USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 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: B 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 22 ASN :FLIP amide:sc= 0.0252 F(o=-1.4,f=0.025) USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN :FLIP amide:sc= 0.0441 F(o=-1.4,f=0.044) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 3 MET CE :methyl -107:sc= -0.329 (180deg=-2.01!) USER MOD Set 3.3: B 2 SER OG : rot 180:sc= 0 USER MOD Set 3.4: B 3 MET CE :methyl -108:sc= -0.323 (180deg=-1.99!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0116 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -1.4 (180deg=-2.52!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= -0.344 (180deg=-1.46!) USER MOD Single : A 17 ASN : amide:sc= -3.01! C(o=-3!,f=-9.2!) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.901) USER MOD Single : B 1 GLY N :NH3+ -108:sc= 0.0136 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -159:sc= -1.4 (180deg=-2.54!) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 6:sc= 0.312 USER MOD Single : B 16 LYS NZ :NH3+ -132:sc= -0.325 (180deg=-1.43!) USER MOD Single : B 17 ASN : amide:sc= -2.96! C(o=-3!,f=-9.1!) USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.892) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.152 -5.033 -4.807 1.00 0.00 N ATOM 2 CA GLY A 1 -25.177 -5.141 -3.695 1.00 0.00 C ATOM 3 C GLY A 1 -23.903 -4.382 -3.989 1.00 0.00 C ATOM 4 O GLY A 1 -23.460 -4.329 -5.134 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.939 -4.417 -4.520 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.683 -4.628 -5.642 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.519 -5.978 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.626 -4.756 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.942 -6.191 -3.518 1.00 0.00 H new ATOM 10 N SER A 2 -23.321 -3.781 -2.964 1.00 0.00 N ATOM 11 CA SER A 2 -22.099 -3.009 -3.127 1.00 0.00 C ATOM 12 C SER A 2 -21.020 -3.461 -2.147 1.00 0.00 C ATOM 13 O SER A 2 -19.851 -3.106 -2.297 1.00 0.00 O ATOM 14 CB SER A 2 -22.403 -1.526 -2.922 1.00 0.00 C ATOM 15 OG SER A 2 -23.123 -1.323 -1.719 1.00 0.00 O ATOM 0 H SER A 2 -23.676 -3.813 -2.008 1.00 0.00 H new ATOM 0 HA SER A 2 -21.722 -3.172 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.472 -0.960 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.981 -1.148 -3.765 1.00 0.00 H new ATOM 0 HG SER A 2 -23.306 -0.367 -1.605 1.00 0.00 H new ATOM 21 N MET A 3 -21.412 -4.269 -1.167 1.00 0.00 N ATOM 22 CA MET A 3 -20.518 -4.667 -0.083 1.00 0.00 C ATOM 23 C MET A 3 -19.271 -5.355 -0.619 1.00 0.00 C ATOM 24 O MET A 3 -18.155 -4.903 -0.379 1.00 0.00 O ATOM 25 CB MET A 3 -21.233 -5.604 0.896 1.00 0.00 C ATOM 26 CG MET A 3 -22.497 -5.030 1.527 1.00 0.00 C ATOM 27 SD MET A 3 -22.188 -3.640 2.641 1.00 0.00 S ATOM 28 CE MET A 3 -22.209 -2.250 1.507 1.00 0.00 C ATOM 0 H MET A 3 -22.350 -4.664 -1.101 1.00 0.00 H new ATOM 0 HA MET A 3 -20.220 -3.758 0.440 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.492 -6.524 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.538 -5.874 1.691 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.173 -4.706 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.008 -5.819 2.079 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.193 -1.882 1.364 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.618 -2.569 0.548 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.829 -1.454 1.919 1.00 0.00 H new ATOM 38 N LYS A 4 -19.469 -6.425 -1.377 1.00 0.00 N ATOM 39 CA LYS A 4 -18.358 -7.242 -1.858 1.00 0.00 C ATOM 40 C LYS A 4 -17.571 -6.528 -2.950 1.00 0.00 C ATOM 41 O LYS A 4 -16.412 -6.838 -3.191 1.00 0.00 O ATOM 42 CB LYS A 4 -18.867 -8.584 -2.391 1.00 0.00 C ATOM 43 CG LYS A 4 -19.674 -9.385 -1.380 1.00 0.00 C ATOM 44 CD LYS A 4 -20.015 -10.779 -1.897 1.00 0.00 C ATOM 45 CE LYS A 4 -18.890 -11.784 -1.653 1.00 0.00 C ATOM 46 NZ LYS A 4 -17.641 -11.455 -2.392 1.00 0.00 N ATOM 0 H LYS A 4 -20.389 -6.750 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.694 -7.416 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.484 -8.403 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.015 -9.181 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.109 -9.471 -0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.594 -8.850 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.925 -11.131 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.225 -10.726 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.673 -11.825 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.228 -12.777 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.049 -12.307 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.881 -11.112 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.119 -10.716 -1.880 1.00 0.00 H new ATOM 60 N GLN A 5 -18.199 -5.551 -3.578 1.00 0.00 N ATOM 61 CA GLN A 5 -17.618 -4.869 -4.725 1.00 0.00 C ATOM 62 C GLN A 5 -16.749 -3.718 -4.258 1.00 0.00 C ATOM 63 O GLN A 5 -15.626 -3.538 -4.727 1.00 0.00 O ATOM 64 CB GLN A 5 -18.718 -4.352 -5.650 1.00 0.00 C ATOM 65 CG GLN A 5 -19.561 -5.455 -6.270 1.00 0.00 C ATOM 66 CD GLN A 5 -20.668 -4.910 -7.147 1.00 0.00 C ATOM 67 OE1 GLN A 5 -20.540 -3.835 -7.737 1.00 0.00 O ATOM 68 NE2 GLN A 5 -21.764 -5.644 -7.239 1.00 0.00 N ATOM 0 H GLN A 5 -19.122 -5.208 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.002 -5.578 -5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.368 -3.682 -5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.264 -3.762 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.921 -6.109 -6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.995 -6.065 -5.478 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.830 -6.528 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.544 -5.326 -7.815 1.00 0.00 H new ATOM 77 N LEU A 6 -17.274 -2.944 -3.324 1.00 0.00 N ATOM 78 CA LEU A 6 -16.503 -1.886 -2.703 1.00 0.00 C ATOM 79 C LEU A 6 -15.379 -2.500 -1.889 1.00 0.00 C ATOM 80 O LEU A 6 -14.240 -2.043 -1.944 1.00 0.00 O ATOM 81 CB LEU A 6 -17.389 -1.007 -1.811 1.00 0.00 C ATOM 82 CG LEU A 6 -18.114 0.166 -2.495 1.00 0.00 C ATOM 83 CD1 LEU A 6 -17.134 1.272 -2.866 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.870 -0.299 -3.731 1.00 0.00 C ATOM 0 H LEU A 6 -18.231 -3.030 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 6 -16.085 -1.250 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.140 -1.645 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.770 -0.603 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.835 0.565 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.672 2.088 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.644 1.642 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.383 0.878 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.372 0.552 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.170 -0.737 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.611 -1.046 -3.445 1.00 0.00 H new ATOM 96 N GLU A 7 -15.703 -3.563 -1.155 1.00 0.00 N ATOM 97 CA GLU A 7 -14.699 -4.283 -0.384 1.00 0.00 C ATOM 98 C GLU A 7 -13.674 -4.939 -1.312 1.00 0.00 C ATOM 99 O GLU A 7 -12.508 -5.098 -0.938 1.00 0.00 O ATOM 100 CB GLU A 7 -15.354 -5.329 0.520 1.00 0.00 C ATOM 101 CG GLU A 7 -14.391 -5.978 1.501 1.00 0.00 C ATOM 102 CD GLU A 7 -15.086 -6.914 2.469 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.427 -6.468 3.583 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.284 -8.094 2.115 1.00 0.00 O ATOM 0 H GLU A 7 -16.648 -3.941 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.178 -3.565 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.164 -4.859 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.803 -6.104 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.633 -6.532 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.872 -5.201 2.062 1.00 0.00 H new ATOM 111 N ASP A 8 -14.099 -5.315 -2.526 1.00 0.00 N ATOM 112 CA ASP A 8 -13.154 -5.825 -3.526 1.00 0.00 C ATOM 113 C ASP A 8 -12.059 -4.802 -3.795 1.00 0.00 C ATOM 114 O ASP A 8 -10.880 -5.150 -3.880 1.00 0.00 O ATOM 115 CB ASP A 8 -13.850 -6.170 -4.847 1.00 0.00 C ATOM 116 CG ASP A 8 -14.071 -7.660 -5.024 1.00 0.00 C ATOM 117 OD1 ASP A 8 -15.225 -8.069 -5.257 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.084 -8.417 -4.933 1.00 0.00 O ATOM 0 H