USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 76 GLN :FLIP amide:sc= 0 F(o=-2.6,f=-2) USER MOD Set 1.2: A 83 CYS SG : rot -107:sc= -2.02! USER MOD Set 2.1: A 12 HIS : no HE2:sc= -0.454 K(o=-0.4,f=-2.6) USER MOD Set 2.2: A 87 THR OG1 : rot -107:sc= 0.0518 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.796 X(o=-0.8,f=-0.35) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -35:sc= 0.285 USER MOD Single : A 22 CYS SG : rot -26:sc= -1.37! USER MOD Single : A 24 MET CE :methyl 142:sc= -0.721 (180deg=-1.28) USER MOD Single : A 27 CYS SG : rot 130:sc= -2.45! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= -0.417 (180deg=-0.453) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.108 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0794 F(o=-3.2!,f=-0.079) USER MOD Single : A 59 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.99) USER MOD Single : A 67 THR OG1 : rot 88:sc= 0.0646 USER MOD Single : A 68 GLN : amide:sc= 0.0994 X(o=0.099,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -45:sc= -3.61! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 109:sc= 0.57 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -19.465 -16.030 -6.021 1.00 41.42 N ATOM 2 CA HIS A 1 -18.917 -14.807 -5.373 1.00 14.32 C ATOM 3 C HIS A 1 -18.116 -15.153 -4.098 1.00 54.43 C ATOM 4 O HIS A 1 -18.589 -15.899 -3.234 1.00 74.31 O ATOM 5 CB HIS A 1 -20.048 -13.772 -5.084 1.00 34.03 C ATOM 6 CG HIS A 1 -21.259 -14.313 -4.354 1.00 64.33 C ATOM 7 ND1 HIS A 1 -22.448 -14.609 -4.989 1.00 65.51 N ATOM 8 CD2 HIS A 1 -21.470 -14.603 -3.041 1.00 21.34 C ATOM 9 CE1 HIS A 1 -23.320 -15.053 -4.112 1.00 31.11 C ATOM 10 NE2 HIS A 1 -22.755 -15.060 -2.925 1.00 71.12 N ATOM 0 H1 HIS A 1 -19.997 -15.762 -6.874 1.00 41.42 H new ATOM 0 H2 HIS A 1 -18.683 -16.663 -6.285 1.00 41.42 H new ATOM 0 H3 HIS A 1 -20.098 -16.520 -5.358 1.00 41.42 H new ATOM 0 HA HIS A 1 -18.220 -14.343 -6.071 1.00 14.32 H new ATOM 0 HB2 HIS A 1 -19.627 -12.955 -4.497 1.00 34.03 H new ATOM 0 HB3 HIS A 1 -20.378 -13.347 -6.032 1.00 34.03 H new ATOM 0 HD2 HIS A 1 -20.755 -14.493 -2.239 1.00 21.34 H new ATOM 0 HE1 HIS A 1 -24.332 -15.361 -4.330 1.00 31.11 H new ATOM 0 HE2 HIS A 1 -23.202 -15.358 -2.058 1.00 71.12 H new ATOM 19 N MET A 2 -16.887 -14.625 -4.012 1.00 61.11 N ATOM 20 CA MET A 2 -16.031 -14.707 -2.809 1.00 2.31 C ATOM 21 C MET A 2 -15.259 -13.372 -2.634 1.00 12.50 C ATOM 22 O MET A 2 -14.514 -12.977 -3.541 1.00 33.12 O ATOM 23 CB MET A 2 -15.039 -15.903 -2.919 1.00 74.42 C ATOM 24 CG MET A 2 -14.118 -16.082 -1.700 1.00 74.43 C ATOM 25 SD MET A 2 -12.918 -17.420 -1.921 1.00 43.05 S ATOM 26 CE MET A 2 -12.040 -17.392 -0.352 1.00 32.42 C ATOM 0 H MET A 2 -16.449 -14.121 -4.783 1.00 61.11 H new ATOM 0 HA MET A 2 -16.660 -14.875 -1.935 1.00 2.31 H new ATOM 0 HB2 MET A 2 -15.610 -16.820 -3.065 1.00 74.42 H new ATOM 0 HB3 MET A 2 -14.422 -15.767 -3.807 1.00 74.42 H new ATOM 0 HG2 MET A 2 -13.586 -15.150 -1.512 1.00 74.43 H new ATOM 0 HG3 MET A 2 -14.725 -16.286 -0.818 1.00 74.43 H new ATOM 0 HE1 MET A 2 -11.272 -18.165 -0.351 1.00 32.42 H new ATOM 0 HE2 MET A 2 -11.573 -16.417 -0.214 1.00 32.42 H new ATOM 0 HE3 MET A 2 -12.742 -17.577 0.461 1.00 32.42 H new ATOM 36 N PRO A 3 -15.417 -12.644 -1.481 1.00 43.22 N ATOM 37 CA PRO A 3 -14.751 -11.333 -1.278 1.00 15.22 C ATOM 38 C PRO A 3 -13.214 -11.464 -1.040 1.00 72.54 C ATOM 39 O PRO A 3 -12.774 -11.950 0.012 1.00 31.32 O ATOM 40 CB PRO A 3 -15.501 -10.758 -0.054 1.00 24.00 C ATOM 41 CG PRO A 3 -15.928 -11.963 0.732 1.00 74.20 C ATOM 42 CD PRO A 3 -16.243 -13.032 -0.297 1.00 3.55 C ATOM 0 HA PRO A 3 -14.806 -10.687 -2.154 1.00 15.22 H new ATOM 0 HB2 PRO A 3 -14.855 -10.108 0.537 1.00 24.00 H new ATOM 0 HB3 PRO A 3 -16.360 -10.161 -0.361 1.00 24.00 H new ATOM 0 HG2 PRO A 3 -15.138 -12.290 1.408 1.00 74.20 H new ATOM 0 HG3 PRO A 3 -16.801 -11.741 1.346 1.00 74.20 H new ATOM 0 HD2 PRO A 3 -15.980 -14.026 0.066 1.00 3.55 H new ATOM 0 HD3 PRO A 3 -17.305 -13.052 -0.540 1.00 3.55 H new ATOM 50 N VAL A 4 -12.414 -11.059 -2.052 1.00 74.10 N ATOM 51 CA VAL A 4 -10.929 -11.073 -1.970 1.00 65.13 C ATOM 52 C VAL A 4 -10.427 -10.090 -0.871 1.00 63.31 C ATOM 53 O VAL A 4 -10.675 -8.880 -0.923 1.00 51.34 O ATOM 54 CB VAL A 4 -10.256 -10.780 -3.374 1.00 42.51 C ATOM 55 CG1 VAL A 4 -10.767 -9.461 -4.009 1.00 43.30 C ATOM 56 CG2 VAL A 4 -8.704 -10.803 -3.275 1.00 34.31 C ATOM 0 H VAL A 4 -12.772 -10.715 -2.943 1.00 74.10 H new ATOM 0 HA VAL A 4 -10.623 -12.079 -1.683 1.00 65.13 H new ATOM 0 HB VAL A 4 -10.557 -11.586 -4.043 1.00 42.51 H new ATOM 0 HG11 VAL A 4 -10.276 -9.305 -4.969 1.00 43.30 H new ATOM 0 HG12 VAL A 4 -11.845 -9.523 -4.159 1.00 43.30 H new ATOM 0 HG13 VAL A 4 -10.540 -8.626 -3.346 1.00 43.30 H new ATOM 0 HG21 VAL A 4 -8.274 -10.598 -4.255 1.00 34.31 H new ATOM 0 HG22 VAL A 4 -8.373 -10.042 -2.568 1.00 34.31 H new ATOM 0 HG23 VAL A 4 -8.376 -11.784 -2.932 1.00 34.31 H new ATOM 66 N HIS A 5 -9.760 -10.642 0.154 1.00 24.22 N ATOM 67 CA HIS A 5 -9.339 -9.887 1.353 1.00 2.24 C ATOM 68 C HIS A 5 -7.811 -9.710 1.437 1.00 10.42 C ATOM 69 O HIS A 5 -7.028 -10.502 0.899 1.00 51.41 O ATOM 70 CB HIS A 5 -9.895 -10.565 2.639 1.00 44.30 C ATOM 71 CG HIS A 5 -11.372 -10.343 2.872 1.00 2.20 C ATOM 72 ND1 HIS A 5 -12.161 -9.538 2.071 1.00 13.20 N ATOM 73 CD2 HIS A 5 -12.186 -10.774 3.869 1.00 71.35 C ATOM 74 CE1 HIS A 5 -13.374 -9.480 2.567 1.00 12.25 C ATOM 75 NE2 HIS A 5 -13.421 -10.217 3.652 1.00 12.55 N ATOM 0 H HIS A 5 -9.495 -11.627 0.179 1.00 24.22 H new ATOM 0 HA HIS A 5 -9.760 -8.885 1.269 1.00 2.24 H new ATOM 0 HB2 HIS A 5 -9.706 -11.637 2.581 1.00 44.30 H new ATOM 0 HB3 HIS A 5 -9.343 -10.190 3.501 1.00 44.30 H new ATOM 0 HD2 HIS A 5 -11.913 -11.432 4.681 1.00 71.35 H new ATOM 0 HE1 HIS A 5 -14.198 -8.919 2.151 1.00 12.25 H new ATOM 0 HE2 HIS A 5 -14.244 -10.354 4.240 1.00 12.55 H new ATOM 84 N ILE A 6 -7.423 -8.643 2.140 1.00 64.44 N ATOM 85 CA ILE A 6 -6.029 -8.226 2.330 1.00 60.44 C ATOM 86 C ILE A 6 -5.421 -8.985 3.522 1.00 74.34 C ATOM 87 O ILE A 6 -5.784 -8.750 4.679 1.00 30.52 O ATOM 88 CB ILE A 6 -5.989 -6.678 2.569 1.00 55.44 C ATOM 89 CG1 ILE A 6 -6.754 -5.951 1.415 1.00 33.34 C ATOM 90 CG2 ILE A 6 -4.537 -6.149 2.706 1.00 4.13 C ATOM 91 CD1 ILE A 6 -7.061 -4.505 1.672 1.00 10.12 C ATOM 0 H ILE A 6 -8.088 -8.027 2.607 1.00 64.44 H new ATOM 0 HA ILE A 6 -5.441 -8.460 1.443 1.00 60.44 H new ATOM 0 HB ILE A 6 -6.486 -6.463 3.515 1.00 55.44 H new ATOM 0 HG12 ILE A 6 -6.161 -6.025 0.503 1.00 33.34 H new ATOM 0 HG13 ILE A 6 -7.690 -6.479 1.231 1.00 33.34 H new ATOM 0 HG21 ILE A 6 -4.556 -5.072 2.870 1.00 4.13 H new ATOM 0 HG22 ILE A 6 -4.050 -6.636 3.551 1.00 4.13 H new ATOM 0 HG23 ILE A 6 -3.983 -6.367 1.793 1.00 4.13 H new ATOM 0 HD11 ILE A 6 -7.592 -4.088 0.816 1.00 10.12 H new ATOM 0 HD12 ILE A 6 -7.683 -4.418 2.563 1.00 10.12 H new ATOM 0 HD13 ILE A 6 -6.131 -3.957 1.824 1.00 10.12 H new ATOM 103 N VAL A 7 -4.527 -9.922 3.219 1.00 21.34 N ATOM 104 CA VAL A 7 -3.894 -10.797 4.225 1.00 42.55 C ATOM 105 C VAL A 7 -2.680 -10.107 4.918 1.00 33.40 C ATOM 106 O VAL A 7 -2.321 -10.463 6.046 1.00 24.24 O ATOM 107 CB VAL A 7 -3.470 -12.160 3.557 1.00 74.41 C ATOM 108 CG1 VAL A 7 -4.710 -12.935 3.024 1.00 51.41 C ATOM 109 CG2 VAL A 7 -2.429 -11.941 2.429 1.00 23.24 C ATOM 0 H VAL A 7 -4.214 -10.104 2.266 1.00 21.34 H new ATOM 0 HA VAL A 7 -4.626 -10.999 5.007 1.00 42.55 H new ATOM 0 HB VAL A 7 -2.999 -12.768 4.329 1.00 74.41 H new ATOM 0 HG11 VAL A 7 -4.386 -13.871 2.569 1.00 51.41 H new ATOM 0 HG12 VAL A 7 -5.388 -13.149 3.850 1.00 51.41 H new ATOM 0 HG13 VAL A 7 -5.226 -12.329 2.279 1.00 51.41 H new ATOM 0 HG21 VAL A 7 -2.160 -12.902 1.991 1.00 23.24 H new ATOM 0 HG22 VAL A 7 -2.856 -11.298 1.659 1.00 23.24 H new ATOM 0 HG23 VAL A 7 -1.538 -11.468 2.843 1.00 23.24 H new ATOM 119 N ASP A 8 -2.086 -9.110 4.233 1.00 63.40 N ATOM 120 CA ASP A 8 -0.899 -8.366 4.709 1.00 12.42 C ATOM 121 C ASP A 8 -0.910 -6.918 4.140 1.00 1.12 C ATOM 122 O ASP A 8 -1.204 -6.743 2.976 1.00 31.44 O ATOM 123 CB ASP A 8 0.376 -9.117 4.269 1.00 41.13 C ATOM 124 CG ASP A 8 1.672 -8.377 4.617 1.00 40.32 C ATOM 125 OD1 ASP A 8 2.103 -8.428 5.789 1.00 1.44 O ATOM 126 OD2 ASP A 8 2.263 -7.735 3.721 1.00 11.23 O ATOM 0 H ASP A 8 -2.420 -8.794 3.323 1.00 63.40 H new ATOM 0 HA ASP A 8 -0.918 -8.300 5.797 1.00 12.42 H new ATOM 0 HB2 ASP A 8 0.390 -10.100 4.740 1.00 41.13 H new ATOM 0 HB3 ASP A 8 0.338 -9.281 3.192 1.00 41.13 H new ATOM 131 N PRO A 9 -0.654 -5.838 4.952 1.00 35.53 N ATOM 132 CA PRO A 9 -0.484 -5.902 6.435 1.00 14.35 C ATOM 133 C PRO A 9 -1.835 -6.033 7.183 1.00 43.11 C ATOM 134 O PRO A 9 -1.862 -6.120 8.418 1.00 52.23 O ATOM 135 CB PRO A 9 0.207 -4.557 6.752 1.00 32.33 C ATOM 136 CG PRO A 9 -0.343 -3.618 5.721 1.00 33.42 C ATOM 137 CD PRO A 9 -0.494 -4.440 4.458 1.00 61.53 C ATOM 0 HA PRO A 9 0.083 -6.776 6.756 1.00 14.35 H new ATOM 0 HB2 PRO A 9 -0.021 -4.219 7.763 1.00 32.33 H new ATOM 0 HB3 PRO A 9 1.292 -4.638 6.680 1.00 32.33 H new ATOM 0 HG2 PRO A 9 -1.302 -3.207 6.038 1.00 33.42 H new ATOM 0 HG3 PRO A 9 0.329 -2.775 5.561 1.00 33.42 H new ATOM 0 HD2 PRO A 9 -1.359 -4.121 3.876 1.00 61.53 H new ATOM 0 HD3 PRO A 9 0.379 -4.343 3.812 1.00 61.53 H new ATOM 145 N ARG A 10 -2.939 -6.017 6.390 1.00 5.35 N ATOM 146 CA ARG A 10 -4.319 -6.247 6.823 1.00 63.30 C ATOM 147 C ARG A 10 -4.903 -5.045 7.609 1.00 32.35 C ATOM 148 O ARG A 10 -5.761 -4.323 7.100 1.00 41.20 O ATOM 149 CB ARG A 10 -4.420 -7.574 7.619 1.00 72.03 C ATOM 150 CG ARG A 10 -5.847 -8.086 7.799 1.00 1.05 C ATOM 151 CD ARG A 10 -5.894 -9.443 8.512 1.00 21.32 C ATOM 152 NE ARG A 10 -5.040 -10.455 7.850 1.00 33.11 N ATOM 153 CZ ARG A 10 -5.089 -11.751 8.068 1.00 4.21 C ATOM 154 NH1 ARG A 10 -5.956 -12.267 8.882 1.00 72.01 N ATOM 