USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 529 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 23 ASN :FLIP amide:sc= -1.78 F(o=-6.6,f=-5.1) USER MOD Set 1.2: A 47 HIS :FLIP no HE2:sc= -3.34 F(o=-6.1!,f=-5.1) USER MOD Set 2.1: A 33 THR OG1 : rot -136:sc= -0.756 USER MOD Set 2.2: A 38 SER OG : rot 90:sc= 0.578 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 61 TYR OH : rot -30:sc= -0.0273 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= 0.139 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.153) USER MOD Single : A 35 SER OG : rot 127:sc= 0.74 USER MOD Single : A 39 THR OG1 : rot 58:sc= 0.326 USER MOD Single : A 44 MET CE :methyl 167:sc= -11.1! (180deg=-11.7!) USER MOD Single : A 48 THR OG1 : rot -56:sc= 0.346 USER MOD Single : A 52 TYR OH : rot -108:sc= 0.693 USER MOD Single : A 53 ASN : amide:sc= -0.629 K(o=-0.63,f=-3.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.869 F(o=-2.5,f=-0.87) USER MOD Single : A 57 HIS : no HE2:sc= -2.9! X(o=-2.9!,f=-2.5) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 169:sc= -0.0228 (180deg=-0.233) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.36! C(o=-6.6!,f=-4.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.414 4.596 -9.350 1.00 0.00 N ATOM 25 CA PHE A 10 10.698 4.189 -8.708 1.00 0.00 C ATOM 26 C PHE A 10 10.410 3.307 -7.487 1.00 0.00 C ATOM 27 O PHE A 10 9.491 3.559 -6.731 1.00 0.00 O ATOM 28 CB PHE A 10 11.384 5.521 -8.331 1.00 0.00 C ATOM 29 CG PHE A 10 11.597 5.642 -6.832 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.591 6.190 -6.024 1.00 0.00 C ATOM 31 CD2 PHE A 10 12.803 5.218 -6.253 1.00 0.00 C ATOM 32 CE1 PHE A 10 10.789 6.315 -4.643 1.00 0.00 C ATOM 33 CE2 PHE A 10 12.999 5.342 -4.874 1.00 0.00 C ATOM 34 CZ PHE A 10 11.994 5.891 -4.068 1.00 0.00 C ATOM 0 HA PHE A 10 11.341 3.594 -9.357 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.344 5.592 -8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.775 6.355 -8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.662 6.516 -6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.580 4.796 -6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.013 6.738 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.927 5.014 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.148 5.987 -3.003 1.00 0.00 H new ATOM 44 N VAL A 11 11.196 2.281 -7.286 1.00 0.00 N ATOM 45 CA VAL A 11 10.976 1.393 -6.110 1.00 0.00 C ATOM 46 C VAL A 11 11.826 1.904 -4.953 1.00 0.00 C ATOM 47 O VAL A 11 13.041 1.822 -4.975 1.00 0.00 O ATOM 48 CB VAL A 11 11.394 -0.022 -6.549 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.887 -0.068 -6.903 1.00 0.00 C ATOM 50 CG2 VAL A 11 11.113 -1.006 -5.409 1.00 0.00 C ATOM 0 H VAL A 11 11.979 2.021 -7.886 1.00 0.00 H new ATOM 0 HA VAL A 11 9.939 1.380 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 11 10.820 -0.296 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.157 -1.078 -7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.089 0.625 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.477 0.216 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.407 -2.010 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.683 -0.713 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.049 -0.996 -5.173 1.00 0.00 H new ATOM 60 N ASP A 12 11.195 2.473 -3.963 1.00 0.00 N ATOM 61 CA ASP A 12 11.954 3.034 -2.817 1.00 0.00 C ATOM 62 C ASP A 12 12.992 2.045 -2.287 1.00 0.00 C ATOM 63 O ASP A 12 12.662 0.996 -1.768 1.00 0.00 O ATOM 64 CB ASP A 12 10.909 3.335 -1.747 1.00 0.00 C ATOM 65 CG ASP A 12 11.592 4.009 -0.559 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.029 5.138 -0.709 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.667 3.383 0.479 1.00 0.00 O ATOM 0 H ASP A 12 10.182 2.572 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 12 12.510 3.923 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.132 3.983 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.421 2.414 -1.428 1.00 0.00 H new ATOM 72 N ASP A 13 14.249 2.397 -2.398 1.00 0.00 N ATOM 73 CA ASP A 13 15.332 1.520 -1.891 1.00 0.00 C ATOM 74 C ASP A 13 15.308 1.524 -0.361 1.00 0.00 C ATOM 75 O ASP A 13 15.747 0.588 0.281 1.00 0.00 O ATOM 76 CB ASP A 13 16.624 2.149 -2.416 1.00 0.00 C ATOM 77 CG ASP A 13 17.749 1.111 -2.387 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.898 0.399 -3.366 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.442 1.045 -1.384 1.00 0.00 O ATOM 0 H ASP A 