ASP A 8 -15.071 -5.277 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.719 -6.737 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.811 -5.657 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.251 -5.795 -5.677 1.00 0.00 H new ATOM 123 N LYS A 9 -12.461 -3.543 -3.914 1.00 0.00 N ATOM 124 CA LYS A 9 -11.532 -2.453 -4.182 1.00 0.00 C ATOM 125 C LYS A 9 -10.616 -2.212 -2.989 1.00 0.00 C ATOM 126 O LYS A 9 -9.416 -1.983 -3.155 1.00 0.00 O ATOM 127 CB LYS A 9 -12.303 -1.175 -4.518 1.00 0.00 C ATOM 128 CG LYS A 9 -13.195 -1.311 -5.740 1.00 0.00 C ATOM 129 CD LYS A 9 -14.049 -0.073 -5.947 1.00 0.00 C ATOM 130 CE LYS A 9 -14.873 -0.179 -7.218 1.00 0.00 C ATOM 131 NZ LYS A 9 -15.699 1.033 -7.453 1.00 0.00 N ATOM 0 H LYS A 9 -13.434 -3.250 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.915 -2.733 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.914 -0.893 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.593 -0.365 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.580 -1.482 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.839 -2.183 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.711 0.062 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.410 0.808 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.209 -0.334 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.522 -1.053 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.244 0.917 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.352 1.168 -6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.080 1.864 -7.538 1.00 0.00 H new ATOM 145 N VAL A 10 -11.186 -2.270 -1.788 1.00 0.00 N ATOM 146 CA VAL A 10 -10.415 -2.084 -0.563 1.00 0.00 C ATOM 147 C VAL A 10 -9.314 -3.139 -0.472 1.00 0.00 C ATOM 148 O VAL A 10 -8.137 -2.818 -0.313 1.00 0.00 O ATOM 149 CB VAL A 10 -11.295 -2.183 0.707 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.540 -1.668 1.918 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.600 -1.428 0.555 1.00 0.00 C ATOM 0 H VAL A 10 -12.180 -2.444 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.988 -1.082 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.534 -3.237 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.174 -1.745 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.639 -2.263 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.265 -0.625 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.185 -1.525 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.391 -0.375 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.164 -1.841 -0.282 1.00 0.00 H new ATOM 161 N GLU A 11 -9.706 -4.402 -0.612 1.00 0.00 N ATOM 162 CA GLU A 11 -8.775 -5.521 -0.494 1.00 0.00 C ATOM 163 C GLU A 11 -7.797 -5.556 -1.676 1.00 0.00 C ATOM 164 O GLU A 11 -6.718 -6.141 -1.588 1.00 0.00 O ATOM 165 CB GLU A 11 -9.555 -6.836 -0.406 1.00 0.00 C ATOM 166 CG GLU A 11 -8.677 -8.062 -0.217 1.00 0.00 C ATOM 167 CD GLU A 11 -9.477 -9.344 -0.109 1.00 0.00 C ATOM 168 OE1 GLU A 11 -9.910 -9.863 -1.159 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.663 -9.832 1.024 1.00 0.00 O ATOM 0 H GLU A 11 -10.668 -4.678 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.190 -5.389 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.259 -6.774 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.143 -6.959 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.985 -8.140 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.075 -7.937 0.683 1.00 0.00 H new ATOM 176 N GLU A 12 -8.168 -4.915 -2.774 1.00 0.00 N ATOM 177 CA GLU A 12 -7.302 -4.837 -3.942 1.00 0.00 C ATOM 178 C GLU A 12 -6.139 -3.906 -3.640 1.00 0.00 C ATOM 179 O GLU A 12 -4.996 -4.157 -4.027 1.00 0.00 O ATOM 180 CB GLU A 12 -8.081 -4.344 -5.164 1.00 0.00 C ATOM 181 CG GLU A 12 -7.298 -4.429 -6.465 1.00 0.00 C ATOM 182 CD GLU A 12 -6.899 -5.850 -6.814 1.00 0.00 C ATOM 183 OE1 GLU A 12 -7.742 -6.583 -7.369 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.744 -6.228 -6.530 1.00 0.00 O ATOM 0 H GLU A 12 -9.064 -4.440 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.920 -5.832 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.995 -4.930 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.382 -3.310 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.900 -4.015 -7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.402 -3.813 -6.387 1.00 0.00 H new ATOM 191 N LEU A 13 -6.439 -2.828 -2.938 1.00 0.00 N ATOM 192 CA LEU A 13 -5.401 -1.947 -2.440 1.00 0.00 C ATOM 193 C LEU A 13 -4.687 -2.593 -1.258 1.00 0.00 C ATOM 194 O LEU A 13 -3.538 -2.279 -0.971 1.00 0.00 O ATOM 195 CB LEU A 13 -5.986 -0.593 -2.042 1.00 0.00 C ATOM 196 CG LEU A 13 -6.604 0.209 -3.189 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.032 1.578 -2.702 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.627 0.346 -4.347 1.00 0.00 C ATOM 0 H LEU A 13 -7.389 -2.543 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.676 -1.780 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.748 -0.754 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.198 0.005 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.481 -0.331 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.470 2.138 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.770 1.467 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.165 2.116 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.091 0.920 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.728 0.860 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.360 -0.644 -4.717 1.00 0.00 H new ATOM 210 N LEU A 14 -5.377 -3.507 -0.587 1.00 0.00 N ATOM 211 CA LEU A 14 -4.822 -4.238 0.545 1.00 0.00 C ATOM 212 C LEU A 14 -3.731 -5.204 0.086 1.00 0.00 C ATOM 213 O LEU A 14 -2.724 -5.393 0.767 1.00 0.00 O ATOM 214 CB LEU A 14 -5.932 -5.022 1.244 1.00 0.00 C ATOM 215 CG LEU A 14 -5.580 -5.586 2.620 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.420 -4.466 3.635 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.646 -6.569 3.076 1.00 0.00 C ATOM 0 H LEU A 14 -6.338 -3.762 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.383 -3.519 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.800 -4.371 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.230 -5.848 0.598 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.630 -6.114 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.170 -4.889 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.622 -3.796 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.353 -3.908 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.382 -6.963 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.608 -6.060 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.713 -7.390 2.362 1.00 0.00 H new ATOM 229 N SER A 15 -3.936 -5.805 -1.076 1.00 0.00 N ATOM 230 CA SER A 15 -3.006 -6.792 -1.598 1.00 0.00 C ATOM 231 C SER A 15 -1.738 -6.125 -2.120 1.00 0.00 C ATOM 232 O SER A 15 -0.645 -6.685 -2.012 1.00 0.00 O ATOM 233 CB SER A 15 -3.672 -7.639 -2.686 1.00 0.00 C ATOM 234 OG SER A 15 -4.374 -6.830 -3.613 1.00 0.00 O ATOM 0 H SER A 15 -4.741 -5.625 -1.676 1.00 0.00 H new ATOM 0 HA SER A 15 -2.720 -7.455 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.915 -8.222 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.360 -8.349 -2.227 1.00 0.00 H new ATOM 0 HG SER A 15 -4.787 -7.398 -4.296 1.00 0.00 H new ATOM 240 N LYS A 16 -1.870 -4.928 -2.685 1.00 0.00 N ATOM 241 CA LYS A 16 -0.687 -4.172 -3.070 1.00 0.00 C ATOM 242 C LYS A 16 -0.044 -3.558 -1.836 1.00 0.00 C ATOM 243 O LYS A 16 1.168 -3.417 -1.781 1.00 0.00 O ATOM 244 CB LYS A 16 -0.978 -3.090 -4.113 1.00 0.00 C ATOM 245 CG LYS A 16 -1.971 -2.036 -3.664 1.00 0.00 C ATOM 246 CD LYS A 16 -2.151 -0.929 -4.697 1.00 0.00 C ATOM 247 CE LYS A 16 -0.854 -0.175 -4.967 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.088 -0.761 -6.102 1.00 0.00 N ATOM 0 H LYS A 16 -2.761 -4.472 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 16 0.002 -4.875 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.042 -2.599 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.357 -3.567 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.934 -2.508 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.634 -1.600 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.519 -1.360 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.910 -0.229 