155 NH2 ARG A 10 -4.252 -12.526 7.468 1.00 31.24 N ATOM 0 H ARG A 10 -2.875 -5.834 5.389 1.00 5.35 H new ATOM 0 HA ARG A 10 -4.936 -6.341 5.930 1.00 63.30 H new ATOM 0 HB2 ARG A 10 -3.833 -8.337 7.108 1.00 72.03 H new ATOM 0 HB3 ARG A 10 -3.970 -7.431 8.601 1.00 72.03 H new ATOM 0 HG2 ARG A 10 -6.422 -7.358 8.371 1.00 1.05 H new ATOM 0 HG3 ARG A 10 -6.325 -8.174 6.823 1.00 1.05 H new ATOM 0 HD2 ARG A 10 -5.572 -9.319 9.546 1.00 21.32 H new ATOM 0 HD3 ARG A 10 -6.923 -9.801 8.540 1.00 21.32 H new ATOM 0 HE ARG A 10 -4.358 -10.120 7.169 1.00 33.11 H new ATOM 0 HH11 ARG A 10 -6.619 -11.665 9.369 1.00 72.01 H new ATOM 0 HH12 ARG A 10 -5.975 -13.275 9.035 1.00 72.01 H new ATOM 0 HH21 ARG A 10 -3.560 -12.133 6.831 1.00 31.24 H new ATOM 0 HH22 ARG A 10 -4.282 -13.533 7.631 1.00 31.24 H new ATOM 169 N GLU A 11 -4.387 -4.831 8.824 1.00 61.21 N ATOM 170 CA GLU A 11 -4.902 -3.827 9.788 1.00 40.52 C ATOM 171 C GLU A 11 -4.555 -2.362 9.401 1.00 32.12 C ATOM 172 O GLU A 11 -3.900 -2.094 8.384 1.00 10.51 O ATOM 173 CB GLU A 11 -4.332 -4.154 11.197 1.00 1.32 C ATOM 174 CG GLU A 11 -2.792 -4.062 11.318 1.00 72.13 C ATOM 175 CD GLU A 11 -2.293 -4.423 12.726 1.00 0.53 C ATOM 176 OE1 GLU A 11 -2.359 -3.556 13.625 1.00 4.20 O ATOM 177 OE2 GLU A 11 -1.877 -5.583 12.948 1.00 35.22 O ATOM 0 H GLU A 11 -3.587 -5.354 9.180 1.00 61.21 H new ATOM 0 HA GLU A 11 -5.990 -3.892 9.779 1.00 40.52 H new ATOM 0 HB2 GLU A 11 -4.779 -3.472 11.920 1.00 1.32 H new ATOM 0 HB3 GLU A 11 -4.643 -5.161 11.473 1.00 1.32 H new ATOM 0 HG2 GLU A 11 -2.332 -4.730 10.590 1.00 72.13 H new ATOM 0 HG3 GLU A 11 -2.470 -3.051 11.070 1.00 72.13 H new ATOM 184 N HIS A 12 -5.015 -1.423 10.246 1.00 12.41 N ATOM 185 CA HIS A 12 -4.706 0.014 10.121 1.00 34.42 C ATOM 186 C HIS A 12 -3.255 0.290 10.612 1.00 14.51 C ATOM 187 O HIS A 12 -2.975 0.213 11.815 1.00 54.32 O ATOM 188 CB HIS A 12 -5.745 0.823 10.945 1.00 12.03 C ATOM 189 CG HIS A 12 -5.682 2.324 10.799 1.00 43.23 C ATOM 190 ND1 HIS A 12 -6.720 3.065 10.276 1.00 30.12 N ATOM 191 CD2 HIS A 12 -4.738 3.231 11.165 1.00 4.21 C ATOM 192 CE1 HIS A 12 -6.422 4.344 10.324 1.00 1.45 C ATOM 193 NE2 HIS A 12 -5.226 4.472 10.860 1.00 4.34 N ATOM 0 H HIS A 12 -5.616 -1.640 11.041 1.00 12.41 H new ATOM 0 HA HIS A 12 -4.766 0.323 9.078 1.00 34.42 H new ATOM 0 HB2 HIS A 12 -6.743 0.492 10.659 1.00 12.03 H new ATOM 0 HB3 HIS A 12 -5.616 0.575 11.999 1.00 12.03 H new ATOM 0 HD1 HIS A 12 -7.589 2.679 9.907 1.00 30.12 H new ATOM 0 HD2 HIS A 12 -3.780 3.012 11.613 1.00 4.21 H new ATOM 0 HE1 HIS A 12 -7.051 5.153 9.982 1.00 1.45 H new ATOM 202 N VAL A 13 -2.352 0.599 9.667 1.00 40.55 N ATOM 203 CA VAL A 13 -0.921 0.877 9.952 1.00 25.24 C ATOM 204 C VAL A 13 -0.638 2.409 9.971 1.00 14.14 C ATOM 205 O VAL A 13 -1.208 3.164 9.181 1.00 34.43 O ATOM 206 CB VAL A 13 -0.007 0.166 8.879 1.00 12.23 C ATOM 207 CG1 VAL A 13 1.506 0.405 9.142 1.00 71.41 C ATOM 208 CG2 VAL A 13 -0.330 -1.352 8.805 1.00 61.34 C ATOM 0 H VAL A 13 -2.588 0.665 8.677 1.00 40.55 H new ATOM 0 HA VAL A 13 -0.688 0.480 10.940 1.00 25.24 H new ATOM 0 HB VAL A 13 -0.232 0.616 7.912 1.00 12.23 H new ATOM 0 HG11 VAL A 13 2.093 -0.104 8.378 1.00 71.41 H new ATOM 0 HG12 VAL A 13 1.717 1.474 9.109 1.00 71.41 H new ATOM 0 HG13 VAL A 13 1.771 0.013 10.124 1.00 71.41 H new ATOM 0 HG21 VAL A 13 0.310 -1.824 8.060 1.00 61.34 H new ATOM 0 HG22 VAL A 13 -0.153 -1.810 9.778 1.00 61.34 H new ATOM 0 HG23 VAL A 13 -1.374 -1.489 8.525 1.00 61.34 H new ATOM 218 N PHE A 14 0.227 2.854 10.903 1.00 53.13 N ATOM 219 CA PHE A 14 0.727 4.247 10.970 1.00 2.50 C ATOM 220 C PHE A 14 2.152 4.321 10.377 1.00 23.01 C ATOM 221 O PHE A 14 2.976 3.444 10.634 1.00 34.02 O ATOM 222 CB PHE A 14 0.731 4.738 12.448 1.00 11.22 C ATOM 223 CG PHE A 14 1.236 6.172 12.653 1.00 54.21 C ATOM 224 CD1 PHE A 14 0.375 7.257 12.517 1.00 24.22 C ATOM 225 CD2 PHE A 14 2.574 6.431 12.971 1.00 61.34 C ATOM 226 CE1 PHE A 14 0.830 8.549 12.688 1.00 74.43 C ATOM 227 CE2 PHE A 14 3.026 7.725 13.144 1.00 42.44 C ATOM 228 CZ PHE A 14 2.154 8.783 13.001 1.00 10.41 C ATOM 0 H PHE A 14 0.603 2.255 11.638 1.00 53.13 H new ATOM 0 HA PHE A 14 0.070 4.893 10.388 1.00 2.50 H new ATOM 0 HB2 PHE A 14 -0.283 4.666 12.842 1.00 11.22 H new ATOM 0 HB3 PHE A 14 1.351 4.063 13.038 1.00 11.22 H new ATOM 0 HD1 PHE A 14 -0.663 7.086 12.274 1.00 24.22 H new ATOM 0 HD2 PHE A 14 3.263 5.607 13.083 1.00 61.34 H new ATOM 0 HE1 PHE A 14 0.148 9.379 12.577 1.00 74.43 H new ATOM 0 HE2 PHE A 14 4.061 7.907 13.391 1.00 42.44 H new ATOM 0 HZ PHE A 14 2.507 9.795 13.134 1.00 10.41 H new ATOM 238 N VAL A 15 2.430 5.371 9.587 1.00 63.11 N ATOM 239 CA VAL A 15 3.772 5.645 9.021 1.00 64.35 C ATOM 240 C VAL A 15 4.163 7.115 9.299 1.00 75.02 C ATOM 241 O VAL A 15 3.430 8.033 8.928 1.00 61.53 O ATOM 242 CB VAL A 15 3.822 5.368 7.465 1.00 4.41 C ATOM 243 CG1 VAL A 15 5.227 5.672 6.874 1.00 41.42 C ATOM 244 CG2 VAL A 15 3.391 3.912 7.148 1.00 24.43 C ATOM 0 H VAL A 15 1.729 6.061 9.318 1.00 63.11 H new ATOM 0 HA VAL A 15 4.481 4.971 9.503 1.00 64.35 H new ATOM 0 HB VAL A 15 3.113 6.045 6.989 1.00 4.41 H new ATOM 0 HG11 VAL A 15 5.223 5.470 5.803 1.00 41.42 H new ATOM 0 HG12 VAL A 15 5.475 6.720 7.045 1.00 41.42 H new ATOM 0 HG13 VAL A 15 5.970 5.040 7.360 1.00 41.42 H new ATOM 0 HG21 VAL A 15 3.434 3.746 6.072 1.00 24.43 H new ATOM 0 HG22 VAL A 15 4.064 3.216 7.649 1.00 24.43 H new ATOM 0 HG23 VAL A 15 2.372 3.749 7.500 1.00 24.43 H new ATOM 254 N HIS A 16 5.300 7.334 9.981 1.00 11.45 N ATOM 255 CA HIS A 16 5.862 8.685 10.164 1.00 61.15 C ATOM 256 C HIS A 16 6.801 9.028 8.981 1.00 44.14 C ATOM 257 O HIS A 16 7.921 8.512 8.891 1.00 71.11 O ATOM 258 CB HIS A 16 6.609 8.808 11.513 1.00 41.21 C ATOM 259 CG HIS A 16 7.180 10.182 11.761 1.00 34.45 C ATOM 260 ND1 HIS A 16 8.526 10.465 11.680 1.00 13.13 N ATOM 261 CD2 HIS A 16 6.572 11.360 12.042 1.00 73.22 C ATOM 262 CE1 HIS A 16 8.719 11.745 11.896 1.00 23.34 C ATOM 263 NE2 HIS A 16 7.553 12.314 12.119 1.00 70.54 N ATOM 0 H HIS A 16 5.849 6.592 10.416 1.00 11.45 H new ATOM 0 HA HIS A 16 5.039 9.400 10.182 1.00 61.15 H new ATOM 0 HB2 HIS A 16 5.924 8.556 12.323 1.00 41.21 H new ATOM 0 HB3 HIS A 16 7.417 8.077 11.540 1.00 41.21 H new ATOM 0 HD2 HIS A 16 5.512 11.518 12.180 1.00 73.22 H new ATOM 0 HE1 HIS A 16 9.675 12.248 11.892 1.00 23.34 H new ATOM 0 HE2 HIS A 16 7.404 13.303 12.317 1.00 70.54 H new ATOM 272 N ALA A 17 6.313 9.890 8.083 1.00 62.55 N ATOM 273 CA ALA A 17 7.040 10.326 6.877 1.00 3.01 C ATOM 274 C ALA A 17 7.935 11.560 7.132 1.00 73.53 C ATOM 275 O ALA A 17 7.709 12.333 8.065 1.00 60.02 O ATOM 276 CB ALA A 17 6.022 10.644 5.781 1.00 53.43 C ATOM 0 H ALA A 17 5.389 10.313 8.171 1.00 62.55 H new ATOM 0 HA ALA A 17 7.702 9.515 6.573 1.00 3.01 H new ATOM 0 HB1 ALA A 17 6.545 10.968 4.881 1.00 53.43 H new ATOM 0 HB2 ALA A 17 5.436 9.752 5.558 1.00 53.43 H new ATOM 0 HB3 ALA A 17 5.358 11.439 6.121 1.00 53.43 H new ATOM 282 N ILE A 18 8.962 11.707 6.280 1.00 10.15 N ATOM 283 CA ILE A 18 9.799 12.923 6.167 1.00 73.54 C ATOM 284 C ILE A 18 9.837 13.343 4.674 1.00 13.33 C ATOM 285 O ILE A 18 9.843 12.478 3.787 1.00 4.35 O ATOM 286 CB ILE A 18 11.268 12.670 6.705 1.00 13.52 C ATOM 287 CG1 ILE A 18 11.270 12.300 8.229 1.00 72.23 C ATOM 288 CG2 ILE A 18 12.220 13.868 6.427 1.00 32.33 C ATOM 289 CD1 ILE A 18 10.788 13.401 9.168 1.00 11.22 C ATOM 0 H ILE A 18 9.244 10.970 5.634 1.00 10.15 H new ATOM 0 HA ILE A 18 9.368 13.716 6.777 1.00 73.54 H new ATOM 0 HB ILE A 18 11.654 11.817 6.147 1.00 13.52 H new ATOM 0 HG12 ILE A 18 10.641 11.421 8.373 1.00 72.23 H new ATOM 0 HG13 ILE A 18 12.283 12.018 8.516 1.00 72.23 H new ATOM 0 HG21 ILE A 18 13.213 13.642 6.816 1.00 32.33 H new ATOM 0 HG22 ILE A 18 12.282 14.042 5.353 1.00 32.33 H new ATOM 0 HG23 ILE A 18 11.833 14.761 6.917 1.00 32.33 H new ATOM 0 HD11 ILE A 18 10.828 13.045 10.197 1.00 11.22 H new ATOM 0 HD12 ILE A 18 11.429 14.276 9.062 1.00 11.22 H new ATOM 0 HD13 ILE A 18 9.762 13.670 8.917 1.00 11.22 H new ATOM 301 N THR A 19 9.851 14.667 4.415 1.00 53.54 N ATOM 302 CA THR A 19 9.893 15.244 3.044 1.00 10.01 C ATOM 303 C THR A 19 11.071 14.709 2.198 1.00 0.30 C ATOM 304 O THR A 19 10.911 14.411 1.009 1.00 23.14 O ATOM 305 CB THR A 19 9.965 16.813 3.083 1.00 2.42 C ATOM 306 OG1 THR A 19 11.066 17.240 3.911 1.00 33.23 O ATOM 307 CG2 THR A 19 8.658 17.434 3.610 1.00 31.02 C ATOM 0 H THR A 19 9.834 15.374 5.150 1.00 53.54 H new ATOM 0 HA THR A 19 8.964 14.929 2.569 1.00 10.01 H new ATOM 0 HB THR A 19 10.116 17.157 2.060 1.00 2.42 H new ATOM 0 HG1 THR A 19 11.103 18.219 3.927 1.00 33.23 H new ATOM 0 HG21 THR A 19 8.750 18.520 3.621 1.00 31.02 H new ATOM 0 HG22 THR A 19 7.831 17.146 2.961 1.00 31.02 H new ATOM 0 HG23 THR A 19 8.467 17.076 4.622 1.00 31.02 H new ATOM 315 N SER A 20 12.253 14.590 2.826 1.00 72.53 N ATOM 316 CA SER A 20 13.500 14.136 2.148 1.00 55.11 C ATOM 317 C SER A 20 13.590 12.592 2.005 1.00 1.12 C ATOM 318 O SER A 20 14.509 12.082 1.355 1.00 40.20 O ATOM 319 CB SER A 20 14.739 14.673 2.914 1.00 63.15 C ATOM 320 OG SER A 20 15.973 14.354 2.267 1.00 34.22 O ATOM 0 H SER A 20 12.381 14.803 3.815 1.00 72.53 H new ATOM 0 HA SER A 20 13.477 14.542 1.137 1.00 55.11 H new ATOM 0 HB2 SER A 20 14.657 15.755 3.015 1.00 63.15 H new ATOM 0 HB3 SER A 20 14.745 14.258 3.922 1.00 63.15 H new ATOM 0 HG SER A 20 15.900 13.476 1.838 1.00 34.22 H new ATOM 326 N GLU A 21 12.635 11.850 2.596 1.00 24.14 N ATOM 327 CA GLU A 21 12.653 10.363 2.605 1.00 25.44 C ATOM 328 C GLU A 21 11.527 9.777 1.729 1.00 61.14 C ATOM 329 O GLU A 21 10.494 10.420 1.505 1.00 24.35 O ATOM 330 CB GLU A 21 12.546 9.848 4.067 1.00 32.42 C ATOM 331 CG GLU A 21 13.661 10.364 5.007 1.00 22.13 C ATOM 332 CD GLU A 21 15.086 9.973 4.564 1.00 23.01 C ATOM 333 OE1 GLU A 21 15.506 