USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -106:sc= -1.34 (180deg=-3.72!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 21 SER OG : rot -153:sc= 0.0691 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -36:sc= 1.23 USER MOD Single : A 47 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.7!) USER MOD Single : A 61 TYR OH : rot 95:sc= 0.444 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -123:sc= -4.12! (180deg=-7.63!) USER MOD Single : A 72 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-2.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -2.7 K(o=-2.7,f=-3.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.763 -2.904 2.024 1.00 0.00 N ATOM 63 CA LEU A 8 12.969 -1.691 2.109 1.00 0.00 C ATOM 64 C LEU A 8 11.763 -1.809 1.176 1.00 0.00 C ATOM 65 O LEU A 8 10.621 -1.659 1.609 1.00 0.00 O ATOM 66 CB LEU A 8 13.840 -0.462 1.836 1.00 0.00 C ATOM 67 CG LEU A 8 14.468 0.201 3.063 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.208 1.482 2.676 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.418 0.452 4.148 1.00 0.00 C ATOM 0 HA LEU A 8 12.579 -1.560 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.640 -0.752 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.234 0.280 1.317 1.00 0.00 H new ATOM 0 HG LEU A 8 15.206 -0.484 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.645 1.933 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.999 1.245 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.508 2.183 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.891 0.924 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.640 1.107 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.975 -0.496 4.452 1.00 0.00 H new ATOM 80 N ARG A 9 12.056 -2.076 -0.088 1.00 0.00 N ATOM 81 CA ARG A 9 11.010 -2.217 -1.086 1.00 0.00 C ATOM 82 C ARG A 9 10.113 -3.410 -0.751 1.00 0.00 C ATOM 83 O ARG A 9 8.922 -3.403 -1.060 1.00 0.00 O ATOM 84 CB ARG A 9 11.603 -2.410 -2.484 1.00 0.00 C ATOM 85 CG ARG A 9 10.520 -2.300 -3.559 1.00 0.00 C ATOM 86 CD ARG A 9 10.462 -3.570 -4.410 1.00 0.00 C ATOM 87 NE ARG A 9 9.247 -3.557 -5.256 1.00 0.00 N ATOM 88 CZ ARG A 9 8.868 -4.575 -6.041 1.00 0.00 C ATOM 89 NH1 ARG A 9 9.604 -5.693 -6.092 1.00 0.00 N ATOM 90 NH2 ARG A 9 7.750 -4.475 -6.774 1.00 0.00 N ATOM 0 H ARG A 9 13.004 -2.199 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 9 10.420 -1.301 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.375 -1.661 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.085 -3.386 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.552 -2.128 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.722 -1.439 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.351 -3.639 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.457 -4.449 -3.766 1.00 0.00 H new ATOM 0 HE ARG A 9 8.662 -2.721 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.454 -5.770 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.315 -6.467 -6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.188 -3.624 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.461 -5.249 -7.372 1.00 0.00 H new ATOM 101 N LYS A 10 10.719 -4.406 -0.123 1.00 0.00 N ATOM 102 CA LYS A 10 9.990 -5.605 0.258 1.00 0.00 C ATOM 103 C LYS A 10 9.114 -5.299 1.475 1.00 0.00 C ATOM 104 O LYS A 10 8.049 -5.890 1.643 1.00 0.00 O ATOM 105 CB LYS A 10 10.955 -6.773 0.473 1.00 0.00 C ATOM 106 CG LYS A 10 10.297 -7.883 1.296 1.00 0.00 C ATOM 107 CD LYS A 10 8.989 -8.344 0.647 1.00 0.00 C ATOM 108 CE LYS A 10 7.873 -8.463 1.687 1.00 0.00 C ATOM 109 NZ LYS A 10 7.413 -9.865 1.797 1.00 0.00 N ATOM 0 H LYS A 10 11.707 -4.408 0.132 1.00 0.00 H new ATOM 0 HA LYS A 10 9.323 -5.917 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.272 -7.170 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.851 -6.420 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.980 -8.728 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.099 -7.524 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.695 -7.637 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.141 -9.307 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.232 -8.115 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.038 -7.821 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.656 -9.927 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.051 -10.185 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.208 -10.470 2.085 1.00 0.00 H new ATOM 119 N MET A 11 9.596 -4.373 2.293 1.00 0.00 N ATOM 120 CA MET A 11 8.870 -3.981 3.489 1.00 0.00 C ATOM 121 C MET A 11 7.544 -3.307 3.130 1.00 0.00 C ATOM 122 O MET A 11 6.492 -3.690 3.636 1.00 0.00 O ATOM 123 CB MET A 11 9.727 -3.018 4.313 1.00 0.00 C ATOM 124 CG MET A 11 10.874 -3.759 5.003 1.00 0.00 C ATOM 125 SD MET A 11 10.833 -3.447 6.761 1.00 0.00 S ATOM 126 CE MET A 11 11.894 -2.014 6.846 1.00 0.00 C ATOM 0 H MET A 11 10.480 -3.884 2.151 1.00 0.00 H new ATOM 0 HA MET A 11 8.654 -4.877 4.071 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.130 -2.239 3.666 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.107 -2.523 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.793 -4.829 4.813 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.829 -3.434 4.590 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.858 -2.300 7.267 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.040 -1.610 5.844 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.432 -1.256 7.479 1.00 0.00 H new ATOM 134 N VAL A 12 7.641 -2.312 2.259 1.00 0.00 N ATOM 135 CA VAL A 12 6.463 -1.581 1.826 1.00 0.00 C ATOM 136 C VAL A 12 5.582 -2.497 0.975 1.00 0.00 C ATOM 137 O VAL A 12 4.357 -2.390 1.005 1.00 0.00 O ATOM 138 CB VAL A 12 6.879 -0.303 1.094 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.098 -0.555 0.203 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.715 0.268 0.282 1.00 0.00 C ATOM 0 H VAL A 12 8.517 -1.996 1.842 1.00 0.00 H new ATOM 0 HA VAL A 12 5.871 -1.269 2.686 1.00 0.00 H new ATOM 0 HB VAL A 12 7.158 0.437 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.374 0.369 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.933 -0.895 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.857 -1.319 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.038 1.176 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.391 -0.467 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.886 0.502 0.950 1.00 0.00 H new ATOM 150 N GLU A 13 6.240 -3.378 0.236 1.00 0.00 N ATOM 151 CA GLU A 13 5.533 -4.313 -0.622 1.00 0.00 C ATOM 152 C GLU A 13 4.358 -4.940 0.131 1.00 0.00 C ATOM 153 O GLU A 13 3.237 -4.971 -0.375 1.00 0.00 O ATOM 154 CB GLU A 13 6.478 -5.391 -1.157 1.00 0.00 C ATOM 155 CG GLU A 13 7.182 -4.918 -2.431 1.00 0.00 C ATOM 156 CD GLU A 13 6.634 -5.644 -3.662 1.00 0.00 C ATOM 157 OE1 GLU A 13 6.778 -6.885 -3.700 1.00 0.00 O ATOM 158 OE2 GLU A 13 6.081 -4.942 -4.535 1.00 0.00 O ATOM 0 H GLU A 13 7.256 -3.464 0.214 1.00 0.00 H new ATOM 0 HA GLU A 13 5.141 -3.764 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.220 -5.639 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.917 -6.302 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.046 -3.843 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.254 -5.097 -2.346 1.00 0.00 H new ATOM 163 N GLU A 14 4.654 -5.423 1.328 1.00 0.00 N ATOM 164 CA GLU A 14 3.635 -6.047 2.156 1.00 0.00 C ATOM 165 C GLU A 14 2.677 -4.989 2.707 1.00 0.00 C ATOM 166 O GLU A 14 1.478 -5.237 2.832 1.00 0.00 O ATOM 167 CB GLU A 14 4.270 -6.855 3.290 1.00 0.00 C ATOM 168 CG GLU A 14 4.527 -5.973 4.514 1.00 0.00 C ATOM 169 CD GLU A 14 5.609 -6.579 5.410 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.499 -7.254 4.847 1.00 0.00 O ATOM 171 OE2 GLU A 14 5.522 -6.355 6.637 1.00 0.00 O ATOM 0 H GLU A 14 5.584 -5.395 1.745 1.00 0.00 H new ATOM 0 HA GLU A 14 3.064 -6.738 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.614 -7.681 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.208 -7.292 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.832 -4.978 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.604 -5.855 5.082 1.00 0.00 H new ATOM 176 N VAL A 15 3.241 -3.832 3.020 1.00 0.00 N ATOM 177 CA VAL A 15 2.450 -2.735 3.554 1.00 0.00 C ATOM 178 C VAL A 15 1.282 -2.447 2.610 1.00 0.00 C ATOM 179 O VAL A 15 0.130 -2.728 2.939 1.00 0.00 O ATOM 180 CB VAL A 15 3.342 -1.515 3.790 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.501 -0.256 4.011 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.295 -1.750 4.964 1.00 0.00 C ATOM 0 H VAL A 15 4.235 -3.630 2.914 1.00 0.00 H new ATOM 0 HA VAL A 15 2.027 -3.005 4.522 1.00 0.00 H new ATOM 0 HB VAL A 15 3.945 -1.363 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.159 0.597 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.883 -0.072 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.861 -0.394 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.917 -0.867 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.718 -1.940 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.930 -2.610 4.751 1.00 0.00 H new ATOM 192 N PHE A 16 1.618 -1.891 1.454 1.00 0.00 N ATOM 193 CA PHE A 16 0.611 -1.562 0.461 1.00 0.00 C ATOM 194 C PHE A 16 -0.374 -2.718 0.275 1.00 0.00 C ATOM 195 O PHE A 16 -1.520 -2.506 -0.119 1.00 0.00 O ATOM 196 CB PHE A 16 1.347 -1.320 -0.857 1.00 0.00 C ATOM 197 CG PHE A 16 1.969 0.073 -0.976 