.159 5.727 1.00 0.00 O ATOM 137 CB ALA A 10 -18.523 6.865 6.871 1.00 0.00 C ATOM 0 H ALA A 10 -18.670 7.484 4.493 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.679 5.244 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.418 6.368 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.661 7.510 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.432 7.467 6.870 1.00 0.00 H new ATOM 143 N GLY A 11 -19.437 3.699 6.598 1.00 0.00 N ATOM 144 CA GLY A 11 -20.458 2.710 6.892 1.00 0.00 C ATOM 145 C GLY A 11 -20.676 2.527 8.381 1.00 0.00 C ATOM 146 O GLY A 11 -20.898 3.497 9.106 1.00 0.00 O ATOM 0 H GLY A 11 -18.489 3.427 6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.396 3.011 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.173 1.755 6.450 1.00 0.00 H new ATOM 150 N ASP A 12 -20.616 1.281 8.837 1.00 0.00 N ATOM 151 CA ASP A 12 -20.810 0.974 10.249 1.00 0.00 C ATOM 152 C ASP A 12 -19.533 1.234 11.042 1.00 0.00 C ATOM 153 O ASP A 12 -19.584 1.602 12.215 1.00 0.00 O ATOM 154 CB ASP A 12 -21.244 -0.483 10.421 1.00 0.00 C ATOM 155 CG ASP A 12 -20.065 -1.432 10.508 1.00 0.00 C ATOM 156 OD1 ASP A 12 -19.239 -1.439 9.572 1.00 0.00 O ATOM 157 OD2 ASP A 12 -19.969 -2.168 11.513 1.00 0.00 O ATOM 0 H ASP A 12 -20.435 0.467 8.249 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.594 1.627 10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.848 -0.575 11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.878 -0.772 9.583 1.00 0.00 H new ATOM 162 N GLU A 13 -18.389 1.038 10.393 1.00 0.00 N ATOM 163 CA GLU A 13 -17.099 1.250 11.040 1.00 0.00 C ATOM 164 C GLU A 13 -17.028 0.505 12.370 1.00 0.00 C ATOM 165 O GLU A 13 -16.819 1.109 13.421 1.00 0.00 O ATOM 166 CB GLU A 13 -16.855 2.743 11.265 1.00 0.00 C ATOM 167 CG GLU A 13 -16.808 3.553 9.980 1.00 0.00 C ATOM 168 CD GLU A 13 -16.410 4.997 10.216 1.00 0.00 C ATOM 169 OE1 GLU A 13 -17.277 5.788 10.643 1.00 0.00 O ATOM 170 OE2 GLU A 13 -15.234 5.337 9.972 1.00 0.00 O ATOM 0 H GLU A 13 -18.329 0.733 9.421 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.323 0.858 10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.643 3.139 11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.914 2.872 11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.100 3.093 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.786 3.523 9.500 1.00 0.00 H new ATOM 177 N ALA A 14 -17.205 -0.811 12.315 1.00 0.00 N ATOM 178 CA ALA A 14 -17.160 -1.639 13.513 1.00 0.00 C ATOM 179 C ALA A 14 -16.991 -3.112 13.157 1.00 0.00 C ATOM 180 O ALA A 14 -16.259 -3.844 13.825 1.00 0.00 O ATOM 181 CB ALA A 14 -18.418 -1.435 14.343 1.00 0.00 C ATOM 0 H ALA A 14 -17.381 -1.327 11.453 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.296 -1.334 14.103 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.371 -2.060 15.235 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.494 -0.388 14.637 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.292 -1.711 13.753 1.00 0.00 H new ATOM 187 N THR A 15 -17.674 -3.543 12.101 1.00 0.00 N ATOM 188 CA THR A 15 -17.601 -4.929 11.657 1.00 0.00 C ATOM 189 C THR A 15 -16.663 -5.076 10.465 1.00 0.00 C ATOM 190 O THR A 15 -16.904 -4.508 9.399 1.00 0.00 O ATOM 191 CB THR A 15 -18.991 -5.469 11.272 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.922 -5.228 12.333 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.929 -6.959 10.974 1.00 0.00 C ATOM 0 H THR A 15 -18.284 -2.951 11.537 1.00 0.00 H new ATOM 0 HA THR A 15 -17.213 -5.509 12.494 1.00 0.00 H new ATOM 0 HB THR A 15 -19.322 -4.948 10.374 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.147 -4.274 12.361 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.922 -7.318 10.705 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.242 -7.136 10.146 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.578 -7.492 11.857 1.00 0.00 H new ATOM 201 N TYR A 16 -15.594 -5.842 10.651 1.00 0.00 N ATOM 202 CA TYR A 16 -14.618 -6.063 9.590 1.00 0.00 C ATOM 203 C TYR A 16 -14.441 -7.553 9.314 1.00 0.00 C ATOM 204 O TYR A 16 -14.661 -8.401 10.179 1.00 0.00 O ATOM 205 CB TYR A 16 -13.273 -5.440 9.968 1.00 0.00 C ATOM 206 CG TYR A 16 -13.339 -3.947 10.195 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.885 -3.425 11.361 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.858 -3.057 9.242 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.949 -2.061 11.573 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.916 -1.692 9.446 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.462 -1.199 10.612 1.00 0.00 C ATOM 212 OH TYR A 16 -13.523 0.160 10.818 1.00 0.00 O ATOM 0 H TYR A 16 -15.381 -6.320 11.526 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.990 -5.586 8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.901 -5.920 10.873 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.551 -5.647 9.178 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.266 -4.097 12.115 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.432 -3.439 8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.377 -1.672 12.485 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.536 -1.014 8.696 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.137 0.625 10.047 1.00 0.00 H new ATOM 222 N PRO A 17 -14.034 -7.880 8.078 1.00 0.00 N ATOM 223 CA PRO A 17 -13.817 -9.268 7.658 1.00 0.00 C ATOM 224 C PRO A 17 -12.601 -9.894 8.331 1.00 0.00 C ATOM 225 O PRO A 17 -11.549 -9.264 8.446 1.00 0.00 O ATOM 226 CB PRO A 17 -13.592 -9.150 6.148 1.00 0.00 C ATOM 227 CG PRO A 17 -13.082 -7.764 5.949 1.00 0.00 C ATOM 228 CD PRO A 17 -13.753 -6.921 6.997 1.00 0.00 C ATOM 0 HA PRO A 17 -14.654 -9.912 7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.874 -9.891 5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.517 -9.315 5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.998 -7.728 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.317 -7.402 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.107 -6.112 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.667 -6.462 6.619 1.00 0.00 H new ATOM 236 N LYS A 18 -12.750 -11.138 8.774 1.00 0.00 N ATOM 237 CA LYS A 18 -11.664 -11.851 9.434 1.00 0.00 C ATOM 238 C LYS A 18 -10.817 -12.613 8.419 1.00 0.00 C ATOM 239 O LYS A 18 -11.338 -13.157 7.446 1.00 0.00 O ATOM 240 CB LYS A 18 -12.223 -12.821 10.478 1.00 0.00 C ATOM 241 CG LYS A 18 -11.244 -13.145 11.593 1.00 0.00 C ATOM 242 CD LYS A 18 -11.918 -13.902 12.724 1.00 0.00 C ATOM 243 CE LYS A 18 -10.961 -14.142 13.882 1.00 0.00 C ATOM 244 NZ LYS A 18 -10.526 -12.866 14.515 1.00 0.00 N ATOM 0 H LYS A 18 -13.614 -11.673 8.687 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.030 -11.117 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.127 -12.393 10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.515 -13.747 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.422 -13.740 11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.812 -12.222 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.782 -13.339 13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.289 -14.857 12.353 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.445 -14.771 14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.087 -14.686 13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.106 -13.066 15.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.821 -12.401 13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.348 -12.240 14.634 1.00 0.00 H new ATOM 258 N ALA A 19 -9.509 -12.648 8.654 1.00 0.00 N ATOM 259 CA ALA A 19 -8.592 -13.346 7.762 1.00 0.00 C ATOM 260 C ALA A 19 -8.976 -14.815 7.619 1.00 0.00 C ATOM 261 O ALA A 19 -8.922 -15.578 8.583 1.00 0.00 O ATOM 262 CB ALA A 19 -7.163 -13.219 8.270 1.00 0.00 C ATOM 0 H ALA A 19 -9.061 -12.201 9.454 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.659 -12.883 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.489 -13.745 7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.885 -12.166 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.091 -13.655 9.266 1.00 0.00 H new ATOM 268 N GLY A 20 -9.365 -15.206 6.409 1.00 0.00 N ATOM 269 CA GLY A 20 -9.753 -16.582 6.163 1.00 0.00 C ATOM 270 C GLY A 20 -11.256 -16.753 6.072 1.00 0.00 C ATOM 271 O GLY A 20 -11.743 -17.769 5.577 1.00 0.00 O ATOM 0 H GLY A 20 -9.418 -14.594 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.295 -16.925 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.366 -17.214 6.963 1.00 0.00 H new ATOM 275 N GLN A 21 -11.994 -15.757 6.552 1.00 0.00 N ATOM 276 CA GLN A 21 -13.451 -15.803 6.524 1.00 0.00 C ATOM 277 C GLN A 21 -13.985 -15.318 5.181 1.00 0.00 C ATOM 278 O GLN A 21 -13.241 -14.775 4.364 1.00 0.00 O ATOM 279 CB GLN A 21 -14.031 -14.952 7.655 1.00 0.00 C ATOM 280 CG GLN A 21 -14.098 -15.677 8.989 1.00 0.00 C ATOM 281 CD GLN A 21 -15.185 -15.134 9.895 1.00 0.00 C ATOM 282 OE1 GLN A 21 -15.938 -15.893 10.505 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.274 -13.812 9.988 1.00 0.00 N ATOM 0 H GLN A 21 -11.607 -14.909 6.965 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.760 -16.839 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.425 -14.053 7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.034 -14.627 7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.274 -16.738 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.135 -15.593 9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.629 -13.219 9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.987 -13.389 10.583 1.00 0.00 H new ATOM 292 N VAL A 22 -15.281 -15.517 4.958 1.00 0.00 N ATOM 293 CA VAL A 22 -15.916 -15.099 3.714 1.00 0.00 C ATOM 294 C VAL A 22 -16.676 -13.791 3.897 1.00 0.00 C ATOM 295 O VAL A 22 -17.454 -13.640 4.839 1.00 0.00 O ATOM 296 CB VAL A 22 -16.885 -16.175 3.189 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.884 -16.565 4.268 1.00 0.00 C ATOM 298 CG2 VAL A 22 -17.601 -15.683 1.941 1.00 0.00 C ATOM 0 H VAL A 22 -15.911 -15.965 5.623 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.119 -14.953 2.985 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.308 -17.061 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.561 -17.326 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.350 -16.961 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -18.458 -15.688 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -18.282 -16.456 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.167 -14.782 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.868 -15.458 1.166 1.00 0.00 H new ATOM 308 N ALA A 23 -16.446 -12.847 2.991 1.00 0.00 N ATOM 309 CA ALA A 23 -17.112 -11.551 3.051 1.00 0.00 C ATOM 310 C ALA A 23 -17.799 -11.225 1.730 1.00 0.00 C ATOM 311 O ALA A 23 -17.345 -11.640 0.663 1.00 0.00 O ATOM 312 CB ALA A 23 -16.114 -10.461 3.412 1.00 0.00 C ATOM 0 H ALA A 23 -15.803 -12.955 2.206 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.877 -11.599 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.625 -9.499 