8.827 4.835 1.00 11.30 O ATOM 334 OE2 GLU A 21 15.798 10.813 3.963 1.00 73.43 O ATOM 0 H GLU A 21 11.832 12.254 3.079 1.00 24.14 H new ATOM 0 HA GLU A 21 13.598 10.027 2.178 1.00 25.44 H new ATOM 0 HB2 GLU A 21 11.579 10.143 4.474 1.00 32.42 H new ATOM 0 HB3 GLU A 21 12.569 8.758 4.059 1.00 32.42 H new ATOM 0 HG2 GLU A 21 13.596 11.450 5.069 1.00 22.13 H new ATOM 0 HG3 GLU A 21 13.484 9.977 6.010 1.00 22.13 H new ATOM 341 N CYS A 22 11.756 8.545 1.239 1.00 34.43 N ATOM 342 CA CYS A 22 10.805 7.808 0.379 1.00 11.23 C ATOM 343 C CYS A 22 9.916 6.869 1.225 1.00 24.11 C ATOM 344 O CYS A 22 10.429 6.010 1.951 1.00 31.10 O ATOM 345 CB CYS A 22 11.579 7.004 -0.690 1.00 21.15 C ATOM 346 SG CYS A 22 12.684 8.013 -1.706 1.00 35.11 S ATOM 0 H CYS A 22 12.613 8.026 1.429 1.00 34.43 H new ATOM 0 HA CYS A 22 10.156 8.527 -0.120 1.00 11.23 H new ATOM 0 HB2 CYS A 22 12.163 6.228 -0.195 1.00 21.15 H new ATOM 0 HB3 CYS A 22 10.864 6.499 -1.339 1.00 21.15 H new ATOM 0 HG CYS A 22 12.245 9.236 -1.742 1.00 35.11 H new ATOM 352 N VAL A 23 8.582 7.040 1.125 1.00 1.33 N ATOM 353 CA VAL A 23 7.592 6.224 1.874 1.00 50.22 C ATOM 354 C VAL A 23 7.048 5.071 0.998 1.00 60.33 C ATOM 355 O VAL A 23 6.405 5.304 -0.025 1.00 2.13 O ATOM 356 CB VAL A 23 6.408 7.120 2.406 1.00 54.30 C ATOM 357 CG1 VAL A 23 5.276 6.285 3.063 1.00 1.22 C ATOM 358 CG2 VAL A 23 6.954 8.179 3.390 1.00 15.13 C ATOM 0 H VAL A 23 8.156 7.746 0.524 1.00 1.33 H new ATOM 0 HA VAL A 23 8.103 5.788 2.733 1.00 50.22 H new ATOM 0 HB VAL A 23 5.962 7.620 1.546 1.00 54.30 H new ATOM 0 HG11 VAL A 23 4.487 6.952 3.411 1.00 1.22 H new ATOM 0 HG12 VAL A 23 4.866 5.589 2.331 1.00 1.22 H new ATOM 0 HG13 VAL A 23 5.679 5.727 3.908 1.00 1.22 H new ATOM 0 HG21 VAL A 23 6.132 8.795 3.754 1.00 15.13 H new ATOM 0 HG22 VAL A 23 7.434 7.680 4.232 1.00 15.13 H new ATOM 0 HG23 VAL A 23 7.681 8.810 2.879 1.00 15.13 H new ATOM 368 N MET A 24 7.321 3.825 1.426 1.00 4.03 N ATOM 369 CA MET A 24 6.875 2.603 0.730 1.00 40.12 C ATOM 370 C MET A 24 5.731 1.918 1.523 1.00 22.15 C ATOM 371 O MET A 24 5.980 1.187 2.487 1.00 22.41 O ATOM 372 CB MET A 24 8.078 1.637 0.545 1.00 51.23 C ATOM 373 CG MET A 24 9.227 2.189 -0.309 1.00 52.21 C ATOM 374 SD MET A 24 10.618 1.037 -0.448 1.00 43.12 S ATOM 375 CE MET A 24 9.822 -0.446 -1.072 1.00 13.31 C ATOM 0 H MET A 24 7.861 3.636 2.270 1.00 4.03 H new ATOM 0 HA MET A 24 6.489 2.870 -0.254 1.00 40.12 H new ATOM 0 HB2 MET A 24 8.469 1.375 1.528 1.00 51.23 H new ATOM 0 HB3 MET A 24 7.717 0.715 0.090 1.00 51.23 H new ATOM 0 HG2 MET A 24 8.853 2.421 -1.306 1.00 52.21 H new ATOM 0 HG3 MET A 24 9.579 3.125 0.125 1.00 52.21 H new ATOM 0 HE1 MET A 24 10.477 -0.934 -1.794 1.00 13.31 H new ATOM 0 HE2 MET A 24 9.623 -1.127 -0.245 1.00 13.31 H new ATOM 0 HE3 MET A 24 8.883 -0.179 -1.556 1.00 13.31 H new ATOM 385 N LEU A 25 4.480 2.214 1.143 1.00 51.43 N ATOM 386 CA LEU A 25 3.274 1.564 1.708 1.00 23.34 C ATOM 387 C LEU A 25 3.032 0.200 1.017 1.00 41.11 C ATOM 388 O LEU A 25 2.785 0.168 -0.179 1.00 4.32 O ATOM 389 CB LEU A 25 2.047 2.492 1.500 1.00 64.12 C ATOM 390 CG LEU A 25 2.174 3.933 2.079 1.00 3.25 C ATOM 391 CD1 LEU A 25 0.952 4.796 1.699 1.00 61.40 C ATOM 392 CD2 LEU A 25 2.390 3.901 3.608 1.00 62.41 C ATOM 0 H LEU A 25 4.268 2.914 0.432 1.00 51.43 H new ATOM 0 HA LEU A 25 3.421 1.392 2.774 1.00 23.34 H new ATOM 0 HB2 LEU A 25 1.851 2.568 0.430 1.00 64.12 H new ATOM 0 HB3 LEU A 25 1.176 2.016 1.951 1.00 64.12 H new ATOM 0 HG LEU A 25 3.054 4.397 1.633 1.00 3.25 H new ATOM 0 HD11 LEU A 25 1.069 5.796 2.117 1.00 61.40 H new ATOM 0 HD12 LEU A 25 0.877 4.863 0.614 1.00 61.40 H new ATOM 0 HD13 LEU A 25 0.046 4.340 2.098 1.00 61.40 H new ATOM 0 HD21 LEU A 25 2.475 4.920 3.985 1.00 62.41 H new ATOM 0 HD22 LEU A 25 1.543 3.407 4.085 1.00 62.41 H new ATOM 0 HD23 LEU A 25 3.304 3.353 3.835 1.00 62.41 H new ATOM 404 N ALA A 26 3.121 -0.915 1.758 1.00 62.34 N ATOM 405 CA ALA A 26 2.930 -2.273 1.184 1.00 11.30 C ATOM 406 C ALA A 26 1.484 -2.773 1.365 1.00 51.22 C ATOM 407 O ALA A 26 0.839 -2.473 2.366 1.00 51.14 O ATOM 408 CB ALA A 26 3.915 -3.262 1.822 1.00 63.13 C ATOM 0 H ALA A 26 3.324 -0.912 2.758 1.00 62.34 H new ATOM 0 HA ALA A 26 3.126 -2.208 0.114 1.00 11.30 H new ATOM 0 HB1 ALA A 26 3.765 -4.253 1.393 1.00 63.13 H new ATOM 0 HB2 ALA A 26 4.936 -2.934 1.629 1.00 63.13 H new ATOM 0 HB3 ALA A 26 3.744 -3.303 2.898 1.00 63.13 H new ATOM 414 N CYS A 27 0.991 -3.529 0.371 1.00 12.32 N ATOM 415 CA CYS A 27 -0.301 -4.250 0.445 1.00 0.24 C ATOM 416 C CYS A 27 -0.204 -5.610 -0.274 1.00 70.02 C ATOM 417 O CYS A 27 0.466 -5.725 -1.288 1.00 73.11 O ATOM 418 CB CYS A 27 -1.453 -3.422 -0.162 1.00 55.41 C ATOM 419 SG CYS A 27 -3.052 -4.271 -0.100 1.00 34.23 S ATOM 0 H CYS A 27 1.478 -3.661 -0.516 1.00 12.32 H new ATOM 0 HA CYS A 27 -0.520 -4.414 1.500 1.00 0.24 H new ATOM 0 HB2 CYS A 27 -1.531 -2.475 0.371 1.00 55.41 H new ATOM 0 HB3 CYS A 27 -1.215 -3.185 -1.199 1.00 55.41 H new ATOM 0 HG CYS A 27 -3.946 -3.476 0.409 1.00 34.23 H new ATOM 425 N GLU A 28 -0.873 -6.628 0.279 1.00 21.31 N ATOM 426 CA GLU A 28 -0.908 -8.000 -0.262 1.00 42.13 C ATOM 427 C GLU A 28 -2.282 -8.640 0.032 1.00 60.11 C ATOM 428 O GLU A 28 -2.757 -8.631 1.176 1.00 50.43 O ATOM 429 CB GLU A 28 0.213 -8.899 0.346 1.00 45.35 C ATOM 430 CG GLU A 28 0.164 -10.371 -0.142 1.00 14.25 C ATOM 431 CD GLU A 28 1.096 -11.330 0.618 1.00 13.13 C ATOM 432 OE1 GLU A 28 0.918 -11.500 1.842 1.00 20.00 O ATOM 433 OE2 GLU A 28 1.988 -11.942 -0.004 1.00 34.51 O ATOM 0 H GLU A 28 -1.419 -6.523 1.134 1.00 21.31 H new ATOM 0 HA GLU A 28 -0.740 -7.931 -1.337 1.00 42.13 H new ATOM 0 HB2 GLU A 28 1.184 -8.474 0.094 1.00 45.35 H new ATOM 0 HB3 GLU A 28 0.130 -8.883 1.433 1.00 45.35 H new ATOM 0 HG2 GLU A 28 -0.860 -10.735 -0.054 1.00 14.25 H new ATOM 0 HG3 GLU A 28 0.422 -10.398 -1.201 1.00 14.25 H new ATOM 440 N VAL A 29 -2.905 -9.201 -1.009 1.00 42.43 N ATOM 441 CA VAL A 29 -4.172 -9.955 -0.901 1.00 64.23 C ATOM 442 C VAL A 29 -3.937 -11.465 -1.153 1.00 33.33 C ATOM 443 O VAL A 29 -2.817 -11.890 -1.470 1.00 50.23 O ATOM 444 CB VAL A 29 -5.244 -9.382 -1.903 1.00 63.34 C ATOM 445 CG1 VAL A 29 -5.665 -7.961 -1.494 1.00 43.25 C ATOM 446 CG2 VAL A 29 -4.719 -9.382 -3.350 1.00 50.34 C ATOM 0 H VAL A 29 -2.546 -9.148 -1.962 1.00 42.43 H new ATOM 0 HA VAL A 29 -4.554 -9.837 0.113 1.00 64.23 H new ATOM 0 HB VAL A 29 -6.115 -10.035 -1.859 1.00 63.34 H new ATOM 0 HG11 VAL A 29 -6.406 -7.584 -2.199 1.00 43.25 H new ATOM 0 HG12 VAL A 29 -6.095 -7.983 -0.493 1.00 43.25 H new ATOM 0 HG13 VAL A 29 -4.793 -7.307 -1.500 1.00 43.25 H new ATOM 0 HG21 VAL A 29 -5.484 -8.980 -4.015 1.00 50.34 H new ATOM 0 HG22 VAL A 29 -3.823 -8.764 -3.412 1.00 50.34 H new ATOM 0 HG23 VAL A 29 -4.477 -10.402 -3.649 1.00 50.34 H new ATOM 456 N ASP A 30 -5.002 -12.273 -0.995 1.00 44.21 N ATOM 457 CA ASP A 30 -4.940 -13.741 -1.207 1.00 44.23 C ATOM 458 C ASP A 30 -4.849 -14.129 -2.714 1.00 72.40 C ATOM 459 O ASP A 30 -4.530 -15.276 -3.045 1.00 23.12 O ATOM 460 CB ASP A 30 -6.159 -14.424 -0.525 1.00 35.04 C ATOM 461 CG ASP A 30 -7.520 -13.962 -1.080 1.00 13.14 C ATOM 462 OD1 ASP A 30 -7.974 -12.862 -0.718 1.00 71.22 O ATOM 463 OD2 ASP A 30 -8.133 -14.694 -1.886 1.00 1.34 O ATOM 0 H ASP A 30 -5.924 -11.936 -0.719 1.00 44.21 H new ATOM 0 HA ASP A 30 -4.021 -14.101 -0.745 1.00 44.23 H new ATOM 0 HB2 ASP A 30 -6.074 -15.504 -0.648 1.00 35.04 H new ATOM 0 HB3 ASP A 30 -6.126 -14.221 0.545 1.00 35.04 H new ATOM 468 N ARG A 31 -5.139 -13.166 -3.612 1.00 41.22 N ATOM 469 CA ARG A 31 -5.118 -13.373 -5.089 1.00 74.31 C ATOM 470 C ARG A 31 -4.140 -12.400 -5.791 1.00 30.34 C ATOM 471 O ARG A 31 -4.328 -11.188 -5.729 1.00 20.44 O ATOM 472 CB ARG A 31 -6.549 -13.174 -5.674 1.00 61.14 C ATOM 473 CG ARG A 31 -7.571 -14.246 -5.243 1.00 5.35 C ATOM 474 CD ARG A 31 -9.002 -13.939 -5.722 1.00 4.03 C ATOM 475 NE ARG A 31 -9.938 -15.049 -5.459 1.00 11.22 N ATOM 476 CZ ARG A 31 -10.689 -15.198 -4.386 1.00 45.32 C ATOM 477 NH1 ARG A 31 -10.595 -14.398 -3.363 1.00 61.15 N ATOM 478 NH2 ARG A 31 -11.522 -16.178 -4.341 1.00 44.52 N ATOM 0 H ARG A 31 -5.396 -12.217 -3.341 1.00 41.22 H new ATOM 0 HA ARG A 31 -4.776 -14.392 -5.273 1.00 74.31 H new ATOM 0 HB2 ARG A 31 -6.919 -12.195 -5.370 1.00 61.14 H new ATOM 0 HB3 ARG A 31 -6.485 -13.167 -6.762 1.00 61.14 H new ATOM 0 HG2 ARG A 31 -7.262 -15.214 -5.637 1.00 5.35 H new ATOM 0 HG3 ARG A 31 -7.567 -14.328 -4.156 1.00 5.35 H new ATOM 0 HD2 ARG A 31 -9.363 -13.039 -5.224 1.00 4.03 H new ATOM 0 HD3 ARG A 31 -8.986 -13.728 -6.791 1.00 4.03 H new ATOM 0 HE ARG A 31 -10.011 -15.770 -6.176 1.00 11.22 H new ATOM 0 HH11 ARG A 31 -9.925 -13.629 -3.377 1.00 61.15 H new ATOM 0 HH12 ARG A 31 -11.191 -14.541 -2.548 1.00 61.15 H new ATOM 0 HH21 ARG A 31 -11.593 -16.824 -5.127 1.00 44.52 H new ATOM 0 HH22 ARG A 31 -12.111 -16.309 -3.519 1.00 44.52 H new ATOM 492 N GLU A 32 -3.123 -12.940 -6.492 1.00 43.44 N ATOM 493 CA GLU A 32 -2.261 -12.142 -7.407 1.00 31.11 C ATOM 494 C GLU A 32 -3.124 -11.433 -8.484 1.00 54.20 C ATOM 495 O GLU A 32 -2.868 -10.278 -8.862 1.00 72.22 O ATOM 496 CB GLU A 32 -1.203 -13.067 -8.079 1.00 52.35 C ATOM 497 CG GLU A 32 -0.328 -12.374 -9.144 1.00 64.40 C ATOM 498 CD GLU A 32 0.662 -13.324 -9.832 1.00 24.41 C ATOM 499 OE1 GLU A 32 1.768 -13.550 -9.297 1.00 44.34 O ATOM 500 OE2 GLU A 32 0.333 -13.853 -10.911 1.00 73.03 O ATOM 0 H GLU A 32 -2.873 -13.928 -6.446 1.00 43.44 H new ATOM 0 HA GLU A 32 -1.743 -11.378 -6.827 1.00 31.11 H new ATOM 0 HB2 GLU A 32 -0.554 -13.477 -7.305 1.00 52.35 H new ATOM 0 HB3 GLU A 32 -1.718 -13.909 -8.542 1.00 52.35 H new ATOM 0 HG2 GLU A 32 -0.974 -11.926 -9.899 1.00 64.40 H new ATOM 0 HG3 GLU A 32 0.226 -11.561 -8.675 1.00 64.40 H new ATOM 507 N ASP A 33 -4.176 -12.150 -8.918 1.00 75.10 N ATOM 