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.303 1.159 -0.497 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.187 0.227 -1.561 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.881 2.451 -0.607 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.765 1.519 -1.670 1.00 0.00 C ATOM 202 CZ PHE A 16 3.100 2.604 -1.190 1.00 0.00 C ATOM 0 H PHE A 16 2.574 -1.660 1.184 1.00 0.00 H new ATOM 0 HA PHE A 16 0.046 -0.686 0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.133 -2.068 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.651 -1.467 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.335 1.038 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.715 -0.634 -1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.352 3.313 -0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.733 1.640 -2.134 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.540 3.587 -1.272 1.00 0.00 H new ATOM 211 N ASP A 17 0.107 -3.917 0.570 1.00 0.00 N ATOM 212 CA ASP A 17 -0.717 -5.107 0.440 1.00 0.00 C ATOM 213 C ASP A 17 -1.622 -5.230 1.668 1.00 0.00 C ATOM 214 O ASP A 17 -2.844 -5.137 1.555 1.00 0.00 O ATOM 215 CB ASP A 17 0.146 -6.368 0.360 1.00 0.00 C ATOM 216 CG ASP A 17 0.517 -6.808 -1.057 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.310 -5.988 -1.978 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.998 -7.954 -1.189 1.00 0.00 O ATOM 0 H ASP A 17 1.057 -4.090 0.899 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.304 -5.014 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.063 -6.199 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.384 -7.184 0.851 1.00 0.00 H new ATOM 222 N VAL A 18 -0.988 -5.439 2.812 1.00 0.00 N ATOM 223 CA VAL A 18 -1.720 -5.577 4.059 1.00 0.00 C ATOM 224 C VAL A 18 -2.846 -4.542 4.101 1.00 0.00 C ATOM 225 O VAL A 18 -3.989 -4.874 4.416 1.00 0.00 O ATOM 226 CB VAL A 18 -0.761 -5.465 5.246 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.498 -5.006 6.506 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.032 -6.788 5.488 1.00 0.00 C ATOM 0 H VAL A 18 0.025 -5.516 2.901 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.181 -6.563 4.124 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.013 -4.710 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.793 -4.935 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.949 -4.030 6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.278 -5.726 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.643 -6.681 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.760 -7.571 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.541 -7.055 4.600 1.00 0.00 H new ATOM 238 N LEU A 19 -2.485 -3.309 3.779 1.00 0.00 N ATOM 239 CA LEU A 19 -3.451 -2.223 3.776 1.00 0.00 C ATOM 240 C LEU A 19 -4.571 -2.545 2.785 1.00 0.00 C ATOM 241 O LEU A 19 -5.748 -2.511 3.139 1.00 0.00 O ATOM 242 CB LEU A 19 -2.755 -0.888 3.505 1.00 0.00 C ATOM 243 CG LEU A 19 -1.596 -0.534 4.439 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.228 0.947 4.320 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.914 -0.931 5.882 1.00 0.00 C ATOM 0 H LEU A 19 -1.537 -3.037 3.518 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.913 -2.122 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.381 -0.897 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.499 -0.094 3.565 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.722 -1.109 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.402 1.172 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.930 1.167 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.090 1.559 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.074 -0.669 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.806 -0.402 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.088 -2.006 5.934 1.00 0.00 H new ATOM 256 N TYR A 20 -4.165 -2.850 1.560 1.00 0.00 N ATOM 257 CA TYR A 20 -5.119 -3.177 0.514 1.00 0.00 C ATOM 258 C TYR A 20 -6.036 -4.324 0.949 1.00 0.00 C ATOM 259 O TYR A 20 -7.254 -4.238 0.800 1.00 0.00 O ATOM 260 CB TYR A 20 -4.288 -3.632 -0.687 1.00 0.00 C ATOM 261 CG TYR A 20 -5.123 -4.149 -1.861 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.185 -3.404 -2.333 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.814 -5.359 -2.447 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.970 -3.890 -3.438 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.599 -5.845 -3.552 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.638 -5.086 -3.993 1.00 0.00 C ATOM 267 OH TYR A 20 -7.381 -5.545 -5.036 1.00 0.00 O ATOM 0 H TYR A 20 -3.188 -2.877 1.269 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.748 -2.317 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.676 -2.798 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.605 -4.418 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.427 -2.457 -1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.983 -5.942 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.804 -3.318 -3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.368 -6.791 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.029 -6.410 -5.333 1.00 0.00 H new ATOM 276 N SER A 21 -5.415 -5.368 1.477 1.00 0.00 N ATOM 277 CA SER A 21 -6.160 -6.529 1.933 1.00 0.00 C ATOM 278 C SER A 21 -7.095 -6.134 3.079 1.00 0.00 C ATOM 279 O SER A 21 -8.230 -6.601 3.147 1.00 0.00 O ATOM 280 CB SER A 21 -5.217 -7.647 2.380 1.00 0.00 C ATOM 281 OG SER A 21 -5.692 -8.933 1.991 1.00 0.00 O ATOM 0 H SER A 21 -4.405 -5.434 1.599 1.00 0.00 H new ATOM 0 HA SER A 21 -6.755 -6.903 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.229 -7.481 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.104 -7.615 3.464 1.00 0.00 H new ATOM 0 HG SER A 21 -5.349 -9.610 2.611 1.00 0.00 H new ATOM 286 N GLU A 22 -6.582 -5.276 3.949 1.00 0.00 N ATOM 287 CA GLU A 22 -7.357 -4.813 5.088 1.00 0.00 C ATOM 288 C GLU A 22 -8.645 -4.138 4.614 1.00 0.00 C ATOM 289 O GLU A 22 -9.734 -4.471 5.079 1.00 0.00 O ATOM 290 CB GLU A 22 -6.533 -3.868 5.964 1.00 0.00 C ATOM 291 CG GLU A 22 -5.511 -4.645 6.797 1.00 0.00 C ATOM 292 CD GLU A 22 -5.878 -4.615 8.282 1.00 0.00 C ATOM 293 OE1 GLU A 22 -5.568 -3.588 8.924 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.461 -5.621 8.743 1.00 0.00 O ATOM 0 H GLU A 22 -5.640 -4.890 3.888 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.625 -5.677 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.018 -3.140 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.195 -3.308 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.464 -5.678 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.519 -4.216 6.655 1.00 0.00 H new ATOM 299 N ALA A 23 -8.479 -3.198 3.694 1.00 0.00 N ATOM 300 CA ALA A 23 -9.615 -2.472 3.151 1.00 0.00 C ATOM 301 C ALA A 23 -10.511 -3.440 2.377 1.00 0.00 C ATOM 302 O ALA A 23 -11.710 -3.205 2.235 1.00 0.00 O ATOM 303 CB ALA A 23 -9.114 -1.318 2.281 1.00 0.00 C ATOM 0 H ALA A 23 -7.575 -2.923 3.311 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.213 -2.040 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.966 -0.773 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.507 -0.644 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.512 -1.714 1.463 1.00 0.00 H new ATOM 309 N LEU A 24 -9.895 -4.510 1.896 1.00 0.00 N ATOM 310 CA LEU A 24 -10.621 -5.515 1.139 1.00 0.00 C ATOM 311 C LEU A 24 -11.395 -6.414 2.104 1.00 0.00 C ATOM 312 O LEU A 24 -12.405 -7.008 1.731 1.00 0.00 O ATOM 313 CB LEU A 24 -9.671 -6.279 0.214 1.00 0.00 C ATOM 314 CG LEU A 24 -9.659 -5.834 -1.251 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.575 -6.572 -2.039 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.041 -5.998 -1.886 1.00 0.00 C ATOM 0 H LEU A 24 -8.901 -4.703 2.016 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.354 -5.043 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.659 -6.188 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.933 -7.336 0.250 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.414 -4.772 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.588 -6.238 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.599 -6.360 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.764 -7.645 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.004 -5.675 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.340 -7.045 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.765 -5.391 -1.343 1.00 0.00 H new ATOM 327 N GLY A 25 -10.891 -6.486 3.328 1.00 0.00 N ATOM 328 CA GLY A 25 -11.522 -7.302 4.351 1.00 0.00 C ATOM 329 C GLY A 25 -11.352 -8.792 4.045 1.00 0.00 C ATOM 330 O GLY A 25 -12.230 -9.597 4.354 1.00 0.00 O ATOM 0 H GLY A 25 -10.053 -5.992 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.085 -7.075 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.583 -7.058 4.413 1.00 0.00 H new ATOM 334 N ARG A 26 -10.217 -9.114 3.442 1.00 0.00 N ATOM 335 CA ARG A 26 -9.921 -10.492 3.092 1.00 0.00 C ATOM 336 C ARG A 26 -9.248 -11.206 4.266 1.00 0.00 C ATOM 337 O ARG A 26 -9.023 -10.604 5.315 1.00 0.00 O ATOM 338 CB ARG A 26 -9.005 -10.565 1.868 1.00 0.00 C ATOM 339 CG ARG A 26 -9.721 -10.051 0.617 1.00 0.00 C ATOM 340 CD ARG A 26 -10.214 -11.213 -0.248 1.00 0.00 C ATOM 341 NE ARG A 26 -11.693 -11.281 -0.210 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.501 -10.355 -0.745 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.979 -9.286 -1.361 