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.673 -10.679 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.328 -10.423 2.657 1.00 0.00 H new ATOM 318 N VAL A 24 -18.898 -10.480 1.807 1.00 0.00 N ATOM 319 CA VAL A 24 -19.648 -10.098 0.617 1.00 0.00 C ATOM 320 C VAL A 24 -19.620 -8.588 0.411 1.00 0.00 C ATOM 321 O VAL A 24 -20.005 -7.823 1.295 1.00 0.00 O ATOM 322 CB VAL A 24 -21.112 -10.567 0.701 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.797 -10.428 -0.650 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.184 -12.003 1.199 1.00 0.00 C ATOM 0 H VAL A 24 -19.288 -10.129 2.682 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.167 -10.586 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.637 -9.932 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.831 -10.764 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.778 -9.384 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.273 -11.036 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.226 -12.318 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.643 -12.654 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.735 -12.067 2.190 1.00 0.00 H new ATOM 334 N VAL A 25 -19.163 -8.164 -0.763 1.00 0.00 N ATOM 335 CA VAL A 25 -19.087 -6.745 -1.087 1.00 0.00 C ATOM 336 C VAL A 25 -19.393 -6.500 -2.560 1.00 0.00 C ATOM 337 O VAL A 25 -19.464 -7.437 -3.355 1.00 0.00 O ATOM 338 CB VAL A 25 -17.696 -6.169 -0.760 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.194 -6.708 0.570 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.714 -6.483 -1.878 1.00 0.00 C ATOM 0 H VAL A 25 -18.840 -8.784 -1.506 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.835 -6.240 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.781 -5.086 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.210 -6.290 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.888 -6.426 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.123 -7.795 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.737 -6.069 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.631 -7.563 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.070 -6.042 -2.809 1.00 0.00 H new ATOM 350 N HIS A 26 -19.573 -5.232 -2.919 1.00 0.00 N ATOM 351 CA HIS A 26 -19.871 -4.863 -4.298 1.00 0.00 C ATOM 352 C HIS A 26 -18.683 -4.150 -4.938 1.00 0.00 C ATOM 353 O HIS A 26 -18.239 -3.108 -4.456 1.00 0.00 O ATOM 354 CB HIS A 26 -21.108 -3.967 -4.353 1.00 0.00 C ATOM 355 CG HIS A 26 -22.364 -4.700 -4.710 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.569 -5.286 -5.941 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.483 -4.943 -3.988 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.761 -5.856 -5.962 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.336 -5.662 -4.788 1.00 0.00 N ATOM 0 H HIS A 26 -19.518 -4.444 -2.274 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.069 -5.777 -4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.241 -3.486 -3.384 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.940 -3.174 -5.082 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.670 -4.629 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.192 -6.389 -6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -25.263 -5.993 -4.520 1.00 0.00 H new ATOM 367 N TYR A 27 -18.173 -4.720 -6.024 1.00 0.00 N ATOM 368 CA TYR A 27 -17.035 -4.141 -6.728 1.00 0.00 C ATOM 369 C TYR A 27 -17.491 -3.388 -7.975 1.00 0.00 C ATOM 370 O TYR A 27 -18.414 -3.814 -8.669 1.00 0.00 O ATOM 371 CB TYR A 27 -16.038 -5.234 -7.115 1.00 0.00 C ATOM 372 CG TYR A 27 -16.560 -6.186 -8.167 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.528 -5.849 -9.514 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.086 -7.423 -7.813 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.005 -6.716 -10.478 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.564 -8.296 -8.770 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.522 -7.938 -10.102 1.00 0.00 C ATOM 378 OH TYR A 27 -17.997 -8.805 -11.059 1.00 0.00 O ATOM 0 H TYR A 27 -18.530 -5.582 -6.436 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.547 -3.434 -6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.124 -4.767 -7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.771 -5.802 -6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.123 -4.893 -9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.121 -7.706 -6.771 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.973 -6.438 -11.521 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.969 -9.254 -8.478 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.325 -9.621 -10.627 1.00 0.00 H new ATOM 388 N THR A 28 -16.835 -2.266 -8.254 1.00 0.00 N ATOM 389 CA THR A 28 -17.171 -1.453 -9.415 1.00 0.00 C ATOM 390 C THR A 28 -15.915 -0.984 -10.141 1.00 0.00 C ATOM 391 O THR A 28 -15.013 -0.410 -9.532 1.00 0.00 O ATOM 392 CB THR A 28 -18.009 -0.223 -9.017 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.214 -0.641 -8.366 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.352 0.617 -10.238 1.00 0.00 C ATOM 0 H THR A 28 -16.067 -1.900 -7.691 1.00 0.00 H new ATOM 0 HA THR A 28 -17.759 -2.084 -10.082 1.00 0.00 H new ATOM 0 HB THR A 28 -17.418 0.385 -8.332 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.740 0.147 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.944 1.480 -9.932 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.433 0.958 -10.715 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.925 0.016 -10.944 1.00 0.00 H new ATOM 402 N GLY A 29 -15.864 -1.232 -11.446 1.00 0.00 N ATOM 403 CA GLY A 29 -14.713 -0.828 -12.233 1.00 0.00 C ATOM 404 C GLY A 29 -14.567 0.678 -12.314 1.00 0.00 C ATOM 405 O GLY A 29 -15.560 1.405 -12.363 1.00 0.00 O ATOM 0 H GLY A 29 -16.599 -1.705 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.810 -1.255 -11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.804 -1.236 -13.240 1.00 0.00 H new ATOM 409 N THR A 30 -13.324 1.151 -12.327 1.00 0.00 N ATOM 410 CA THR A 30 -13.050 2.580 -12.400 1.00 0.00 C ATOM 411 C THR A 30 -11.576 2.844 -12.681 1.00 0.00 C ATOM 412 O THR A 30 -10.701 2.134 -12.183 1.00 0.00 O ATOM 413 CB THR A 30 -13.449 3.296 -11.095 1.00 0.00 C ATOM 414 OG1 THR A 30 -13.996 2.353 -10.167 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.466 4.394 -11.369 1.00 0.00 C ATOM 0 H THR A 30 -12.491 0.564 -12.288 1.00 0.00 H new ATOM 0 HA THR A 30 -13.649 2.975 -13.220 1.00 0.00 H new ATOM 0 HB THR A 30 -12.555 3.750 -10.667 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.272 1.818 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.732 4.885 -10.433 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.036 5.126 -12.053 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.359 3.959 -11.817 1.00 0.00 H new ATOM 423 N LEU A 31 -11.305 3.870 -13.481 1.00 0.00 N ATOM 424 CA LEU A 31 -9.934 4.229 -13.828 1.00 0.00 C ATOM 425 C LEU A 31 -9.438 5.384 -12.964 1.00 0.00 C ATOM 426 O LEU A 31 -10.232 6.109 -12.365 1.00 0.00 O ATOM 427 CB LEU A 31 -9.844 4.608 -15.307 1.00 0.00 C ATOM 428 CG LEU A 31 -9.801 3.444 -16.297 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.735 3.960 -17.726 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.617 2.535 -16.001 1.00 0.00 C ATOM 0 H LEU A 31 -12.017 4.468 -13.901 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.300 3.362 -13.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.700 5.236 -15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.951 5.215 -15.452 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.716 2.863 -16.184 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.705 3.117 -18.416 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.615 4.568 -17.934 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.837 4.565 -17.853 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.602 1.712 -16.716 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.691 3.104 -16.084 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.708 2.136 -14.991 1.00 0.00 H new ATOM 442 N ALA A 32 -8.121 5.549 -12.905 1.00 0.00 N ATOM 443 CA ALA A 32 -7.520 6.619 -12.118 1.00 0.00 C ATOM 444 C ALA A 32 -8.013 7.985 -12.581 1.00 0.00 C ATOM 445 O ALA A 32 -7.959 8.961 -11.833 1.00 0.00 O ATOM 446 CB ALA A 32 -6.002 6.547 -12.203 1.00 0.00 C ATOM 0 H ALA A 32 -7.450 4.956 -13.393 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.822 6.486 -11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.566 7.352 -11.611 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.661 5.586 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.690 6.651 -13.242 1.00 0.00 H new ATOM 452 N ASP A 33 -8.493 8.048 -13.818 1.00 0.00 N ATOM 453 CA ASP A 33 -8.997 9.295 -14.380 1.00 0.00 C ATOM 454 C ASP A 33 -10.444 9.536 -13.960 1.00 0.00 C ATOM 455 O ASP A 33 -10.961 10.645 -14.085 1.00 0.00 O ATOM 456 CB ASP A 33 -8.894 9.270 -15.906 1.00 0.00 C ATOM 457 CG ASP A 33 -10.023 8.490 -16.550 1.00 0.00 C ATOM 458 OD1 ASP A 33 -11.096 9.083 -16.784 1.00 0.00 O ATOM 459 OD2 ASP A 33 -9.833 7.285 -16.820 1.00 0.00 O ATOM 0 H ASP A 33 -8.544 7.250 -14.451 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.385 10.111 -13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.901 10.292 -16.284 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.940 8.829 -16.196 1.00 0.00 H new ATOM 464 N GLY A 34 -11.092 8.487 -13.462 1.00 0.00 N ATOM 465 CA GLY A 34 -12.473 8.605 -13.032 1.00 0.00 C ATOM 466 C GLY A 34 -13.428 7.847 -13.934 1.00 0.00 C ATOM 467 O GLY A 34 -14.575 7.594 -13.564 1.00 0.00 O ATOM 0 H GLY A 34 -10.685 7.558 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.566 8.230 -12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.755 9.658 -13.012 1.00 0.00 H new ATOM 471 N LYS A 35 -12.955 7.483 -15.121 1.00 0.00 N ATOM 472 CA LYS A 35 -13.774 6.750 -16.079 1.00 0.00 C ATOM 473 C LYS A 35 -14.400 5.520 -15.431 1.00 0.00 C ATOM 474 O LYS A 35 -13.696 4.622 -14.970 1.00 0.00 O ATOM 475 CB LYS A 35 -12.930 6.330 -17.285 1.00 0.00 C ATOM 476 CG LYS A 35 -13.757 5.927 -18.494 1.00 0.00 C ATOM 477 CD LYS A 35 -14.195 7.139 -19.299 1.00 0.00 C ATOM 478 CE LYS A 35 -13.041 7.724 -20.098 1.00 0.00 C ATOM 479 NZ LYS A 35 -12.797 6.967 -21.357 1.00 0.00 N ATOM 0 H LYS A 35 -12.008 7.684 -15.443 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.575 7.409 -16.414 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.273 7.154 -17.563 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.291 5.495 -16.998 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.174 5.259 -19.128 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.635 5.370 -18.166 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.001 6.856 -19.976 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.595 7.898 -18.627 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.256 8.766 -20.337 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.137 7.716 -19.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.003 7.397 -21.