508 CA ASP A 33 -5.184 -11.691 -9.894 1.00 54.44 C ATOM 509 C ASP A 33 -5.834 -10.318 -9.524 1.00 52.14 C ATOM 510 O ASP A 33 -6.274 -9.578 -10.413 1.00 35.12 O ATOM 511 CB ASP A 33 -6.265 -12.799 -10.014 1.00 34.11 C ATOM 512 CG ASP A 33 -7.319 -12.511 -11.092 1.00 74.14 C ATOM 513 OD1 ASP A 33 -6.997 -12.637 -12.292 1.00 24.30 O ATOM 514 OD2 ASP A 33 -8.468 -12.153 -10.752 1.00 72.41 O ATOM 0 H ASP A 33 -4.355 -13.098 -8.588 1.00 75.10 H new ATOM 0 HA ASP A 33 -4.685 -11.521 -10.848 1.00 54.44 H new ATOM 0 HB2 ASP A 33 -5.778 -13.748 -10.238 1.00 34.11 H new ATOM 0 HB3 ASP A 33 -6.763 -12.915 -9.052 1.00 34.11 H new ATOM 519 N ALA A 34 -5.883 -9.992 -8.213 1.00 5.11 N ATOM 520 CA ALA A 34 -6.491 -8.740 -7.697 1.00 74.24 C ATOM 521 C ALA A 34 -5.419 -7.637 -7.438 1.00 11.20 C ATOM 522 O ALA A 34 -4.639 -7.744 -6.480 1.00 14.02 O ATOM 523 CB ALA A 34 -7.290 -9.049 -6.414 1.00 3.31 C ATOM 0 H ALA A 34 -5.502 -10.590 -7.480 1.00 5.11 H new ATOM 0 HA ALA A 34 -7.167 -8.347 -8.456 1.00 74.24 H new ATOM 0 HB1 ALA A 34 -7.737 -8.131 -6.034 1.00 3.31 H new ATOM 0 HB2 ALA A 34 -8.077 -9.769 -6.640 1.00 3.31 H new ATOM 0 HB3 ALA A 34 -6.622 -9.466 -5.661 1.00 3.31 H new ATOM 529 N PRO A 35 -5.332 -6.572 -8.311 1.00 55.23 N ATOM 530 CA PRO A 35 -4.526 -5.360 -8.039 1.00 72.22 C ATOM 531 C PRO A 35 -5.345 -4.336 -7.204 1.00 11.21 C ATOM 532 O PRO A 35 -6.388 -3.851 -7.662 1.00 44.24 O ATOM 533 CB PRO A 35 -4.184 -4.817 -9.466 1.00 14.21 C ATOM 534 CG PRO A 35 -4.953 -5.686 -10.443 1.00 5.02 C ATOM 535 CD PRO A 35 -5.979 -6.456 -9.637 1.00 71.20 C ATOM 0 HA PRO A 35 -3.629 -5.557 -7.451 1.00 72.22 H new ATOM 0 HB2 PRO A 35 -4.473 -3.771 -9.564 1.00 14.21 H new ATOM 0 HB3 PRO A 35 -3.112 -4.871 -9.657 1.00 14.21 H new ATOM 0 HG2 PRO A 35 -5.439 -5.075 -11.203 1.00 5.02 H new ATOM 0 HG3 PRO A 35 -4.281 -6.368 -10.964 1.00 5.02 H new ATOM 0 HD2 PRO A 35 -6.929 -5.925 -9.579 1.00 71.20 H new ATOM 0 HD3 PRO A 35 -6.186 -7.433 -10.073 1.00 71.20 H new ATOM 543 N VAL A 36 -4.866 -4.001 -5.989 1.00 20.40 N ATOM 544 CA VAL A 36 -5.636 -3.174 -5.022 1.00 54.31 C ATOM 545 C VAL A 36 -5.770 -1.700 -5.490 1.00 3.21 C ATOM 546 O VAL A 36 -4.926 -1.187 -6.240 1.00 41.24 O ATOM 547 CB VAL A 36 -5.003 -3.225 -3.575 1.00 74.25 C ATOM 548 CG1 VAL A 36 -4.893 -4.687 -3.076 1.00 35.51 C ATOM 549 CG2 VAL A 36 -3.626 -2.509 -3.517 1.00 74.41 C ATOM 0 H VAL A 36 -3.948 -4.288 -5.648 1.00 20.40 H new ATOM 0 HA VAL A 36 -6.635 -3.608 -4.979 1.00 54.31 H new ATOM 0 HB VAL A 36 -5.672 -2.683 -2.907 1.00 74.25 H new ATOM 0 HG11 VAL A 36 -4.455 -4.699 -2.078 1.00 35.51 H new ATOM 0 HG12 VAL A 36 -5.886 -5.135 -3.042 1.00 35.51 H new ATOM 0 HG13 VAL A 36 -4.261 -5.257 -3.757 1.00 35.51 H new ATOM 0 HG21 VAL A 36 -3.227 -2.568 -2.504 1.00 74.41 H new ATOM 0 HG22 VAL A 36 -2.935 -2.992 -4.208 1.00 74.41 H new ATOM 0 HG23 VAL A 36 -3.748 -1.463 -3.798 1.00 74.41 H new ATOM 559 N ARG A 37 -6.826 -1.028 -5.013 1.00 24.04 N ATOM 560 CA ARG A 37 -7.166 0.346 -5.422 1.00 51.13 C ATOM 561 C ARG A 37 -6.574 1.335 -4.404 1.00 63.44 C ATOM 562 O ARG A 37 -7.046 1.422 -3.265 1.00 14.23 O ATOM 563 CB ARG A 37 -8.711 0.520 -5.491 1.00 52.31 C ATOM 564 CG ARG A 37 -9.451 -0.438 -6.448 1.00 30.14 C ATOM 565 CD ARG A 37 -9.083 -0.229 -7.926 1.00 72.00 C ATOM 566 NE ARG A 37 -9.870 -1.116 -8.809 1.00 42.23 N ATOM 567 CZ ARG A 37 -9.915 -1.044 -10.123 1.00 21.53 C ATOM 568 NH1 ARG A 37 -9.239 -0.148 -10.778 1.00 2.00 N ATOM 569 NH2 ARG A 37 -10.661 -1.876 -10.772 1.00 43.00 N ATOM 0 H ARG A 37 -7.473 -1.422 -4.330 1.00 24.04 H new ATOM 0 HA ARG A 37 -6.750 0.542 -6.410 1.00 51.13 H new ATOM 0 HB2 ARG A 37 -9.118 0.388 -4.488 1.00 52.31 H new ATOM 0 HB3 ARG A 37 -8.930 1.545 -5.792 1.00 52.31 H new ATOM 0 HG2 ARG A 37 -9.225 -1.467 -6.167 1.00 30.14 H new ATOM 0 HG3 ARG A 37 -10.526 -0.303 -6.326 1.00 30.14 H new ATOM 0 HD2 ARG A 37 -9.258 0.811 -8.203 1.00 72.00 H new ATOM 0 HD3 ARG A 37 -8.020 -0.422 -8.068 1.00 72.00 H new ATOM 0 HE ARG A 37 -10.425 -1.846 -8.362 1.00 42.23 H new ATOM 0 HH11 ARG A 37 -8.656 0.521 -10.274 1.00 2.00 H new ATOM 0 HH12 ARG A 37 -9.291 -0.113 -11.796 1.00 2.00 H new ATOM 0 HH21 ARG A 37 -11.204 -2.576 -10.266 1.00 43.00 H new ATOM 0 HH22 ARG A 37 -10.707 -1.833 -11.790 1.00 43.00 H new ATOM 583 N TRP A 38 -5.538 2.071 -4.823 1.00 13.40 N ATOM 584 CA TRP A 38 -4.855 3.048 -3.965 1.00 42.30 C ATOM 585 C TRP A 38 -5.597 4.400 -4.014 1.00 2.33 C ATOM 586 O TRP A 38 -5.787 4.970 -5.088 1.00 33.23 O ATOM 587 CB TRP A 38 -3.371 3.210 -4.400 1.00 22.24 C ATOM 588 CG TRP A 38 -2.489 2.033 -4.046 1.00 35.22 C ATOM 589 CD1 TRP A 38 -2.135 0.978 -4.843 1.00 44.43 C ATOM 590 CD2 TRP A 38 -1.858 1.805 -2.777 1.00 40.24 C ATOM 591 NE1 TRP A 38 -1.314 0.120 -4.150 1.00 62.32 N ATOM 592 CE2 TRP A 38 -1.133 0.606 -2.878 1.00 34.02 C ATOM 593 CE3 TRP A 38 -1.829 2.511 -1.568 1.00 62.02 C ATOM 594 CZ2 TRP A 38 -0.400 0.090 -1.816 1.00 63.30 C ATOM 595 CZ3 TRP A 38 -1.099 1.999 -0.514 1.00 62.35 C ATOM 596 CH2 TRP A 38 -0.388 0.798 -0.647 1.00 44.12 C ATOM 0 H TRP A 38 -5.150 2.007 -5.764 1.00 13.40 H new ATOM 0 HA TRP A 38 -4.865 2.686 -2.937 1.00 42.30 H new ATOM 0 HB2 TRP A 38 -3.335 3.365 -5.478 1.00 22.24 H new ATOM 0 HB3 TRP A 38 -2.964 4.108 -3.935 1.00 22.24 H new ATOM 0 HD1 TRP A 38 -2.454 0.840 -5.866 1.00 44.43 H new ATOM 0 HE1 TRP A 38 -0.906 -0.738 -4.520 1.00 62.32 H new ATOM 0 HE3 TRP A 38 -2.369 3.440 -1.462 1.00 62.02 H new ATOM 0 HZ2 TRP A 38 0.142 -0.839 -1.911 1.00 63.30 H new ATOM 0 HZ3 TRP A 38 -1.075 2.531 0.426 1.00 62.35 H new ATOM 0 HH2 TRP A 38 0.181 0.425 0.192 1.00 44.12 H new ATOM 607 N TYR A 39 -6.055 4.872 -2.841 1.00 23.32 N ATOM 608 CA TYR A 39 -6.766 6.163 -2.699 1.00 1.40 C ATOM 609 C TYR A 39 -6.004 7.128 -1.781 1.00 13.51 C ATOM 610 O TYR A 39 -5.453 6.735 -0.759 1.00 64.24 O ATOM 611 CB TYR A 39 -8.207 5.965 -2.153 1.00 31.23 C ATOM 612 CG TYR A 39 -9.144 5.231 -3.116 1.00 54.20 C ATOM 613 CD1 TYR A 39 -9.723 5.896 -4.200 1.00 22.35 C ATOM 614 CD2 TYR A 39 -9.433 3.875 -2.961 1.00 5.22 C ATOM 615 CE1 TYR A 39 -10.555 5.238 -5.084 1.00 0.55 C ATOM 616 CE2 TYR A 39 -10.263 3.216 -3.847 1.00 25.55 C ATOM 617 CZ TYR A 39 -10.818 3.900 -4.905 1.00 22.45 C ATOM 618 OH TYR A 39 -11.638 3.241 -5.798 1.00 23.02 O ATOM 0 H TYR A 39 -5.944 4.370 -1.960 1.00 23.32 H new ATOM 0 HA TYR A 39 -6.824 6.596 -3.698 1.00 1.40 H new ATOM 0 HB2 TYR A 39 -8.156 5.408 -1.217 1.00 31.23 H new ATOM 0 HB3 TYR A 39 -8.634 6.941 -1.921 1.00 31.23 H new ATOM 0 HD1 TYR A 39 -9.516 6.945 -4.349 1.00 22.35 H new ATOM 0 HD2 TYR A 39 -9.000 3.331 -2.134 1.00 5.22 H new ATOM 0 HE1 TYR A 39 -10.997 5.772 -5.912 1.00 0.55 H new ATOM 0 HE2 TYR A 39 -10.476 2.166 -3.710 1.00 25.55 H new ATOM 0 HH TYR A 39 -11.723 2.301 -5.532 1.00 23.02 H new ATOM 628 N LYS A 40 -5.966 8.386 -2.203 1.00 72.11 N ATOM 629 CA LYS A 40 -5.566 9.533 -1.379 1.00 41.05 C ATOM 630 C LYS A 40 -6.856 10.153 -0.754 1.00 13.13 C ATOM 631 O LYS A 40 -7.977 9.727 -1.082 1.00 51.14 O ATOM 632 CB LYS A 40 -4.806 10.534 -2.307 1.00 34.31 C ATOM 633 CG LYS A 40 -4.228 11.796 -1.639 1.00 12.41 C ATOM 634 CD LYS A 40 -3.157 11.482 -0.577 1.00 54.11 C ATOM 635 CE LYS A 40 -2.548 12.745 0.028 1.00 54.34 C ATOM 636 NZ LYS A 40 -1.855 13.579 -0.990 1.00 63.10 N ATOM 0 H LYS A 40 -6.219 8.650 -3.155 1.00 72.11 H new ATOM 0 HA LYS A 40 -4.902 9.255 -0.560 1.00 41.05 H new ATOM 0 HB2 LYS A 40 -3.987 9.998 -2.787 1.00 34.31 H new ATOM 0 HB3 LYS A 40 -5.487 10.849 -3.097 1.00 34.31 H new ATOM 0 HG2 LYS A 40 -3.794 12.439 -2.405 1.00 12.41 H new ATOM 0 HG3 LYS A 40 -5.039 12.357 -1.174 1.00 12.41 H new ATOM 0 HD2 LYS A 40 -3.601 10.881 0.216 1.00 54.11 H new ATOM 0 HD3 LYS A 40 -2.367 10.881 -1.028 1.00 54.11 H new ATOM 0 HE2 LYS A 40 -3.333 13.333 0.503 1.00 54.34 H new ATOM 0 HE3 LYS A 40 -1.841 12.467 0.809 1.00 54.34 H new ATOM 0 HZ1 LYS A 40 -1.487 14.441 -0.540 1.00 63.10 H new ATOM 0 HZ2 LYS A 40 -1.067 13.040 -1.402 1.00 63.10 H new ATOM 0 HZ3 LYS A 40 -2.526 13.840 -1.741 1.00 63.10 H new ATOM 650 N ASP A 41 -6.707 11.109 0.171 1.00 62.51 N ATOM 651 CA ASP A 41 -7.858 11.861 0.708 1.00 71.24 C ATOM 652 C ASP A 41 -8.617 12.613 -0.433 1.00 41.03 C ATOM 653 O ASP A 41 -8.092 13.560 -1.022 1.00 22.33 O ATOM 654 CB ASP A 41 -7.391 12.846 1.800 1.00 0.50 C ATOM 655 CG ASP A 41 -8.561 13.571 2.483 1.00 13.12 C ATOM 656 OD1 ASP A 41 -9.217 12.965 3.357 1.00 45.13 O ATOM 657 OD2 ASP A 41 -8.839 14.738 2.144 1.00 72.35 O ATOM 0 H ASP A 41 -5.807 11.383 0.565 1.00 62.51 H new ATOM 0 HA ASP A 41 -8.553 11.151 1.157 1.00 71.24 H new ATOM 0 HB2 ASP A 41 -6.816 12.304 2.551 1.00 0.50 H new ATOM 0 HB3 ASP A 41 -6.721 13.583 1.357 1.00 0.50 H new ATOM 662 N GLY A 42 -9.832 12.123 -0.760 1.00 11.43 N ATOM 663 CA GLY A 42 -10.714 12.748 -1.771 1.00 40.10 C ATOM 664 C GLY A 42 -10.565 12.169 -3.189 1.00 45.21 C ATOM 665 O GLY A 42 -11.561 11.893 -3.869 1.00 31.34 O ATOM 0 H GLY A 42 -10.229 11.286 -0.333 1.00 11.43 H new ATOM 0 HA2 GLY A 42 -11.750 12.634 -1.452 1.00 40.10 H new ATOM 0 HA3 GLY A 42 -10.507 13.818 -1.805 1.00 40.10 H new ATOM 669 N GLN A 43 -9.315 11.956 -3.621 1.00 33.54 N ATOM 670 CA GLN A 43 -8.971 11.511 -4.999 1.00 31.33 C ATOM 671 C GLN A 43 -8.178 10.189 -4.943 1.00 24.12 C ATOM 672 O GLN A 43 -7.606 9.867 -3.913 1.00 74.41 O ATOM 673 CB GLN A 43 -8.138 12.623 -5.702 1.00 64.31 C ATOM 674 CG GLN A 43 -6.802 12.974 -5.002 1.00 10.55 C ATOM 675 CD GLN A 43 -6.069 14.155 -5.647 1.00 60.05 C ATOM 676 OE1 GLN A 43 -6.260 15.306 -5.270 1.00 33.30 O ATOM 677 NE2 GLN A 43 -5.235 13.879 -6.627 1.00 74.14 N ATOM 0 H GLN A 43 -8.497 12.086 -3.025 1.00 33.54 H new ATOM 0 HA GLN A 43 -9.884 11.337 -5.569 1.00 31.33 H new ATOM 0 HB2 GLN A 43 -7.925 12.307 -6.723 1.00 