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.081 0.869 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.236 -0.186 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.903 -0.896 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.502 -1.679 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.130 -0.118 -6.918 1.00 0.00 H new ATOM 262 N ASN A 17 -0.864 -3.207 -0.845 1.00 0.00 N ATOM 263 CA ASN A 17 -0.358 -2.786 0.460 1.00 0.00 C ATOM 264 C ASN A 17 0.515 -3.879 1.042 1.00 0.00 C ATOM 265 O ASN A 17 1.547 -3.607 1.651 1.00 0.00 O ATOM 266 CB ASN A 17 -1.508 -2.479 1.422 1.00 0.00 C ATOM 267 CG ASN A 17 -1.853 -1.006 1.465 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.978 -0.147 1.418 1.00 0.00 O ATOM 269 ND2 ASN A 17 -3.135 -0.701 1.553 1.00 0.00 N ATOM 0 H ASN A 17 -1.881 -3.206 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 17 0.228 -1.877 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.389 -3.046 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.239 -2.815 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.426 0.276 1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.834 -1.443 1.590 1.00 0.00 H new ATOM 276 N TYR A 18 0.095 -5.126 0.846 1.00 0.00 N ATOM 277 CA TYR A 18 0.914 -6.266 1.237 1.00 0.00 C ATOM 278 C TYR A 18 2.226 -6.259 0.450 1.00 0.00 C ATOM 279 O TYR A 18 3.309 -6.398 1.019 1.00 0.00 O ATOM 280 CB TYR A 18 0.160 -7.579 1.000 1.00 0.00 C ATOM 281 CG TYR A 18 0.973 -8.819 1.308 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.599 -9.534 0.292 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.118 -9.274 2.613 1.00 0.00 C ATOM 284 CE1 TYR A 18 2.343 -10.665 0.567 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.863 -10.405 2.896 1.00 0.00 C ATOM 286 CZ TYR A 18 2.473 -11.096 1.870 1.00 0.00 C ATOM 287 OH TYR A 18 3.216 -12.222 2.147 1.00 0.00 O ATOM 0 H TYR A 18 -0.800 -5.370 0.422 1.00 0.00 H new ATOM 0 HA TYR A 18 1.137 -6.187 2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.740 -7.585 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.163 -7.618 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.502 -9.199 -0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.642 -8.736 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.820 -11.209 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.966 -10.745 3.916 1.00 0.00 H new ATOM 0 HH TYR A 18 3.209 -12.389 3.113 1.00 0.00 H new ATOM 297 N HIS A 19 2.107 -6.073 -0.859 1.00 0.00 N ATOM 298 CA HIS A 19 3.256 -6.055 -1.757 1.00 0.00 C ATOM 299 C HIS A 19 4.238 -4.941 -1.386 1.00 0.00 C ATOM 300 O HIS A 19 5.426 -5.195 -1.208 1.00 0.00 O ATOM 301 CB HIS A 19 2.781 -5.882 -3.207 1.00 0.00 C ATOM 302 CG HIS A 19 3.890 -5.809 -4.211 1.00 0.00 C ATOM 303 ND1 HIS A 19 4.067 -4.737 -5.058 1.00 0.00 N ATOM 304 CD2 HIS A 19 4.876 -6.686 -4.508 1.00 0.00 C ATOM 305 CE1 HIS A 19 5.112 -4.958 -5.831 1.00 0.00 C ATOM 306 NE2 HIS A 19 5.622 -6.133 -5.517 1.00 0.00 N ATOM 0 H HIS A 19 1.212 -5.931 -1.328 1.00 0.00 H new ATOM 0 HA HIS A 19 3.779 -7.006 -1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.126 -6.715 -3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.183 -4.973 -3.276 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.044 -7.644 -4.038 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.487 -4.290 -6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.439 -6.561 -5.954 1.00 0.00 H new ATOM 315 N LEU A 20 3.733 -3.718 -1.275 1.00 0.00 N ATOM 316 CA LEU A 20 4.561 -2.557 -0.948 1.00 0.00 C ATOM 317 C LEU A 20 5.243 -2.760 0.390 1.00 0.00 C ATOM 318 O LEU A 20 6.454 -2.609 0.508 1.00 0.00 O ATOM 319 CB LEU A 20 3.718 -1.283 -0.869 1.00 0.00 C ATOM 320 CG LEU A 20 2.785 -1.019 -2.038 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.180 0.367 -1.938 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.496 -1.205 -3.371 1.00 0.00 C ATOM 0 H LEU A 20 2.745 -3.501 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 20 5.303 -2.452 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.121 -1.324 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.392 -0.432 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 20 1.978 -1.750 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.515 0.536 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.614 0.451 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.975 1.113 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.799 -1.008 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.335 -0.512 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.864 -2.228 -3.447 1.00 0.00 H new ATOM 334 N GLU A 21 4.444 -3.109 1.389 1.00 0.00 N ATOM 335 CA GLU A 21 4.951 -3.358 2.739 1.00 0.00 C ATOM 336 C GLU A 21 6.090 -4.370 2.723 1.00 0.00 C ATOM 337 O GLU A 21 7.115 -4.174 3.377 1.00 0.00 O ATOM 338 CB GLU A 21 3.827 -3.852 3.652 1.00 0.00 C ATOM 339 CG GLU A 21 3.290 -2.789 4.593 1.00 0.00 C ATOM 340 CD GLU A 21 2.026 -3.232 5.302 1.00 0.00 C ATOM 341 OE1 GLU A 21 0.927 -2.987 4.761 1.00 0.00 O ATOM 342 OE2 GLU A 21 2.136 -3.819 6.398 1.00 0.00 O ATOM 0 H GLU A 21 3.436 -3.228 1.293 1.00 0.00 H new ATOM 0 HA GLU A 21 5.336 -2.415 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.009 -4.225 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.193 -4.693 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.052 -2.544 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.088 -1.878 4.030 1.00 0.00 H new ATOM 349 N ASN A 22 5.911 -5.443 1.961 1.00 0.00 N ATOM 350 CA ASN A 22 6.941 -6.465 1.832 1.00 0.00 C ATOM 351 C ASN A 22 8.153 -5.923 1.086 1.00 0.00 C ATOM 352 O ASN A 22 9.290 -6.272 1.403 1.00 0.00 O ATOM 353 CB ASN A 22 6.397 -7.708 1.122 1.00 0.00 C ATOM 354 CG ASN A 22 5.575 -8.602 2.037 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.935 -8.019 3.040 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 5.514 -9.816 1.839 1.00 0.00 N flip ATOM 0 H ASN A 22 5.063 -5.627 1.424 1.00 0.00 H new ATOM 0 HA ASN A 22 7.251 -6.751 2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.782 -7.397 0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.230 -8.281 0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.020 -10.231 1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.958 -10.406 2.457 1.00 0.00 H new ATOM 363 N GLU A 23 7.911 -5.062 0.102 1.00 0.00 N ATOM 364 CA GLU A 23 9.001 -4.444 -0.643 1.00 0.00 C ATOM 365 C GLU A 23 9.816 -3.526 0.262 1.00 0.00 C ATOM 366 O GLU A 23 11.047 -3.578 0.259 1.00 0.00 O ATOM 367 CB GLU A 23 8.471 -3.662 -1.848 1.00 0.00 C ATOM 368 CG GLU A 23 7.866 -4.540 -2.930 1.00 0.00 C ATOM 369 CD GLU A 23 8.861 -5.526 -3.510 1.00 0.00 C ATOM 370 OE1 GLU A 23 9.621 -5.134 -4.420 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.880 -6.687 -3.052 1.00 0.00 O ATOM 0 H GLU A 23 6.977 -4.779 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 23 9.648 -5.241 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.718 -2.952 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.286 -3.080 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.018 -5.087 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.479 -3.909 -3.730 1.00 0.00 H new ATOM 378 N VAL A 24 9.124 -2.700 1.044 1.00 0.00 N ATOM 379 CA VAL A 24 9.788 -1.796 1.975 1.00 0.00 C ATOM 380 C VAL A 24 10.589 -2.590 3.000 1.00 0.00 C ATOM 381 O VAL A 24 11.740 -2.270 3.284 1.00 0.00 O ATOM 382 CB VAL A 24 8.787 -0.890 2.738 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.532 0.132 3.583 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.837 -0.185 1.787 1.00 0.00 C ATOM 0 H VAL A 24 8.106 -2.639 1.050 1.00 0.00 H new ATOM 0 HA VAL A 24 10.443 -1.162 1.377 1.00 0.00 H new ATOM 0 HB VAL A 24 8.196 -1.531 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.814 0.760 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.164 -0.385 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.152 0.754 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.150 0.441 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.408 0.437 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.270 -0.926 1.223 1.00 0.00 H new ATOM 394 N ALA A 25 9.970 -3.638 3.537 1.00 0.00 N ATOM 395 CA ALA A 25 10.591 -4.467 4.565 1.00 0.00 C ATOM 396 C ALA A 25 11.905 -5.069 4.075 1.00 0.00 C ATOM 397 O ALA A 25 12.913 -5.048 4.787 1.00 0.00 O ATOM 398 CB ALA A 25 9.631 -5.569 