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.567 5.979 -21.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.651 6.995 -21.950 1.00 0.00 H new ATOM 493 N VAL A 36 -15.729 5.486 -15.399 1.00 0.00 N ATOM 494 CA VAL A 36 -16.451 4.365 -14.809 1.00 0.00 C ATOM 495 C VAL A 36 -16.397 3.139 -15.714 1.00 0.00 C ATOM 496 O VAL A 36 -16.390 3.259 -16.939 1.00 0.00 O ATOM 497 CB VAL A 36 -17.923 4.725 -14.538 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.695 4.835 -15.844 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.562 3.697 -13.616 1.00 0.00 C ATOM 0 H VAL A 36 -16.327 6.222 -15.775 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.961 4.136 -13.863 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.956 5.695 -14.041 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.733 5.090 -15.632 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.250 5.612 -16.465 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.656 3.882 -16.371 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.602 3.967 -13.435 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.519 2.713 -14.083 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.023 3.673 -12.669 1.00 0.00 H new ATOM 509 N PHE A 37 -16.361 1.960 -15.103 1.00 0.00 N ATOM 510 CA PHE A 37 -16.307 0.711 -15.854 1.00 0.00 C ATOM 511 C PHE A 37 -17.373 -0.265 -15.363 1.00 0.00 C ATOM 512 O PHE A 37 -18.191 0.072 -14.507 1.00 0.00 O ATOM 513 CB PHE A 37 -14.922 0.074 -15.729 1.00 0.00 C ATOM 514 CG PHE A 37 -13.969 0.494 -16.812 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.468 1.784 -16.850 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.577 -0.403 -17.792 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.591 2.173 -17.846 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.700 -0.020 -18.790 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.208 1.270 -18.817 1.00 0.00 C ATOM 0 H PHE A 37 -16.368 1.843 -14.090 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.501 0.939 -16.902 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.497 0.336 -14.760 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.027 -1.011 -15.749 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.765 2.495 -16.093 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.961 -1.412 -17.776 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.206 3.182 -17.864 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.400 -0.729 -19.548 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.524 1.572 -19.597 1.00 0.00 H new ATOM 529 N ASP A 38 -17.358 -1.474 -15.912 1.00 0.00 N ATOM 530 CA ASP A 38 -18.322 -2.499 -15.531 1.00 0.00 C ATOM 531 C ASP A 38 -18.276 -2.757 -14.028 1.00 0.00 C ATOM 532 O ASP A 38 -17.201 -2.889 -13.444 1.00 0.00 O ATOM 533 CB ASP A 38 -18.046 -3.797 -16.292 1.00 0.00 C ATOM 534 CG ASP A 38 -19.306 -4.605 -16.534 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.187 -4.123 -17.277 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.411 -5.720 -15.982 1.00 0.00 O ATOM 0 H ASP A 38 -16.688 -1.769 -16.623 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.318 -2.140 -15.790 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.579 -3.562 -17.249 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.333 -4.400 -15.729 1.00 0.00 H new ATOM 541 N SER A 39 -19.450 -2.826 -13.408 1.00 0.00 N ATOM 542 CA SER A 39 -19.543 -3.063 -11.972 1.00 0.00 C ATOM 543 C SER A 39 -20.402 -4.289 -11.679 1.00 0.00 C ATOM 544 O SER A 39 -21.163 -4.746 -12.532 1.00 0.00 O ATOM 545 CB SER A 39 -20.127 -1.836 -11.269 1.00 0.00 C ATOM 546 OG SER A 39 -21.544 -1.852 -11.308 1.00 0.00 O ATOM 0 H SER A 39 -20.349 -2.721 -13.877 1.00 0.00 H new ATOM 0 HA SER A 39 -18.538 -3.246 -11.592 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.789 -1.811 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.757 -0.929 -11.747 1.00 0.00 H new ATOM 0 HG SER A 39 -21.893 -1.058 -10.851 1.00 0.00 H new ATOM 552 N SER A 40 -20.274 -4.816 -10.466 1.00 0.00 N ATOM 553 CA SER A 40 -21.036 -5.992 -10.059 1.00 0.00 C ATOM 554 C SER A 40 -22.469 -5.613 -9.698 1.00 0.00 C ATOM 555 O SER A 40 -23.383 -6.430 -9.801 1.00 0.00 O ATOM 556 CB SER A 40 -20.361 -6.676 -8.868 1.00 0.00 C ATOM 557 OG SER A 40 -20.447 -8.086 -8.974 1.00 0.00 O ATOM 0 H SER A 40 -19.650 -4.448 -9.748 1.00 0.00 H new ATOM 0 HA SER A 40 -21.063 -6.686 -10.899 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.315 -6.375 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.832 -6.348 -7.941 1.00 0.00 H new ATOM 0 HG SER A 40 -19.587 -8.444 -9.278 1.00 0.00 H new ATOM 668 N PHE A 47 -20.449 -9.547 -4.879 1.00 0.00 N ATOM 669 CA PHE A 47 -19.426 -10.578 -5.001 1.00 0.00 C ATOM 670 C PHE A 47 -18.893 -10.981 -3.629 1.00 0.00 C ATOM 671 O PHE A 47 -18.404 -10.143 -2.871 1.00 0.00 O ATOM 672 CB PHE A 47 -18.277 -10.085 -5.882 1.00 0.00 C ATOM 673 CG PHE A 47 -17.563 -11.188 -6.610 1.00 0.00 C ATOM 674 CD1 PHE A 47 -18.139 -11.792 -7.717 1.00 0.00 C ATOM 675 CD2 PHE A 47 -16.317 -11.622 -6.187 1.00 0.00 C ATOM 676 CE1 PHE A 47 -17.485 -12.807 -8.389 1.00 0.00 C ATOM 677 CE2 PHE A 47 -15.658 -12.636 -6.856 1.00 0.00 C ATOM 678 CZ PHE A 47 -16.243 -13.231 -7.957 1.00 0.00 C ATOM 0 HA PHE A 47 -19.881 -11.453 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.667 -9.374 -6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.560 -9.546 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -19.110 -11.465 -8.058 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.856 -11.163 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.944 -13.268 -9.251 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.686 -12.963 -6.518 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.731 -14.026 -8.479 1.00 0.00 H new ATOM 688 N ARG A 48 -18.991 -12.269 -3.317 1.00 0.00 N ATOM 689 CA ARG A 48 -18.521 -12.783 -2.037 1.00 0.00 C ATOM 690 C ARG A 48 -17.347 -13.738 -2.232 1.00 0.00 C ATOM 691 O ARG A 48 -17.270 -14.447 -3.236 1.00 0.00 O ATOM 692 CB ARG A 48 -19.657 -13.498 -1.302 1.00 0.00 C ATOM 693 CG ARG A 48 -20.174 -14.728 -2.030 1.00 0.00 C ATOM 694 CD ARG A 48 -20.602 -15.813 -1.055 1.00 0.00 C ATOM 695 NE ARG A 48 -20.601 -17.136 -1.673 1.00 0.00 N ATOM 696 CZ ARG A 48 -21.121 -18.216 -1.100 1.00 0.00 C ATOM 697 NH1 ARG A 48 -21.680 -18.130 0.099 1.00 0.00 N ATOM 698 NH2 ARG A 48 -21.081 -19.385 -1.726 1.00 0.00 N ATOM 0 H ARG A 48 -19.392 -12.976 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.184 -11.938 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.309 -13.792 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.481 -12.799 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.018 -14.451 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.397 -15.115 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.931 -15.814 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.600 -15.589 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.178 -17.237 -2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.712 -17.233 0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.079 -18.961 0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.651 -19.455 -2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.481 -20.214 -1.285 1.00 0.00 H new ATOM 712 N PHE A 49 -16.434 -13.752 -1.266 1.00 0.00 N ATOM 713 CA PHE A 49 -15.263 -14.618 -1.333 1.00 0.00 C ATOM 714 C PHE A 49 -14.532 -14.647 0.006 1.00 0.00 C ATOM 715 O PHE A 49 -14.880 -13.916 0.934 1.00 0.00 O ATOM 716 CB PHE A 49 -14.314 -14.145 -2.435 1.00 0.00 C ATOM 717 CG PHE A 49 -13.761 -12.768 -2.200 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.618 -12.587 -1.439 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.384 -11.655 -2.741 1.00 0.00 C ATOM 720 CE1 PHE A 49 -12.108 -11.322 -1.220 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.878 -10.387 -2.526 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.738 -10.220 -1.766 1.00 0.00 C ATOM 0 H PHE A 49 -16.483 -13.173 -0.428 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.602 -15.628 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.487 -14.850 -2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.842 -14.158 -3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.120 -13.445 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.275 -11.780 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.217 -11.194 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.374 -9.528 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.339 -9.230 -1.598 1.00 0.00 H new ATOM 732 N THR A 50 -13.514 -15.498 0.100 1.00 0.00 N ATOM 733 CA THR A 50 -12.734 -15.624 1.324 1.00 0.00 C ATOM 734 C THR A 50 -11.589 -14.619 1.352 1.00 0.00 C ATOM 735 O THR A 50 -10.637 -14.725 0.579 1.00 0.00 O ATOM 736 CB THR A 50 -12.159 -17.045 1.479 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.221 -18.004 1.497 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.342 -17.161 2.757 1.00 0.00 C ATOM 0 H THR A 50 -13.211 -16.110 -0.658 1.00 0.00 H new ATOM 0 HA THR A 50 -13.412 -15.421 2.153 1.00 0.00 H new ATOM 0 HB THR A 50 -11.506 -17.244 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.847 -18.905 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.946 -18.173 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.517 -16.450 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.977 -16.944 3.616 1.00 0.00 H new ATOM 746 N VAL A 51 -11.686 -13.643 2.249 1.00 0.00 N ATOM 747 CA VAL A 51 -10.657 -12.618 2.380 1.00 0.00 C ATOM 748 C VAL A 51 -9.337 -13.222 2.845 1.00 0.00 C ATOM 749 O VAL A 51 -9.139 -13.469 4.034 1.00 0.00 O ATOM 750 CB VAL A 51 -11.083 -11.518 3.370 1.00 0.00 C ATOM 751 CG1 VAL A 51 -10.121 -10.341 3.306 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.508 -11.069 3.087 1.00 0.00 C ATOM 0 H VAL A 51 -12.467 -13.540 2.896 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.523 -12.175 1.393 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.050 -11.929 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.438 -9.573 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.117 -10.678 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.119 -9.927 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.792 -10.291 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.571 -10.675 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.184 -11.918 3.189 1.00 0.00 H new ATOM 762 N GLY A 52 -8.434 -13.458 1.897 1.00 0.00 N ATOM 763 CA GLY A 52 -7.143 -14.031 2.229 1.00 0.00 C ATOM 764 C GLY A 52 -6.828 -15.266 1.409 1.00 0.00 C ATOM 765 O GLY A 52 -5.688 -15.728 1.383 1.00 0.00 O ATOM 0 H GLY A 52 -8.574 -13.262 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.365 -13.284 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.125 -14.288 3.288 1.00 0.00 H new ATOM 769 N ARG A 53 -7.842 -15.803 0.738 1.00 0.00 N ATOM 770 CA ARG A 53 -7.669 -16.994 -0.084 1.00 0.00 C ATOM 771 C ARG A 53 -7.039 -16.639 -1.428 1.00 0.00 C ATOM 772 O ARG A 53 -6.889 -15.466 -1.765 1.00 0.00 O ATOM 773 CB ARG A 53 -9.015 -17.686 -0.307 1.00 0.00 C ATOM 774 CG ARG A 53 -9.363 -18.700 0.770 1.00 0.00 C ATOM 775 CD ARG A 53 -8.545 -19.974 0.622 1.00 0.00 C ATOM 776 NE ARG A 53 -7.298 -19.915 1.379 1.00 0.00 N ATOM 777 CZ ARG A 53 -7.242 -19.940 2.706 1.00 0.00 C ATOM 778 NH1 ARG A 53 -8.357 -20.024 3.418 1.00 0.00 N ATOM 779 NH2 ARG A 53 -6.068 -19.883 3.323 1.00 0.00 N ATOM 0 H ARG A 53 -8.792 -15.432 0.748 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.001 -17.675 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.800 -16.931 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.001 -18.187 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.184 -18.264 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.425 -18.940 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.135 -20.825 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.322 -20.141 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.422 -19.851 0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.261 -20.070 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.311 -20.043 4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.208 -19.820 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.026 -19.902 4.342 1.00 0.00 H new ATOM 793 N GLY A 54 -6.671 -17.664 -2.192 1.00 0.00 N ATOM 794 CA GLY A 54 -6.061 -17.440 -3.490 1.00 0.00 C ATOM 795 C GLY A 54 -7.082 -17.391 -4.610 1.00 0.00 C ATOM 796 O GLY A 54 -6.735 -17.541 -5.781 1.00 0.00 O ATOM 0 H GLY A 54 -6.784 -18.645 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.504 -16.503 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.342 -18.234 -3.692 1.00 0.00 H new ATOM 800 N GLU A 55 -8.345 -17.182 -4.249 1.00 0.00 N ATOM 801 CA GLU A 55 -9.419 -17.117 -5.233 1.00 0.00 C ATOM 802 C GLU A 55 -9.567 -15.701 -5.783 1.00 0.00 C ATOM 803 O GLU A 55 -10.071 -15.502 -6.889 1.00 0.00 O ATOM 804 CB GLU A 55 -10.739 -17.576 -4.611 1.00 0.00 C ATOM 805 CG GLU A 55 -10.686 -18.982 -4.039 1.00 0.00 C ATOM 806 CD GLU A 55 -12.017 -19.430 -3.466 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.933 -19.729 -4.260 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.142 -19.480 -2.225 1.00 0.00 O ATOM 0 H GLU A 55 -8.649 -17.055 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.164 -17.783 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.019 -16.881 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.523 -17.530 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.379 -19.677 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.926 -19.024 -3.259 1.00 0.00 H new ATOM 815 N VAL A 56 -9.127 -14.720 -5.002 1.00 0.00 N ATOM 816 CA VAL A 56 -9.210 -13.323 -5.409 1.00 0.00 C ATOM 817 C VAL A 56 -7.822 -12.727 -5.616 1.00 0.00 C ATOM 818 O VAL A 56 -6.812 -13.417 -5.474 1.00 0.00 O ATOM 819 CB VAL A 56 -9.969 -12.478 -4.368 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.458 -12.786 -4.414 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.408 -12.721 -2.975 1.00 0.00 C ATOM 0 H VAL A 56 -8.709 -14.867 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.756 -13.301 -6.352 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.833 -11.424 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.978 -12.180 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.846 -12.557 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.618 -13.842 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.955 -12.116 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.512 -13.775 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.354 -12.445 -2.954 1.00 0.00 H new ATOM 831 N ILE A 57 -7.779 -11.442 -5.951 1.00 0.00 N ATOM 832 CA ILE A 57 -6.514 -10.753 -6.175 1.00 0.00 C ATOM 833 C ILE A 57 -6.039 -10.049 -4.909 1.00 0.00 C ATOM 834 O ILE A 57 -6.834 -9.749 -4.018 1.00 0.00 O ATOM 835 CB ILE A 57 -6.631 -9.719 -7.311 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.784 -8.753 -7.034 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.828 -10.419 -8.647 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.539 -7.353 -7.554 1.00 0.00 C ATOM 0 H ILE A 57 -8.606 -10.857 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.786 -11.513 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.705 -9.146 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.694 -9.146 -7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.958 -8.707 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.909 -9.675 -9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.976 -11.070 -8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.740 -11.015 -8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.398 -6.723 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.648 -6.940 -7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.395 -7.386 -8.634 1.00 0.00 H new ATOM 850 N ARG A 58 -4.739 -9.787 -4.837 1.00 0.00 N ATOM 851 CA ARG A 58 -4.157 -9.117 -3.679 1.00 0.00 C ATOM 852 C ARG A 58 -4.906 -7.826 -3.365 1.00 0.00 C ATOM 853 O ARG A 58 -5.224 -7.545 -2.210 1.00 0.00 O ATOM 854 CB ARG A 58 -2.679 -8.814 -3.928 1.00 0.00 C ATOM 855 CG ARG A 58 -1.835 -10.055 -4.171 1.00 0.00 C ATOM 856 CD ARG A 58 -1.613 -10.838 -2.887 1.00 0.00 C ATOM 857 NE ARG A 58 -0.454 -11.722 -2.978 1.00 0.00 N ATOM 858 CZ ARG A 58 -0.149 -12.631 -2.059 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.914 -12.775 -0.985 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.922 -13.399 -2.213 1.00 0.00 N ATOM 0 H ARG A 58 -4.068 -10.028 -5.566 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.244 -9.785 -2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.593 -8.152 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.278 -8.274 -3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.326 -10.692 -4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.873 -9.765 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.475 -10.144 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.502 -11.428 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 58 0.155 -11.637 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.739 -12.187 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.678 -13.474 -0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.512 -13.292 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.155 -14.097 -1.506 1.00 0.00 H new ATOM 874 N GLY A 59 -5.186 -7.042 -4.403 1.00 0.00 N ATOM 875 CA GLY A 59 -5.895 -5.789 -4.217 1.00 0.00 C ATOM 876 C GLY A 59 -7.149 -5.952 -3.380 1.00 0.00 C ATOM 877 O GLY A 59 -7.259 -5.377 -2.297 1.00 0.00 O ATOM 0 H GLY A 59 -4.934 -7.253 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.233 -5.068 -3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.162 -5.378 -5.191 1.00 0.00 H new ATOM 881 N TRP A 60 -8.096 -6.734 -3.884 1.00 0.00 N ATOM 882 CA TRP A 60 -9.350 -6.969 -3.176 1.00 0.00 C ATOM 883 C TRP A 60 -9.090 -7.506 -1.773 1.00 0.00 C ATOM 884 O TRP A 60 -9.733 -7.088 -0.810 1.00 0.00 O ATOM 885 CB TRP A 60 -10.225 -7.950 -3.958 1.00 0.00 C ATOM 886 CG TRP A 60 -11.028 -7.296 -5.042 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.936 -5.999 -5.461 1.00 0.00 C ATOM 888 CD2 TRP A 60 -12.045 -7.907 -5.842 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.835 -5.768 -6.474 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.527 -6.923 -6.727 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.594 -9.191 -5.900 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.532 -7.184 -7.655 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.591 -9.448 -6.821 1.00 0.00 C ATOM 894 CH2 TRP A 60 -14.051 -8.449 -7.689 1.00 0.00 C ATOM 0 H TRP A 60 -8.020 -7.216 -4.780 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.874 -6.017 -3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.591 -8.719 -4.399 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.902 -8.452 -3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.257 -5.264 -5.056 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.966 -4.880 -6.959 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -12.245 -9.968 -5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.889 -6.415 -8.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -14.023 -10.436 -6.873 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.831 -8.682 -8.399 1.00 0.00 H new ATOM 905 N ASP A 61 -8.146 -8.434 -1.665 1.00 0.00 N ATOM 906 CA ASP A 61 -7.801 -9.028 -0.379 1.00 0.00 C ATOM 907 C ASP A 61 -7.576 -7.949 0.675 1.00 0.00 C ATOM 908 O ASP A 61 -8.307 -7.871 1.662 1.00 0.00 O ATOM 909 CB ASP A 61 -6.549 -9.896 -0.513 1.00 0.00 C ATOM 910 CG ASP A 61 -6.488 -10.990 0.535 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.328 -10.975 1.458 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.599 -11.862 0.432 1.00 0.00 O ATOM 0 H ASP A 61 -7.606 -8.791 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.635 -9.654 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.527 -10.346 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.663 -9.266 -0.429 1.00 0.00 H new ATOM 917 N GLU A 62 -6.560 -7.119 0.458 1.00 0.00 N ATOM 918 CA GLU A 62 -6.239 -6.046 1.391 1.00 0.00 C ATOM 919 C GLU A 62 -7.360 -5.012 1.439 1.00 0.00 C ATOM 920 O GLU A 62 -7.770 -4.573 2.512 1.00 0.00 O ATOM 921 CB GLU A 62 -4.925 -5.371 0.993 1.00 0.00 C ATOM 922 CG GLU A 62 -3.689 -6.101 1.493 1.00 0.00 C ATOM 923 CD GLU A 62 -3.384 -5.803 2.948 1.00 0.00 C ATOM 924 OE1 GLU A 62 -3.517 -4.629 3.353 1.00 0.00 O ATOM 925 OE2 GLU A 62 -3.013 -6.742 3.682 1.00 0.00 O ATOM 0 H GLU A 62 -5.946 -7.169 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.129 -6.483 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.879 -5.298 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.917 -4.353 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.830 -7.175 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.832 -5.819 0.881 1.00 0.00 H new ATOM 932 N GLY A 63 -7.852 -4.627 0.265 1.00 0.00 N ATOM 933 CA GLY A 63 -8.921 -3.648 0.194 1.00 0.00 C ATOM 934 C GLY A 63 -10.087 -3.995 1.098 1.00 0.00 C ATOM 935 O GLY A 63 -10.413 -3.245 2.018 1.00 0.00 O ATOM 0 H GLY A 63 -7.529 -4.976 -0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.531 -2.668 0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.273 -3.573 -0.835 1.00 0.00 H new ATOM 939 N VAL A 64 -10.718 -5.135 0.835 1.00 0.00 N ATOM 940 CA VAL A 64 -11.855 -5.580 1.631 1.00 0.00 C ATOM 941 C VAL A 64 -11.439 -5.869 3.069 1.00 0.00 C ATOM 942 O VAL A 64 -12.215 -5.668 4.003 1.00 0.00 O ATOM 943 CB VAL A 64 -12.501 -6.843 1.031 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.575 -8.041 1.186 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.848 -7.114 1.683 1.00 0.00 C ATOM 0 H VAL A 64 -10.461 -5.767 0.077 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.584 -4.770 1.622 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.665 -6.675 