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.831 -10.499 -0.662 1.00 0.00 N ATOM 0 H ARG A 26 -9.492 -8.444 3.187 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.865 -10.983 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.106 -9.974 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.684 -11.595 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.565 -9.426 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.044 -9.423 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.874 -11.082 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.789 -12.150 0.111 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.123 -12.082 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.967 -9.177 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.594 -8.581 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.228 -11.313 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.447 -9.795 -1.069 1.00 0.00 H new ATOM 355 N ALA A 27 -8.946 -12.477 4.050 1.00 0.00 N ATOM 356 CA ALA A 27 -8.303 -13.279 5.077 1.00 0.00 C ATOM 357 C ALA A 27 -6.800 -13.344 4.801 1.00 0.00 C ATOM 358 O ALA A 27 -5.990 -13.167 5.710 1.00 0.00 O ATOM 359 CB ALA A 27 -8.948 -14.666 5.121 1.00 0.00 C ATOM 0 H ALA A 27 -9.135 -12.972 3.178 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.439 -12.825 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.465 -15.267 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.009 -14.567 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.829 -15.153 4.153 1.00 0.00 H new ATOM 365 N SER A 28 -6.472 -13.598 3.543 1.00 0.00 N ATOM 366 CA SER A 28 -5.080 -13.689 3.136 1.00 0.00 C ATOM 367 C SER A 28 -4.598 -12.333 2.616 1.00 0.00 C ATOM 368 O SER A 28 -5.407 -11.471 2.277 1.00 0.00 O ATOM 369 CB SER A 28 -4.887 -14.766 2.067 1.00 0.00 C ATOM 370 OG SER A 28 -5.557 -15.978 2.404 1.00 0.00 O ATOM 0 H SER A 28 -7.146 -13.744 2.792 1.00 0.00 H new ATOM 0 HA SER A 28 -4.487 -13.970 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.260 -14.399 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.823 -14.963 1.939 1.00 0.00 H new ATOM 0 HG SER A 28 -5.411 -16.640 1.696 1.00 0.00 H new ATOM 375 N VAL A 29 -3.282 -12.187 2.570 1.00 0.00 N ATOM 376 CA VAL A 29 -2.682 -10.950 2.097 1.00 0.00 C ATOM 377 C VAL A 29 -2.524 -11.015 0.577 1.00 0.00 C ATOM 378 O VAL A 29 -1.714 -11.787 0.065 1.00 0.00 O ATOM 379 CB VAL A 29 -1.360 -10.697 2.826 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.696 -9.414 2.325 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.570 -10.652 4.341 1.00 0.00 C ATOM 0 H VAL A 29 -2.614 -12.904 2.852 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.328 -10.101 2.321 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.690 -11.528 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.241 -9.257 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.495 -9.501 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.360 -8.568 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.616 -10.471 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.265 -9.849 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.980 -11.604 4.680 1.00 0.00 H new ATOM 391 N VAL A 30 -3.310 -10.194 -0.103 1.00 0.00 N ATOM 392 CA VAL A 30 -3.267 -10.148 -1.555 1.00 0.00 C ATOM 393 C VAL A 30 -2.327 -9.024 -1.998 1.00 0.00 C ATOM 394 O VAL A 30 -2.114 -8.062 -1.262 1.00 0.00 O ATOM 395 CB VAL A 30 -4.684 -9.997 -2.116 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.429 -11.333 -2.087 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.461 -8.918 -1.359 1.00 0.00 C ATOM 0 H VAL A 30 -3.981 -9.555 0.324 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.870 -11.081 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.602 -9.682 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.433 -11.199 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.890 -12.063 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.496 -11.690 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.464 -8.831 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.529 -9.190 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.944 -7.963 -1.454 1.00 0.00 H new ATOM 407 N PRO A 31 -1.775 -9.190 -3.230 1.00 0.00 N ATOM 408 CA PRO A 31 -0.862 -8.202 -3.779 1.00 0.00 C ATOM 409 C PRO A 31 -1.618 -6.957 -4.247 1.00 0.00 C ATOM 410 O PRO A 31 -2.847 -6.931 -4.234 1.00 0.00 O ATOM 411 CB PRO A 31 -0.140 -8.918 -4.909 1.00 0.00 C ATOM 412 CG PRO A 31 -0.997 -10.125 -5.252 1.00 0.00 C ATOM 413 CD PRO A 31 -2.003 -10.317 -4.128 1.00 0.00 C ATOM 0 HA PRO A 31 -0.150 -7.831 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.022 -8.264 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.860 -9.224 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.510 -9.972 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.377 -11.014 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.025 -10.320 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.849 -11.268 -3.617 1.00 0.00 H new ATOM 418 N LEU A 32 -0.851 -5.955 -4.649 1.00 0.00 N ATOM 419 CA LEU A 32 -1.433 -4.710 -5.121 1.00 0.00 C ATOM 420 C LEU A 32 -1.068 -4.505 -6.593 1.00 0.00 C ATOM 421 O LEU A 32 0.047 -4.091 -6.908 1.00 0.00 O ATOM 422 CB LEU A 32 -1.017 -3.547 -4.218 1.00 0.00 C ATOM 423 CG LEU A 32 -1.275 -2.143 -4.768 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.640 -2.067 -5.456 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.128 -1.088 -3.670 1.00 0.00 C ATOM 0 H LEU A 32 0.169 -5.980 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.521 -4.755 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.542 -3.645 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.048 -3.642 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.520 -1.928 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.799 -1.059 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.671 -2.777 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.423 -2.311 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.317 -0.099 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.846 -1.289 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.117 -1.124 -3.264 1.00 0.00 H new ATOM 436 N PRO A 33 -2.054 -4.815 -7.478 1.00 0.00 N ATOM 437 CA PRO A 33 -1.847 -4.670 -8.909 1.00 0.00 C ATOM 438 C PRO A 33 -1.890 -3.198 -9.322 1.00 0.00 C ATOM 439 O PRO A 33 -2.886 -2.734 -9.877 1.00 0.00 O ATOM 440 CB PRO A 33 -2.947 -5.500 -9.550 1.00 0.00 C ATOM 441 CG PRO A 33 -4.002 -5.698 -8.474 1.00 0.00 C ATOM 442 CD PRO A 33 -3.386 -5.309 -7.140 1.00 0.00 C ATOM 0 HA PRO A 33 -0.865 -5.017 -9.231 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.365 -4.990 -10.418 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.561 -6.458 -9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.879 -5.086 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.335 -6.736 -8.452 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.977 -4.543 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.332 -6.163 -6.464 1.00 0.00 H new ATOM 447 N TYR A 34 -0.797 -2.505 -9.038 1.00 0.00 N ATOM 448 CA TYR A 34 -0.697 -1.094 -9.374 1.00 0.00 C ATOM 449 C TYR A 34 -1.052 -0.853 -10.842 1.00 0.00 C ATOM 450 O TYR A 34 -1.932 -0.050 -11.148 1.00 0.00 O ATOM 451 CB TYR A 34 0.765 -0.709 -9.145 1.00 0.00 C ATOM 452 CG TYR A 34 1.242 -0.900 -7.704 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.018 0.087 -6.766 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.896 -2.060 -7.342 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.466 -0.093 -5.410 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.345 -2.240 -5.986 1.00 0.00 C ATOM 457 CZ TYR A 34 2.107 -1.248 -5.086 1.00 0.00 C ATOM 458 OH TYR A 34 2.530 -1.419 -3.805 1.00 0.00 O ATOM 0 H TYR A 34 0.027 -2.894 -8.579 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.384 -0.505 -8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.394 -1.304 -9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.903 0.335 -9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.506 0.995 -7.049 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.071 -2.833 -8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.297 0.672 -4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.859 -3.142 -5.690 1.00 0.00 H new ATOM 0 HH TYR A 34 2.830 -0.560 -3.442 1.00 0.00 H new ATOM 467 N GLU A 35 -0.350 -1.565 -11.711 1.00 0.00 N ATOM 468 CA GLU A 35 -0.580 -1.439 -13.141 1.00 0.00 C ATOM 469 C GLU A 35 -2.076 -1.287 -13.426 1.00 0.00 C ATOM 470 O GLU A 35 -2.463 -0.641 -14.400 1.00 0.00 O ATOM 471 CB GLU A 35 0.004 -2.634 -13.897 1.00 0.00 C ATOM 472 CG GLU A 35 -0.746 -3.922 -13.551 1.00 0.00 C ATOM 473 CD GLU A 35 -0.124 -5.127 -14.260 1.00 0.00 C ATOM 474 OE1 GLU A 35 1.111 -5.278 -14.145 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.899 -5.869 -14.902 1.00 0.00 O ATOM 0 H GLU A 35 0.378 -2.231 -11.453 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.070 -0.543 -13.495 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.053 -2.453 -14.970 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.059 -2.746 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.726 -4.080 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.793 -3.826 -13.840 1.00 0.00 H new ATOM 480 N ARG A 36 -2.875 -1.892 -12.561 1.00 0.00 N ATOM 481 CA ARG A 36 -4.320 -1.831 -12.708 1.00 0.00 C ATOM 482 C ARG A 36 -4.888 -0.663 -11.900 1.00 0.00 C ATOM 483 O ARG A 36 -5.398 0.301 -12.470 1.00 0.00 O ATOM 484 CB ARG A 36 -4.976 -3.131 -12.240 1.00 0.00 C ATOM 485 CG ARG A 36 -5.224 -4.076 -13.418 1.00 0.00 C ATOM 486 CD ARG A 36 -6.557 -3.763 -14.100 1.00 0.00 C ATOM 487 NE ARG A 36 -7.198 -5.015 -14.558 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.786 -5.901 -13.741 1.00 0.00 C ATOM 489 NH1 ARG A 36 -7.817 -5.676 -12.421 1.00 0.00 N ATOM 490 NH2 ARG A 36 -8.342 -7.011 -14.245 1.00 0.00 N ATOM 0 H ARG A 36 -2.550 -2.427 -11.756 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.539 -1.686 -13.766 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.337 -3.621 -11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.920 -2.908 -11.743 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.412 -3.985 -14.139 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.224 -5.108 -13.067 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.216 -3.240 -13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.394 -3.097 -14.948 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.192 -5.217 -15.558 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.393 -4.831 -12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.264 -6.350 -11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.318 -7.182 -15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.789 -7.685 -13.623 1.00 0.00 H new ATOM 501 N LEU A 37 -4.778 -0.786 -10.586 1.00 0.00 N ATOM 502 CA LEU A 37 -5.274 0.249 -9.693 1.00 0.00 C ATOM 503 C LEU A 37 -4.870 1.621 -10.236 1.00 0.00 C ATOM 504 O LEU A 37 -5.644 2.575 -10.161 1.00 0.00 O ATOM 505 CB LEU A 37 -4.803 -0.008 -8.260 1.00 0.00 C ATOM 506 CG LEU A 37 -5.070 -1.410 -7.708 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.248 -1.375 -6.188 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.265 -2.057 -8.410 1.00 0.00 C ATOM 0 H LEU A 37 -4.353 -1.586 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.363 0.229 -9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.731 0.182 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.285 0.717 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.199 -2.031 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.437 -2.384 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.343 -0.983 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.092 -0.733 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.433 -3.052 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.154 -1.445 -8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.061 -2.135 -9.478 1.00 0.00 H new ATOM 519 N LEU A 38 -3.660 1.677 -10.772 1.00 0.00 N ATOM 520 CA LEU A 38 -3.144 2.917 -11.327 1.00 0.00 C ATOM 521 C LEU A 38 -4.083 3.405 -12.431 1.00 0.00 C ATOM 522 O LEU A 38 -4.417 4.588 -12.489 1.00 0.00 O ATOM 523 CB LEU A 38 -1.696 2.736 -11.788 1.00 0.00 C ATOM 524 CG LEU A 38 -0.670 2.468 -10.684 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.651 1.971 -11.273 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.477 3.704 -9.803 1.00 0.00 C ATOM 0 H LEU A 38 -3.022 0.884 -10.834 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.117 3.694 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.662 1.909 -12.497 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.393 3.632 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.056 1.674 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.362 1.788 -10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.479 1.045 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.054 2.725 -11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.257 3.487 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.124 4.535 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.426 3.972 -9.340 1.00 0.00 H new ATOM 537 N ARG A 39 -4.483 2.471 -13.281 1.00 0.00 N ATOM 538 CA ARG A 39 -5.378 2.792 -14.380 1.00 0.00 C ATOM 539 C ARG A 39 -6.626 3.506 -13.857 1.00 0.00 C ATOM 540 O ARG A 39 -7.066 4.497 -14.438 1.00 0.00 O ATOM 541 CB ARG A 39 -5.800 1.528 -15.133 1.00 0.00 C ATOM 542 CG ARG A 39 -6.800 1.860 -16.243 1.00 0.00 C ATOM 543 CD ARG A 39 -6.871 0.730 -17.272 1.00 0.00 C ATOM 544 NE ARG A 39 -7.694 1.150 -18.428 1.00 0.00 N ATOM 545 CZ ARG A 39 -7.802 0.451 -19.566 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.141 -0.706 -19.708 1.00 0.00 N ATOM 547 NH2 ARG A 39 -8.572 0.908 -20.563 1.00 0.00 N ATOM 0 H ARG A 39 -4.204 1.491 -13.231 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.841 3.448 -15.065 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.922 1.046 -15.562 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.246 0.817 -14.437 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.787 2.026 -15.811 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.508 2.787 -16.735 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.867 0.467 -17.606 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.299 -0.163 -16.815 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.211 2.026 -18.354 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.555 -1.055 -18.949 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.224 -1.238 -20.575 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.076 1.788 -20.456 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.654 0.376 -21.429 1.00 0.00 H new ATOM 558 N GLU A 40 -7.159 2.976 -12.767 1.00 0.00 N ATOM 559 CA GLU A 40 -8.348 3.552 -12.160 1.00 0.00 C ATOM 560 C GLU A 40 -8.043 4.019 -10.735 1.00 0.00 C ATOM 561 O GLU A 40 -7.949 3.206 -9.817 1.00 0.00 O ATOM 562 CB GLU A 40 -9.508 2.554 -12.172 1.00 0.00 C ATOM 563 CG GLU A 40 -8.992 1.112 -12.182 1.00 0.00 C ATOM 564 CD GLU A 40 -10.145 0.119 -12.332 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.258 0.468 -11.882 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.888 -0.968 -12.894 1.00 0.00 O ATOM 0 H GLU A 40 -6.790 2.154 -12.288 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.650 4.418 -12.749 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.138 2.713 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.132 2.727 -13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.285 0.981 -13.001 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.450 0.909 -11.258 1.00 0.00 H new ATOM 571 N PRO A 41 -7.894 5.363 -10.591 1.00 0.00 N ATOM 572 CA PRO A 41 -7.601 5.949 -9.295 1.00 0.00 C ATOM 573 C PRO A 41 -8.845 5.958 -8.404 1.00 0.00 C ATOM 574 O PRO A 41 -8.737 6.042 -7.181 1.00 0.00 O ATOM 575 CB PRO A 41 -7.081 7.344 -9.601 1.00 0.00 C ATOM 576 CG PRO A 41 -7.536 7.657 -11.017 1.00 0.00 C ATOM 577 CD PRO A 41 -7.999 6.357 -11.655 1.00 0.00 C ATOM 0 HA PRO A 41 -6.862 5.378 -8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.477 8.072 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.994 7.382 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.346 8.386 -11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.720 8.095 -11.592 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.022 6.438 -12.021 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.375 6.091 -12.508 1.00 0.00 H new ATOM 582 N GLY A 42 -9.997 5.867 -9.050 1.00 0.00 N ATOM 583 CA GLY A 42 -11.261 5.863 -8.332 1.00 0.00 C ATOM 584 C GLY A 42 -11.522 4.499 -7.691 1.00 0.00 C ATOM 585 O GLY A 42 -12.131 4.415 -6.626 1.00 0.00 O ATOM 0 H GLY A 42 -10.083 5.795 -10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.249 6.634 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.073 6.109 -9.016 1.00 0.00 H new ATOM 589 N LEU A 43 -11.051 3.462 -8.369 1.00 0.00 N ATOM 590 CA LEU A 43 -11.226 2.105 -7.881 1.00 0.00 C ATOM 591 C LEU A 43 -10.594 1.982 -6.492 1.00 0.00 C ATOM 592 O LEU A 43 -11.169 1.364 -5.598 1.00 0.00 O ATOM 593 CB LEU A 43 -10.685 1.096 -8.894 1.00 0.00 C ATOM 594 CG LEU A 43 -11.129 -0.355 -8.699 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.562 -0.561 -9.194 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.148 -1.323 -9.363 1.00 0.00 C ATOM 0 H LEU A 43 -10.548 3.535 -9.253 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.286 1.874 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.986 1.416 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.596 1.129 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.123 -0.573 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.853 -1.601 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.237 0.089 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.619 -0.318 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.487 -2.347 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.098 -1.114 -10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.159 -1.198 -8.922 1.00 0.00 H new ATOM 607 N LEU A 44 -9.419 2.580 -6.357 1.00 0.00 N ATOM 608 CA LEU A 44 -8.703 2.546 -5.094 1.00 0.00 C ATOM 609 C LEU A 44 -7.759 3.746 -5.014 1.00 0.00 C ATOM 610 O LEU A 44 -6.808 3.845 -5.788 1.00 0.00 O ATOM 611 CB LEU A 44 -8.002 1.198 -4.912 1.00 0.00 C ATOM 612 CG LEU A 44 -6.945 1.136 -3.809 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.456 1.785 -2.521 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.476 -0.303 -3.578 1.00 0.00 C ATOM 0 H LEU A 44 -8.945 3.091 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.399 2.633 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.759 0.442 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.530 0.926 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.078 