13 14.568 3.267 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 13 15.230 0.484 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.477 2.512 -3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.895 3.011 -1.806 1.00 0.00 H new ATOM 84 N HIS A 14 14.783 2.579 0.221 1.00 0.00 N ATOM 85 CA HIS A 14 14.703 2.670 1.705 1.00 0.00 C ATOM 86 C HIS A 14 13.787 1.567 2.253 1.00 0.00 C ATOM 87 O HIS A 14 13.957 1.106 3.367 1.00 0.00 O ATOM 88 CB HIS A 14 14.113 4.058 1.980 1.00 0.00 C ATOM 89 CG HIS A 14 14.781 4.665 3.183 1.00 0.00 C ATOM 90 ND1 HIS A 14 14.241 4.564 4.456 1.00 0.00 N ATOM 91 CD2 HIS A 14 15.943 5.382 3.325 1.00 0.00 C ATOM 92 CE1 HIS A 14 15.071 5.203 5.301 1.00 0.00 C ATOM 93 NE2 HIS A 14 16.125 5.720 4.663 1.00 0.00 N ATOM 0 H HIS A 14 14.405 3.384 -0.278 1.00 0.00 H new ATOM 0 HA HIS A 14 15.672 2.539 2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.253 4.701 1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.039 3.980 2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.614 5.644 2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.905 5.288 6.365 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.897 6.249 5.069 1.00 0.00 H new ATOM 101 N LEU A 15 12.834 1.126 1.467 1.00 0.00 N ATOM 102 CA LEU A 15 11.924 0.038 1.917 1.00 0.00 C ATOM 103 C LEU A 15 12.664 -1.293 1.770 1.00 0.00 C ATOM 104 O LEU A 15 12.538 -2.182 2.589 1.00 0.00 O ATOM 105 CB LEU A 15 10.688 0.146 0.998 1.00 0.00 C ATOM 106 CG LEU A 15 10.644 -0.982 -0.046 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.144 -2.276 0.605 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.687 -0.583 -1.174 1.00 0.00 C ATOM 0 H LEU A 15 12.650 1.479 0.528 1.00 0.00 H new ATOM 0 HA LEU A 15 11.615 0.110 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.782 0.114 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.698 1.110 0.489 1.00 0.00 H new ATOM 0 HG LEU A 15 11.645 -1.144 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.115 -3.071 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.818 -2.561 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.143 -2.118 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.650 -1.378 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.689 -0.423 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.039 0.336 -1.642 1.00 0.00 H new ATOM 120 N LEU A 16 13.454 -1.415 0.735 1.00 0.00 N ATOM 121 CA LEU A 16 14.235 -2.667 0.525 1.00 0.00 C ATOM 122 C LEU A 16 15.213 -2.871 1.682 1.00 0.00 C ATOM 123 O LEU A 16 15.351 -3.960 2.203 1.00 0.00 O ATOM 124 CB LEU A 16 14.999 -2.469 -0.778 1.00 0.00 C ATOM 125 CG LEU A 16 14.138 -2.988 -1.917 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.174 -1.890 -2.339 1.00 0.00 C ATOM 127 CD2 LEU A 16 15.023 -3.398 -3.095 1.00 0.00 C ATOM 0 H LEU A 16 13.591 -0.697 0.024 1.00 0.00 H new ATOM 0 HA LEU A 16 13.588 -3.543 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.230 -1.414 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.949 -3.002 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 16 13.576 -3.862 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.549 -2.249 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.543 -1.615 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.738 -1.018 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.398 -3.769 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.592 -2.535 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.710 -4.183 -2.778 1.00 0.00 H new ATOM 139 N GLU A 17 15.885 -1.821 2.092 1.00 0.00 N ATOM 140 CA GLU A 17 16.854 -1.941 3.229 1.00 0.00 C ATOM 141 C GLU A 17 16.153 -2.504 4.482 1.00 0.00 C ATOM 142 O GLU A 17 16.794 -3.035 5.368 1.00 0.00 O ATOM 143 CB GLU A 17 17.377 -0.511 3.464 1.00 0.00 C ATOM 144 CG GLU A 17 16.768 0.084 4.740 1.00 0.00 C ATOM 145 CD GLU A 17 17.248 1.526 4.916 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.287 1.715 5.526 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.566 2.417 4.438 1.00 0.00 O ATOM 0 H GLU A 17 15.805 -0.887 1.689 1.00 0.00 H new ATOM 0 HA GLU A 17 17.669 -2.630 3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.464 -0.524 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.129 0.118 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.680 0.057 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.056 -0.514 5.605 1.00 0.00 H new ATOM 154 N LYS A 18 14.845 -2.391 4.556 1.00 0.00 N ATOM 155 CA LYS A 18 14.109 -2.917 5.745 1.00 0.00 C ATOM 156 C LYS A 18 13.347 -4.209 5.400 1.00 0.00 C ATOM 157 O LYS A 18 13.053 -5.002 6.272 1.00 0.00 O ATOM 158 CB LYS A 18 13.128 -1.805 6.124 1.00 0.00 C ATOM 159 CG LYS A 18 13.825 -0.792 7.037 1.00 0.00 C ATOM 160 CD LYS A 18 13.809 -1.303 8.481 1.00 0.00 C ATOM 161 CE LYS A 18 15.245 -1.548 8.955 1.00 0.00 C ATOM 162 NZ LYS A 18 15.110 -2.147 10.313 1.00 0.00 N ATOM 0 H LYS A 18 14.259 -1.957 3.843 1.00 0.00 H new ATOM 0 HA LYS A 18 14.788 -3.169 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.762 -1.308 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.261 -2.229 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.852 -0.637 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.322 0.173 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.320 -0.576 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.232 -2.225 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.774 -2.220 8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.813 -0.618 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.871 -1.792 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.188 -1.885 10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.176 -3.183 10.244 1.00 0.00 H new ATOM 176 N VAL A 19 13.018 -4.429 4.146 1.00 0.00 N ATOM 177 CA VAL A 19 12.270 -5.672 3.778 1.00 0.00 C ATOM 178 C VAL A 19 13.232 -6.838 3.528 1.00 0.00 C ATOM 179 O VAL A 19 12.987 -7.949 3.958 1.00 0.00 O ATOM 180 CB VAL A 19 11.487 -5.323 2.510 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.363 -5.511 1.270 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.271 -6.242 2.423 1.00 0.00 C ATOM 0 H VAL A 19 13.234 -3.805 3.369 1.00 0.00 H new ATOM 0 HA VAL A 19 11.606 -5.992 4.581 1.00 0.00 H new ATOM 0 HB VAL A 19 11.172 -4.280 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.790 -5.258 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.234 -4.860 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.690 -6.549 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.701 -6.007 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.602 -7.280 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.641 -6.096 3.301 1.00 0.00 H new ATOM 192 N LEU A 20 14.338 -6.588 2.870 1.00 0.00 N ATOM 193 CA LEU A 20 15.332 -7.683 2.636 1.00 0.00 C ATOM 194 C LEU A 20 15.860 -8.075 4.000 1.00 0.00 C ATOM 195 O LEU A 20 16.069 -9.233 4.307 1.00 0.00 O ATOM 196 CB LEU A 20 16.465 -7.092 1.784 1.00 0.00 C ATOM 197 CG LEU A 20 15.892 -6.309 0.605 1.00 0.00 C ATOM 198 CD1 LEU A 20 16.987 -5.428 0.004 1.00 0.00 C ATOM 199 CD2 LEU A 20 15.373 -7.281 -0.457 1.00 0.00 C ATOM 0 H LEU A 20 14.595 -5.678 2.487 1.00 0.00 H new ATOM 0 HA LEU A 20 14.905 -8.548 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.085 -6.438 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.109 -7.892 1.419 1.00 0.00 H new ATOM 0 HG LEU A 20 15.069 -5.684 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.582 -4.867 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.351 -4.733 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.810 -6.054 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.965 -6.718 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.192 -7.910 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.592 -7.908 -0.026 1.00 0.00 H new ATOM 211 N GLU A 21 16.035 -7.080 4.827 1.00 0.00 N ATOM 212 CA GLU A 21 16.507 -7.316 6.212 1.00 0.00 C ATOM 213 C GLU A 21 15.476 -8.166 6.968 1.00 0.00 C ATOM 214 O GLU A 21 15.830 -8.986 7.794 1.00 0.00 O ATOM 215 CB GLU A 21 16.607 -5.924 6.833 1.00 0.00 C ATOM 216 CG GLU A 21 17.391 -5.995 8.145 1.00 0.00 C ATOM 217 CD GLU A 21 16.834 -4.962 9.128 1.00 0.00 C ATOM 218 OE1 GLU A 21 15.787 -5.220 9.699 1.00 0.00 O ATOM 219 OE2 GLU A 21 17.466 -3.931 9.293 1.00 0.00 O ATOM 0 H GLU A 21 15.867 -6.101 4.594 1.00 0.00 H new ATOM 0 HA GLU A 21 17.458 -7.848 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.100 -5.242 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.609 -5.525 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.317 -6.995 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.448 -5.804 7.960 1.00 0.00 H new ATOM 226 N LEU A 22 14.201 -7.994 6.676 1.00 0.00 N ATOM 227 CA LEU A 22 13.162 -8.816 7.371 1.00 0.00 C ATOM 228 C LEU A 22 13.122 -10.216 6.753 1.00 0.00 C ATOM 229 O LEU A 22 12.765 -11.180 7.404 1.00 0.00 O ATOM 230 CB LEU A 22 11.836 -8.079 7.146 1.00 0.00 C ATOM 231 CG LEU A 22 11.466 -7.261 8.394 1.00 0.00 C ATOM 232 CD1 LEU A 22 11.019 -8.205 9.512 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.674 -6.447 8.874 1.00 0.00 C ATOM 0 H LEU A 22 13.843 -7.326 5.993 1.00 0.00 H new ATOM 0 HA LEU A 22 13.368 -8.937 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.920 -7.420 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.046 -8.796 6.925 1.00 0.00 H new ATOM 0 HG LEU A 22 10.655 -6.579 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.757 -7.624 10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.150 -8.775 9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.831 -8.890 9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.398 -5.873 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.493 -7.123 9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.991 -5.766 8.084 1.00 0.00 H new ATOM 245 N ASN A 23 13.518 -10.336 5.509 1.00 0.00 N ATOM 246 CA ASN A 23 13.541 -11.677 4.849 1.00 0.00 C ATOM 247 C ASN A 23 14.821 -12.427 5.246 1.00 0.00 C ATOM 248 O ASN A 23 14.944 -13.617 5.022 1.00 0.00 O ATOM 249 CB ASN A 23 13.529 -11.389 3.346 1.00 0.00 C ATOM 250 CG ASN A 23 12.089 -11.179 2.873 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.703 -9.989 2.501 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 11.306 -12.108 2.841 1.00 0.00 N flip ATOM 0 H ASN A 23 13.827 -9.561 4.922 1.00 0.00 H new ATOM 0 HA ASN A 23 12.696 -12.300 5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.126 -10.502 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.983 -12.218 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.606 -13.038 3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.348 -11.957 2.524 1.00 0.00 H new ATOM 259 N ALA A 24 15.769 -11.740 5.846 1.00 0.00 N ATOM 260 CA ALA A 24 17.028 -12.395 6.274 1.00 0.00 C ATOM 261 C ALA A 24 16.805 -13.093 7.613 1.00 0.00 C ATOM 262 O ALA A 24 17.315 -14.170 7.857 1.00 0.00 O ATOM 263 CB ALA A 24 18.037 -11.259 6.424 1.00 0.00 C ATOM 0 H ALA A 24 15.713 -10.743 6.055 1.00 0.00 H new ATOM 0 HA ALA A 24 17.373 -13.147 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.998 -11.665 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.155 -10.749 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.679 -10.551 7.171 1.00 0.00 H new ATOM 269 N LYS A 25 16.023 -12.488 8.477 1.00 0.00 N ATOM 270 CA LYS A 25 15.736 -13.115 9.798 1.00 0.00 C ATOM 271 C LYS A 25 14.553 -14.074 9.655 1.00 0.00 C ATOM 272 O LYS A 25 14.365 -14.970 10.454 1.00 0.00 O ATOM 273 CB LYS A 25 15.353 -11.962 10.734 1.00 0.00 C ATOM 274 CG LYS A 25 16.417 -10.864 10.691 1.00 0.00 C ATOM 275 CD LYS A 25 15.797 -9.547 11.163 1.00 0.00 C ATOM 276 CE LYS A 25 16.604 -8.371 10.604 1.00 0.00 C ATOM 277 NZ LYS A 25 16.836 -7.466 11.765 1.00 0.00 N ATOM 0 H LYS A 25 15.573 -11.586 8.320 1.00 0.00 H new ATOM 0 HA LYS A 25 16.590 -13.676 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.387 -11.552 10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.245 -12.333 11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.260 -11.132 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.805 -10.755 9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.761 -9.481 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.785 -9.508 12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.547 -8.710 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.058 -7.861 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.384 -6.638 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.922 -7.153 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.365 -7.975 12.502 1.00 0.00 H new ATOM 291 N GLY A 26 13.743 -13.863 8.646 1.00 0.00 N ATOM 292 CA GLY A 26 12.547 -14.727 8.440 1.00 0.00 C ATOM 293 C GLY A 26 11.340 -14.086 9.137 1.00 0.00 C ATOM 294 O GLY A 26 10.332 -14.729 9.355 1.00 0.00 O ATOM 0 H GLY A 26 13.863 -13.123 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.347 -14.845 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.729 -15.723 8.843 1.00 0.00 H new ATOM 298 N GLU A 27 11.440 -12.822 9.490 1.00 0.00 N ATOM 299 CA GLU A 27 10.300 -12.140 10.177 1.00 0.00 C ATOM 300 C GLU A 27 9.442 -11.381 9.161 1.00 0.00 C ATOM 301 O GLU A 27 9.940 -10.835 8.195 1.00 0.00 O ATOM 302 CB GLU A 27 10.952 -11.162 11.159 1.00 0.00 C ATOM 303 CG GLU A 27 11.527 -11.932 12.352 1.00 0.00 C ATOM 304 CD GLU A 27 12.197 -10.952 13.318 1.00 0.00 C ATOM 305 OE1 GLU A 27 13.323 -10.564 13.053 