64.31 H new ATOM 0 HB3 GLN A 43 -8.746 13.526 -5.768 1.00 64.31 H new ATOM 0 HG2 GLN A 43 -6.999 13.206 -3.955 1.00 10.55 H new ATOM 0 HG3 GLN A 43 -6.151 12.100 -5.018 1.00 10.55 H new ATOM 0 HE21 GLN A 43 -5.095 12.912 -6.921 1.00 74.14 H new ATOM 0 HE22 GLN A 43 -4.729 14.632 -7.093 1.00 74.14 H new ATOM 686 N GLU A 44 -8.152 9.414 -6.039 1.00 41.00 N ATOM 687 CA GLU A 44 -7.343 8.176 -6.089 1.00 1.33 C ATOM 688 C GLU A 44 -5.866 8.488 -6.416 1.00 31.40 C ATOM 689 O GLU A 44 -5.557 9.503 -7.049 1.00 65.10 O ATOM 690 CB GLU A 44 -7.931 7.158 -7.100 1.00 52.14 C ATOM 691 CG GLU A 44 -7.833 7.567 -8.580 1.00 31.04 C ATOM 692 CD GLU A 44 -8.493 6.548 -9.515 1.00 0.51 C ATOM 693 OE1 GLU A 44 -7.904 5.467 -9.728 1.00 62.30 O ATOM 694 OE2 GLU A 44 -9.610 6.810 -10.014 1.00 44.12 O ATOM 0 H GLU A 44 -8.672 9.615 -6.893 1.00 41.00 H new ATOM 0 HA GLU A 44 -7.379 7.720 -5.099 1.00 1.33 H new ATOM 0 HB2 GLU A 44 -7.419 6.205 -6.969 1.00 52.14 H new ATOM 0 HB3 GLU A 44 -8.980 6.993 -6.855 1.00 52.14 H new ATOM 0 HG2 GLU A 44 -8.305 8.540 -8.717 1.00 31.04 H new ATOM 0 HG3 GLU A 44 -6.784 7.680 -8.854 1.00 31.04 H new ATOM 701 N VAL A 45 -4.963 7.612 -5.957 1.00 12.11 N ATOM 702 CA VAL A 45 -3.518 7.732 -6.216 1.00 65.04 C ATOM 703 C VAL A 45 -3.202 7.379 -7.689 1.00 42.34 C ATOM 704 O VAL A 45 -3.300 6.212 -8.102 1.00 63.01 O ATOM 705 CB VAL A 45 -2.685 6.823 -5.241 1.00 61.32 C ATOM 706 CG1 VAL A 45 -1.172 6.844 -5.576 1.00 74.12 C ATOM 707 CG2 VAL A 45 -2.935 7.228 -3.767 1.00 42.53 C ATOM 0 H VAL A 45 -5.212 6.798 -5.395 1.00 12.11 H new ATOM 0 HA VAL A 45 -3.230 8.767 -6.034 1.00 65.04 H new ATOM 0 HB VAL A 45 -3.027 5.797 -5.379 1.00 61.32 H new ATOM 0 HG11 VAL A 45 -0.636 6.202 -4.877 1.00 74.12 H new ATOM 0 HG12 VAL A 45 -1.019 6.481 -6.592 1.00 74.12 H new ATOM 0 HG13 VAL A 45 -0.795 7.864 -5.495 1.00 74.12 H new ATOM 0 HG21 VAL A 45 -2.349 6.586 -3.109 1.00 42.53 H new ATOM 0 HG22 VAL A 45 -2.638 8.266 -3.620 1.00 42.53 H new ATOM 0 HG23 VAL A 45 -3.994 7.117 -3.534 1.00 42.53 H new ATOM 717 N GLU A 46 -2.868 8.412 -8.473 1.00 14.33 N ATOM 718 CA GLU A 46 -2.434 8.271 -9.873 1.00 72.22 C ATOM 719 C GLU A 46 -0.901 8.367 -9.960 1.00 31.34 C ATOM 720 O GLU A 46 -0.285 9.168 -9.241 1.00 44.04 O ATOM 721 CB GLU A 46 -3.092 9.367 -10.747 1.00 44.45 C ATOM 722 CG GLU A 46 -4.633 9.311 -10.769 1.00 54.14 C ATOM 723 CD GLU A 46 -5.262 10.479 -11.540 1.00 62.53 C ATOM 724 OE1 GLU A 46 -5.261 10.450 -12.788 1.00 3.31 O ATOM 725 OE2 GLU A 46 -5.751 11.435 -10.903 1.00 63.22 O ATOM 0 H GLU A 46 -2.891 9.380 -8.152 1.00 14.33 H new ATOM 0 HA GLU A 46 -2.746 7.295 -10.245 1.00 72.22 H new ATOM 0 HB2 GLU A 46 -2.779 10.345 -10.381 1.00 44.45 H new ATOM 0 HB3 GLU A 46 -2.721 9.275 -11.768 1.00 44.45 H new ATOM 0 HG2 GLU A 46 -4.951 8.371 -11.220 1.00 54.14 H new ATOM 0 HG3 GLU A 46 -5.006 9.315 -9.745 1.00 54.14 H new ATOM 732 N GLU A 47 -0.291 7.556 -10.836 1.00 53.14 N ATOM 733 CA GLU A 47 1.166 7.563 -11.046 1.00 63.13 C ATOM 734 C GLU A 47 1.617 8.824 -11.833 1.00 24.40 C ATOM 735 O GLU A 47 0.915 9.306 -12.726 1.00 61.32 O ATOM 736 CB GLU A 47 1.612 6.273 -11.769 1.00 0.31 C ATOM 737 CG GLU A 47 1.306 4.976 -10.993 1.00 31.25 C ATOM 738 CD GLU A 47 1.851 3.720 -11.690 1.00 72.10 C ATOM 739 OE1 GLU A 47 1.189 3.203 -12.613 1.00 63.34 O ATOM 740 OE2 GLU A 47 2.955 3.258 -11.331 1.00 14.44 O ATOM 0 H GLU A 47 -0.789 6.880 -11.416 1.00 53.14 H new ATOM 0 HA GLU A 47 1.648 7.596 -10.069 1.00 63.13 H new ATOM 0 HB2 GLU A 47 1.121 6.226 -12.741 1.00 0.31 H new ATOM 0 HB3 GLU A 47 2.684 6.327 -11.956 1.00 0.31 H new ATOM 0 HG2 GLU A 47 1.736 5.046 -9.994 1.00 31.25 H new ATOM 0 HG3 GLU A 47 0.227 4.878 -10.870 1.00 31.25 H new ATOM 747 N SER A 48 2.810 9.320 -11.484 1.00 61.32 N ATOM 748 CA SER A 48 3.369 10.591 -11.985 1.00 54.32 C ATOM 749 C SER A 48 4.905 10.613 -11.756 1.00 72.51 C ATOM 750 O SER A 48 5.514 9.573 -11.486 1.00 31.43 O ATOM 751 CB SER A 48 2.672 11.781 -11.258 1.00 53.43 C ATOM 752 OG SER A 48 3.071 13.038 -11.784 1.00 45.45 O ATOM 0 H SER A 48 3.431 8.842 -10.831 1.00 61.32 H new ATOM 0 HA SER A 48 3.186 10.685 -13.055 1.00 54.32 H new ATOM 0 HB2 SER A 48 1.591 11.677 -11.349 1.00 53.43 H new ATOM 0 HB3 SER A 48 2.907 11.743 -10.194 1.00 53.43 H new ATOM 0 HG SER A 48 2.610 13.756 -11.302 1.00 45.45 H new ATOM 758 N ASP A 49 5.529 11.791 -11.889 1.00 44.51 N ATOM 759 CA ASP A 49 6.951 12.003 -11.538 1.00 31.34 C ATOM 760 C ASP A 49 7.174 11.846 -10.014 1.00 32.24 C ATOM 761 O ASP A 49 8.165 11.262 -9.569 1.00 32.20 O ATOM 762 CB ASP A 49 7.378 13.415 -11.998 1.00 13.51 C ATOM 763 CG ASP A 49 7.144 13.636 -13.503 1.00 13.04 C ATOM 764 OD1 ASP A 49 5.997 13.957 -13.898 1.00 31.32 O ATOM 765 OD2 ASP A 49 8.087 13.460 -14.299 1.00 42.44 O ATOM 0 H ASP A 49 5.067 12.629 -12.243 1.00 44.51 H new ATOM 0 HA ASP A 49 7.558 11.251 -12.043 1.00 31.34 H new ATOM 0 HB2 ASP A 49 6.821 14.162 -11.433 1.00 13.51 H new ATOM 0 HB3 ASP A 49 8.434 13.565 -11.771 1.00 13.51 H new ATOM 770 N PHE A 50 6.216 12.367 -9.230 1.00 72.21 N ATOM 771 CA PHE A 50 6.276 12.369 -7.748 1.00 1.24 C ATOM 772 C PHE A 50 5.639 11.098 -7.124 1.00 13.23 C ATOM 773 O PHE A 50 5.722 10.900 -5.914 1.00 61.12 O ATOM 774 CB PHE A 50 5.573 13.640 -7.194 1.00 42.11 C ATOM 775 CG PHE A 50 6.204 14.957 -7.661 1.00 63.44 C ATOM 776 CD1 PHE A 50 5.843 15.529 -8.883 1.00 72.22 C ATOM 777 CD2 PHE A 50 7.175 15.608 -6.894 1.00 32.11 C ATOM 778 CE1 PHE A 50 6.424 16.709 -9.319 1.00 34.00 C ATOM 779 CE2 PHE A 50 7.760 16.784 -7.336 1.00 43.14 C ATOM 780 CZ PHE A 50 7.384 17.333 -8.547 1.00 53.14 C ATOM 0 H PHE A 50 5.372 12.802 -9.602 1.00 72.21 H new ATOM 0 HA PHE A 50 7.329 12.372 -7.467 1.00 1.24 H new ATOM 0 HB2 PHE A 50 4.526 13.624 -7.496 1.00 42.11 H new ATOM 0 HB3 PHE A 50 5.591 13.607 -6.105 1.00 42.11 H new ATOM 0 HD1 PHE A 50 5.099 15.044 -9.498 1.00 72.22 H new ATOM 0 HD2 PHE A 50 7.473 15.189 -5.944 1.00 32.11 H new ATOM 0 HE1 PHE A 50 6.126 17.141 -10.263 1.00 34.00 H new ATOM 0 HE2 PHE A 50 8.511 17.272 -6.733 1.00 43.14 H new ATOM 0 HZ PHE A 50 7.841 18.250 -8.890 1.00 53.14 H new ATOM 790 N VAL A 51 4.987 10.244 -7.948 1.00 12.15 N ATOM 791 CA VAL A 51 4.276 9.025 -7.464 1.00 21.34 C ATOM 792 C VAL A 51 4.621 7.801 -8.347 1.00 61.35 C ATOM 793 O VAL A 51 4.408 7.841 -9.550 1.00 34.31 O ATOM 794 CB VAL A 51 2.704 9.212 -7.477 1.00 44.15 C ATOM 795 CG1 VAL A 51 1.990 7.971 -6.882 1.00 63.03 C ATOM 796 CG2 VAL A 51 2.258 10.513 -6.759 1.00 40.32 C ATOM 0 H VAL A 51 4.936 10.374 -8.958 1.00 12.15 H new ATOM 0 HA VAL A 51 4.609 8.861 -6.439 1.00 21.34 H new ATOM 0 HB VAL A 51 2.405 9.310 -8.521 1.00 44.15 H new ATOM 0 HG11 VAL A 51 0.911 8.127 -6.903 1.00 63.03 H new ATOM 0 HG12 VAL A 51 2.241 7.089 -7.472 1.00 63.03 H new ATOM 0 HG13 VAL A 51 2.315 7.823 -5.852 1.00 63.03 H new ATOM 0 HG21 VAL A 51 1.172 10.595 -6.796 1.00 40.32 H new ATOM 0 HG22 VAL A 51 2.585 10.485 -5.720 1.00 40.32 H new ATOM 0 HG23 VAL A 51 2.703 11.374 -7.257 1.00 40.32 H new ATOM 806 N VAL A 52 5.134 6.709 -7.752 1.00 12.14 N ATOM 807 CA VAL A 52 5.389 5.439 -8.484 1.00 51.41 C ATOM 808 C VAL A 52 4.850 4.227 -7.677 1.00 52.33 C ATOM 809 O VAL A 52 5.134 4.082 -6.487 1.00 31.21 O ATOM 810 CB VAL A 52 6.924 5.244 -8.838 1.00 11.12 C ATOM 811 CG1 VAL A 52 7.393 6.270 -9.906 1.00 15.53 C ATOM 812 CG2 VAL A 52 7.823 5.310 -7.575 1.00 41.51 C ATOM 0 H VAL A 52 5.383 6.673 -6.764 1.00 12.14 H new ATOM 0 HA VAL A 52 4.851 5.499 -9.430 1.00 51.41 H new ATOM 0 HB VAL A 52 7.028 4.245 -9.261 1.00 11.12 H new ATOM 0 HG11 VAL A 52 8.448 6.109 -10.126 1.00 15.53 H new ATOM 0 HG12 VAL A 52 6.809 6.140 -10.817 1.00 15.53 H new ATOM 0 HG13 VAL A 52 7.251 7.282 -9.526 1.00 15.53 H new ATOM 0 HG21 VAL A 52 8.865 5.172 -7.863 1.00 41.51 H new ATOM 0 HG22 VAL A 52 7.705 6.281 -7.095 1.00 41.51 H new ATOM 0 HG23 VAL A 52 7.531 4.523 -6.879 1.00 41.51 H new ATOM 822 N LEU A 53 4.027 3.380 -8.324 1.00 62.53 N ATOM 823 CA LEU A 53 3.514 2.136 -7.708 1.00 43.03 C ATOM 824 C LEU A 53 4.484 0.961 -7.991 1.00 14.34 C ATOM 825 O LEU A 53 4.885 0.744 -9.135 1.00 13.21 O ATOM 826 CB LEU A 53 2.080 1.800 -8.220 1.00 14.25 C ATOM 827 CG LEU A 53 0.969 2.856 -7.888 1.00 51.41 C ATOM 828 CD1 LEU A 53 -0.400 2.447 -8.483 1.00 12.54 C ATOM 829 CD2 LEU A 53 0.861 3.121 -6.366 1.00 12.23 C ATOM 0 H LEU A 53 3.700 3.534 -9.278 1.00 62.53 H new ATOM 0 HA LEU A 53 3.453 2.291 -6.631 1.00 43.03 H new ATOM 0 HB2 LEU A 53 2.122 1.673 -9.302 1.00 14.25 H new ATOM 0 HB3 LEU A 53 1.780 0.841 -7.798 1.00 14.25 H new ATOM 0 HG LEU A 53 1.269 3.792 -8.360 1.00 51.41 H new ATOM 0 HD11 LEU A 53 -1.146 3.202 -8.233 1.00 12.54 H new ATOM 0 HD12 LEU A 53 -0.316 2.365 -9.567 1.00 12.54 H new ATOM 0 HD13 LEU A 53 -0.704 1.486 -8.069 1.00 12.54 H new ATOM 0 HD21 LEU A 53 0.080 3.858 -6.180 1.00 12.23 H new ATOM 0 HD22 LEU A 53 0.614 2.192 -5.852 1.00 12.23 H new ATOM 0 HD23 LEU A 53 1.813 3.499 -5.994 1.00 12.23 H new ATOM 841 N GLU A 54 4.850 0.211 -6.944 1.00 15.04 N ATOM 842 CA GLU A 54 5.773 -0.945 -7.056 1.00 41.44 C ATOM 843 C GLU A 54 4.929 -2.252 -7.144 1.00 25.42 C ATOM 844 O GLU A 54 3.822 -2.318 -6.608 1.00 34.21 O ATOM 845 CB GLU A 54 6.749 -0.931 -5.829 1.00 33.23 C ATOM 846 CG GLU A 54 8.170 -1.488 -6.065 1.00 10.41 C ATOM 847 CD GLU A 54 8.217 -2.987 -6.393 1.00 22.43 C ATOM 848 OE1 GLU A 54 8.008 -3.804 -5.476 1.00 71.12 O ATOM 849 OE2 GLU A 54 8.457 -3.352 -7.570 1.00 5.23 O ATOM 0 H GLU A 54 4.520 0.381 -5.994 1.00 15.04 H new ATOM 0 HA GLU A 54 6.382 -0.888 -7.958 1.00 41.44 H new ATOM 0 HB2 GLU A 54 6.841 0.097 -5.479 1.00 33.23 H new ATOM 0 HB3 GLU A 54 6.289 -1.502 -5.022 1.00 33.23 H new ATOM 0 HG2 GLU A 54 8.633 -0.935 -6.882 1.00 10.41 H new ATOM 0 HG3 GLU A 54 8.772 -1.304 -5.175 1.00 10.41 H new ATOM 856 N ASN A 55 5.450 -3.282 -7.838 1.00 65.32 N ATOM 857 CA ASN A 55 4.693 -4.527 -8.138 1.00 20.44 C ATOM 858 C ASN A 55 5.541 -5.801 -7.879 1.00 33.24 C ATOM 859 O ASN A 55 6.713 -5.858 -8.255 1.00 30.24 O ATOM 860 CB ASN A 55 4.177 -4.491 -9.611 1.00 20.21 C ATOM 861 CG ASN A 55 5.270 -4.477 -10.707 1.00 74.33 C ATOM 862 OD1 ASN A 55 6.381 -3.797 -10.486 1.00 73.22 O flip ATOM 863 ND2 ASN A 55 5.092 -5.048 -11.777 1.00 21.43 N flip ATOM 0 H ASN A 55 6.401 -3.282 -8.207 1.00 65.32 H new ATOM 0 HA ASN A 55 3.840 -4.573 -7.461 1.00 20.44 H new ATOM 0 HB2 ASN A 55 3.537 -5.358 -9.773 1.00 20.21 H new ATOM 0 HB3 ASN A 55 3.552 -3.606 -9.736 1.00 20.21 H new ATOM 0 HD21 ASN A 55 4.231 -5.571 -11.939 1.00 21.43 H new ATOM 0 HD22 ASN A 55 5.805 -5.000 -12.505 1.00 21.43 H new ATOM 870 N GLU A 56 4.929 -6.809 -7.221 1.00 13.51 N ATOM 871 CA GLU A 56 5.545 -8.145 -7.016 1.00 44.50 C ATOM 872 C GLU A 56 4.455 -9.188 -6.653 1.00 72.01 C ATOM 873 O GLU A 56 4.196 -9.463 -5.472 1.00 22.40 O ATOM 874 CB GLU A 56 6.655 -8.107 -5.919 1.00 24.41 C ATOM 875 CG GLU A 56 7.497 -9.406 -5.825 1.00 12.31 C ATOM 876 CD GLU A 56 8.498 -9.438 -4.655 1.00 44.31 C ATOM 877 OE1 GLU A 56 9.088 -8.392 -4.320 1.00 63.03 O ATOM 878 OE2 GLU A 56 8.691 -10.517 -4.052 1.00 51.04 O ATOM 0 H GLU A 56 3.996 -6.724 -6.817 1.00 13.51 H new ATOM 0 HA GLU A 56 6.021 -8.440 -7.951 1.00 44.50 H new ATOM 0 HB2 GLU A 56 7.322 -7.269 -6.121 1.00 24.41 H new ATOM 0 HB3 GLU A 56 6.189 -7.918 -4.952 1.00 24.41 H new ATOM 0 HG2 GLU A 56 6.821 -10.256 -5.731 1.00 12.31 H new ATOM 0 HG3 GLU A 56 8.045 -9.537 -6.758 1.00 12.31 H new ATOM 885 N GLY A 57 3.790 -9.724 -7.689 1.00 51.45 N ATOM 886 CA GLY A 57 2.732 -10.728 -7.525 1.00 24.10 C ATOM 887 C GLY A 57 1.479 -10.202 -6.804 1.00 34.10 C ATOM 888 O GLY A 57 0.867 -9.236 -7.277 1.00 73.42 O ATOM 0 H GLY A 57 3.972 -9.473 -8.661 1.00 51.45 H new ATOM 0 HA2 GLY A 57 2.444 -11.101 -8.508 1.00 24.10 H new ATOM 0 HA3 GLY A 57 3.132 -11.575 -6.967 1.00 24.10 H new ATOM 892 N PRO A 58 1.053 -10.826 -5.648 1.00 33.13 N ATOM 893 CA PRO A 58 -0.071 -10.305 -4.816 1.00 24.31 C ATOM 894 C PRO A 58 0.255 -8.948 -4.137 1.00 15.52 C ATOM 895 O PRO A 58 -0.652 -8.241 -3.669 1.00 50.02 O ATOM 896 CB PRO A 58 -0.297 -11.424 -3.758 1.00 52.24 C ATOM 897 CG PRO A 58 0.417 -12.629 -4.298 1.00 44.13 C ATOM 898 CD PRO A 58 1.591 -12.090 -5.081 1.00 44.42 C ATOM 0 HA PRO A 58 -0.954 -10.096 -5.420 1.00 24.31 H new ATOM 0 HB2 PRO A 58 0.102 -11.133 -2.786 1.00 52.24 H new ATOM 0 HB3 PRO A 58 -1.359 -11.625 -3.619 1.00 52.24 H new ATOM 0 HG2 PRO A 58 0.751 -13.281 -3.491 1.00 44.13 H new ATOM 0 HG3 PRO A 58 -0.240 -13.221 -4.935 1.00 44.13 H new ATOM 0 HD2 PRO A 58 2.456 -11.911 -4.442 1.00 44.42 H new ATOM 0 HD3 PRO A 58 1.909 -12.781 -5.862 1.00 44.42 H new ATOM 906 N HIS A 59 1.561 -8.600 -4.093 1.00 62.35 N ATOM 907 CA HIS A 59 2.051 -7.361 -3.459 1.00 15.01 C ATOM 908 C HIS A 59 1.941 -6.151 -4.416 1.00 71.50 C ATOM 909 O HIS A 59 2.552 -6.138 -5.490 1.00 24.32 O ATOM 910 CB HIS A 59 3.521 -7.516 -3.009 1.00 12.13 C ATOM 911 CG HIS A 59 3.750 -8.578 -1.976 1.00 31.44 C ATOM 912 ND1 HIS A 59 3.847 -8.297 -0.635 1.00 21.13 N ATOM 913 CD2 HIS A 59 3.961 -9.909 -2.094 1.00 42.41 C ATOM 914 CE1 HIS A 59 4.116 -9.394 0.027 1.00 24.41 C ATOM 915 NE2 HIS A 59 4.189 -10.392 -0.830 1.00 15.24 N ATOM 0 H HIS A 59 2.303 -9.172 -4.497 1.00 62.35 H new ATOM 0 HA HIS A 59 1.421 -7.180 -2.588 1.00 15.01 H new ATOM 0 HB2 HIS A 59 4.133 -7.740 -3.883 1.00 12.13 H new ATOM 0 HB3 HIS A 59 3.868 -6.562 -2.613 1.00 12.13 H new ATOM 0 HD2 HIS A 59 3.952 -10.482 -3.009 1.00 42.41 H new ATOM 0 HE1 HIS A 59 4.255 -9.468 1.095 1.00 24.41 H new ATOM 0 HE2 HIS A 59 4.383 -11.365 -0.593 1.00 15.24 H new ATOM 924 N ARG A 60 1.125 -5.166 -4.022 1.00 12.13 N ATOM 925 CA ARG A 60 1.042 -3.846 -4.670 1.00 74.43 C ATOM 926 C ARG A 60 1.501 -2.785 -3.641 1.00 34.54 C ATOM 927 O ARG A 60 0.974 -2.742 -2.526 1.00 11.13 O ATOM 928 CB ARG A 60 -0.418 -3.560 -5.135 1.00 34.33 C ATOM 929 CG ARG A 60 -1.089 -4.713 -5.920 1.00 54.14 C ATOM 930 CD ARG A 60 -0.354 -5.071 -7.224 1.00 43.35 C ATOM 931 NE ARG A 60 -0.900 -6.294 -7.845 1.00 60.31 N ATOM 932 CZ ARG A 60 -0.458 -6.850 -8.957 1.00 72.42 C ATOM 933 NH1 ARG A 60 0.537 -6.341 -9.624 1.00 63.23 N ATOM 934 NH2 ARG A 60 -1.014 -7.934 -9.388 1.00 2.44 N ATOM 0 H ARG A 60 0.491 -5.263 -3.229 1.00 12.13 H new ATOM 0 HA ARG A 60 1.681 -3.816 -5.553 1.00 74.43 H new ATOM 0 HB2 ARG A 60 -1.026 -3.335 -4.259 1.00 34.33 H new ATOM 0 HB3 ARG A 60 -0.417 -2.667 -5.760 1.00 34.33 H new ATOM 0 HG2 ARG A 60 -1.137 -5.597 -5.284 1.00 54.14 H new ATOM 0 HG3 ARG A 60 -2.116 -4.434 -6.155 1.00 54.14 H new ATOM 0 HD2 ARG A 60 -0.434 -4.241 -7.926 1.00 43.35 H new ATOM 0 HD3 ARG A 60 0.707 -5.212 -7.016 1.00 43.35 H new ATOM 0 HE ARG A 60 -1.684 -6.747 -7.375 1.00 60.31 H new ATOM 0 HH11 ARG A 60 0.994 -5.493 -9.290 1.00 63.23 H new ATOM 0 HH12 ARG A 60 0.860 -6.790 -10.481 1.00 63.23 H new ATOM 0 HH21 ARG A 60 -1.787 -8.352 -8.870 1.00 2.44 H new ATOM 0 HH22 ARG A 60 -0.680 -8.372 -10.247 1.00 2.44 H new ATOM 948 N ARG A 61 2.495 -1.962 -4.007 1.00 0.34 N ATOM 949 CA ARG A 61 3.072 -0.935 -3.110 1.00 45.32 C ATOM 950 C ARG A 61 2.880 0.486 -3.685 1.00 12.41 C ATOM 951 O ARG A 61 2.744 0.664 -4.892 1.00 21.40 O ATOM 952 CB ARG A 61 4.591 -1.185 -2.880 1.00 4.42 C ATOM 953 CG ARG A 61 4.962 -2.555 -2.267 1.00 31.11 C ATOM 954 CD ARG A 61 6.488 -2.719 -2.092 1.00 61.43 C ATOM 955 NE ARG A 61 6.869 -4.053 -1.575 1.00 53.22 N ATOM 956 CZ ARG A 61 7.798 -4.282 -0.664 1.00 32.23 C ATOM 957 NH1 ARG A 61 8.343 -3.315 -0.006 1.00 72.44 N ATOM 958 NH2 ARG A 61 8.157 -5.491 -0.399 1.00 14.14 N ATOM 0 H ARG A 61 2.925 -1.985 -4.932 1.00 0.34 H new ATOM 0 HA ARG A 61 2.543 -1.010 -2.160 1.00 45.32 H new ATOM 0 HB2 ARG A 61 5.105 -1.085 -3.836 1.00 4.42 H new ATOM 0 HB3 ARG A 61 4.974 -0.400 -2.228 1.00 4.42 H new ATOM 0 HG2 ARG A 61 4.473 -2.663 -1.299 1.00 31.11 H new ATOM 0 HG3 ARG A 61 4.583 -3.352 -2.906 1.00 31.11 H new ATOM 0 HD2 ARG A 61 6.978 -2.553 -3.051 1.00 61.43 H new ATOM 0 HD3 ARG A 61 6.855 -1.952 -1.410 1.00 61.43 H new ATOM 0 HE ARG A 61 6.374 -4.861 -1.953 1.00 53.22 H new ATOM 0 HH11 ARG A 61 8.058 -2.352 -0.185 1.00 72.44 H new ATOM 0 HH12 ARG A 61 9.059 -3.514 0.693 1.00 72.44 H new ATOM 0 HH21 ARG A 61 7.724 -6.271 -0.893 1.00 14.14 H new ATOM 0 HH22 ARG A 61 8.874 -5.667 0.304 1.00 14.14 H new ATOM 972 N LEU A 62 2.872 1.475 -2.781 1.00 24.53 N ATOM 973 CA LEU A 62 2.915 2.912 -3.113 1.00 41.04 C ATOM 974 C LEU A 62 4.270 3.467 -2.634 1.00 15.35 C ATOM 975 O LEU A 62 4.531 3.510 -1.430 1.00 60.00 O ATOM 976 CB LEU A 62 1.725 3.647 -2.417 1.00 54.00 C ATOM 977 CG LEU A 62 1.291 5.062 -2.960 1.00 75.03 C ATOM 978 CD1 LEU A 62 0.018 5.546 -2.239 1.00 31.22 C ATOM 979 CD2 LEU A 62 2.401 6.142 -2.859 1.00 74.35 C ATOM 0 H LEU A 62 2.835 1.298 -1.777 1.00 24.53 H new ATOM 0 HA LEU A 62 2.818 3.069 -4.187 1.00 41.04 H new ATOM 0 HB2 LEU A 62 0.856 2.992 -2.469 1.00 54.00 H new ATOM 0 HB3 LEU A 62 1.977 3.760 -1.363 1.00 54.00 H new ATOM 0 HG LEU A 62 1.092 4.926 -4.023 1.00 75.03 H new ATOM 0 HD11 LEU A 62 -0.269 6.524 -2.625 1.00 31.22 H new ATOM 0 HD12 LEU A 62 -0.791 4.836 -2.412 1.00 31.22 H new ATOM 0 HD13 LEU A 62 0.212 5.621 -1.169 1.00 31.22 H new ATOM 0 HD21 LEU A 62 2.026 7.087 -3.252 1.00 74.35 H new ATOM 0 HD22 LEU A 62 2.689 6.272 -1.816 1.00 74.35 H new ATOM 0 HD23 LEU A 62 3.269 5.827 -3.438 1.00 74.35 H new ATOM 991 N VAL A 63 5.127 3.878 -3.576 1.00 31.22 N ATOM 992 CA VAL A 63 6.425 4.508 -3.269 1.00 44.42 C ATOM 993 C VAL A 63 6.364 6.014 -3.622 1.00 64.00 C ATOM 994 O VAL A 63 6.259 6.389 -4.797 1.00 5.41 O ATOM 995 CB VAL A 63 7.608 3.803 -4.035 1.00 3.43 C ATOM 996 CG1 VAL A 63 8.986 4.399 -3.631 1.00 43.12 C ATOM 997 CG2 VAL A 63 7.568 2.264 -3.824 1.00 74.14 C ATOM 0 H VAL A 63 4.944 3.785 -4.575 1.00 31.22 H new ATOM 0 HA VAL A 63 6.620 4.394 -2.203 1.00 44.42 H new ATOM 0 HB VAL A 63 7.475 3.996 -5.100 1.00 3.43 H new ATOM 0 HG11 VAL A 63 9.778 3.889 -4.179 1.00 43.12 H new ATOM 0 HG12 VAL A 63 9.007 5.462 -3.870 1.00 43.12 H new ATOM 0 HG13 VAL A 63 9.141 4.265 -2.560 1.00 43.12 H new ATOM 0 HG21 VAL A 63 8.395 1.801 -4.363 1.00 74.14 H new ATOM 0 HG22 VAL A 63 7.657 2.040 -2.761 1.00 74.14 H new ATOM 0 HG23 VAL A 63 6.624 1.870 -4.200 1.00 74.14 H new ATOM 1007 N LEU A 64 6.383 6.866 -2.585 1.00 4.42 N ATOM 1008 CA LEU A 64 6.421 8.338 -2.729 1.00 24.43 C ATOM 1009 C LEU A 64 7.889 8.818 -2.509 1.00 11.25 C ATOM 1010 O LEU A 64 8.333 8.866 -1.358 1.00 54.21 O ATOM 1011 CB LEU A 64 5.423 9.009 -1.709 1.00 15.51 C ATOM 1012 CG LEU A 64 4.631 10.274 -2.206 1.00 21.41 C ATOM 1013 CD1 LEU A 64 5.559 11.393 -2.723 1.00 31.21 C ATOM 1014 CD2 LEU A 64 3.574 9.885 -3.266 1.00 11.45 C ATOM 0 H LEU A 64 6.372 6.555 -1.614 1.00 4.42 H new ATOM 0 HA LEU A 64 6.102 8.634 -3.729 1.00 24.43 H new ATOM 0 HB2 LEU A 64 4.698 8.256 -1.401 1.00 15.51 H new ATOM 0 HB3 LEU A 64 5.987 9.291 -0.820 1.00 15.51 H new ATOM 0 HG LEU A 64 4.112 10.681 -1.338 1.00 21.41 H new ATOM 0 HD11 LEU A 64 4.958 12.241 -3.053 1.00 31.21 H new ATOM 0 HD12 LEU A 64 6.227 11.711 -1.922 1.00 31.21 H new ATOM 0 HD13 LEU A 64 6.149 11.019 -3.560 1.00 31.21 H new ATOM 0 HD21 LEU A 64 3.041 10.778 -3.593 1.00 11.45 H new ATOM 0 HD22 LEU A 64 4.069 9.424 -4.121 1.00 11.45 H new ATOM 0 HD23 LEU A 64 2.867 9.178 -2.832 1.00 11.45 H new ATOM 1026 N PRO A 65 8.672 9.132 -3.612 1.00 70.43 N ATOM 1027 CA PRO A 65 10.101 9.558 -3.506 1.00 40.23 C ATOM 1028 C PRO A 65 10.322 10.770 -2.549 1.00 31.51 C ATOM 1029 O PRO A 65 10.862 10.603 -1.450 1.00 60.40 O ATOM 1030 CB PRO A 65 10.510 9.872 -4.984 