1.709 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.684 1.727 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.700 2.830 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.348 1.261 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.725 -0.318 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.325 -0.919 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.044 -0.697 -4.498 1.00 0.00 H new ATOM 625 N ALA A 45 -8.054 4.630 -4.072 1.00 0.00 N ATOM 626 CA ALA A 45 -7.242 5.821 -3.881 1.00 0.00 C ATOM 627 C ALA A 45 -6.428 5.678 -2.593 1.00 0.00 C ATOM 628 O ALA A 45 -6.981 5.377 -1.536 1.00 0.00 O ATOM 629 CB ALA A 45 -8.144 7.055 -3.867 1.00 0.00 C ATOM 0 H ALA A 45 -8.844 4.546 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.537 5.941 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.536 7.948 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.677 7.127 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.863 6.971 -3.052 1.00 0.00 H new ATOM 635 N VAL A 46 -5.129 5.899 -2.724 1.00 0.00 N ATOM 636 CA VAL A 46 -4.234 5.799 -1.584 1.00 0.00 C ATOM 637 C VAL A 46 -4.125 7.167 -0.905 1.00 0.00 C ATOM 638 O VAL A 46 -3.693 8.137 -1.524 1.00 0.00 O ATOM 639 CB VAL A 46 -2.881 5.243 -2.029 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.892 5.206 -0.861 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.037 3.856 -2.658 1.00 0.00 C ATOM 0 H VAL A 46 -4.674 6.147 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.631 5.101 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.478 5.913 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.938 4.806 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.745 6.215 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.288 4.570 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.060 3.484 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.472 3.173 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.690 3.922 -3.528 1.00 0.00 H new ATOM 651 N GLN A 47 -4.525 7.198 0.358 1.00 0.00 N ATOM 652 CA GLN A 47 -4.476 8.430 1.127 1.00 0.00 C ATOM 653 C GLN A 47 -3.474 8.300 2.276 1.00 0.00 C ATOM 654 O GLN A 47 -3.090 7.191 2.646 1.00 0.00 O ATOM 655 CB GLN A 47 -5.865 8.803 1.650 1.00 0.00 C ATOM 656 CG GLN A 47 -6.608 9.690 0.649 1.00 0.00 C ATOM 657 CD GLN A 47 -6.178 11.152 0.787 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.008 11.490 0.733 1.00 0.00 O ATOM 659 NE2 GLN A 47 -7.189 11.998 0.968 1.00 0.00 N ATOM 0 H GLN A 47 -4.884 6.391 0.867 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.142 9.233 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.442 7.898 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.771 9.324 2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.411 9.344 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.683 9.606 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.147 11.648 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.006 12.996 1.071 1.00 0.00 H new ATOM 666 N GLY A 48 -3.079 9.448 2.806 1.00 0.00 N ATOM 667 CA GLY A 48 -2.128 9.476 3.905 1.00 0.00 C ATOM 668 C GLY A 48 -0.746 9.010 3.446 1.00 0.00 C ATOM 669 O GLY A 48 0.003 8.417 4.222 1.00 0.00 O ATOM 0 H GLY A 48 -3.400 10.365 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.060 10.487 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.482 8.836 4.713 1.00 0.00 H new ATOM 673 N LEU A 49 -0.448 9.294 2.187 1.00 0.00 N ATOM 674 CA LEU A 49 0.832 8.912 1.615 1.00 0.00 C ATOM 675 C LEU A 49 1.931 9.804 2.195 1.00 0.00 C ATOM 676 O LEU A 49 1.645 10.843 2.788 1.00 0.00 O ATOM 677 CB LEU A 49 0.765 8.933 0.087 1.00 0.00 C ATOM 678 CG LEU A 49 0.319 7.632 -0.583 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.395 7.913 -1.907 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.500 6.675 -0.761 1.00 0.00 C ATOM 0 H LEU A 49 -1.072 9.785 1.546 1.00 0.00 H new ATOM 0 HA LEU A 49 1.078 7.885 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.082 9.727 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.751 9.196 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.400 7.140 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.701 6.971 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.275 8.530 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.282 8.438 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.156 5.758 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.260 7.147 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.926 6.438 0.214 1.00 0.00 H new ATOM 691 N PRO A 50 3.200 9.354 1.997 1.00 0.00 N ATOM 692 CA PRO A 50 4.344 10.101 2.493 1.00 0.00 C ATOM 693 C PRO A 50 4.610 11.335 1.629 1.00 0.00 C ATOM 694 O PRO A 50 5.103 11.218 0.508 1.00 0.00 O ATOM 695 CB PRO A 50 5.496 9.108 2.482 1.00 0.00 C ATOM 696 CG PRO A 50 5.070 7.986 1.549 1.00 0.00 C ATOM 697 CD PRO A 50 3.577 8.129 1.299 1.00 0.00 C ATOM 0 HA PRO A 50 4.186 10.497 3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.415 9.579 2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.694 8.728 3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.621 8.040 0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.291 7.015 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.359 8.197 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.027 7.270 1.682 1.00 0.00 H new ATOM 702 N GLU A 51 4.271 12.489 2.183 1.00 0.00 N ATOM 703 CA GLU A 51 4.467 13.744 1.478 1.00 0.00 C ATOM 704 C GLU A 51 5.711 13.665 0.590 1.00 0.00 C ATOM 705 O GLU A 51 6.696 13.022 0.951 1.00 0.00 O ATOM 706 CB GLU A 51 4.567 14.915 2.458 1.00 0.00 C ATOM 707 CG GLU A 51 3.193 15.268 3.031 1.00 0.00 C ATOM 708 CD GLU A 51 3.329 16.083 4.319 1.00 0.00 C ATOM 709 OE1 GLU A 51 4.233 16.946 4.352 1.00 0.00 O ATOM 710 OE2 GLU A 51 2.528 15.823 5.243 1.00 0.00 O ATOM 0 H GLU A 51 3.862 12.582 3.113 1.00 0.00 H new ATOM 0 HA GLU A 51 3.600 13.919 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.248 14.658 3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.988 15.783 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.623 15.836 2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.633 14.355 3.232 1.00 0.00 H new ATOM 715 N GLY A 52 5.626 14.328 -0.555 1.00 0.00 N ATOM 716 CA GLY A 52 6.732 14.341 -1.496 1.00 0.00 C ATOM 717 C GLY A 52 6.894 12.977 -2.169 1.00 0.00 C ATOM 718 O GLY A 52 7.994 12.426 -2.206 1.00 0.00 O ATOM 0 H GLY A 52 4.808 14.860 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.561 15.106 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.653 14.606 -0.977 1.00 0.00 H new ATOM 722 N LEU A 53 5.784 12.469 -2.683 1.00 0.00 N ATOM 723 CA LEU A 53 5.789 11.180 -3.352 1.00 0.00 C ATOM 724 C LEU A 53 4.547 11.064 -4.238 1.00 0.00 C ATOM 725 O LEU A 53 3.835 12.045 -4.447 1.00 0.00 O ATOM 726 CB LEU A 53 5.926 10.047 -2.333 1.00 0.00 C ATOM 727 CG LEU A 53 7.354 9.596 -2.019 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.352 8.336 -1.151 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.163 9.406 -3.303 1.00 0.00 C ATOM 0 H LEU A 53 4.874 12.928 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 53 6.656 11.095 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.453 10.362 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.367 9.186 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 53 7.843 10.383 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.379 8.036 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.836 8.541 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.839 7.532 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.174 9.085 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.686 8.648 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.206 10.349 -3.849 1.00 0.00 H new ATOM 740 N ALA A 54 4.324 9.856 -4.735 1.00 0.00 N ATOM 741 CA ALA A 54 3.180 9.598 -5.593 1.00 0.00 C ATOM 742 C ALA A 54 2.841 8.107 -5.550 1.00 0.00 C ATOM 743 O ALA A 54 3.736 7.263 -5.562 1.00 0.00 O ATOM 744 CB ALA A 54 3.485 10.087 -7.011 1.00 0.00 C ATOM 0 H ALA A 54 4.917 9.045 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 54 2.305 10.144 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.627 9.894 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.689 11.157 -6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.356 9.559 -7.399 1.00 0.00 H new ATOM 750 N PHE A 55 1.547 7.828 -5.501 1.00 0.00 N ATOM 751 CA PHE A 55 1.078 6.454 -5.457 1.00 0.00 C ATOM 752 C PHE A 55 1.583 5.664 -6.665 1.00 0.00 C ATOM 753 O PHE A 55 1.122 5.874 -7.786 1.00 0.00 O ATOM 754 CB PHE A 55 -0.451 6.501 -5.495 1.00 0.00 C ATOM 755 CG PHE A 55 -1.109 5.145 -5.757 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.733 4.056 -5.033 1.00 0.00 C ATOM 757 CD2 PHE A 55 -2.068 5.028 -6.713 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.344 2.797 -5.277 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.678 3.769 -6.958 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.303 2.681 -6.235 1.00 0.00 C ATOM 0 H PHE A 55 0.808 8.531 -5.491 1.00 0.00 H new ATOM 0 HA PHE A 55 1.447 5.964 -4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.816 6.893 -4.546 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.764 7.201 -6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.029 4.149 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.366 5.893 -7.287 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.047 