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.048 -8.924 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.636 -7.844 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.377 -8.214 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.290 -8.010 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.711 -7.262 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.510 -6.265 1.516 1.00 0.00 H new ATOM 955 N ALA A 65 -10.209 -6.343 3.240 1.00 0.00 N ATOM 956 CA ALA A 65 -9.689 -6.657 4.565 1.00 0.00 C ATOM 957 C ALA A 65 -9.743 -5.438 5.479 1.00 0.00 C ATOM 958 O ALA A 65 -10.032 -5.558 6.670 1.00 0.00 O ATOM 959 CB ALA A 65 -8.263 -7.179 4.461 1.00 0.00 C ATOM 0 H ALA A 65 -9.554 -6.518 2.478 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.318 -7.433 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.886 -7.410 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.250 -8.082 3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.630 -6.420 4.001 1.00 0.00 H new ATOM 965 N GLN A 66 -9.463 -4.268 4.915 1.00 0.00 N ATOM 966 CA GLN A 66 -9.479 -3.028 5.682 1.00 0.00 C ATOM 967 C GLN A 66 -10.778 -2.263 5.454 1.00 0.00 C ATOM 968 O GLN A 66 -10.819 -1.039 5.575 1.00 0.00 O ATOM 969 CB GLN A 66 -8.284 -2.152 5.300 1.00 0.00 C ATOM 970 CG GLN A 66 -8.293 -1.712 3.845 1.00 0.00 C ATOM 971 CD GLN A 66 -6.935 -1.232 3.372 1.00 0.00 C ATOM 972 OE1 GLN A 66 -6.338 -0.335 3.968 1.00 0.00 O ATOM 973 NE2 GLN A 66 -6.439 -1.829 2.295 1.00 0.00 N ATOM 0 H GLN A 66 -9.223 -4.152 3.931 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.410 -3.284 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.273 -1.268 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.363 -2.701 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.618 -2.544 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.022 -0.912 3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.968 -2.568 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.529 -1.549 1.930 1.00 0.00 H new ATOM 982 N MET A 67 -11.838 -2.993 5.123 1.00 0.00 N ATOM 983 CA MET A 67 -13.140 -2.383 4.879 1.00 0.00 C ATOM 984 C MET A 67 -14.127 -2.748 5.983 1.00 0.00 C ATOM 985 O MET A 67 -13.970 -3.766 6.658 1.00 0.00 O ATOM 986 CB MET A 67 -13.689 -2.827 3.521 1.00 0.00 C ATOM 987 CG MET A 67 -13.051 -2.107 2.344 1.00 0.00 C ATOM 988 SD MET A 67 -14.036 -0.710 1.769 1.00 0.00 S ATOM 989 CE MET A 67 -15.490 -1.552 1.151 1.00 0.00 C ATOM 0 H MET A 67 -11.821 -4.007 5.018 1.00 0.00 H new ATOM 0 HA MET A 67 -13.011 -1.301 4.875 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.533 -3.900 3.408 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.766 -2.657 3.500 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.061 -1.754 2.632 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.913 -2.811 1.524 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.181 -0.823 0.728 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.198 -2.265 0.380 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.978 -2.082 1.969 1.00 0.00 H new ATOM 999 N SER A 68 -15.144 -1.911 6.162 1.00 0.00 N ATOM 1000 CA SER A 68 -16.155 -2.144 7.188 1.00 0.00 C ATOM 1001 C SER A 68 -17.531 -2.342 6.559 1.00 0.00 C ATOM 1002 O SER A 68 -17.838 -1.767 5.515 1.00 0.00 O ATOM 1003 CB SER A 68 -16.194 -0.972 8.171 1.00 0.00 C ATOM 1004 OG SER A 68 -16.161 0.268 7.487 1.00 0.00 O ATOM 0 H SER A 68 -15.290 -1.066 5.610 1.00 0.00 H new ATOM 0 HA SER A 68 -15.887 -3.052 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.097 -1.032 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.347 -1.037 8.853 1.00 0.00 H new ATOM 0 HG SER A 68 -15.265 0.414 7.117 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.357 -3.160 7.204 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.701 -3.434 6.710 1.00 0.00 C ATOM 1012 C VAL A 69 -20.471 -2.141 6.467 1.00 0.00 C ATOM 1013 O VAL A 69 -20.537 -1.272 7.336 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.493 -4.313 7.697 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.911 -4.534 7.195 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.783 -5.640 7.916 1.00 0.00 C ATOM 0 H VAL A 69 -18.119 -3.644 8.070 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.589 -3.969 5.767 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.549 -3.795 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.455 -5.157 7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.415 -3.573 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.880 -5.031 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.356 -6.248 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.694 -6.166 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.789 -5.458 8.324 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.054 -2.020 5.278 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.813 -0.830 4.942 1.00 0.00 C ATOM 1028 C GLY A 70 -20.924 0.337 4.561 1.00 0.00 C ATOM 1029 O GLY A 70 -21.392 1.468 4.441 1.00 0.00 O ATOM 0 H GLY A 70 -21.014 -2.725 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.487 -1.054 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.434 -0.547 5.792 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.637 0.061 4.374 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.680 1.098 4.008 1.00 0.00 C ATOM 1035 C GLN A 71 -18.268 0.967 2.545 1.00 0.00 C ATOM 1036 O GLN A 71 -18.045 -0.137 2.049 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.444 1.021 4.906 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.676 2.330 4.998 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.176 2.135 4.901 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.507 1.869 5.900 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.639 2.267 3.694 1.00 0.00 N ATOM 0 H GLN A 71 -19.234 -0.871 4.470 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.162 2.066 4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.751 0.718 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.779 0.245 4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.004 2.996 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.914 2.821 5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.231 2.488 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.634 2.147 3.567 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.170 2.101 1.859 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.787 2.113 0.453 1.00 0.00 C ATOM 1052 C ARG A 72 -16.543 2.969 0.235 1.00 0.00 C ATOM 1053 O ARG A 72 -16.436 4.073 0.769 1.00 0.00 O ATOM 1054 CB ARG A 72 -18.938 2.639 -0.407 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.557 2.872 -1.860 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.782 3.132 -2.723 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.653 4.151 -2.143 1.00 0.00 N ATOM 1058 CZ ARG A 72 -21.783 4.560 -2.709 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -22.176 4.040 -3.863 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -22.522 5.491 -2.120 1.00 0.00 N ATOM 0 H ARG A 72 -18.351 3.024 2.255 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.559 1.089 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.764 1.929 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.300 3.575 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.877 3.721 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.021 2.003 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.465 3.449 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.341 2.205 -2.847 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.379 4.571 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -21.610 3.324 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.044 4.356 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.223 5.893 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.390 5.804 -2.555 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.606 2.452 -0.553 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.370 3.169 -0.842 1.00 0.00 C ATOM 1076 C ALA A 73 -13.750 2.689 -2.150 1.00 0.00 C ATOM 1077 O ALA A 73 -14.105 1.628 -2.665 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.383 3.004 0.304 1.00 0.00 C ATOM 0 H ALA A 73 -15.679 1.539 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.610 4.227 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.465 3.545 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.819 3.402 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.157 1.946 0.440 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.823 3.477 -2.684 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.152 3.132 -3.932 1.00 0.00 C ATOM 1086 C LYS A 74 -10.841 2.400 -3.661 1.00 0.00 C ATOM 1087 O LYS A 74 -10.074 2.786 -2.778 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.883 4.394 -4.755 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.612 5.123 -4.354 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.624 6.566 -4.829 1.00 0.00 C ATOM 1091 CE LYS A 74 -9.218 7.067 -5.123 1.00 0.00 C ATOM 1092 NZ LYS A 74 -8.994 7.264 -6.582 1.00 0.00 N ATOM 0 H LYS A 74 -12.519 4.359 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.807 2.469 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.819 4.123 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.729 5.073 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.503 5.097 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.748 4.608 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.237 6.650 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.085 7.197 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.051 8.008 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.490 6.354 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.187 7.904 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.792 6.347 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.846 7.678 -7.011 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.590 1.344 -4.427 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.371 0.559 -4.271 1.00 0.00 C ATOM 1108 C LEU A 75 -8.463 0.716 -5.486 1.00 0.00 C ATOM 1109 O LEU A 75 -8.628 0.024 -6.491 1.00 0.00 O ATOM 1110 CB LEU A 75 -9.714 -0.917 -4.064 1.00 0.00 C ATOM 1111 CG LEU A 75 -8.579 -1.805 -3.551 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.284 -1.503 -2.090 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -8.928 -3.275 -3.734 1.00 0.00 C ATOM 0 H LEU A 75 -11.214 1.012 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.840 0.929 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.545 -0.981 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.067 -1.324 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.683 -1.590 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.474 -2.144 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.990 -0.459 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.176 -1.690 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.109 -3.892 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.837 -3.505 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.088 -3.482 -4.792 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.502 1.629 -5.387 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.565 1.875 -6.477 1.00 0.00 C ATOM 1127 C VAL A 76 -5.257 1.124 -6.257 1.00 0.00 C ATOM 1128 O VAL A 76 -4.406 1.554 -5.477 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.262 3.377 -6.629 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -5.865 3.980 -5.290 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.172 3.599 -7.666 1.00 0.00 C ATOM 0 H VAL A 76 -7.352 2.211 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.039 1.514 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.166 3.879 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.655 5.042 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.681 3.854 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.975 3.476 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.971 4.666 -7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.263 3.085 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.500 3.205 -8.628 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.103 0.000 -6.948 1.00 0.00 N ATOM 1142 CA CYS A 77 -3.898 -0.813 -6.828 1.00 0.00 C ATOM 1143 C CYS A 77 -3.284 -1.080 -8.199 1.00 0.00 C ATOM 1144 O CYS A 77 -3.935 -0.899 -9.228 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.217 -2.136 -6.132 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.475 -3.127 -6.971 1.00 0.00 S ATOM 0 H CYS A 77 -5.798 -0.369 -7.597 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.175 -0.261 -6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.302 -2.722 -6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.552 -1.928 -5.116 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.136 -4.381 -6.932 1.00 0.00 H new ATOM 1152 N SER A 78 -2.026 -1.509 -8.204 1.00 0.00 N ATOM 1153 CA SER A 78 -1.322 -1.796 -9.449 1.00 0.00 C ATOM 1154 C SER A 78 -1.734 -3.156 -10.005 1.00 0.00 C ATOM 1155 O SER A 78 -2.381 -3.960 -9.334 1.00 0.00 O ATOM 1156 CB SER A 78 0.191 -1.763 -9.222 1.00 0.00 C ATOM 1157 OG SER A 78 0.498 -1.571 -7.852 1.00 0.00 O ATOM 0 H SER A 78 -1.474 -1.665 -7.361 1.00 0.00 H new ATOM 0 HA SER A 78 -1.591 -1.029 -10.175 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.634 -2.696 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.633 -0.961 -9.813 1.00 0.00 H new ATOM 0 HG SER A 78 1.471 -1.555 -7.734 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.351 -3.420 -11.263 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.669 -4.681 -11.939 1.00 0.00 C ATOM 1165 C PRO A 79 -0.902 -5.862 -11.354 1.00 0.00 C ATOM 1166 O PRO A 79 -1.331 -7.010 -11.467 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.237 -4.427 -13.386 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.188 -3.373 -13.288 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.578 -2.507 -12.123 1.00 0.00 C ATOM 0 HA PRO A 79 -2.721 -4.945 -11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.846 -5.334 -13.847 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.076 -4.095 -13.997 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.796 -3.815 -13.133 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.134 -2.789 -14.207 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.296 -2.112 -11.606 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.175 -1.652 -12.440 1.00 0.00 H new ATOM 1177 N ASP A 80 0.234 -5.572 -10.729 1.00 0.00 N ATOM 1178 CA ASP A 80 1.060 -6.610 -10.124 1.00 0.00 C ATOM 1179 C ASP A 80 0.305 -7.324 -9.008 1.00 0.00 C ATOM 1180 O ASP A 80 0.600 -8.474 -8.682 1.00 0.00 O ATOM 1181 CB ASP A 80 2.354 -6.007 -9.577 1.00 0.00 C ATOM 1182 CG ASP A 80 3.283 -5.534 -10.677 1.00 0.00 C ATOM 1183 OD1 ASP A 80 2.809 -5.357 -11.819 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.484 -5.339 -10.396 1.00 0.00 O ATOM 0 H ASP A 80 0.604 -4.627 -10.628 1.00 0.00 H new ATOM 0 HA ASP A 80 1.306 -7.340 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.113 -5.168 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.867 -6.749 -8.966 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.670 -6.635 -8.425 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.465 -7.201 -7.342 1.00 0.00 C ATOM 1191 C TYR A 81 -2.891 -7.487 -7.805 1.00 0.00 C ATOM 1192 O TYR A 81 -3.787 -7.706 -6.992 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.487 -6.250 -6.145 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.374 -6.499 -5.153 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.895 -6.871 -5.580 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.591 -6.362 -3.787 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.914 -7.101 -4.677 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.424 -6.588 -2.877 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.674 -6.958 -3.327 1.00 0.00 C ATOM 1200 OH TYR A 81 2.687 -7.184 -2.424 1.00 0.00 O ATOM 0 H TYR A 81 -0.929 -5.683 -8.685 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.004 -8.142 -7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.418 -5.224 -6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.445 -6.344 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.088 -6.982 -6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.569 -6.074 -3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.894 -7.391 -5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.239 -6.475 -1.819 1.00 0.00 H new ATOM 0 HH TYR A 81 2.353 -7.039 -1.514 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.091 -7.484 -9.119 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.405 -7.745 -9.692 1.00 0.00 C ATOM 1212 C ALA A 82 -4.286 -8.345 -11.089 1.00 0.00 C ATOM 1213 O ALA A 82 -3.213 -8.796 -11.492 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.227 -6.465 -9.734 1.00 0.00 C ATOM 0 H ALA A 82 -2.359 -7.304 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.913 -8.470 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.206 -6.675 -10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.351 -6.079 -8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.714 -5.723 -10.345 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.393 -8.347 -11.824 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.412 -8.894 -13.175 1.00 0.00 C ATOM 1222 C TYR A 83 -5.143 -7.805 -14.208 1.00 0.00 C ATOM 1223 O TYR A 83 -5.412 -7.980 -15.396 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.760 -9.560 -13.458 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.945 -8.768 -12.953 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.183 -7.475 -13.401 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.827 -9.314 -12.028 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.264 -6.747 -12.942 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.911 -8.594 -11.564 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.125 -7.311 -12.024 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.204 -6.591 -11.565 1.00 0.00 O ATOM 0 H TYR A 83 -6.288 -7.976 -11.507 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.622 -9.641 -13.249 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.864 -9.708 -14.533 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.771 -10.548 -12.998 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.511 -7.031 -14.121 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.662 -10.318 -11.666 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.434 -5.742 -13.300 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.587 -9.033 -10.845 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.221 -5.713 -12.000 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.610 -6.678 -13.746 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.313 -5.575 -14.641 1.00 0.00 C ATOM 1243 C GLY A 84 -3.181 -5.895 -15.598 1.00 0.00 C ATOM 1244 O GLY A 84 -3.072 -5.291 -16.665 1.00 0.00 O ATOM 0 H GLY A 84 -4.378 -6.509 -12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.207 -5.323 -15.211 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.051 -4.695 -14.054 1.00 0.00 H new ATOM 1248 N SER A 85 -2.335 -6.845 -15.214 1.00 0.00 N ATOM 1249 CA SER A 85 -1.202 -7.240 -16.043 1.00 0.00 C ATOM 1250 C SER A 85 -1.653 -7.556 -17.466 1.00 0.00 C ATOM 1251 O SER A 85 -1.376 -6.802 -18.399 1.00 0.00 O ATOM 1252 CB SER A 85 -0.498 -8.456 -15.437 1.00 0.00 C ATOM 1253 OG SER A 85 0.272 -9.137 -16.412 1.00 0.00 O ATOM 0 H SER A 85 -2.412 -7.356 -14.334 1.00 0.00 H new ATOM 0 HA SER A 85 -0.502 -6.405 -16.079 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.146 -8.136 -14.618 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.238 -9.135 -15.014 1.00 0.00 H new ATOM 0 HG SER A 85 0.713 -9.909 -16.000 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.351 -8.677 -17.623 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.840 -9.094 -18.931 1.00 0.00 C ATOM 1261 C ARG A 86 -3.908 -8.133 -19.444 1.00 0.00 C ATOM 1262 O ARG A 86 -3.865 -7.697 -20.594 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.409 -10.513 -18.857 1.00 0.00 C ATOM 1264 CG ARG A 86 -4.440 -10.699 -17.757 1.00 0.00 C ATOM 1265 CD ARG A 86 -5.856 -10.670 -18.309 1.00 0.00 C ATOM 1266 NE ARG A 86 -6.453 -12.002 -18.357 1.00 0.00 N ATOM 1267 CZ ARG A 86 -6.842 -12.672 -17.278 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -6.699 -12.137 -16.074 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -7.377 -13.880 -17.403 1.00 0.00 N ATOM 0 H ARG A 86 -2.590 -9.312 -16.861 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.000 -9.081 -19.626 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.864 -10.763 -19.815 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.591 -11.216 -18.699 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.265 -11.648 -17.250 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.323 -9.913 -17.011 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.473 -10.019 -17.690 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.846 -10.241 -19.311 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.578 -12.442 -19.269 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.289 -11.208 -15.974 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.999 -12.654 -15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.490 -14.295 -18.328 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.675 -14.394 -16.574 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.867 -7.807 -18.583 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.933 -6.900 -18.968 1.00 0.00 C ATOM 1285 C GLY A 87 -6.693 -7.383 -20.187 1.00 0.00 C ATOM 1286 O GLY A 87 -6.514 -8.518 -20.630 1.00 0.00 O ATOM 0 H GLY A 87 -4.925 -8.155 -17.626 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.626 -6.784 -18.134 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.512 -5.916 -19.173 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.545 -6.520 -20.732 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.336 -6.865 -21.907 1.00 0.00 C ATOM 1292 C HIS A 88 -8.646 -5.623 -22.738 1.00 0.00 C ATOM 1293 O HIS A 88 -8.641 -4.497 -22.240 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.637 -7.551 -21.489 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.529 -9.042 -21.408 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.960 -9.811 -22.402 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.919 -9.907 -20.443 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -9.007 -11.084 -22.052 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.584 -11.169 -20.867 1.00 0.00 N ATOM 0 H HIS A 88 -7.705 -5.577 -20.378 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.752 -7.553 -22.518 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.946 -7.164 -20.518 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.421 -7.290 -22.200 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.404 -9.652 -19.512 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.637 -11.914 -22.636 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.753 -12.032 -20.351 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.921 -5.831 -24.034 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.237 -4.740 -24.961 1.00 0.00 C ATOM 1309 C PRO A 89 -10.596 -4.110 -24.672 1.00 0.00 C ATOM 1310 O PRO A 89 -11.631 -4.765 -24.785 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.246 -5.427 -26.328 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.563 -6.853 -26.034 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.944 -7.146 -24.695 1.00 0.00 C ATOM 0 HA PRO A 89 -8.522 -3.921 -24.886 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.991 -4.984 -26.989 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.281 -5.331 -26.826 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.640 -7.017 -26.010 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.158 -7.510 -26.804 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.532 -7.869 -24.130 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.942 -7.561 -24.798 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.584 -2.834 -24.299 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.822 -2.137 -24.001 1.00 0.00 C ATOM 1323 C GLY A 90 -12.348 -2.457 -22.616 1.00 0.00 C ATOM 1324 O GLY A 90 -13.465 -2.076 -22.264 1.00 0.00 O ATOM 0 H GLY A 90 -9.740 -2.271 -24.198 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.660 -1.062 -24.085 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.574 -2.405 -24.743 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.543 -3.162 -21.827 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.934 -3.535 -20.473 1.00 0.00 C ATOM 1330 C VAL A 91 -10.857 -3.152 -19.465 1.00 0.00 C ATOM 1331 O VAL A 91 -11.116 -2.416 -18.512 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.210 -5.046 -20.364 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.777 -5.389 -18.995 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.155 -5.495 -21.469 1.00 0.00 C ATOM 0 H VAL A 91 -10.616 -3.486 -22.103 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.850 -2.989 -20.247 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.267 -5.579 -20.483 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.965 -6.461 -18.937 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.062 -5.104 -18.223 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.711 -4.848 -18.842 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.340 -6.565 -21.377 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.098 -4.955 -21.383 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.705 -5.286 -22.440 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.646 -3.657 -19.681 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.528 -3.366 -18.792 1.00 0.00 C ATOM 1346 C ILE A 92 -7.265 -3.049 -19.584 1.00 0.00 C ATOM 1347 O ILE A 92 -6.906 -3.744 -20.535 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.243 -4.545 -17.843 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.479 -4.857 -16.996 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -7.050 -4.232 -16.953 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.281 -6.014 -16.042 1.00 0.00 C ATOM 0 H ILE A 92 -9.415 -4.269 -20.463 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.812 -2.495 -18.201 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.004 -5.424 -18.441 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.752 -3.969 -16.426 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.316 -5.081 -17.658 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.861 -5.075 -16.288 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.171 -4.054 -17.572 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.262 -3.342 -16.360 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.197 -6.178 -15.475 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.038 -6.914 -16.607 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.466 -5.785 -15.356 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.570 -1.973 -19.183 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.333 -1.540 -19.840 1.00 0.00 C ATOM 1365 C PRO A 93 -4.177 -2.501 -19.591 1.00 0.00 C ATOM 1366 O PRO A 93 -4.180 -3.281 -18.638 1.00 0.00 O ATOM 1367 CB PRO A 93 -5.047 -0.181 -19.196 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.716 -0.244 -17.866 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.938 -1.098 -18.057 1.00 0.00 C ATOM 0 HA PRO A 93 -5.440 -1.500 -20.924 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.976 -0.010 -19.093 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.443 0.635 -19.800 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.053 -0.674 -17.116 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.987 0.753 -17.518 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.171 -1.673 -17.161 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.817 -0.496 -18.287 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.162 -2.447 -20.466 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.979 -3.306 -20.361 1.00 0.00 C ATOM 1379 C PRO A 94 -1.100 -2.939 -19.170 1.00 0.00 C ATOM 1380 O PRO A 94 -0.333 -1.979 -19.224 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.235 -3.048 -21.673 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.669 -1.686 -22.093 1.00 0.00 C ATOM 1383 CD PRO A 94 -3.091 -1.542 -21.626 1.00 0.00 C ATOM 0 HA PRO A 94 -2.247 -4.351 -20.206 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.155 -3.093 -21.531 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.489 -3.794 -22.426 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.033 -0.920 -21.649 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.600 -1.571 -23.175 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.320 -0.513 -21.348 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.800 -1.828 -22.403 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.217 -3.711 -18.094 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.433 -3.467 -16.889 1.00 0.00 C ATOM 1393 C ASN A 95 -0.507 -1.999 -16.480 1.00 0.00 C ATOM 1394 O ASN A 95 0.504 -1.297 -16.462 1.00 0.00 O ATOM 1395 CB ASN A 95 1.025 -3.872 -17.114 1.00 0.00 C ATOM 1396 CG ASN A 95 1.156 -5.085 -18.015 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.245 -6.218 -17.542 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.169 -4.851 -19.322 1.00 0.00 N ATOM 0 H ASN A 95 -1.847 -4.511 -18.032 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.851 -4.072 -16.084 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.568 -3.036 -17.554 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.493 -4.085 -16.153 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.255 -5.627 -19.978 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.093 -3.895 -19.670 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.711 -1.543 -16.151 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.917 -0.160 -15.739 1.00 0.00 C ATOM 1407 C ALA A 96 -2.693 -0.087 -14.429 1.00 0.00 C ATOM 1408 O ALA A 96 -3.498 -0.967 -14.121 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.645 0.613 -16.830 1.00 0.00 C ATOM 0 H ALA A 96 -2.558 -2.111 -16.162 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.939 0.294 -15.577 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.792 1.644 -16.509 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.051 0.599 -17.744 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.614 0.150 -17.019 1.00 0.00 H new ATOM 1415 N THR A 97 -2.446 0.968 -13.658 1.00 0.00 N ATOM 1416 CA THR A 97 -3.120 1.154 -12.379 1.00 0.00 C ATOM 1417 C THR A 97 -4.634 1.105 -12.543 1.00 0.00 C ATOM 1418 O THR A 97 -5.193 1.739 -13.439 1.00 0.00 O ATOM 1419 CB THR A 97 -2.729 2.494 -11.728 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.303 2.616 -11.676 1.00 0.00 O ATOM 1421 CG2 THR A 97 -3.303 2.602 -10.324 1.00 0.00 C ATOM 0 H THR A 97 -1.784 1.706 -13.897 1.00 0.00 H new ATOM 0 HA THR A 97 -2.801 0.337 -11.732 1.00 0.00 H new ATOM 0 HB THR A 97 -3.141 3.301 -12.335 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.063 3.471 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.013 3.557 -9.885 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.390 2.539 -10.370 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.917 1.788 -9.710 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.295 0.349 -11.673 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.747 0.217 -11.721 1.00 0.00 C ATOM 1431 C LEU A 98 -7.372 0.590 -10.381 1.00 0.00 C ATOM 1432 O LEU A 98 -6.806 0.319 -9.322 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.137 -1.213 -12.099 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.269 -1.887 -13.162 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.644 -3.354 -13.305 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.406 -1.167 -14.496 1.00 0.00 C ATOM 0 H LEU A 98 -4.848 -0.182 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.125 0.902 -12.480 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.113 -1.825 -11.197 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.168 -1.206 -12.452 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.228 -1.829 -12.845 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.016 -3.818 -14.066 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.495 -3.862 -12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.690 -3.435 -13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.782 -1.660 -15.241 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.447 -1.194 -14.819 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.088 -0.130 -14.384 1.00 0.00 H new ATOM 1448 N THR A 99 -8.546 1.212 -10.434 1.00 0.00 N ATOM 1449 CA THR A 99 -9.249 1.622 -9.225 1.00 0.00 C ATOM 1450 C THR A 99 -10.653 1.030 -9.178 1.00 0.00 C ATOM 1451 O THR A 99 -11.564 1.513 -9.851 1.00 0.00 O ATOM 1452 