4.999 1.00 0.00 C ATOM 0 H ALA A 25 9.030 -3.935 3.274 1.00 0.00 H new ATOM 0 HA ALA A 25 10.816 -3.832 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.104 -6.182 5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.722 -5.122 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.380 -6.192 4.140 1.00 0.00 H new ATOM 404 N ARG A 26 11.892 -5.595 2.856 1.00 0.00 N ATOM 405 CA ARG A 26 13.085 -6.193 2.272 1.00 0.00 C ATOM 406 C ARG A 26 14.156 -5.137 2.034 1.00 0.00 C ATOM 407 O ARG A 26 15.309 -5.315 2.420 1.00 0.00 O ATOM 408 CB ARG A 26 12.746 -6.905 0.962 1.00 0.00 C ATOM 409 CG ARG A 26 11.861 -8.136 1.129 1.00 0.00 C ATOM 410 CD ARG A 26 12.579 -9.267 1.859 1.00 0.00 C ATOM 411 NE ARG A 26 12.813 -8.964 3.272 1.00 0.00 N ATOM 412 CZ ARG A 26 13.815 -9.471 3.991 1.00 0.00 C ATOM 413 NH1 ARG A 26 14.679 -10.313 3.438 1.00 0.00 N ATOM 414 NH2 ARG A 26 13.949 -9.135 5.264 1.00 0.00 N ATOM 0 H ARG A 26 11.069 -5.619 2.254 1.00 0.00 H new ATOM 0 HA ARG A 26 13.473 -6.928 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.247 -6.200 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.674 -7.202 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.962 -7.863 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.539 -8.486 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.988 -10.179 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.533 -9.462 1.370 1.00 0.00 H new ATOM 0 HE ARG A 26 12.168 -8.324 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.579 -10.576 2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.443 -10.697 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.286 -8.489 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.715 -9.522 5.816 1.00 0.00 H new ATOM 428 N LEU A 27 13.762 -4.032 1.418 1.00 0.00 N ATOM 429 CA LEU A 27 14.686 -2.941 1.128 1.00 0.00 C ATOM 430 C LEU A 27 15.276 -2.365 2.413 1.00 0.00 C ATOM 431 O LEU A 27 16.456 -2.013 2.459 1.00 0.00 O ATOM 432 CB LEU A 27 13.978 -1.840 0.341 1.00 0.00 C ATOM 433 CG LEU A 27 14.048 -1.947 -1.190 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.818 -3.369 -1.672 1.00 0.00 C ATOM 435 CD2 LEU A 27 13.027 -1.021 -1.820 1.00 0.00 C ATOM 0 H LEU A 27 12.805 -3.865 1.108 1.00 0.00 H new ATOM 0 HA LEU A 27 15.501 -3.343 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.929 -1.829 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.402 -0.881 0.637 1.00 0.00 H new ATOM 0 HG LEU A 27 15.052 -1.652 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.876 -3.398 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.580 -4.024 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.832 -3.707 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.083 -1.103 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.028 -1.300 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.235 0.007 -1.522 1.00 0.00 H new ATOM 447 N LYS A 28 14.451 -2.280 3.455 1.00 0.00 N ATOM 448 CA LYS A 28 14.898 -1.794 4.756 1.00 0.00 C ATOM 449 C LYS A 28 16.008 -2.669 5.323 1.00 0.00 C ATOM 450 O LYS A 28 16.844 -2.197 6.085 1.00 0.00 O ATOM 451 CB LYS A 28 13.737 -1.742 5.753 1.00 0.00 C ATOM 452 CG LYS A 28 12.968 -0.432 5.740 1.00 0.00 C ATOM 453 CD LYS A 28 13.840 0.724 6.208 1.00 0.00 C ATOM 454 CE LYS A 28 13.073 2.034 6.224 1.00 0.00 C ATOM 455 NZ LYS A 28 13.889 3.147 6.778 1.00 0.00 N ATOM 0 H LYS A 28 13.466 -2.543 3.422 1.00 0.00 H new ATOM 0 HA LYS A 28 15.285 -0.786 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.048 -2.558 5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.126 -1.913 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.604 -0.231 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.093 -0.515 6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.220 0.512 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.705 0.817 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.759 2.283 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.167 1.917 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.330 4.024 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.167 2.921 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.741 3.276 6.196 1.00 0.00 H new ATOM 469 N LYS A 29 16.008 -3.942 4.956 1.00 0.00 N ATOM 470 CA LYS A 29 17.045 -4.863 5.401 1.00 0.00 C ATOM 471 C LYS A 29 18.367 -4.567 4.692 1.00 0.00 C ATOM 472 O LYS A 29 19.437 -4.651 5.293 1.00 0.00 O ATOM 473 CB LYS A 29 16.608 -6.312 5.148 1.00 0.00 C ATOM 474 CG LYS A 29 17.680 -7.351 5.445 1.00 0.00 C ATOM 475 CD LYS A 29 18.149 -7.290 6.891 1.00 0.00 C ATOM 476 CE LYS A 29 19.180 -8.370 7.187 1.00 0.00 C ATOM 477 NZ LYS A 29 20.369 -8.271 6.299 1.00 0.00 N ATOM 0 H LYS A 29 15.302 -4.361 4.351 1.00 0.00 H new ATOM 0 HA LYS A 29 17.196 -4.727 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.731 -6.527 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.302 -6.410 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.289 -8.346 5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.530 -7.194 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.579 -6.309 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.295 -7.408 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.498 -8.291 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.720 -9.351 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.159 -8.805 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.139 -8.666 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.642 -7.273 6.195 1.00 0.00 H new ATOM 491 N LEU A 30 18.280 -4.185 3.427 1.00 0.00 N ATOM 492 CA LEU A 30 19.466 -3.926 2.616 1.00 0.00 C ATOM 493 C LEU A 30 20.063 -2.562 2.938 1.00 0.00 C ATOM 494 O LEU A 30 21.283 -2.401 2.976 1.00 0.00 O ATOM 495 CB LEU A 30 19.147 -4.021 1.120 1.00 0.00 C ATOM 496 CG LEU A 30 19.096 -5.442 0.546 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.911 -6.222 1.090 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.056 -5.400 -0.972 1.00 0.00 C ATOM 0 H LEU A 30 17.397 -4.046 2.935 1.00 0.00 H new ATOM 0 HA LEU A 30 20.201 -4.693 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.186 -3.540 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.896 -3.452 0.569 1.00 0.00 H new ATOM 0 HG LEU A 30 20.003 -5.959 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.907 -7.224 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.989 -6.292 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.986 -5.710 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.020 -6.417 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.170 -4.854 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.949 -4.899 -1.346 1.00 0.00 H new ATOM 510 N VAL A 31 19.203 -1.579 3.159 1.00 0.00 N ATOM 511 CA VAL A 31 19.655 -0.263 3.596 1.00 0.00 C ATOM 512 C VAL A 31 20.018 -0.323 5.078 1.00 0.00 C ATOM 513 O VAL A 31 20.838 0.454 5.577 1.00 0.00 O ATOM 514 CB VAL A 31 18.569 0.817 3.373 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.080 2.194 3.769 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.101 0.818 1.925 1.00 0.00 C ATOM 0 H VAL A 31 18.193 -1.665 3.044 1.00 0.00 H new ATOM 0 HA VAL A 31 20.527 0.012 3.002 1.00 0.00 H new ATOM 0 HB VAL A 31 17.719 0.575 4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.297 2.934 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.357 2.190 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.952 2.446 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.338 1.584 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.946 1.028 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.683 -0.158 1.677 1.00 0.00 H new ATOM 526 N GLY A 32 19.406 -1.276 5.761 1.00 0.00 N ATOM 527 CA GLY A 32 19.620 -1.455 7.177 1.00 0.00 C ATOM 528 C GLY A 32 20.961 -2.079 7.492 1.00 0.00 C ATOM 529 O GLY A 32 21.810 -1.456 8.133 1.00 0.00 O ATOM 0 H GLY A 32 18.752 -1.941 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.548 -0.489 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.827 -2.083 7.583 1.00 0.00 H new ATOM 533 N GLU A 33 21.160 -3.305 7.033 1.00 0.00 N ATOM 534 CA GLU A 33 22.377 -4.042 7.320 1.00 0.00 C ATOM 535 C GLU A 33 22.630 -5.096 6.247 1.00 0.00 C ATOM 536 O GLU A 33 23.500 -4.862 5.384 1.00 0.00 O ATOM 537 CB GLU A 33 22.304 -4.673 8.717 1.00 0.00 C ATOM 538 CG GLU A 33 21.002 -5.407 9.002 1.00 0.00 C ATOM 539 CD GLU A 33 20.956 -5.988 10.401 1.00 0.00 C ATOM 540 OE1 GLU A 33 20.465 -5.294 11.313 1.00 0.00 O ATOM 541 OE2 GLU A 33 21.409 -7.136 10.584 1.00 0.00 O ATOM 542 OXT GLU A 33 21.945 -6.139 6.249 1.00 0.00 O ATOM 0 H GLU A 33 20.488 -3.812 6.456 1.00 0.00 H new ATOM 0 HA GLU A 33 23.218 -3.348 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 33 23.134 -5.370 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 33 22.438 -3.891 9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 33 20.166 -4.721 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 33 20.874 -6.209 8.275 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -26.292 5.195 3.706 1.00 0.00 N ATOM 551 CA GLY B 1 -25.275 5.289 2.636 1.00 0.00 C ATOM 552 C GLY B 1 -24.020 4.522 2.979 1.00 0.00 C ATOM 553 O GLY B 1 -23.617 4.471 4.141 1.00 0.00 O ATOM 0 H1 GLY B 1 -27.073 4.585 3.390 1.00 0.00 H new ATOM 0 H2 GLY B 1 -25.860 4.790 4.561 1.00 0.00 H new ATOM 0 H3 GLY B 1 -26.659 6.144 3.920 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.692 4.905 1.705 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -25.025 6.336 2.465 1.00 0.00 H new ATOM 559 N SER B 2 -23.406 3.911 1.979 1.00 0.00 N ATOM 560 CA SER B 2 -22.197 3.131 2.192 1.00 0.00 C ATOM 561 C SER B 2 -21.073 3.573 1.259 1.00 0.00 C ATOM 562 O SER B 2 -19.914 3.212 1.460 1.00 0.00 O ATOM 563 CB SER B 2 -22.503 1.649 1.977 1.00 0.00 C ATOM 564 OG SER B 2 -23.181 1.449 0.748 1.00 0.00 O ATOM 0 H SER B 2 -23.725 3.940 1.011 1.00 0.00 H new ATOM 0 HA SER B 2 -21.861 3.295 3.216 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.575 1.077 1.983 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.113 1.276 2.799 1.00 0.00 H new ATOM 0 HG SER B 2 -23.366 0.494 0.628 1.00 0.00 H new ATOM 570 N MET B 3 -21.420 4.383 0.262 1.00 0.00 N ATOM 571 CA MET B 3 -20.477 4.773 -0.786 1.00 0.00 C ATOM 572 C MET B 3 -19.245 5.456 -0.204 1.00 0.00 C ATOM 573 O MET B 3 -18.123 5.001 -0.403 1.00 0.00 O ATOM 574 CB MET B 3 -21.145 5.714 -1.794 1.00 0.00 C ATOM 575 CG MET B 3 -22.383 5.144 -2.478 1.00 0.00 C ATOM 576 SD MET B 3 -22.036 3.749 -3.574 1.00 0.00 S ATOM 577 CE MET B 3 -22.118 2.363 -2.438 1.00 0.00 C ATOM 0 H MET B 3 -22.352 4.784 0.157 1.00 0.00 H new ATOM 0 HA MET B 3 -20.164 3.859 -1.292 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.422 6.635 -1.281 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.416 5.982 -2.558 1.00 0.00 H new ATOM 0 HG2 MET B 3 -23.094 4.826 -1.715 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.865 5.935 -3.053 1.00 0.00 H new ATOM 0 HE1 MET B 3 -21.114 1.976 -2.263 1.00 0.00 H new ATOM 0 HE2 MET B 3 -22.550 2.692 -1.493 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.740 1.577 -2.867 1.00 0.00 H new ATOM 587 N LYS B 4 -19.465 6.526 0.546 1.00 0.00 N ATOM 588 CA LYS B 4 -18.369 7.338 1.065 1.00 0.00 C ATOM 589 C LYS B 4 -17.635 6.623 2.191 1.00 0.00 C ATOM 590 O LYS B 4 -16.483 6.927 2.474 1.00 0.00 O ATOM 591 CB LYS B 4 -18.890 8.685 1.574 1.00 0.00 C ATOM 592 CG LYS B 4 -19.652 9.488 0.531 1.00 0.00 C ATOM 593 CD LYS B 4 -20.009 10.883 1.034 1.00 0.00 C ATOM 594 CE LYS B 4 -18.870 11.885 0.840 1.00 0.00 C ATOM 595 NZ LYS B 4 -17.656 11.552 1.636 1.00 0.00 N ATOM 0 H LYS B 4 -20.394 6.854 0.810 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.671 7.506 0.244 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -19.541 8.511 2.430 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.047 9.278 1.930 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.050 9.572 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.564 8.956 0.259 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -20.895 11.239 0.509 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.265 10.830 2.092 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -18.605 11.924 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -19.218 12.880 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -17.073 12.405 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -17.941 11.195 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -17.105 10.823 1.140 1.00 0.00 H new ATOM 609 N GLN B 5 -18.294 5.651 2.796 1.00 0.00 N ATOM 610 CA GLN B 5 -17.766 4.965 3.967 1.00 0.00 C ATOM 611 C GLN B 5 -16.888 3.808 3.538 1.00 0.00 C ATOM 612 O GLN B 5 -15.785 3.623 4.049 1.00 0.00 O ATOM 613 CB GLN B 5 -18.907 4.458 4.849 1.00 0.00 C ATOM 614 CG GLN B 5 -19.768 5.568 5.427 1.00 0.00 C ATOM 615 CD GLN B 5 -20.918 5.037 6.259 1.00 0.00 C ATOM 616 OE1 GLN B 5 -20.827 3.963 6.855 1.00 0.00 O ATOM 617 NE2 GLN B 5 -22.010 5.785 6.304 1.00 0.00 N ATOM 0 H GLN B 5 -19.208 5.314 2.492 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.168 5.671 4.544 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.537 3.788 4.264 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.490 3.870 5.667 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.149 6.220 6.043 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.163 6.178 4.614 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -22.044 6.669 5.796 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -22.817 5.478 6.847 1.00 0.00 H new ATOM 626 N LEU B 6 -17.381 3.034 2.584 1.00 0.00 N ATOM 627 CA LEU B 6 -16.593 1.968 1.999 1.00 0.00 C ATOM 628 C LEU B 6 -15.434 2.573 1.229 1.00 0.00 C ATOM 629 O LEU B 6 -14.300 2.109 1.331 1.00 0.00 O ATOM 630 CB LEU B 6 -17.449 1.095 1.073 1.00 0.00 C ATOM 631 CG LEU B 6 -18.210 -0.071 1.730 1.00 0.00 C ATOM 632 CD1 LEU B 6 -17.254 -1.183 2.143 1.00 0.00 C ATOM 633 CD2 LEU B 6 -19.013 0.404 2.932 1.00 0.00 C ATOM 0 H LEU B 6 -18.322 3.126 2.201 1.00 0.00 H new ATOM 0 HA LEU B 6 -16.212 1.331 2.797 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.175 1.738 0.575 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.802 0.685 0.298 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.904 -0.468 0.989 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.817 -1.994 2.604 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.731 -1.559 1.263 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.529 -0.793 2.857 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.539 -0.441 3.375 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.340 0.839 3.670 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.736 1.155 2.613 1.00 0.00 H new ATOM 645 N GLU B 7 -15.720 3.636 0.479 1.00 0.00 N ATOM 646 CA GLU B 7 -14.681 4.348 -0.251 1.00 0.00 C ATOM 647 C GLU B 7 -13.690 4.999 0.715 1.00 0.00 C ATOM 648 O GLU B 7 -12.513 5.155 0.385 1.00 0.00 O ATOM 649 CB GLU B 7 -15.290 5.396 -1.184 1.00 0.00 C ATOM 650 CG GLU B 7 -14.283 6.039 -2.124 1.00 0.00 C ATOM 651 CD GLU B 7 -14.936 6.976 -3.119 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.231 6.529 -4.246 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.156 8.155 -2.771 1.00 0.00 O ATOM 0 H GLU B 7 -16.658 4.019 0.363 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.141 3.624 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.078 4.929 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.761 6.174 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.546 6.590 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.744 5.260 -2.663 1.00 0.00 H new ATOM 660 N ASP B 8 -14.161 5.377 1.912 1.00 0.00 N ATOM 661 CA ASP B 8 -13.251 5.880 2.946 1.00 0.00 C ATOM 662 C ASP B 8 -12.174 4.850 3.255 1.00 0.00 C ATOM 663 O ASP B 8 -10.996 5.184 3.367 1.00 0.00 O ATOM 664 CB ASP B 8 -13.990 6.235 4.239 1.00 0.00 C ATOM 665 CG ASP B 8 -14.194 7.726 4.404 1.00 0.00 C ATOM 666 OD1 ASP B 8 -15.352 8.153 4.578 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.192 8.467 4.358 1.00 0.00 O ATOM 0 H ASP B 8 -15.144 5.345 2.183 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.795 6.788 2.551 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.959 5.737 4.247 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.428 5.853 5.091 1.00 0.00 H new ATOM 672 N LYS B 9 -12.591 3.597 3.367 1.00 0.00 N ATOM 673 CA LYS B 9 -11.680 2.501 3.673 1.00 0.00 C ATOM 674 C LYS B 9 -10.719 2.251 2.517 1.00 0.00 C ATOM 675 O LYS B 9 -9.527 2.014 2.731 1.00 0.00 O ATOM 676 CB LYS B 9 -12.476 1.232 3.981 1.00 0.00 C ATOM 677 CG LYS B 9 -13.416 1.379 5.166 1.00 0.00 C ATOM 678 CD LYS B 9 -14.289 0.150 5.342 1.00 0.00 C ATOM 679 CE LYS B 9 -15.156 0.261 6.583 1.00 0.00 C ATOM 680 NZ LYS B 9 -15.996 -0.949 