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.571 -10.606 14.308 1.00 0.00 O ATOM 0 H GLU A 27 12.261 -12.238 9.331 1.00 0.00 H new ATOM 0 HA GLU A 27 9.644 -12.849 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.743 -10.604 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.217 -10.434 11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.733 -12.477 12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.250 -12.671 12.007 1.00 0.00 H new ATOM 313 N LYS A 28 8.151 -11.340 9.381 1.00 0.00 N ATOM 314 CA LYS A 28 7.245 -10.613 8.444 1.00 0.00 C ATOM 315 C LYS A 28 6.702 -9.353 9.129 1.00 0.00 C ATOM 316 O LYS A 28 5.669 -9.382 9.775 1.00 0.00 O ATOM 317 CB LYS A 28 6.117 -11.602 8.140 1.00 0.00 C ATOM 318 CG LYS A 28 6.561 -12.563 7.032 1.00 0.00 C ATOM 319 CD LYS A 28 5.498 -13.649 6.838 1.00 0.00 C ATOM 320 CE LYS A 28 5.240 -13.852 5.342 1.00 0.00 C ATOM 321 NZ LYS A 28 4.036 -14.729 5.269 1.00 0.00 N ATOM 0 H LYS A 28 7.685 -11.782 10.174 1.00 0.00 H new ATOM 0 HA LYS A 28 7.748 -10.289 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.858 -12.162 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.221 -11.064 7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.711 -12.016 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.517 -13.018 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.831 -14.583 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.575 -13.363 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.065 -12.901 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.096 -14.317 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.799 -14.911 4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.234 -15.630 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.234 -14.258 5.735 1.00 0.00 H new ATOM 335 N ARG A 29 7.401 -8.252 9.005 1.00 0.00 N ATOM 336 CA ARG A 29 6.942 -6.988 9.658 1.00 0.00 C ATOM 337 C ARG A 29 6.512 -5.966 8.599 1.00 0.00 C ATOM 338 O ARG A 29 6.141 -6.321 7.496 1.00 0.00 O ATOM 339 CB ARG A 29 8.163 -6.488 10.437 1.00 0.00 C ATOM 340 CG ARG A 29 7.730 -5.994 11.821 1.00 0.00 C ATOM 341 CD ARG A 29 8.955 -5.892 12.737 1.00 0.00 C ATOM 342 NE ARG A 29 9.334 -7.301 13.050 1.00 0.00 N ATOM 343 CZ ARG A 29 10.400 -7.547 13.764 1.00 0.00 C ATOM 344 NH1 ARG A 29 10.290 -7.753 15.052 1.00 0.00 N ATOM 345 NH2 ARG A 29 11.575 -7.590 13.192 1.00 0.00 N ATOM 0 H ARG A 29 8.271 -8.174 8.479 1.00 0.00 H new ATOM 0 HA ARG A 29 6.080 -7.142 10.306 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.894 -7.290 10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.650 -5.681 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.245 -5.022 11.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.998 -6.679 12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.772 -5.366 12.243 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.721 -5.337 13.645 1.00 0.00 H new ATOM 0 HE ARG A 29 8.761 -8.072 12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.373 -7.721 15.497 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.122 -7.945 15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.660 -7.431 12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.407 -7.782 13.750 1.00 0.00 H new ATOM 359 N LEU A 30 6.555 -4.699 8.930 1.00 0.00 N ATOM 360 CA LEU A 30 6.148 -3.648 7.954 1.00 0.00 C ATOM 361 C LEU A 30 7.329 -2.703 7.662 1.00 0.00 C ATOM 362 O LEU A 30 8.226 -2.548 8.470 1.00 0.00 O ATOM 363 CB LEU A 30 4.968 -2.924 8.635 1.00 0.00 C ATOM 364 CG LEU A 30 5.429 -1.642 9.341 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.868 -0.425 8.602 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.912 -1.645 10.783 1.00 0.00 C ATOM 0 H LEU A 30 6.856 -4.349 9.839 1.00 0.00 H new ATOM 0 HA LEU A 30 5.854 -4.052 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.211 -2.679 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.499 -3.591 9.358 1.00 0.00 H new ATOM 0 HG LEU A 30 6.518 -1.596 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.194 0.487 9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.230 -0.425 7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.779 -0.469 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.238 -0.736 11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.823 -1.688 10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.307 -2.514 11.309 1.00 0.00 H new ATOM 378 N ILE A 31 7.334 -2.085 6.507 1.00 0.00 N ATOM 379 CA ILE A 31 8.453 -1.155 6.144 1.00 