1.932 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.439 3.676 -7.718 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.767 1.724 -6.421 1.00 0.00 H new ATOM 769 N ARG A 56 2.523 4.770 -6.397 1.00 0.00 N ATOM 770 CA ARG A 56 3.095 3.947 -7.449 1.00 0.00 C ATOM 771 C ARG A 56 3.842 2.757 -6.845 1.00 0.00 C ATOM 772 O ARG A 56 4.123 2.738 -5.648 1.00 0.00 O ATOM 773 CB ARG A 56 4.058 4.756 -8.320 1.00 0.00 C ATOM 774 CG ARG A 56 4.825 5.781 -7.482 1.00 0.00 C ATOM 775 CD ARG A 56 6.296 5.841 -7.899 1.00 0.00 C ATOM 776 NE ARG A 56 6.403 6.261 -9.314 1.00 0.00 N ATOM 777 CZ ARG A 56 6.395 7.539 -9.721 1.00 0.00 C ATOM 778 NH1 ARG A 56 6.284 8.527 -8.823 1.00 0.00 N ATOM 779 NH2 ARG A 56 6.497 7.827 -11.026 1.00 0.00 N ATOM 0 H ARG A 56 2.903 4.597 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 56 2.275 3.588 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.761 4.084 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.502 5.267 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.370 6.765 -7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.753 5.520 -6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.835 6.541 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.761 4.864 -7.765 1.00 0.00 H new ATOM 0 HE ARG A 56 6.488 5.533 -10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.206 8.307 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.278 9.499 -9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.581 7.074 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.491 8.799 -11.336 1.00 0.00 H new ATOM 790 N ARG A 57 4.143 1.791 -7.701 1.00 0.00 N ATOM 791 CA ARG A 57 4.853 0.600 -7.266 1.00 0.00 C ATOM 792 C ARG A 57 5.895 0.959 -6.205 1.00 0.00 C ATOM 793 O ARG A 57 6.390 2.085 -6.174 1.00 0.00 O ATOM 794 CB ARG A 57 5.549 -0.087 -8.443 1.00 0.00 C ATOM 795 CG ARG A 57 4.896 -1.435 -8.756 1.00 0.00 C ATOM 796 CD ARG A 57 5.029 -1.777 -10.241 1.00 0.00 C ATOM 797 NE ARG A 57 4.445 -3.111 -10.507 1.00 0.00 N ATOM 798 CZ ARG A 57 4.273 -3.624 -11.733 1.00 0.00 C ATOM 799 NH1 ARG A 57 4.641 -2.920 -12.812 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.735 -4.843 -11.880 1.00 0.00 N ATOM 0 H ARG A 57 3.908 1.809 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 57 4.120 -0.086 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.504 0.556 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.604 -0.235 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.362 -2.217 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.842 -1.406 -8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.523 -1.023 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.079 -1.766 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 57 4.156 -3.675 -9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.052 -1.993 -12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.510 -3.311 -13.745 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.457 -5.380 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.604 -5.234 -12.813 1.00 0.00 H new ATOM 811 N PRO A 58 6.204 -0.043 -5.340 1.00 0.00 N ATOM 812 CA PRO A 58 7.179 0.157 -4.281 1.00 0.00 C ATOM 813 C PRO A 58 8.604 0.162 -4.840 1.00 0.00 C ATOM 814 O PRO A 58 9.528 0.645 -4.188 1.00 0.00 O ATOM 815 CB PRO A 58 6.931 -0.975 -3.298 1.00 0.00 C ATOM 816 CG PRO A 58 6.146 -2.028 -4.065 1.00 0.00 C ATOM 817 CD PRO A 58 5.638 -1.389 -5.348 1.00 0.00 C ATOM 0 HA PRO A 58 7.072 1.124 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.871 -1.382 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.371 -0.624 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.779 -2.886 -4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.313 -2.395 -3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.962 -1.950 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.549 -1.361 -5.372 1.00 0.00 H new ATOM 822 N ALA A 59 8.735 -0.382 -6.041 1.00 0.00 N ATOM 823 CA ALA A 59 10.032 -0.446 -6.695 1.00 0.00 C ATOM 824 C ALA A 59 10.300 0.876 -7.417 1.00 0.00 C ATOM 825 O ALA A 59 11.435 1.346 -7.457 1.00 0.00 O ATOM 826 CB ALA A 59 10.065 -1.646 -7.643 1.00 0.00 C ATOM 0 H ALA A 59 7.966 -0.782 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 59 10.826 -0.587 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.037 -1.695 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.898 -2.562 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.284 -1.537 -8.395 1.00 0.00 H new ATOM 832 N GLU A 60 9.235 1.437 -7.972 1.00 0.00 N ATOM 833 CA GLU A 60 9.341 2.694 -8.691 1.00 0.00 C ATOM 834 C GLU A 60 9.704 3.827 -7.729 1.00 0.00 C ATOM 835 O GLU A 60 10.076 4.918 -8.159 1.00 0.00 O ATOM 836 CB GLU A 60 8.045 3.009 -9.441 1.00 0.00 C ATOM 837 CG GLU A 60 7.829 2.028 -10.597 1.00 0.00 C ATOM 838 CD GLU A 60 7.696 2.771 -11.928 1.00 0.00 C ATOM 839 OE1 GLU A 60 8.751 3.008 -12.554 1.00 0.00 O ATOM 840 OE2 GLU A 60 6.541 3.083 -12.289 1.00 0.00 O ATOM 0 H GLU A 60 8.295 1.043 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 60 10.137 2.600 -9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.201 2.958 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.082 4.028 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.665 1.330 -10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.931 1.437 -10.415 1.00 0.00 H new ATOM 845 N TYR A 61 9.586 3.530 -6.443 1.00 0.00 N ATOM 846 CA TYR A 61 9.898 4.509 -5.416 1.00 0.00 C ATOM 847 C TYR A 61 11.402 4.555 -5.140 1.00 0.00 C ATOM 848 O TYR A 61 12.133 3.638 -5.511 1.00 0.00 O ATOM 849 CB TYR A 61 9.174 4.040 -4.152 1.00 0.00 C ATOM 850 CG TYR A 61 7.820 4.714 -3.924 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.672 6.064 -4.163 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.746 3.971 -3.477 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.398 6.700 -3.948 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.471 4.605 -3.262 1.00 0.00 C ATOM 855 CZ TYR A 61 5.360 5.938 -3.508 1.00 0.00 C ATOM 856 OH TYR A 61 4.156 6.537 -3.305 1.00 0.00 O ATOM 0 H TYR A 61 9.278 2.624 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 61 9.588 5.506 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.026 2.962 -4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.812 4.229 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.513 6.645 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.862 2.914 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.269 7.756 -4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.622 4.035 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 61 3.599 6.432 -4.105 1.00 0.00 H new ATOM 865 N ASP A 62 11.820 5.633 -4.494 1.00 0.00 N ATOM 866 CA ASP A 62 13.223 5.811 -4.164 1.00 0.00 C ATOM 867 C ASP A 62 13.540 5.055 -2.872 1.00 0.00 C ATOM 868 O ASP A 62 12.669 4.399 -2.303 1.00 0.00 O ATOM 869 CB ASP A 62 13.554 7.288 -3.941 1.00 0.00 C ATOM 870 CG ASP A 62 12.468 8.268 -4.387 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.574 8.541 -3.557 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.556 8.724 -5.548 1.00 0.00 O ATOM 0 H ASP A 62 11.211 6.393 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 62 13.815 5.431 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.750 7.445 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.475 7.523 -4.474 1.00 0.00 H new ATOM 876 N PRO A 63 14.823 5.173 -2.437 1.00 0.00 N ATOM 877 CA PRO A 63 15.266 4.508 -1.223 1.00 0.00 C ATOM 878 C PRO A 63 14.740 5.230 0.019 1.00 0.00 C ATOM 879 O PRO A 63 14.243 4.593 0.947 1.00 0.00 O ATOM 880 CB PRO A 63 16.783 4.502 -1.309 1.00 0.00 C ATOM 881 CG PRO A 63 17.148 5.566 -2.330 1.00 0.00 C ATOM 882 CD PRO A 63 15.883 5.940 -3.085 1.00 0.00 C ATOM 0 HA PRO A 63 14.882 3.492 -1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.230 4.722 -0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.153 3.524 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.570 6.441 -1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.906 5.191 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.689 7.011 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.964 5.688 -4.142 1.00 0.00 H new ATOM 887 N LYS A 64 14.868 6.548 -0.002 1.00 0.00 N ATOM 888 CA LYS A 64 14.412 7.363 1.111 1.00 0.00 C ATOM 889 C LYS A 64 12.882 7.366 1.142 1.00 0.00 C ATOM 890 O LYS A 64 12.279 7.656 2.174 1.00 0.00 O ATOM 891 CB LYS A 64 15.029 8.760 1.040 1.00 0.00 C ATOM 892 CG LYS A 64 16.418 8.780 1.681 1.00 0.00 C ATOM 893 CD LYS A 64 17.484 8.300 0.694 1.00 0.00 C ATOM 894 CE LYS A 64 18.877 8.763 1.122 1.00 0.00 C ATOM 895 NZ LYS A 64 19.703 9.088 -0.063 1.00 0.00 N ATOM 0 H LYS A 64 15.281 7.072 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 64 14.749 6.939 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.100 9.077 -0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.380 9.474 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.654 9.791 2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.423 8.143 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.462 7.212 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.260 8.682 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.794 9.639 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.362 7.982 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.646 9.401 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.798 8.243 