1.00 2.45 C ATOM 1031 CG PRO A 65 9.212 9.994 -5.732 1.00 12.03 C ATOM 1032 CD PRO A 65 8.251 9.055 -5.039 1.00 55.03 C ATOM 0 HA PRO A 65 10.720 8.782 -3.056 1.00 40.23 H new ATOM 0 HB2 PRO A 65 11.089 10.794 -5.046 1.00 2.45 H new ATOM 0 HB3 PRO A 65 11.131 9.078 -5.399 1.00 2.45 H new ATOM 0 HG2 PRO A 65 8.842 11.019 -5.710 1.00 12.03 H new ATOM 0 HG3 PRO A 65 9.337 9.723 -6.780 1.00 12.03 H new ATOM 0 HD2 PRO A 65 7.215 9.369 -5.171 1.00 55.03 H new ATOM 0 HD3 PRO A 65 8.329 8.040 -5.428 1.00 55.03 H new ATOM 1040 N ALA A 66 9.899 11.979 -2.955 1.00 34.21 N ATOM 1041 CA ALA A 66 9.936 13.171 -2.079 1.00 71.02 C ATOM 1042 C ALA A 66 8.549 13.373 -1.444 1.00 30.14 C ATOM 1043 O ALA A 66 7.684 14.029 -2.036 1.00 52.23 O ATOM 1044 CB ALA A 66 10.390 14.415 -2.867 1.00 31.40 C ATOM 0 H ALA A 66 9.526 12.161 -3.887 1.00 34.21 H new ATOM 0 HA ALA A 66 10.664 13.018 -1.283 1.00 71.02 H new ATOM 0 HB1 ALA A 66 10.410 15.279 -2.203 1.00 31.40 H new ATOM 0 HB2 ALA A 66 11.388 14.245 -3.271 1.00 31.40 H new ATOM 0 HB3 ALA A 66 9.694 14.602 -3.685 1.00 31.40 H new ATOM 1050 N THR A 67 8.328 12.753 -0.266 1.00 4.12 N ATOM 1051 CA THR A 67 7.000 12.730 0.399 1.00 52.34 C ATOM 1052 C THR A 67 6.547 14.143 0.844 1.00 12.13 C ATOM 1053 O THR A 67 6.970 14.660 1.881 1.00 21.21 O ATOM 1054 CB THR A 67 6.965 11.737 1.609 1.00 23.21 C ATOM 1055 OG1 THR A 67 7.499 10.462 1.203 1.00 15.25 O ATOM 1056 CG2 THR A 67 5.528 11.525 2.137 1.00 2.44 C ATOM 0 H THR A 67 9.055 12.257 0.250 1.00 4.12 H new ATOM 0 HA THR A 67 6.293 12.372 -0.349 1.00 52.34 H new ATOM 0 HB THR A 67 7.566 12.172 2.408 1.00 23.21 H new ATOM 0 HG1 THR A 67 8.470 10.456 1.337 1.00 15.25 H new ATOM 0 HG21 THR A 67 5.548 10.830 2.976 1.00 2.44 H new ATOM 0 HG22 THR A 67 5.117 12.479 2.466 1.00 2.44 H new ATOM 0 HG23 THR A 67 4.905 11.116 1.342 1.00 2.44 H new ATOM 1064 N GLN A 68 5.670 14.740 0.025 1.00 52.15 N ATOM 1065 CA GLN A 68 5.219 16.141 0.175 1.00 51.04 C ATOM 1066 C GLN A 68 4.333 16.327 1.441 1.00 63.22 C ATOM 1067 O GLN A 68 3.675 15.373 1.869 1.00 22.13 O ATOM 1068 CB GLN A 68 4.439 16.539 -1.110 1.00 22.41 C ATOM 1069 CG GLN A 68 5.232 16.321 -2.420 1.00 60.21 C ATOM 1070 CD GLN A 68 4.372 16.445 -3.678 1.00 64.33 C ATOM 1071 OE1 GLN A 68 4.223 17.517 -4.250 1.00 35.24 O ATOM 1072 NE2 GLN A 68 3.781 15.344 -4.109 1.00 72.32 N ATOM 0 H GLN A 68 5.246 14.263 -0.771 1.00 52.15 H new ATOM 0 HA GLN A 68 6.086 16.788 0.304 1.00 51.04 H new ATOM 0 HB2 GLN A 68 3.516 15.961 -1.156 1.00 22.41 H new ATOM 0 HB3 GLN A 68 4.155 17.589 -1.040 1.00 22.41 H new ATOM 0 HG2 GLN A 68 6.043 17.047 -2.470 1.00 60.21 H new ATOM 0 HG3 GLN A 68 5.691 15.332 -2.398 1.00 60.21 H new ATOM 0 HE21 GLN A 68 3.921 14.463 -3.615 1.00 72.32 H new ATOM 0 HE22 GLN A 68 3.185 15.375 -4.936 1.00 72.32 H new ATOM 1081 N PRO A 69 4.327 17.545 2.085 1.00 31.04 N ATOM 1082 CA PRO A 69 3.386 17.876 3.199 1.00 4.01 C ATOM 1083 C PRO A 69 1.892 17.578 2.862 1.00 22.12 C ATOM 1084 O PRO A 69 1.120 17.145 3.724 1.00 61.33 O ATOM 1085 CB PRO A 69 3.631 19.387 3.424 1.00 31.54 C ATOM 1086 CG PRO A 69 5.060 19.587 3.015 1.00 72.41 C ATOM 1087 CD PRO A 69 5.277 18.668 1.831 1.00 33.24 C ATOM 0 HA PRO A 69 3.570 17.265 4.082 1.00 4.01 H new ATOM 0 HB2 PRO A 69 2.955 19.995 2.823 1.00 31.54 H new ATOM 0 HB3 PRO A 69 3.471 19.667 4.465 1.00 31.54 H new ATOM 0 HG2 PRO A 69 5.249 20.626 2.745 1.00 72.41 H new ATOM 0 HG3 PRO A 69 5.739 19.342 3.831 1.00 72.41 H new ATOM 0 HD2 PRO A 69 5.062 19.170 0.888 1.00 33.24 H new ATOM 0 HD3 PRO A 69 6.308 18.318 1.778 1.00 33.24 H new ATOM 1095 N SER A 70 1.525 17.801 1.582 1.00 71.44 N ATOM 1096 CA SER A 70 0.182 17.474 1.030 1.00 12.33 C ATOM 1097 C SER A 70 -0.107 15.944 1.027 1.00 32.04 C ATOM 1098 O SER A 70 -1.268 15.535 1.098 1.00 12.44 O ATOM 1099 CB SER A 70 0.043 18.050 -0.403 1.00 63.52 C ATOM 1100 OG SER A 70 -1.182 17.670 -1.025 1.00 2.03 O ATOM 0 H SER A 70 2.153 18.216 0.893 1.00 71.44 H new ATOM 0 HA SER A 70 -0.557 17.936 1.685 1.00 12.33 H new ATOM 0 HB2 SER A 70 0.104 19.137 -0.362 1.00 63.52 H new ATOM 0 HB3 SER A 70 0.879 17.706 -1.012 1.00 63.52 H new ATOM 0 HG SER A 70 -1.226 18.057 -1.924 1.00 2.03 H new ATOM 1106 N ASP A 71 0.955 15.105 0.952 1.00 24.51 N ATOM 1107 CA ASP A 71 0.831 13.620 1.040 1.00 2.54 C ATOM 1108 C ASP A 71 0.703 13.113 2.501 1.00 53.04 C ATOM 1109 O ASP A 71 0.661 11.902 2.749 1.00 62.15 O ATOM 1110 CB ASP A 71 2.000 12.914 0.302 1.00 54.44 C ATOM 1111 CG ASP A 71 1.944 13.129 -1.221 1.00 53.13 C ATOM 1112 OD1 ASP A 71 0.907 12.778 -1.839 1.00 31.12 O ATOM 1113 OD2 ASP A 71 2.916 13.651 -1.803 1.00 41.44 O ATOM 0 H ASP A 71 1.914 15.429 0.830 1.00 24.51 H new ATOM 0 HA ASP A 71 -0.100 13.357 0.537 1.00 2.54 H new ATOM 0 HB2 ASP A 71 2.949 13.290 0.685 1.00 54.44 H new ATOM 0 HB3 ASP A 71 1.970 11.846 0.517 1.00 54.44 H new ATOM 1118 N GLY A 72 0.623 14.047 3.459 1.00 12.35 N ATOM 1119 CA GLY A 72 0.295 13.720 4.850 1.00 1.23 C ATOM 1120 C GLY A 72 -1.212 13.571 5.055 1.00 5.23 C ATOM 1121 O GLY A 72 -1.987 14.452 4.661 1.00 5.44 O ATOM 0 H GLY A 72 0.782 15.041 3.292 1.00 12.35 H new ATOM 0 HA2 GLY A 72 0.794 12.793 5.134 1.00 1.23 H new ATOM 0 HA3 GLY A 72 0.676 14.502 5.507 1.00 1.23 H new ATOM 1125 N GLY A 73 -1.628 12.444 5.644 1.00 31.13 N ATOM 1126 CA GLY A 73 -3.042 12.170 5.911 1.00 51.14 C ATOM 1127 C GLY A 73 -3.351 10.679 5.894 1.00 44.21 C ATOM 1128 O GLY A 73 -2.750 9.922 6.659 1.00 41.13 O ATOM 0 H GLY A 73 -0.998 11.702 5.947 1.00 31.13 H new ATOM 0 HA2 GLY A 73 -3.314 12.585 6.882 1.00 51.14 H new ATOM 0 HA3 GLY A 73 -3.656 12.675 5.165 1.00 51.14 H new ATOM 1132 N GLU A 74 -4.277 10.240 5.017 1.00 51.43 N ATOM 1133 CA GLU A 74 -4.745 8.828 4.966 1.00 65.31 C ATOM 1134 C GLU A 74 -4.713 8.256 3.527 1.00 1.12 C ATOM 1135 O GLU A 74 -5.063 8.942 2.561 1.00 32.23 O ATOM 1136 CB GLU A 74 -6.175 8.711 5.568 1.00 2.22 C ATOM 1137 CG GLU A 74 -6.268 9.153 7.047 1.00 5.23 C ATOM 1138 CD GLU A 74 -7.647 8.921 7.675 1.00 52.10 C ATOM 1139 OE1 GLU A 74 -7.895 7.804 8.178 1.00 13.42 O ATOM 1140 OE2 GLU A 74 -8.482 9.848 7.674 1.00 43.14 O ATOM 0 H GLU A 74 -4.722 10.844 4.326 1.00 51.43 H new ATOM 0 HA GLU A 74 -4.056 8.233 5.565 1.00 65.31 H new ATOM 0 HB2 GLU A 74 -6.860 9.316 4.974 1.00 2.22 H new ATOM 0 HB3 GLU A 74 -6.510 7.677 5.486 1.00 2.22 H new ATOM 0 HG2 GLU A 74 -5.519 8.612 7.626 1.00 5.23 H new ATOM 0 HG3 GLU A 74 -6.021 10.212 7.116 1.00 5.23 H new ATOM 1147 N PHE A 75 -4.275 6.984 3.412 1.00 20.45 N ATOM 1148 CA PHE A 75 -4.224 6.226 2.137 1.00 5.34 C ATOM 1149 C PHE A 75 -5.007 4.899 2.271 1.00 52.02 C ATOM 1150 O PHE A 75 -4.911 4.216 3.294 1.00 51.32 O ATOM 1151 CB PHE A 75 -2.757 5.920 1.732 1.00 10.20 C ATOM 1152 CG PHE A 75 -1.925 7.152 1.379 1.00 54.05 C ATOM 1153 CD1 PHE A 75 -1.259 7.880 2.364 1.00 54.24 C ATOM 1154 CD2 PHE A 75 -1.796 7.570 0.055 1.00 75.52 C ATOM 1155 CE1 PHE A 75 -0.496 8.985 2.035 1.00 13.33 C ATOM 1156 CE2 PHE A 75 -1.031 8.670 -0.271 1.00 63.44 C ATOM 1157 CZ PHE A 75 -0.379 9.378 0.719 1.00 55.31 C ATOM 0 H PHE A 75 -3.942 6.445 4.211 1.00 20.45 H new ATOM 0 HA PHE A 75 -4.681 6.842 1.363 1.00 5.34 H new ATOM 0 HB2 PHE A 75 -2.270 5.392 2.552 1.00 10.20 H new ATOM 0 HB3 PHE A 75 -2.763 5.245 0.876 1.00 10.20 H new ATOM 0 HD1 PHE A 75 -1.340 7.577 3.397 1.00 54.24 H new ATOM 0 HD2 PHE A 75 -2.303 7.024 -0.727 1.00 75.52 H new ATOM 0 HE1 PHE A 75 0.009 9.541 2.811 1.00 13.33 H new ATOM 0 HE2 PHE A 75 -0.942 8.978 -1.302 1.00 63.44 H new ATOM 0 HZ PHE A 75 0.222 10.238 0.463 1.00 55.31 H new ATOM 1167 N GLN A 76 -5.784 4.540 1.233 1.00 23.43 N ATOM 1168 CA GLN A 76 -6.611 3.309 1.218 1.00 74.10 C ATOM 1169 C GLN A 76 -6.082 2.283 0.199 1.00 72.54 C ATOM 1170 O GLN A 76 -5.444 2.648 -0.789 1.00 4.51 O ATOM 1171 CB GLN A 76 -8.084 3.654 0.879 1.00 44.13 C ATOM 1172 CG GLN A 76 -8.768 4.609 1.877 1.00 71.32 C ATOM 1173 CD GLN A 76 -10.250 4.879 1.584 1.00 64.02 C ATOM 1174 OE1 GLN A 76 -10.973 3.883 1.087 1.00 44.41 O flip ATOM 1175 NE2 GLN A 76 -10.754 5.967 1.847 1.00 3.24 N flip ATOM 0 H GLN A 76 -5.860 5.092 0.379 1.00 23.43 H new ATOM 0 HA GLN A 76 -6.555 2.867 2.213 1.00 74.10 H new ATOM 0 HB2 GLN A 76 -8.119 4.102 -0.114 1.00 44.13 H new ATOM 0 HB3 GLN A 76 -8.658 2.729 0.831 1.00 44.13 H new ATOM 0 HG2 GLN A 76 -8.679 4.191 2.880 1.00 71.32 H new ATOM 0 HG3 GLN A 76 -8.232 5.558 1.878 1.00 71.32 H new ATOM 0 HE21 GLN A 76 -10.178 6.717 2.228 1.00 3.24 H new ATOM 0 HE22 GLN A 76 -11.749 6.121 1.684 1.00 3.24 H new ATOM 1184 N CYS A 77 -6.345 0.992 0.467 1.00 1.23 N ATOM 1185 CA CYS A 77 -6.131 -0.109 -0.497 1.00 64.53 C ATOM 1186 C CYS A 77 -7.405 -0.973 -0.575 1.00 21.11 C ATOM 1187 O CYS A 77 -7.601 -1.836 0.266 1.00 3.22 O ATOM 1188 CB CYS A 77 -4.933 -0.980 -0.061 1.00 53.41 C ATOM 1189 SG CYS A 77 -3.405 -0.071 0.170 1.00 73.20 S ATOM 0 H CYS A 77 -6.715 0.678 1.364 1.00 1.23 H new ATOM 0 HA CYS A 77 -5.914 0.313 -1.478 1.00 64.53 H new ATOM 0 HB2 CYS A 77 -5.186 -1.485 0.871 1.00 53.41 H new ATOM 0 HB3 CYS A 77 -4.771 -1.755 -0.810 1.00 53.41 H new ATOM 0 HG CYS A 77 -3.234 0.750 -0.823 1.00 73.20 H new ATOM 1195 N VAL A 78 -8.281 -0.737 -1.566 1.00 21.03 N ATOM 1196 CA VAL A 78 -9.559 -1.481 -1.692 1.00 21.30 C ATOM 1197 C VAL A 78 -9.385 -2.711 -2.626 1.00 23.45 C ATOM 1198 O VAL A 78 -9.000 -2.563 -3.786 1.00 71.23 O ATOM 1199 CB VAL A 78 -10.717 -0.547 -2.210 1.00 72.25 C ATOM 1200 CG1 VAL A 78 -12.058 -1.317 -2.349 1.00 0.44 C ATOM 1201 CG2 VAL A 78 -10.875 0.694 -1.285 1.00 54.32 C ATOM 0 H VAL A 78 -8.133 -0.038 -2.294 1.00 21.03 H new ATOM 0 HA VAL A 78 -9.838 -1.836 -0.700 1.00 21.30 H new ATOM 0 HB VAL A 78 -10.442 -0.199 -3.206 1.00 72.25 H new ATOM 0 HG11 VAL A 78 -12.832 -0.638 -2.709 1.00 0.44 H new ATOM 0 