0.00 C ATOM 380 C ILE A 31 7.890 0.185 5.657 1.00 0.00 C ATOM 381 O ILE A 31 7.138 0.238 4.705 1.00 0.00 O ATOM 382 CB ILE A 31 9.209 -1.867 5.017 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.814 -3.167 5.557 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.326 -0.960 4.495 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.175 -4.362 4.847 1.00 0.00 C ATOM 0 H ILE A 31 6.609 -2.184 5.796 1.00 0.00 H new ATOM 0 HA ILE A 31 9.101 -0.935 6.992 1.00 0.00 H new ATOM 0 HB ILE A 31 8.521 -2.095 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.893 -3.171 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.649 -3.238 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.863 -1.468 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.895 -0.035 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.017 -0.731 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.606 -5.287 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.100 -4.360 5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.363 -4.292 3.776 1.00 0.00 H new ATOM 397 N LYS A 32 8.245 1.266 6.305 1.00 0.00 N ATOM 398 CA LYS A 32 7.720 2.605 5.884 1.00 0.00 C ATOM 399 C LYS A 32 8.751 3.366 5.043 1.00 0.00 C ATOM 400 O LYS A 32 9.945 3.167 5.173 1.00 0.00 O ATOM 401 CB LYS A 32 7.448 3.359 7.189 1.00 0.00 C ATOM 402 CG LYS A 32 6.347 2.648 7.984 1.00 0.00 C ATOM 403 CD LYS A 32 6.945 2.041 9.256 1.00 0.00 C ATOM 404 CE LYS A 32 6.064 2.395 10.459 1.00 0.00 C ATOM 405 NZ LYS A 32 6.687 1.691 11.617 1.00 0.00 N ATOM 0 H LYS A 32 8.875 1.281 7.107 1.00 0.00 H new ATOM 0 HA LYS A 32 6.827 2.504 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.360 3.414 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.147 4.384 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.557 3.353 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.891 1.867 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.020 0.958 9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.956 2.418 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.034 3.472 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.036 2.067 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.044 1.730 12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.866 0.698 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.586 2.153 11.862 1.00 0.00 H new ATOM 419 N THR A 33 8.288 4.249 4.189 1.00 0.00 N ATOM 420 CA THR A 33 9.224 5.052 3.338 1.00 0.00 C ATOM 421 C THR A 33 8.715 6.495 3.212 1.00 0.00 C ATOM 422 O THR A 33 7.588 6.796 3.561 1.00 0.00 O ATOM 423 CB THR A 33 9.259 4.364 1.965 1.00 0.00 C ATOM 424 OG1 THR A 33 9.746 5.282 0.993 1.00 0.00 O ATOM 425 CG2 THR A 33 7.861 3.896 1.558 1.00 0.00 C ATOM 0 H THR A 33 7.298 4.449 4.045 1.00 0.00 H new ATOM 0 HA THR A 33 10.222 5.099 3.774 1.00 0.00 H new ATOM 0 HB THR A 33 9.915 3.496 2.026 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.197 5.223 0.183 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.909 3.412 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.485 3.188 2.297 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.191 4.754 1.504 1.00 0.00 H new ATOM 433 N TRP A 34 9.548 7.388 2.727 1.00 0.00 N ATOM 434 CA TRP A 34 9.128 8.820 2.583 1.00 0.00 C ATOM 435 C TRP A 34 9.761 9.443 1.330 1.00 0.00 C ATOM 436 O TRP A 34 10.239 10.563 1.359 1.00 0.00 O ATOM 437 CB TRP A 34 9.651 9.519 3.845 1.00 0.00 C ATOM 438 CG TRP A 34 9.168 8.800 5.064 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.031 9.083 5.728 1.00 0.00 C ATOM 440 CD2 TRP A 34 9.783 7.680 5.758 1.00 0.00 C ATOM 441 NE1 TRP A 34 7.910 8.215 6.799 1.00 0.00 N ATOM 442 CE2 TRP A 34 8.969 7.329 6.859 1.00 0.00 C ATOM 443 CE3 TRP A 34 10.959 6.947 5.540 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.313 6.284 7.717 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.310 5.893 6.400 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.487 5.563 7.487 1.00 0.00 C ATOM 0 H TRP A 34 10.501 7.186 2.425 1.00 0.00 H new ATOM 0 HA TRP A 34 8.048 8.918 2.476 1.00 0.00 H new ATOM 0 HB2 TRP A 34 10.741 9.541 3.833 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.311 10.555 3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.328 9.861 5.467 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.135 8.228 7.462 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.599 7.194 4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.676 6.034 8.