6.788 1.00 0.00 N ATOM 0 H LYS B 9 -13.563 3.312 3.249 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.092 2.777 4.549 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.055 0.953 3.101 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.781 0.415 4.178 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.835 1.547 6.073 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.047 2.257 5.024 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.922 0.023 4.464 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.661 -0.738 5.413 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -14.521 0.413 7.456 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -15.798 1.138 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -16.572 -0.831 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -16.621 -1.081 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.384 -1.783 6.894 1.00 0.00 H new ATOM 694 N VAL B 10 -11.240 2.313 1.294 1.00 0.00 N ATOM 695 CA VAL B 10 -10.421 2.116 0.103 1.00 0.00 C ATOM 696 C VAL B 10 -9.310 3.164 0.056 1.00 0.00 C ATOM 697 O VAL B 10 -8.129 2.834 -0.049 1.00 0.00 O ATOM 698 CB VAL B 10 -11.248 2.219 -1.202 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.447 1.696 -2.381 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.566 1.474 -1.101 1.00 0.00 C ATOM 0 H VAL B 10 -12.225 2.498 1.103 1.00 0.00 H new ATOM 0 HA VAL B 10 -10.004 1.111 0.168 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.474 3.274 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.043 1.776 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.536 2.284 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.186 0.652 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.113 1.573 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.374 0.420 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.160 1.893 -0.289 1.00 0.00 H new ATOM 710 N GLU B 11 -9.700 4.429 0.175 1.00 0.00 N ATOM 711 CA GLU B 11 -8.757 5.541 0.097 1.00 0.00 C ATOM 712 C GLU B 11 -7.828 5.572 1.317 1.00 0.00 C ATOM 713 O GLU B 11 -6.742 6.149 1.270 1.00 0.00 O ATOM 714 CB GLU B 11 -9.523 6.864 -0.024 1.00 0.00 C ATOM 715 CG GLU B 11 -8.629 8.083 -0.182 1.00 0.00 C ATOM 716 CD GLU B 11 -9.419 9.367 -0.327 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.901 9.887 0.701 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.552 9.857 -1.466 1.00 0.00 O ATOM 0 H GLU B 11 -10.668 4.711 0.327 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.137 5.401 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.195 6.806 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.145 6.994 0.862 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -7.971 8.161 0.683 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -7.992 7.951 -1.057 1.00 0.00 H new ATOM 725 N GLU B 12 -8.248 4.938 2.402 1.00 0.00 N ATOM 726 CA GLU B 12 -7.429 4.855 3.602 1.00 0.00 C ATOM 727 C GLU B 12 -6.262 3.916 3.347 1.00 0.00 C ATOM 728 O GLU B 12 -5.133 4.164 3.773 1.00 0.00 O ATOM 729 CB GLU B 12 -8.259 4.368 4.793 1.00 0.00 C ATOM 730 CG GLU B 12 -7.530 4.456 6.124 1.00 0.00 C ATOM 731 CD GLU B 12 -7.136 5.878 6.480 1.00 0.00 C ATOM 732 OE1 GLU B 12 -7.998 6.624 6.987 1.00 0.00 O ATOM 733 OE2 GLU B 12 -5.963 6.244 6.254 1.00 0.00 O ATOM 0 H GLU B 12 -9.153 4.473 2.476 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.049 5.847 3.844 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.175 4.956 4.851 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.555 3.334 4.619 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.167 4.052 6.911 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.636 3.834 6.086 1.00 0.00 H new ATOM 740 N LEU B 13 -6.540 2.838 2.636 1.00 0.00 N ATOM 741 CA LEU B 13 -5.489 1.950 2.184 1.00 0.00 C ATOM 742 C LEU B 13 -4.724 2.588 1.028 1.00 0.00 C ATOM 743 O LEU B 13 -3.566 2.268 0.791 1.00 0.00 O ATOM 744 CB LEU B 13 -6.066 0.599 1.764 1.00 0.00 C ATOM 745 CG LEU B 13 -6.737 -0.196 2.886 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.154 -1.562 2.383 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.810 -0.334 4.086 1.00 0.00 C ATOM 0 H LEU B 13 -7.482 2.559 2.361 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.798 1.781 3.010 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.795 0.763 0.970 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.264 -0.006 1.341 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.626 0.349 3.205 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.630 -2.118 3.191 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.857 -1.447 1.558 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.275 -2.106 2.037 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.311 -0.903 4.869 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.900 -0.854 3.785 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.554 0.656 4.464 1.00 0.00 H new ATOM 759 N LEU B 14 -5.382 3.502 0.328 1.00 0.00 N ATOM 760 CA LEU B 14 -4.775 4.228 -0.781 1.00 0.00 C ATOM 761 C LEU B 14 -3.699 5.188 -0.281 1.00 0.00 C ATOM 762 O LEU B 14 -2.666 5.372 -0.925 1.00 0.00 O ATOM 763 CB LEU B 14 -5.850 5.018 -1.527 1.00 0.00 C ATOM 764 CG LEU B 14 -5.438 5.579 -2.889 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.247 4.457 -3.895 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.475 6.573 -3.388 1.00 0.00 C ATOM 0 H LEU B 14 -6.351 3.762 0.512 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.312 3.504 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.717 4.372 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.169 5.847 -0.895 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.487 6.099 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.954 4.877 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.468 3.781 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.181 3.907 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.168 6.963 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.439 6.074 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.563 7.395 -2.677 1.00 0.00 H new ATOM 778 N SER B 15 -3.946 5.793 0.872 1.00 0.00 N ATOM 779 CA SER B 15 -3.030 6.774 1.431 1.00 0.00 C ATOM 780 C SER B 15 -1.789 6.098 2.001 1.00 0.00 C ATOM 781 O SER B 15 -0.687 6.645 1.926 1.00 0.00 O ATOM 782 CB SER B 15 -3.732 7.630 2.490 1.00 0.00 C ATOM 783 OG SER B 15 -4.471 6.829 3.397 1.00 0.00 O ATOM 0 H SER B 15 -4.776 5.620 1.439 1.00 0.00 H new ATOM 0 HA SER B 15 -2.707 7.435 0.627 1.00 0.00 H new ATOM 0 HB2 SER B 15 -2.992 8.213 3.037 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.400 8.340 2.002 1.00 0.00 H new ATOM 0 HG SER B 15 -4.297 5.882 3.214 1.00 0.00 H new ATOM 789 N LYS B 16 -1.952 4.905 2.566 1.00 0.00 N ATOM 790 CA LYS B 16 -0.789 4.141 2.998 1.00 0.00 C ATOM 791 C LYS B 16 -0.103 3.519 1.792 1.00 0.00 C ATOM 792 O LYS B 16 1.110 3.368 1.785 1.00 0.00 O ATOM 793 CB LYS B 16 -1.129 3.066 4.031 1.00 0.00 C ATOM 794 CG LYS B 16 -2.108 2.014 3.543 1.00 0.00 C ATOM 795 CD LYS B 16 -2.338 0.911 4.570 1.00 0.00 C ATOM 796 CE LYS B 16 -1.058 0.146 4.896 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.339 0.727 6.064 1.00 0.00 N ATOM 0 H LYS B 16 -2.853 4.457 2.732 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.112 4.840 3.490 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.208 2.572 4.340 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.544 3.548 4.916 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -3.060 2.490 3.306 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.733 1.574 2.619 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.741 1.347 5.484 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.088 0.216 4.192 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.302 -0.896 5.103 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.401 0.153 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.668 0.840 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -0.747 1.655 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.436 0.092 6.882 1.00 0.00 H new ATOM 811 N ASN B 17 -0.885 3.171 0.770 1.00 0.00 N ATOM 812 CA ASN B 17 -0.328 2.744 -0.513 1.00 0.00 C ATOM 813 C ASN B 17 0.574 3.832 -1.063 1.00 0.00 C ATOM 814 O ASN B 17 1.625 3.551 -1.636 1.00 0.00 O ATOM 815 CB ASN B 17 -1.440 2.442 -1.520 1.00 0.00 C ATOM 816 CG ASN B 17 -1.794 