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.247 9.849 -0.606 1.00 0.00 H new ATOM 905 N ALA A 65 12.298 7.043 -0.002 1.00 0.00 N ATOM 906 CA ALA A 65 10.850 7.005 -0.119 1.00 0.00 C ATOM 907 C ALA A 65 10.309 5.815 0.675 1.00 0.00 C ATOM 908 O ALA A 65 9.464 5.984 1.554 1.00 0.00 O ATOM 909 CB ALA A 65 10.459 6.944 -1.597 1.00 0.00 C ATOM 0 H ALA A 65 12.801 6.805 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 65 10.408 7.909 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.373 6.915 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.842 7.826 -2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.883 6.047 -2.049 1.00 0.00 H new ATOM 915 N LEU A 66 10.819 4.640 0.341 1.00 0.00 N ATOM 916 CA LEU A 66 10.397 3.422 1.012 1.00 0.00 C ATOM 917 C LEU A 66 10.495 3.620 2.527 1.00 0.00 C ATOM 918 O LEU A 66 9.609 3.200 3.269 1.00 0.00 O ATOM 919 CB LEU A 66 11.194 2.222 0.497 1.00 0.00 C ATOM 920 CG LEU A 66 11.107 1.955 -1.007 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.145 0.918 -1.441 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.688 1.549 -1.411 1.00 0.00 C ATOM 0 H LEU A 66 11.521 4.505 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 66 9.354 3.204 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.242 2.367 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.853 1.331 1.024 1.00 0.00 H new ATOM 0 HG LEU A 66 11.339 2.882 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.062 0.747 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.145 1.285 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.969 -0.017 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.654 1.365 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.404 0.642 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.994 2.351 -1.158 1.00 0.00 H new ATOM 933 N MET A 67 11.579 4.261 2.938 1.00 0.00 N ATOM 934 CA MET A 67 11.803 4.520 4.351 1.00 0.00 C ATOM 935 C MET A 67 10.790 5.532 4.891 1.00 0.00 C ATOM 936 O MET A 67 10.445 5.501 6.070 1.00 0.00 O ATOM 937 CB MET A 67 13.221 5.060 4.552 1.00 0.00 C ATOM 938 CG MET A 67 14.224 3.918 4.722 1.00 0.00 C ATOM 939 SD MET A 67 15.887 4.565 4.754 1.00 0.00 S ATOM 940 CE MET A 67 16.269 4.526 3.011 1.00 0.00 C ATOM 0 H MET A 67 12.311 4.609 2.319 1.00 0.00 H new ATOM 0 HA MET A 67 11.679 3.585 4.897 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.505 5.674 3.697 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.247 5.705 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.018 3.377 5.645 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.118 3.205 3.904 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.165 3.926 2.848 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.434 4.087 2.465 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.442 5.541 2.654 1.00 0.00 H new ATOM 948 N ALA A 68 10.342 6.405 4.000 1.00 0.00 N ATOM 949 CA ALA A 68 9.375 7.424 4.372 1.00 0.00 C ATOM 950 C ALA A 68 7.973 6.812 4.380 1.00 0.00 C ATOM 951 O ALA A 68 7.077 7.313 5.057 1.00 0.00 O ATOM 952 CB ALA A 68 9.490 8.611 3.413 1.00 0.00 C ATOM 0 H ALA A 68 10.631 6.428 3.022 1.00 0.00 H new ATOM 0 HA ALA A 68 9.576 7.797 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.765 9.376 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.496 9.027 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.291 8.277 2.395 1.00 0.00 H new ATOM 958 N ILE A 69 7.827 5.738 3.617 1.00 0.00 N ATOM 959 CA ILE A 69 6.549 5.053 3.526 1.00 0.00 C ATOM 960 C ILE A 69 6.348 4.192 4.775 1.00 0.00 C ATOM 961 O ILE A 69 5.248 4.135 5.324 1.00 0.00 O ATOM 962 CB ILE A 69 6.453 4.270 2.216 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.563 5.203 1.009 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.176 3.426 2.174 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.244 4.501 -0.166 1.00 0.00 C ATOM 0 H ILE A 69 8.573 5.326 3.056 1.00 0.00 H new ATOM 0 HA ILE A 69 5.731 5.773 3.500 1.00 0.00 H new ATOM 0 HB ILE A 69 7.297 3.581 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.569 5.537 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.129 6.093 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.132 2.879 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.179 2.719 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.306 4.078 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.309 5.186 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.247 4.190 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.662 3.625 -0.453 1.00 0.00 H new ATOM 976 N LEU A 70 7.426 3.542 5.187 1.00 0.00 N ATOM 977 CA LEU A 70 7.382 2.686 6.359 1.00 0.00 C ATOM 978 C LEU A 70 7.205 3.551 7.610 1.00 0.00 C ATOM 979 O LEU A 70 6.720 3.074 8.635 1.00 0.00 O ATOM 980 CB LEU A 70 8.615 1.780 6.408 1.00 0.00 C ATOM 981 CG LEU A 70 8.913 0.985 5.135 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.418 0.764 4.967 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.134 -0.332 5.116 1.00 0.00 C ATOM 0 H LEU A 70 8.336 3.591 4.729 1.00 0.00 H new ATOM 0 HA LEU A 70 6.524 2.016 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.484 2.395 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.492 1.077 7.232 1.00 0.00 H new ATOM 0 HG LEU A 70 8.576 1.570 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.603 0.197 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.922 1.728 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.802 0.210 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.364 -0.878 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.417 -0.935 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.065 -0.123 5.155 1.00 0.00 H new ATOM 994 N GLU A 71 7.608 4.806 7.484 1.00 0.00 N ATOM 995 CA GLU A 71 7.499 5.741 8.591 1.00 0.00 C ATOM 996 C GLU A 71 6.130 6.425 8.576 1.00 0.00 C ATOM 997 O GLU A 71 5.530 6.643 9.627 1.00 0.00 O ATOM 998 CB GLU A 71 8.628 6.773 8.550 1.00 0.00 C ATOM 999 CG GLU A 71 9.897 6.223 9.205 1.00 0.00 C ATOM 1000 CD GLU A 71 10.803 7.359 9.683 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.781 8.421 9.023 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.497 7.143 10.700 1.00 0.00 O ATOM 0 H GLU A 71 8.011 5.198 6.633 1.00 0.00 H new ATOM 0 HA GLU A 71 7.594 5.183 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.838 7.047 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.314 7.682 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.629 5.587 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.436 5.598 8.493 1.00 0.00 H new ATOM 1007 N HIS A 72 5.678 6.744 7.373 1.00 0.00 N ATOM 1008 CA HIS A 72 4.391 7.399 7.207 1.00 0.00 C ATOM 1009 C HIS A 72 3.285 6.346 7.131 1.00 0.00 C ATOM 1010 O HIS A 72 2.101 6.676 7.189 1.00 0.00 O ATOM 1011 CB HIS A 72 4.407 8.330 5.993 1.00 0.00 C ATOM 1012 CG HIS A 72 5.382 9.477 6.112 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.061 10.775 5.752 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.672 9.509 6.555 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.117 11.544 5.971 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.115 10.757 6.470 1.00 0.00 N ATOM 0 H HIS A 72 6.179 6.561 6.504 1.00 0.00 H new ATOM 0 HA HIS A 72 4.186 8.029 8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.653 7.748 5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.405 8.732 5.843 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.237 8.662 6.914 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.178 12.607 5.787 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.047 11.076 6.734 1.00 0.00 H new ATOM 1023 N SER A 73 3.710 5.097 7.003 1.00 0.00 N ATOM 1024 CA SER A 73 2.769 3.991 6.919 1.00 0.00 C ATOM 1025 C SER A 73 1.778 4.057 8.083 1.00 0.00 C ATOM 1026 O SER A 73 0.700 3.469 8.018 1.00 0.00 O ATOM 1027 CB SER A 73 3.499 2.647 6.918 1.00 0.00 C ATOM 1028 OG SER A 73 3.119 1.833 8.023 1.00 0.00 O ATOM 0 H SER A 73 4.692 4.826 6.955 1.00 0.00 H new ATOM 0 HA SER A 73 2.222 4.077 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.286 2.119 5.989 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.575 2.819 6.947 1.00 0.00 H new ATOM 0 HG SER A 73 3.605 0.983 7.986 1.00 0.00 H new ATOM 1033 N HIS A 74 2.180 4.777 9.120 1.00 0.00 N ATOM 1034 CA HIS A 74 1.341 4.928 10.296 1.00 0.00 C ATOM 1035 C HIS A 74 0.138 5.811 9.959 1.00 0.00 C ATOM 1036 O HIS A 74 -0.884 5.761 10.643 1.00 0.00 O ATOM 1037 CB HIS A 74 2.154 5.457 11.479 1.00 0.00 C ATOM 1038 CG HIS A 74 2.517 6.919 11.369 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.824 7.372 11.403 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.730 8.025 11.225 1.00 0.00 C ATOM 1041 CE1 HIS A 74 3.813 8.691 11.284 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.514 9.094 11.174 1.00 0.00 N ATOM 0 H HIS A 74 3.076 5.262 9.170 1.00 0.00 H new ATOM 0 HA HIS A 74 0.957 3.954 10.601 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.585 5.302 12.396 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.069 4.872 11.569 1.00 0.00 H new ATOM 0 HD1 HIS A 74 4.655 6.789 11.503 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.652 8.029 11.163 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.680 9.335 11.276 1.00 0.00 H new ATOM 1049 N ARG A 75 0.300 6.599 8.908 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.760 7.493 8.472 1.00 0.00 C ATOM 1051 C ARG A 75 -1.286 7.064 7.101 1.00 0.00 C ATOM 1052 O ARG A 75 -2.200 7.686 