HG12 VAL A 78 -11.936 -2.136 -3.058 1.00 0.44 H new ATOM 0 HG13 VAL A 78 -12.350 -1.718 -1.378 1.00 0.44 H new ATOM 0 HG21 VAL A 78 -11.680 1.327 -1.659 1.00 54.32 H new ATOM 0 HG22 VAL A 78 -11.113 0.366 -0.273 1.00 54.32 H new ATOM 0 HG23 VAL A 78 -9.944 1.260 -1.273 1.00 54.32 H new ATOM 1211 N ALA A 79 -9.659 -3.916 -2.098 1.00 11.12 N ATOM 1212 CA ALA A 79 -9.518 -5.189 -2.850 1.00 13.35 C ATOM 1213 C ALA A 79 -10.902 -5.776 -3.204 1.00 21.22 C ATOM 1214 O ALA A 79 -11.312 -5.781 -4.368 1.00 3.51 O ATOM 1215 CB ALA A 79 -8.685 -6.187 -2.029 1.00 35.52 C ATOM 0 H ALA A 79 -9.985 -4.042 -1.140 1.00 11.12 H new ATOM 0 HA ALA A 79 -8.999 -4.990 -3.787 1.00 13.35 H new ATOM 0 HB1 ALA A 79 -8.584 -7.120 -2.584 1.00 35.52 H new ATOM 0 HB2 ALA A 79 -7.697 -5.768 -1.841 1.00 35.52 H new ATOM 0 HB3 ALA A 79 -9.183 -6.382 -1.079 1.00 35.52 H new ATOM 1221 N GLY A 80 -11.613 -6.258 -2.175 1.00 44.44 N ATOM 1222 CA GLY A 80 -12.950 -6.842 -2.339 1.00 5.43 C ATOM 1223 C GLY A 80 -13.669 -6.961 -1.000 1.00 13.30 C ATOM 1224 O GLY A 80 -13.392 -7.888 -0.226 1.00 52.50 O ATOM 0 H GLY A 80 -11.279 -6.254 -1.211 1.00 44.44 H new ATOM 0 HA2 GLY A 80 -13.539 -6.224 -3.017 1.00 5.43 H new ATOM 0 HA3 GLY A 80 -12.865 -7.827 -2.798 1.00 5.43 H new ATOM 1228 N ASP A 81 -14.558 -5.978 -0.719 1.00 0.25 N ATOM 1229 CA ASP A 81 -15.305 -5.855 0.563 1.00 70.40 C ATOM 1230 C ASP A 81 -14.362 -5.605 1.777 1.00 10.41 C ATOM 1231 O ASP A 81 -14.759 -5.786 2.936 1.00 14.42 O ATOM 1232 CB ASP A 81 -16.221 -7.088 0.796 1.00 34.32 C ATOM 1233 CG ASP A 81 -17.289 -7.237 -0.300 1.00 33.33 C ATOM 1234 OD1 ASP A 81 -16.988 -7.785 -1.386 1.00 21.14 O ATOM 1235 OD2 ASP A 81 -18.442 -6.801 -0.085 1.00 63.13 O ATOM 0 H ASP A 81 -14.782 -5.237 -1.383 1.00 0.25 H new ATOM 0 HA ASP A 81 -15.942 -4.974 0.479 1.00 70.40 H new ATOM 0 HB2 ASP A 81 -15.610 -7.990 0.830 1.00 34.32 H new ATOM 0 HB3 ASP A 81 -16.709 -6.997 1.766 1.00 34.32 H new ATOM 1240 N GLU A 82 -13.130 -5.135 1.493 1.00 54.41 N ATOM 1241 CA GLU A 82 -12.111 -4.864 2.531 1.00 35.11 C ATOM 1242 C GLU A 82 -11.064 -3.845 2.036 1.00 51.25 C ATOM 1243 O GLU A 82 -10.681 -3.852 0.856 1.00 20.42 O ATOM 1244 CB GLU A 82 -11.415 -6.180 2.975 1.00 23.43 C ATOM 1245 CG GLU A 82 -10.534 -6.032 4.229 1.00 32.25 C ATOM 1246 CD GLU A 82 -9.968 -7.364 4.736 1.00 11.22 C ATOM 1247 OE1 GLU A 82 -10.727 -8.158 5.334 1.00 51.04 O ATOM 1248 OE2 GLU A 82 -8.763 -7.617 4.557 1.00 4.22 O ATOM 0 H GLU A 82 -12.814 -4.933 0.544 1.00 54.41 H new ATOM 0 HA GLU A 82 -12.623 -4.432 3.391 1.00 35.11 H new ATOM 0 HB2 GLU A 82 -12.177 -6.935 3.167 1.00 23.43 H new ATOM 0 HB3 GLU A 82 -10.801 -6.549 2.154 1.00 23.43 H new ATOM 0 HG2 GLU A 82 -9.708 -5.356 4.006 1.00 32.25 H new ATOM 0 HG3 GLU A 82 -11.120 -5.569 5.023 1.00 32.25 H new ATOM 1255 N CYS A 83 -10.599 -2.981 2.961 1.00 53.41 N ATOM 1256 CA CYS A 83 -9.588 -1.946 2.679 1.00 52.51 C ATOM 1257 C CYS A 83 -8.515 -1.863 3.793 1.00 14.15 C ATOM 1258 O CYS A 83 -8.826 -1.979 4.980 1.00 42.11 O ATOM 1259 CB CYS A 83 -10.255 -0.568 2.492 1.00 5.22 C ATOM 1260 SG CYS A 83 -9.084 0.781 2.227 1.00 54.44 S ATOM 0 H CYS A 83 -10.917 -2.983 3.930 1.00 53.41 H new ATOM 0 HA CYS A 83 -9.089 -2.233 1.753 1.00 52.51 H new ATOM 0 HB2 CYS A 83 -10.936 -0.617 1.642 1.00 5.22 H new ATOM 0 HB3 CYS A 83 -10.858 -0.345 3.372 1.00 5.22 H new ATOM 0 HG CYS A 83 -9.028 1.523 3.293 1.00 54.44 H new ATOM 1266 N ALA A 84 -7.243 -1.670 3.380 1.00 12.52 N ATOM 1267 CA ALA A 84 -6.105 -1.428 4.300 1.00 50.30 C ATOM 1268 C ALA A 84 -5.877 0.090 4.440 1.00 63.32 C ATOM 1269 O ALA A 84 -5.867 0.811 3.436 1.00 15.21 O ATOM 1270 CB ALA A 84 -4.832 -2.125 3.783 1.00 74.03 C ATOM 0 H ALA A 84 -6.974 -1.677 2.396 1.00 12.52 H new ATOM 0 HA ALA A 84 -6.339 -1.846 5.279 1.00 50.30 H new ATOM 0 HB1 ALA A 84 -4.008 -1.936 4.471 1.00 74.03 H new ATOM 0 HB2 ALA A 84 -5.008 -3.199 3.714 1.00 74.03 H new ATOM 0 HB3 ALA A 84 -4.578 -1.735 2.797 1.00 74.03 H new ATOM 1276 N TYR A 85 -5.705 0.574 5.684 1.00 42.13 N ATOM 1277 CA TYR A 85 -5.659 2.028 5.986 1.00 74.23 C ATOM 1278 C TYR A 85 -4.258 2.447 6.494 1.00 44.03 C ATOM 1279 O TYR A 85 -3.744 1.859 7.449 1.00 42.33 O ATOM 1280 CB TYR A 85 -6.732 2.374 7.049 1.00 52.21 C ATOM 1281 CG TYR A 85 -8.127 1.813 6.747 1.00 4.14 C ATOM 1282 CD1 TYR A 85 -8.920 2.338 5.721 1.00 33.44 C ATOM 1283 CD2 TYR A 85 -8.647 0.741 7.481 1.00 24.41 C ATOM 1284 CE1 TYR A 85 -10.173 1.818 5.447 1.00 13.22 C ATOM 1285 CE2 TYR A 85 -9.895 0.220 7.206 1.00 1.33 C ATOM 1286 CZ TYR A 85 -10.653 0.761 6.190 1.00 74.32 C ATOM 1287 OH TYR A 85 -11.900 0.239 5.913 1.00 41.24 O ATOM 0 H TYR A 85 -5.594 -0.020 6.505 1.00 42.13 H new ATOM 0 HA TYR A 85 -5.865 2.577 5.067 1.00 74.23 H new ATOM 0 HB2 TYR A 85 -6.403 1.995 8.017 1.00 52.21 H new ATOM 0 HB3 TYR A 85 -6.801 3.458 7.138 1.00 52.21 H new ATOM 0 HD1 TYR A 85 -8.548 3.164 5.132 1.00 33.44 H new ATOM 0 HD2 TYR A 85 -8.059 0.312 8.279 1.00 24.41 H new ATOM 0 HE1 TYR A 85 -10.773 2.239 4.654 1.00 13.22 H new ATOM 0 HE2 TYR A 85 -10.276 -0.608 7.785 1.00 1.33 H new ATOM 0 HH TYR A 85 -12.088 -0.502 6.526 1.00 41.24 H new ATOM 1297 N PHE A 86 -3.661 3.475 5.862 1.00 20.02 N ATOM 1298 CA PHE A 86 -2.307 3.977 6.207 1.00 51.20 C ATOM 1299 C PHE A 86 -2.369 5.466 6.618 1.00 12.43 C ATOM 1300 O PHE A 86 -2.624 6.331 5.775 1.00 22.52 O ATOM 1301 CB PHE A 86 -1.350 3.787 4.997 1.00 1.54 C ATOM 1302 CG PHE A 86 -1.212 2.333 4.540 1.00 1.20 C ATOM 1303 CD1 PHE A 86 -0.309 1.470 5.167 1.00 33.30 C ATOM 1304 CD2 PHE A 86 -1.995 1.824 3.500 1.00 73.54 C ATOM 1305 CE1 PHE A 86 -0.196 0.151 4.766 1.00 34.01 C ATOM 1306 CE2 PHE A 86 -1.880 0.503 3.107 1.00 64.54 C ATOM 1307 CZ PHE A 86 -0.980 -0.330 3.738 1.00 2.03 C ATOM 0 H PHE A 86 -4.100 3.985 5.096 1.00 20.02 H new ATOM 0 HA PHE A 86 -1.925 3.406 7.053 1.00 51.20 H new ATOM 0 HB2 PHE A 86 -1.711 4.388 4.162 1.00 1.54 H new ATOM 0 HB3 PHE A 86 -0.364 4.170 5.262 1.00 1.54 H new ATOM 0 HD1 PHE A 86 0.308 1.837 5.974 1.00 33.30 H new ATOM 0 HD2 PHE A 86 -2.699 2.471 2.997 1.00 73.54 H new ATOM 0 HE1 PHE A 86 0.508 -0.504 5.259 1.00 34.01 H new ATOM 0 HE2 PHE A 86 -2.496 0.123 2.305 1.00 64.54 H new ATOM 0 HZ PHE A 86 -0.889 -1.360 3.427 1.00 2.03 H new ATOM 1317 N THR A 87 -2.131 5.760 7.913 1.00 73.24 N ATOM 1318 CA THR A 87 -2.062 7.148 8.428 1.00 41.05 C ATOM 1319 C THR A 87 -0.617 7.673 8.401 1.00 62.31 C ATOM 1320 O THR A 87 0.209 7.319 9.246 1.00 64.53 O ATOM 1321 CB THR A 87 -2.657 7.280 9.874 1.00 72.12 C ATOM 1322 OG1 THR A 87 -2.269 6.149 10.676 1.00 4.12 O ATOM 1323 CG2 THR A 87 -4.184 7.421 9.850 1.00 21.12 C ATOM 0 H THR A 87 -1.982 5.049 8.629 1.00 73.24 H new ATOM 0 HA THR A 87 -2.675 7.758 7.764 1.00 41.05 H new ATOM 0 HB THR A 87 -2.251 8.189 10.318 1.00 72.12 H new ATOM 0 HG1 THR A 87 -3.044 5.565 10.814 1.00 4.12 H new ATOM 0 HG21 THR A 87 -4.557 7.510 10.870 1.00 21.12 H new ATOM 0 HG22 THR A 87 -4.458 8.312 9.284 1.00 21.12 H new ATOM 0 HG23 THR A 87 -4.623 6.542 9.378 1.00 21.12 H new ATOM 1331 N VAL A 88 -0.340 8.510 7.405 1.00 0.54 N ATOM 1332 CA VAL A 88 0.973 9.123 7.172 1.00 21.23 C ATOM 1333 C VAL A 88 1.051 10.531 7.826 1.00 14.50 C ATOM 1334 O VAL A 88 0.187 11.379 7.590 1.00 11.53 O ATOM 1335 CB VAL A 88 1.232 9.190 5.624 1.00 14.31 C ATOM 1336 CG1 VAL A 88 2.481 10.033 5.262 1.00 71.14 C ATOM 1337 CG2 VAL A 88 1.331 7.758 5.028 1.00 14.23 C ATOM 0 H VAL A 88 -1.038 8.791 6.717 1.00 0.54 H new ATOM 0 HA VAL A 88 1.750 8.516 7.636 1.00 21.23 H new ATOM 0 HB VAL A 88 0.378 9.699 5.178 1.00 14.31 H new ATOM 0 HG11 VAL A 88 2.611 10.044 4.180 1.00 71.14 H new ATOM 0 HG12 VAL A 88 2.348 11.053 5.622 1.00 71.14 H new ATOM 0 HG13 VAL A 88 3.363 9.595 5.729 1.00 71.14 H new ATOM 0 HG21 VAL A 88 1.511 7.822 3.955 1.00 14.23 H new ATOM 0 HG22 VAL A 88 2.154 7.223 5.502 1.00 14.23 H new ATOM 0 HG23 VAL A 88 0.398 7.224 5.208 1.00 14.23 H new ATOM 1347 N THR A 89 2.085 10.757 8.658 1.00 1.34 N ATOM 1348 CA THR A 89 2.350 12.069 9.306 1.00 50.01 C ATOM 1349 C THR A 89 3.749 12.584 8.911 1.00 1.00 C ATOM 1350 O THR A 89 4.759 11.944 9.224 1.00 23.24 O ATOM 1351 CB THR A 89 2.247 11.974 10.867 1.00 42.31 C ATOM 1352 OG1 THR A 89 0.940 11.512 11.240 1.00 34.44 O ATOM 1353 CG2 THR A 89 2.515 13.327 11.565 1.00 51.14 C ATOM 0 H THR A 89 2.765 10.038 8.904 1.00 1.34 H new ATOM 0 HA THR A 89 1.589 12.767 8.957 1.00 50.01 H new ATOM 0 HB THR A 89 3.015 11.272 11.192 1.00 42.31 H new ATOM 0 HG1 THR A 89 1.003 10.597 11.584 1.00 34.44 H new ATOM 0 HG21 THR A 89 2.431 13.203 12.645 1.00 51.14 H new ATOM 0 HG22 THR A 89 3.519 13.672 11.317 1.00 51.14 H new ATOM 0 HG23 THR A 89 1.785 14.062 11.226 1.00 51.14 H new ATOM 1361 N ILE A 90 3.797 13.755 8.250 1.00 25.23 N ATOM 1362 CA ILE A 90 5.051 14.348 7.716 1.00 45.42 C ATOM 1363 C ILE A 90 5.930 14.934 8.845 1.00 62.53 C ATOM 1364 O ILE A 90 5.429 15.567 9.778 1.00 2.41 O ATOM 1365 CB ILE A 90 4.741 15.466 6.646 1.00 2.44 C ATOM 1366 CG1 ILE A 90 3.720 14.955 5.578 1.00 60.30 C ATOM 1367 CG2 ILE A 90 6.038 15.989 5.967 1.00 45.43 C ATOM 1368 CD1 ILE A 90 4.187 13.776 4.739 1.00 31.12 C ATOM 0 H ILE A 90 2.970 14.323 8.067 1.00 25.23 H new ATOM 0 HA ILE A 90 5.603 13.541 7.234 1.00 45.42 H new ATOM 0 HB ILE A 90 4.288 16.304 7.176 1.00 2.44 H new ATOM 0 HG12 ILE A 90 2.798 14.674 6.087 1.00 60.30 H new ATOM 0 HG13 ILE A 90 3.476 15.781 4.909 1.00 60.30 H new ATOM 0 HG21 ILE A 90 5.782 16.757 5.237 1.00 45.43 H new ATOM 0 HG22 ILE A 90 6.699 16.413 6.723 1.00 45.43 H new ATOM 0 HG23 ILE A 90 6.543 15.164 5.464 1.00 45.43 H new ATOM 0 HD11 ILE A 90 3.405 13.501 4.031 1.00 31.12 H new ATOM 0 HD12 ILE A 90 5.090 14.052 4.194 1.00 31.12 H new ATOM 0 HD13 ILE A 90 4.401 12.928 5.390 1.00 31.12 H new TER 1380 ILE A 90