0.971 -1.571 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.926 0.109 -1.482 1.00 0.00 O ATOM 818 ND2 ASN B 17 -3.073 0.675 -1.710 1.00 0.00 N ATOM 0 H ASN B 17 -1.904 3.176 0.806 1.00 0.00 H new ATOM 0 HA ASN B 17 0.248 1.832 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.328 3.017 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.127 2.771 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.370 -0.300 -1.747 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.764 1.421 -1.781 1.00 0.00 H new ATOM 825 N TYR B 18 0.157 5.082 -0.882 1.00 0.00 N ATOM 826 CA TYR B 18 1.002 6.214 -1.243 1.00 0.00 C ATOM 827 C TYR B 18 2.278 6.196 -0.405 1.00 0.00 C ATOM 828 O TYR B 18 3.385 6.318 -0.932 1.00 0.00 O ATOM 829 CB TYR B 18 0.249 7.532 -1.039 1.00 0.00 C ATOM 830 CG TYR B 18 1.084 8.765 -1.318 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.672 9.476 -0.279 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.285 9.215 -2.617 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.435 10.599 -0.526 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.047 10.339 -2.871 1.00 0.00 C ATOM 835 CZ TYR B 18 2.619 11.027 -1.823 1.00 0.00 C ATOM 836 OH TYR B 18 3.378 12.149 -2.071 1.00 0.00 O ATOM 0 H TYR B 18 -0.751 5.334 -0.492 1.00 0.00 H new ATOM 0 HA TYR B 18 1.269 6.132 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.626 7.543 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.115 7.576 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.529 9.144 0.739 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.839 8.678 -3.441 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.886 11.140 0.293 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.194 10.677 -3.886 1.00 0.00 H new ATOM 0 HH TYR B 18 3.410 12.315 -3.036 1.00 0.00 H new ATOM 846 N HIS B 19 2.105 6.016 0.900 1.00 0.00 N ATOM 847 CA HIS B 19 3.218 5.993 1.843 1.00 0.00 C ATOM 848 C HIS B 19 4.207 4.872 1.512 1.00 0.00 C ATOM 849 O HIS B 19 5.402 5.118 1.378 1.00 0.00 O ATOM 850 CB HIS B 19 2.684 5.827 3.271 1.00 0.00 C ATOM 851 CG HIS B 19 3.750 5.754 4.323 1.00 0.00 C ATOM 852 ND1 HIS B 19 3.885 4.683 5.181 1.00 0.00 N ATOM 853 CD2 HIS B 19 4.725 6.630 4.661 1.00 0.00 C ATOM 854 CE1 HIS B 19 4.895 4.905 6.000 1.00 0.00 C ATOM 855 NE2 HIS B 19 5.422 6.077 5.705 1.00 0.00 N ATOM 0 H HIS B 19 1.191 5.882 1.333 1.00 0.00 H new ATOM 0 HA HIS B 19 3.752 6.940 1.764 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.022 6.663 3.498 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.081 4.920 3.318 1.00 0.00 H new ATOM 0 HD2 HIS B 19 4.918 7.585 4.196 1.00 0.00 H new ATOM 0 HE1 HIS B 19 5.233 4.239 6.780 1.00 0.00 H new ATOM 0 HE2 HIS B 19 6.219 6.504 6.177 1.00 0.00 H new ATOM 864 N LEU B 20 3.698 3.652 1.385 1.00 0.00 N ATOM 865 CA LEU B 20 4.530 2.484 1.093 1.00 0.00 C ATOM 866 C LEU B 20 5.267 2.680 -0.216 1.00 0.00 C ATOM 867 O LEU B 20 6.481 2.519 -0.285 1.00 0.00 O ATOM 868 CB LEU B 20 3.683 1.215 0.983 1.00 0.00 C ATOM 869 CG LEU B 20 2.701 0.960 2.113 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.090 -0.421 1.992 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.358 1.145 3.473 1.00 0.00 C ATOM 0 H LEU B 20 2.704 3.442 1.480 1.00 0.00 H new ATOM 0 HA LEU B 20 5.239 2.375 1.914 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.125 1.257 0.048 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.356 0.360 0.915 1.00 0.00 H new ATOM 0 HG LEU B 20 1.902 1.697 2.030 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.390 -0.582 2.812 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.562 -0.503 1.042 1.00 0.00 H new ATOM 0 HD13 LEU B 20 2.878 -1.173 2.035 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.627 0.955 4.259 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.189 0.447 3.574 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.729 2.166 3.562 1.00 0.00 H new ATOM 883 N GLU B 21 4.512 3.031 -1.248 1.00 0.00 N ATOM 884 CA GLU B 21 5.073 3.274 -2.577 1.00 0.00 C ATOM 885 C GLU B 21 6.218 4.279 -2.516 1.00 0.00 C ATOM 886 O GLU B 21 7.267 4.075 -3.126 1.00 0.00 O ATOM 887 CB GLU B 21 3.991 3.775 -3.535 1.00 0.00 C ATOM 888 CG GLU B 21 3.486 2.714 -4.497 1.00 0.00 C ATOM 889 CD GLU B 21 2.255 3.163 -5.257 1.00 0.00 C ATOM 890 OE1 GLU B 21 1.135 2.928 -4.758 1.00 0.00 O ATOM 891 OE2 GLU B 21 2.408 3.748 -6.348 1.00 0.00 O ATOM 0 H GLU B 21 3.501 3.155 -1.193 1.00 0.00 H new ATOM 0 HA GLU B 21 5.465 2.327 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.151 4.154 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.386 4.614 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.276 2.464 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.256 1.804 -3.942 1.00 0.00 H new ATOM 898 N ASN B 22 6.016 5.353 -1.764 1.00 0.00 N ATOM 899 CA ASN B 22 7.048 6.371 -1.598 1.00 0.00 C ATOM 900 C ASN B 22 8.224 5.822 -0.802 1.00 0.00 C ATOM 901 O ASN B 22 9.378 6.161 -1.072 1.00 0.00 O ATOM 902 CB ASN B 22 6.485 7.619 -0.913 1.00 0.00 C ATOM 903 CG ASN B 22 5.711 8.517 -1.864 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.106 7.930 -2.886 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 5.663 9.734 -1.684 1.00 0.00 N flip ATOM 0 H ASN B 22 5.150 5.543 -1.260 1.00 0.00 H new ATOM 0 HA ASN B 22 7.399 6.653 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.831 7.315 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.305 8.186 -0.472 1.00 0.00 H new ATOM 0 HD21 ASN B 22 6.142 10.151 -0.885 1.00 0.00 H new ATOM 0 HD22 ASN B 22 5.145 10.326 -2.333 1.00 0.00 H new ATOM 912 N GLU B 23 7.935 4.963 0.170 1.00 0.00 N ATOM 913 CA GLU B 23 8.990 4.339 0.961 1.00 0.00 C ATOM 914 C GLU B 23 9.834 3.412 0.093 1.00 0.00 C ATOM 915 O GLU B 23 11.065 3.451 0.149 1.00 0.00 O ATOM 916 CB GLU B 23 8.406 3.565 2.145 1.00 0.00 C ATOM 917 CG GLU B 23 7.765 4.451 3.201 1.00 0.00 C ATOM 918 CD GLU B 23 8.747 5.427 3.821 1.00 0.00 C ATOM 919 OE1 GLU B 23 9.468 5.026 4.756 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.796 6.590 3.369 1.00 0.00 O ATOM 0 H GLU B 23 6.988 4.685 0.428 1.00 0.00 H new ATOM 0 HA GLU B 23 9.627 5.132 1.352 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.661 2.860 1.775 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.198 2.977 2.609 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.941 5.006 2.752 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.338 3.825 3.984 1.00 0.00 H new ATOM 927 N VAL B 24 9.169 2.591 -0.715 1.00 0.00 N ATOM 928 CA VAL B 24 9.863 1.678 -1.616 1.00 0.00 C ATOM 929 C VAL B 24 10.712 2.464 -2.611 1.00 0.00 C ATOM 930 O VAL B 24 11.871 2.135 -2.847 1.00 0.00 O ATOM 931 CB VAL B 24 8.889 0.778 -2.417 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.660 -0.251 -3.226 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.896 0.083 -1.505 1.00 0.00 C ATOM 0 H VAL B 24 8.151 2.540 -0.764 1.00 0.00 H new ATOM 0 HA VAL B 24 10.487 1.041 -0.989 1.00 0.00 H new ATOM 0 HB VAL B 24 8.330 1.422 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.960 -0.875 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.326 0.258 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.248 -0.876 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.229 -0.540 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.433 -0.541 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.312 0.830 -0.967 1.00 0.00 H new ATOM 943 N ALA B 25 10.121 3.514 -3.174 1.00 0.00 N ATOM 944 CA ALA B 25 10.790 4.337 -4.175 1.00 0.00 C ATOM 945 C ALA B 25 12.087 4.933 -3.632 1.00 0.00 C ATOM 946 O ALA B 25 13.123 4.909 -4.302 1.00 0.00 O ATOM 947 CB ALA B 25 9.856 5.445 -4.648 1.00 0.00 C ATOM 0 H ALA B 25 9.173 3.816 -2.951 1.00 0.00 H new ATOM 0 HA ALA B 25 11.047 3.698 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.364 6.055 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA B 25 8.961 5.004 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.574 6.070 -3.801 1.00 0.00 H new ATOM 953 N ARG B 26 12.028 5.462 -2.417 1.00 0.00 N ATOM 954 CA ARG B 26 13.202 6.051 -1.784 1.00 0.00 C ATOM 955 C ARG B 26 14.254 4.987 -1.505 1.00 0.00 C ATOM 956 O ARG B 26 15.421 5.152 -1.854 1.00 0.00 O ATOM 957 CB ARG B 26 12.816 6.768 -0.489 1.00 0.00 C ATOM 958 CG ARG B 26 11.948 8.005 -0.695 1.00 0.00 C ATOM 959 CD ARG B 26 12.700 9.126 -1.403 1.00 0.00 C ATOM 960 NE ARG B 26 