6.561 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.263 8.938 8.391 1.00 0.00 C ATOM 1054 CG ARG A 75 1.012 9.034 7.551 1.00 0.00 C ATOM 1055 CD ARG A 75 1.302 10.483 7.157 1.00 0.00 C ATOM 1056 NE ARG A 75 0.776 10.756 5.802 1.00 0.00 N ATOM 1057 CZ ARG A 75 0.431 11.974 5.361 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.554 13.037 6.165 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -0.039 12.126 4.114 1.00 0.00 N ATOM 0 H ARG A 75 1.149 6.638 8.345 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.563 7.438 9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.038 9.569 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.071 9.317 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.854 8.631 8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.907 8.424 6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.845 11.162 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.376 10.667 7.183 1.00 0.00 H new ATOM 0 HE ARG A 75 0.669 9.968 5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.910 12.920 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.291 13.964 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.134 11.315 3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.302 13.052 3.777 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.685 6.006 6.577 1.00 0.00 N ATOM 1071 CA ILE A 76 -1.082 5.486 5.279 1.00 0.00 C ATOM 1072 C ILE A 76 -2.416 4.751 5.414 1.00 0.00 C ATOM 1073 O ILE A 76 -2.542 3.829 6.218 1.00 0.00 O ATOM 1074 CB ILE A 76 0.035 4.628 4.682 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.238 5.489 4.290 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.482 3.798 3.505 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.283 4.662 3.540 1.00 0.00 C ATOM 0 H ILE A 76 0.074 5.495 7.027 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.238 6.302 4.574 1.00 0.00 H new ATOM 0 HB ILE A 76 0.374 3.929 5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.908 6.318 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.686 5.923 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.331 3.197 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.283 3.142 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.864 4.463 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.127 5.298 3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.629 3.848 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.839 4.250 2.634 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.380 5.187 4.616 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.700 4.582 4.637 1.00 0.00 C ATOM 1090 C ARG A 77 -5.207 4.365 3.210 1.00 0.00 C ATOM 1091 O ARG A 77 -5.069 5.241 2.359 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.697 5.460 5.398 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.737 5.085 6.881 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.850 4.073 7.160 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.342 2.696 6.971 1.00 0.00 N ATOM 1096 CZ ARG A 77 -5.463 2.101 7.788 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -4.990 2.757 8.856 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -5.058 0.848 7.538 1.00 0.00 N ATOM 0 H ARG A 77 -3.272 5.953 3.951 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.617 3.622 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.419 6.509 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.691 5.348 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.776 4.666 7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.895 5.980 7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.218 4.197 8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.692 4.253 6.492 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.683 2.167 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.299 3.710 9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.321 2.303 9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.419 0.348 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.389 0.395 8.160 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.785 3.192 2.993 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.314 2.849 1.685 1.00 0.00 C ATOM 1111 C PHE A 78 -7.805 3.179 1.591 1.00 0.00 C ATOM 1112 O PHE A 78 -8.513 3.159 2.597 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.125 1.342 1.507 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.756 0.948 0.948 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.622 1.423 1.529 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.673 0.122 -0.130 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.352 1.057 1.011 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.403 -0.243 -0.648 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.269 0.232 -0.067 1.00 0.00 C ATOM 0 H PHE A 78 -5.898 2.468 3.702 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.795 3.418 0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.267 0.852 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.900 0.965 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.688 2.079 2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.573 -0.256 -0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.451 1.434 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.337 -0.898 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.303 -0.046 -0.461 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.238 3.474 0.375 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.633 3.807 0.138 1.00 0.00 C ATOM 1130 C LYS A 79 -10.133 3.046 -1.092 1.00 0.00 C ATOM 1131 O LYS A 79 -9.647 3.262 -2.200 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.812 5.324 0.036 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.071 5.939 1.413 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.568 5.982 1.722 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.186 7.303 1.257 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.661 7.195 1.202 1.00 0.00 N ATOM 0 H LYS A 79 -7.648 3.490 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.248 3.492 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.920 5.770 -0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.644 5.552 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.555 5.358 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.660 6.948 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.069 5.149 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.726 5.860 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.899 8.105 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.798 7.566 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.064 8.100 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.929 6.444 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.028 6.965 2.148 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.098 2.169 -0.853 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.669 1.374 -1.927 1.00 0.00 C ATOM 1148 C LEU A 80 -12.904 2.087 -2.481 1.00 0.00 C ATOM 1149 O LEU A 80 -13.463 2.967 -1.829 1.00 0.00 O ATOM 1150 CB LEU A 80 -11.945 -0.053 -1.449 1.00 0.00 C ATOM 1151 CG LEU A 80 -10.742 -0.997 -1.429 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.139 -2.380 -0.908 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.079 -1.071 -2.806 1.00 0.00 C ATOM 0 H LEU A 80 -11.498 1.992 0.068 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.960 1.278 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.360 -0.004 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.712 -0.488 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.002 -0.593 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.265 -3.032 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.528 -2.289 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.906 -2.806 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.227 -1.749 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.799 -1.439 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.738 -0.078 -3.100 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.295 1.679 -3.680 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.454 2.267 -4.329 1.00 0.00 C ATOM 1166 C LYS A 81 -15.727 1.657 -3.741 1.00 0.00 C ATOM 1167 O LYS A 81 -16.273 2.172 -2.766 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.347 2.122 -5.849 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.691 2.407 -6.523 1.00 0.00 C ATOM 1170 CD LYS A 81 -15.542 3.460 -7.622 1.00 0.00 C ATOM 1171 CE LYS A 81 -16.348 3.075 -8.864 1.00 0.00 C ATOM 1172 NZ LYS A 81 -16.375 4.194 -9.832 1.00 0.00 N ATOM 0 H LYS A 81 -12.829 0.948 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.496 3.339 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.592 2.809 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.017 1.114 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.091 1.486 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.409 2.752 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.879 4.428 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.490 3.569 -7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.909 2.193 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.366 2.810 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.926 3.916 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.815 5.026 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.403 4.428 -10.119 1.00 0.00 H new