CB THR A 99 -9.348 3.155 -9.124 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.055 3.743 -9.314 1.00 0.00 O ATOM 1454 CG2 THR A 99 -9.907 3.574 -7.773 1.00 0.00 C ATOM 0 H THR A 99 -9.030 1.443 -11.302 1.00 0.00 H new ATOM 0 HA THR A 99 -8.670 1.247 -8.381 1.00 0.00 H new ATOM 0 HB THR A 99 -10.025 3.505 -9.904 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.127 4.718 -9.250 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.967 4.661 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.902 3.149 -7.644 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.252 3.212 -6.980 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.822 -0.020 -8.380 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.116 -0.678 -8.247 1.00 0.00 C ATOM 1464 C PHE A 100 -12.797 -0.279 -6.940 1.00 0.00 C ATOM 1465 O PHE A 100 -12.246 -0.473 -5.856 1.00 0.00 O ATOM 1466 CB PHE A 100 -11.947 -2.198 -8.304 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.720 -2.724 -9.692 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.545 -2.443 -10.370 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.683 -3.499 -10.319 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -10.333 -2.926 -11.648 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -12.476 -3.985 -11.596 1.00 0.00 C ATOM 1472 CZ PHE A 100 -11.300 -3.697 -12.262 1.00 0.00 C ATOM 0 H PHE A 100 -10.079 -0.433 -7.816 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.746 -0.358 -9.077 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.106 -2.486 -7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -12.836 -2.670 -7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.786 -1.840 -9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.605 -3.725 -9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -9.412 -2.701 -12.165 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -13.233 -4.590 -12.073 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.138 -4.074 -13.261 1.00 0.00 H new ATOM 1482 N ASP A 101 -13.997 0.279 -7.052 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.754 0.705 -5.881 1.00 0.00 C ATOM 1484 C ASP A 101 -15.415 -0.488 -5.197 1.00 0.00 C ATOM 1485 O ASP A 101 -16.236 -1.183 -5.796 1.00 0.00 O ATOM 1486 CB ASP A 101 -15.815 1.732 -6.279 1.00 0.00 C ATOM 1487 CG ASP A 101 -16.958 1.798 -5.286 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -16.692 2.039 -4.090 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -18.120 1.609 -5.704 1.00 0.00 O ATOM 0 H ASP A 101 -14.467 0.447 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.059 1.165 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -15.352 2.715 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.208 1.481 -7.264 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.050 -0.720 -3.940 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.607 -1.829 -3.175 1.00 0.00 C ATOM 1496 C VAL A 102 -16.549 -1.328 -2.087 1.00 0.00 C ATOM 1497 O VAL A 102 -16.266 -0.337 -1.416 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.496 -2.677 -2.526 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -13.920 -3.662 -3.532 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.406 -1.781 -1.959 1.00 0.00 C ATOM 0 H VAL A 102 -14.371 -0.155 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.165 -2.449 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.930 -3.247 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.137 -4.252 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -14.710 -4.325 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -13.500 -3.116 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.629 -2.396 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.973 -1.183 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.834 -1.121 -1.205 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.672 -2.020 -1.919 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.657 -1.644 -0.911 1.00 0.00 C ATOM 1512 C GLU A 103 -19.060 -2.849 -0.067 1.00 0.00 C ATOM 1513 O GLU A 103 -19.719 -3.769 -0.553 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.894 -1.037 -1.577 1.00 0.00 C ATOM 1515 CG GLU A 103 -21.015 -0.718 -0.602 1.00 0.00 C ATOM 1516 CD GLU A 103 -22.246 -0.162 -1.291 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.282 -0.168 -2.539 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -23.174 0.278 -0.581 1.00 0.00 O ATOM 0 H GLU A 103 -17.922 -2.843 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.203 -0.900 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.605 -0.124 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.266 -1.729 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.286 -1.622 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.658 0.003 0.133 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.658 -2.838 1.199 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.976 -3.930 2.112 1.00 0.00 C ATOM 1527 C LEU A 104 -20.481 -4.028 2.341 1.00 0.00 C ATOM 1528 O LEU A 104 -21.143 -3.028 2.621 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.257 -3.730 3.448 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.847 -5.004 4.187 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -19.014 -5.978 4.259 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.650 -5.653 3.508 1.00 0.00 C ATOM 0 H LEU A 104 -18.111 -2.085 1.617 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.635 -4.861 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.362 -3.133 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.905 -3.147 4.103 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.561 -4.735 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.704 -6.879 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.844 -5.513 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.331 -6.241 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.372 -6.558 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.909 -5.908 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.810 -4.958 3.509 1.00 0.00 H new ATOM 1544 N LEU A 105 -21.015 -5.239 2.222 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.442 -5.468 2.419 1.00 0.00 C ATOM 1546 C LEU A 105 -22.691 -6.319 3.660 1.00 0.00 C ATOM 1547 O LEU A 105 -23.679 -6.127 4.369 1.00 0.00 O ATOM 1548 CB LEU A 105 -23.042 -6.151 1.189 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.666 -5.225 0.144 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.791 -4.407 0.760 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -22.609 -4.312 -0.459 1.00 0.00 C ATOM 0 H LEU A 105 -20.481 -6.077 1.990 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.924 -4.501 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.260 -6.736 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.805 -6.854 1.524 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.085 -5.839 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.223 -3.754 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.561 -5.077 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.396 -3.803 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -23.071 -3.660 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -22.160 -3.706 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.837 -4.915 -0.937 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.787 -7.259 3.917 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.908 -8.139 5.073 1.00 0.00 C ATOM 1565 C ARG A 106 -20.658 -8.999 5.236 1.00 0.00 C ATOM 1566 O ARG A 106 -19.875 -9.158 4.299 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.141 -9.035 4.933 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.119 -9.910 3.690 1.00 0.00 C ATOM 1569 CD ARG A 106 -23.647 -11.306 3.983 1.00 0.00 C ATOM 1570 NE ARG A 106 -25.046 -11.286 4.400 1.00 0.00 N ATOM 1571 CZ ARG A 106 -25.846 -12.345 4.341 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -25.386 -13.503 3.886 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -27.108 -12.248 4.738 1.00 0.00 N ATOM 0 H ARG A 106 -20.963 -7.431 3.340 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.018 -7.516 5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.219 -9.672 5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.034 -8.410 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -23.722 -9.448 2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.100 -9.978 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -23.543 -11.927 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -23.042 -11.765 4.765 1.00 0.00 H new ATOM 0 HE ARG A 106 -25.430 -10.411 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -24.416 -13.582 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -26.002 -14.315 3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -27.465 -11.359 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -27.721 -13.062 4.692 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.476 -9.550 6.432 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.322 -10.393 6.717 1.00 0.00 C ATOM 1589 C VAL A 107 -19.751 -11.726 7.322 1.00 0.00 C ATOM 1590 O VAL A 107 -20.716 -11.791 8.083 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.343 -9.697 7.681 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -17.165 -10.607 7.996 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.864 -8.378 7.093 1.00 0.00 C ATOM 0 H VAL A 107 -21.113 -9.427 7.219 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.819 -10.573 5.767 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.868 -9.485 8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.484 -10.098 8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.528 -11.523 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.638 -10.852 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.173 -7.900 7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.356 -8.565 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -18.719 -7.723 6.923 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.027 -12.786 6.977 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.333 -14.118 7.486 1.00 0.00 C ATOM 1605 C GLU A 108 -18.054 -14.907 7.751 1.00 0.00 C ATOM 1606 O GLU A 108 -17.354 -15.303 6.820 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.217 -14.876 6.493 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.689 -14.507 6.584 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.594 -15.570 5.991 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.670 -16.673 6.571 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.225 -15.298 4.949 1.00 0.00 O ATOM 0 H GLU A 108 -18.225 -12.749 6.348 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.870 -14.005 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.864 -14.679 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.108 -15.947 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.956 -14.349 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.856 -13.563 6.066 1.00 0.00 H new