12.977 8.820 -2.808 1.00 0.00 N ATOM 961 CZ ARG B 26 14.013 9.311 -3.490 1.00 0.00 C ATOM 962 NH1 ARG B 26 14.866 10.146 -2.910 1.00 0.00 N ATOM 963 NH2 ARG B 26 14.190 8.972 -4.758 1.00 0.00 N ATOM 0 H ARG B 26 11.181 5.496 -1.850 1.00 0.00 H new ATOM 0 HA ARG B 26 13.625 6.783 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.285 6.068 0.156 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.725 7.059 0.037 1.00 0.00 H new ATOM 0 HG2 ARG B 26 11.068 7.736 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.593 8.362 0.272 1.00 0.00 H new ATOM 0 HD2 ARG B 26 12.116 10.044 -1.344 1.00 0.00 H new ATOM 0 HD3 ARG B 26 13.640 9.312 -0.884 1.00 0.00 H new ATOM 0 HE ARG B 26 12.338 8.192 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG B 26 14.732 10.417 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG B 26 15.656 10.517 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG B 26 13.534 8.336 -5.212 1.00 0.00 H new ATOM 0 HH22 ARG B 26 14.982 9.347 -5.280 1.00 0.00 H new ATOM 977 N LEU B 27 13.829 3.886 -0.900 1.00 0.00 N ATOM 978 CA LEU B 27 14.734 2.787 -0.574 1.00 0.00 C ATOM 979 C LEU B 27 15.370 2.201 -1.835 1.00 0.00 C ATOM 980 O LEU B 27 16.547 1.836 -1.835 1.00 0.00 O ATOM 981 CB LEU B 27 13.987 1.695 0.189 1.00 0.00 C ATOM 982 CG LEU B 27 13.996 1.805 1.721 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.756 3.230 2.192 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.943 0.887 2.311 1.00 0.00 C ATOM 0 H LEU B 27 12.860 3.728 -0.623 1.00 0.00 H new ATOM 0 HA LEU B 27 15.530 3.184 0.056 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.950 1.691 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.415 0.731 -0.087 1.00 0.00 H new ATOM 0 HG LEU B 27 14.986 1.504 2.065 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.771 3.260 3.281 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.539 3.879 1.800 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.786 3.574 1.833 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.955 0.970 3.398 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.960 1.173 1.936 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.156 -0.143 2.024 1.00 0.00 H new ATOM 996 N LYS B 28 14.587 2.125 -2.908 1.00 0.00 N ATOM 997 CA LYS B 28 15.083 1.634 -4.191 1.00 0.00 C ATOM 998 C LYS B 28 16.222 2.501 -4.712 1.00 0.00 C ATOM 999 O LYS B 28 17.084 2.026 -5.441 1.00 0.00 O ATOM 1000 CB LYS B 28 13.962 1.588 -5.234 1.00 0.00 C ATOM 1001 CG LYS B 28 13.184 0.284 -5.248 1.00 0.00 C ATOM 1002 CD LYS B 28 14.065 -0.879 -5.679 1.00 0.00 C ATOM 1003 CE LYS B 28 13.290 -2.184 -5.724 1.00 0.00 C ATOM 1004 NZ LYS B 28 14.119 -3.303 -6.247 1.00 0.00 N ATOM 0 H LYS B 28 13.604 2.398 -2.914 1.00 0.00 H new ATOM 0 HA LYS B 28 15.457 0.624 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.271 2.409 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.392 1.753 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.780 0.088 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.335 0.371 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.486 -0.672 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.902 -0.977 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS B 28 12.936 -2.431 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.408 -2.061 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.554 -4.176 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 14.436 -3.079 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 14.948 -3.437 -5.633 1.00 0.00 H new ATOM 1018 N LYS B 29 16.214 3.773 -4.348 1.00 0.00 N ATOM 1019 CA LYS B 29 17.274 4.686 -4.751 1.00 0.00 C ATOM 1020 C LYS B 29 18.566 4.383 -3.990 1.00 0.00 C ATOM 1021 O LYS B 29 19.658 4.462 -4.549 1.00 0.00 O ATOM 1022 CB LYS B 29 16.836 6.137 -4.518 1.00 0.00 C ATOM 1023 CG LYS B 29 17.926 7.169 -4.773 1.00 0.00 C ATOM 1024 CD LYS B 29 18.453 7.101 -6.198 1.00 0.00 C ATOM 1025 CE LYS B 29 19.505 8.170 -6.447 1.00 0.00 C ATOM 1026 NZ LYS B 29 20.651 8.061 -5.506 1.00 0.00 N ATOM 0 H LYS B 29 15.486 4.198 -3.774 1.00 0.00 H new ATOM 0 HA LYS B 29 17.468 4.547 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.986 6.356 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.489 6.239 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.533 8.167 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.747 7.009 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.881 6.116 -6.384 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.629 7.228 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS B 29 19.869 8.087 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.049 9.155 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 21.464 8.587 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 20.382 8.459 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 20.910 7.061 -5.389 1.00 0.00 H new ATOM 1040 N LEU B 30 18.428 4.005 -2.727 1.00 0.00 N ATOM 1041 CA LEU B 30 19.579 3.736 -1.872 1.00 0.00 C ATOM 1042 C LEU B 30 20.175 2.368 -2.175 1.00 0.00 C ATOM 1043 O LEU B 30 21.395 2.202 -2.187 1.00 0.00 O ATOM 1044 CB LEU B 30 19.199 3.834 -0.389 1.00 0.00 C ATOM 1045 CG LEU B 30 19.133 5.257 0.181 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.975 6.043 -0.409 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.029 5.219 1.696 1.00 0.00 C ATOM 0 H LEU B 30 17.526 3.877 -2.268 1.00 0.00 H new ATOM 0 HA LEU B 30 20.332 4.495 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.228 3.359 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.921 3.261 0.192 1.00 0.00 H new ATOM 0 HG LEU B 30 20.056 5.766 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU B 30 17.961 7.046 0.018 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.095 6.111 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.037 5.537 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.983 6.237 2.083 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.127 4.680 1.985 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.902 4.713 2.108 1.00 0.00 H new ATOM 1059 N VAL B 31 19.317 1.389 -2.416 1.00 0.00 N ATOM 1060 CA VAL B 31 19.775 0.071 -2.832 1.00 0.00 C ATOM 1061 C VAL B 31 20.198 0.126 -4.297 1.00 0.00 C ATOM 1062 O VAL B 31 21.034 -0.654 -4.757 1.00 0.00 O ATOM 1063 CB VAL B 31 18.673 -1.000 -2.649 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.188 -2.382 -3.023 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.148 -0.995 -1.222 1.00 0.00 C ATOM 0 H VAL B 31 18.305 1.480 -2.332 1.00 0.00 H new ATOM 0 HA VAL B 31 20.621 -0.210 -2.204 1.00 0.00 H new ATOM 0 HB VAL B 31 17.850 -0.752 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.394 -3.116 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.505 -2.382 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.034 -2.640 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.374 -1.756 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.965 -1.210 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.728 -0.016 -0.992 1.00 0.00 H new ATOM 1075 N GLY B 32 19.621 1.082 -5.007 1.00 0.00 N ATOM 1076 CA GLY B 32 19.895 1.255 -6.413 1.00 0.00 C ATOM 1077 C GLY B 32 21.253 1.869 -6.677 1.00 0.00 C ATOM 1078 O GLY B 32 22.111 1.243 -7.300 1.00 0.00 O ATOM 0 H GLY B 32 18.955 1.752 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.836 0.287 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.124 1.887 -6.853 1.00 0.00 H new ATOM 1082 N GLU B 33 21.447 3.092 -6.206 1.00 0.00 N ATOM 1083 CA GLU B 33 22.681 3.819 -6.453 1.00 0.00 C ATOM 1084 C GLU B 33 22.903 4.891 -5.389 1.00 0.00 C ATOM 1085 O GLU B 33 23.754 4.681 -4.500 1.00 0.00 O ATOM 1086 CB GLU B 33 22.663 4.436 -7.856 1.00 0.00 C ATOM 1087 CG GLU B 33 21.380 5.183 -8.192 1.00 0.00 C ATOM 1088 CD GLU B 33 21.398 5.767 -9.587 1.00 0.00 C ATOM 1089 OE1 GLU B 33 20.952 5.077 -10.527 1.00 0.00 O ATOM 1090 OE2 GLU B 33 21.857 6.916 -9.738 1.00 0.00 O ATOM 1091 OXT GLU B 33 22.221 5.935 -5.430 1.00 0.00 O ATOM 0 H GLU B 33 20.762 3.602 -5.649 1.00 0.00 H new ATOM 0 HA GLU B 33 23.512 3.116 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU B 33 23.505 5.122 -7.950 1.00 0.00 H new ATOM 0 HB3 GLU B 33 22.813 3.645 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU B 33 20.533 4.504 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.230 5.984 -7.468 1.00 0.00 H new TER 1098 GLU B 33