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.217 5.334 6.223 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.761 4.752 8.146 1.00 0.00 H new ATOM 457 N SER A 35 9.769 8.729 0.231 1.00 0.00 N ATOM 458 CA SER A 35 10.375 9.284 -1.018 1.00 0.00 C ATOM 459 C SER A 35 9.320 10.035 -1.843 1.00 0.00 C ATOM 460 O SER A 35 9.210 11.243 -1.757 1.00 0.00 O ATOM 461 CB SER A 35 10.916 8.072 -1.780 1.00 0.00 C ATOM 462 OG SER A 35 12.287 7.889 -1.455 1.00 0.00 O ATOM 0 H SER A 35 9.383 7.789 0.145 1.00 0.00 H new ATOM 0 HA SER A 35 11.165 10.004 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.346 7.180 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.801 8.222 -2.854 1.00 0.00 H new ATOM 0 HG SER A 35 12.432 6.967 -1.157 1.00 0.00 H new ATOM 468 N ARG A 36 8.546 9.331 -2.640 1.00 0.00 N ATOM 469 CA ARG A 36 7.495 10.005 -3.476 1.00 0.00 C ATOM 470 C ARG A 36 6.735 8.965 -4.309 1.00 0.00 C ATOM 471 O ARG A 36 5.548 8.766 -4.132 1.00 0.00 O ATOM 472 CB ARG A 36 8.255 10.969 -4.397 1.00 0.00 C ATOM 473 CG ARG A 36 7.703 12.388 -4.224 1.00 0.00 C ATOM 474 CD ARG A 36 8.836 13.404 -4.393 1.00 0.00 C ATOM 475 NE ARG A 36 8.956 13.611 -5.865 1.00 0.00 N ATOM 476 CZ ARG A 36 10.067 13.301 -6.481 1.00 0.00 C ATOM 477 NH1 ARG A 36 10.989 14.211 -6.659 1.00 0.00 N ATOM 478 NH2 ARG A 36 10.252 12.085 -6.922 1.00 0.00 N ATOM 0 H ARG A 36 8.597 8.318 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 36 6.762 10.527 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.319 10.951 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.153 10.652 -5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.920 12.576 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.249 12.495 -3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.607 14.339 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.768 13.029 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 36 8.171 13.995 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.841 15.161 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.856 13.971 -7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.530 11.378 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.119 11.843 -7.403 1.00 0.00 H new ATOM 492 N ARG A 37 7.415 8.295 -5.209 1.00 0.00 N ATOM 493 CA ARG A 37 6.743 7.256 -6.051 1.00 0.00 C ATOM 494 C ARG A 37 7.080 5.859 -5.512 1.00 0.00 C ATOM 495 O ARG A 37 7.247 4.919 -6.266 1.00 0.00 O ATOM 496 CB ARG A 37 7.315 7.445 -7.459 1.00 0.00 C ATOM 497 CG ARG A 37 6.803 8.761 -8.052 1.00 0.00 C ATOM 498 CD ARG A 37 7.982 9.559 -8.615 1.00 0.00 C ATOM 499 NE ARG A 37 7.362 10.717 -9.318 1.00 0.00 N ATOM 500 CZ ARG A 37 7.365 11.900 -8.762 1.00 0.00 C ATOM 501 NH1 ARG A 37 8.225 12.804 -9.154 1.00 0.00 N ATOM 502 NH2 ARG A 37 6.509 12.177 -7.813 1.00 0.00 N ATOM 0 H ARG A 37 8.409 8.424 -5.397 1.00 0.00 H new ATOM 0 HA ARG A 37 5.657 7.352 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.404 7.451 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.023 6.610 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.077 8.559 -8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.289 9.342 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.650 9.891 -7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.577 8.954 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 37 6.934 10.586 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.893 12.586 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.228 13.727 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.840 11.470 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.510 13.100 -7.378 1.00 0.00 H new ATOM 516 N SER A 38 7.185 5.735 -4.208 1.00 0.00 N ATOM 517 CA SER A 38 7.521 4.425 -3.567 1.00 0.00 C ATOM 518 C SER A 38 6.762 3.263 -4.225 1.00 0.00 C ATOM 519 O SER A 38 5.553 3.159 -4.129 1.00 0.00 O ATOM 520 CB SER A 38 7.092 4.596 -2.108 1.00 0.00 C ATOM 521 OG SER A 38 8.176 5.138 -1.364 1.00 0.00 O ATOM 0 H SER A 38 7.049 6.503 -3.550 1.00 0.00 H new ATOM 0 HA SER A 38 8.578 4.181 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.226 5.255 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.792 3.635 -1.689 1.00 0.00 H new ATOM 0 HG SER A 38 8.128 6.117 -1.382 1.00 0.00 H new ATOM 527 N THR A 39 7.480 2.388 -4.883 1.00 0.00 N ATOM 528 CA THR A 39 6.840 1.214 -5.549 1.00 0.00 C ATOM 529 C THR A 39 7.157 -0.058 -4.760 1.00 0.00 C ATOM 530 O THR A 39 8.100 -0.105 -3.990 1.00 0.00 O ATOM 531 CB THR A 39 7.450 1.146 -6.957 1.00 0.00 C ATOM 532 OG1 THR A 39 7.007 2.262 -7.718 1.00 0.00 O ATOM 533 CG2 THR A 39 7.015 -0.151 -7.655 1.00 0.00 C ATOM 0 H THR A 39 8.493 2.438 -4.988 1.00 0.00 H new ATOM 0 HA THR A 39 5.755 1.308 -5.596 1.00 0.00 H new ATOM 0 HB THR A 39 8.537 1.163 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.257 3.091 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.452 -0.191 -8.653 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.356 -1.008 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.928 -0.175 -7.734 1.00 0.00 H new ATOM 541 N ILE A 40 6.372 -1.083 -4.938 1.00 0.00 N ATOM 542 CA ILE A 40 6.614 -2.359 -4.188 1.00 0.00 C ATOM 543 C ILE A 40 7.826 -3.121 -4.762 1.00 0.00 C ATOM 544 O ILE A 40 8.274 -2.862 -5.863 1.00 0.00 O ATOM 545 CB ILE A 40 5.335 -3.188 -4.359 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.095 -2.296 -4.247 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.276 -4.251 -3.269 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.330 -2.344 -5.568 1.00 0.00 C ATOM 0 H ILE A 40 5.571 -1.098 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 40 6.837 -2.163 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 40 5.351 -3.654 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.458 -2.636 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.387 -1.271 -4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.368 -4.843 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.147 -4.902 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.271 -3.770 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.445 -1.712 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.971 -1.984 -6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.028 -3.370 -5.776 1.00 0.00 H new ATOM 560 N VAL A 41 8.345 -4.068 -4.011 1.00 0.00 N ATOM 561 CA VAL A 41 9.524 -4.879 -4.484 1.00 0.00 C ATOM 562 C VAL A 41 9.162 -6.358 -4.504 1.00 0.00 C ATOM 563 O VAL A 41 8.068 -6.720 -4.156 1.00 0.00 O ATOM 564 CB VAL A 41 10.672 -4.650 -3.477 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.802 -3.890 -4.168 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.200 -3.847 -2.255 1.00 0.00 C ATOM 0 H VAL A 41 8.002 -4.317 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 41 9.816 -4.578 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 41 11.019 -5.624 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.615 -3.726 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.168 -4.472 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.430 -2.929 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.035 -3.705 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.828 -2.875 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.402 -4.390 -1.749 1.00 0.00 H new ATOM 576 N PRO A 42 10.106 -7.167 -4.917 1.00 0.00 N ATOM 577 CA PRO A 42 9.878 -8.635 -4.984 1.00 0.00 C ATOM 578 C PRO A 42 9.816 -9.256 -3.580 1.00 0.00 C ATOM 579 O PRO A 42 9.096 -10.209 -3.349 1.00 0.00 O ATOM 580 CB PRO A 42 11.091 -9.136 -5.753 1.00 0.00 C ATOM 581 CG PRO A 42 12.156 -8.118 -5.523 1.00 0.00 C ATOM 582 CD PRO A 42 11.460 -6.801 -5.360 1.00 0.00 C ATOM 0 HA PRO A 42 8.931 -8.899 -5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.403 -10.118 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.868 -9.238 -6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.739 -8.361 -4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.851 -8.088 -6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.964 -6.171 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 42 11.437 -6.243 -6.296 1.00 0.00 H new ATOM 590 N GLU A 43 10.554 -8.713 -2.642 1.00 0.00 N ATOM 591 CA GLU A 43 10.537 -9.251 -1.246 1.00 0.00 C ATOM 592 C GLU A 43 9.355 -8.660 -0.452 1.00 0.00 C ATOM 593 O GLU A 43 9.314 -8.734 0.758 1.00 0.00 O ATOM 594 CB GLU A 43 11.868 -8.803 -0.633 1.00 0.00 C ATOM 595 CG GLU A 43 13.013 -9.627 -1.228 1.00 0.00 C ATOM 596 CD GLU A 43 13.509 -10.642 -0.195 1.00 0.00 C ATOM 597 OE1 GLU A 43 12.937 -11.719 -0.129 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.451 -10.326 0.514 1.00 0.00 O ATOM 0 H GLU A 43 11.172 -7.914 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 43 10.418 -10.334 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.031 -7.743 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.841 -8.928 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.674 -10.144 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.829 -8.970 -1.528 1.00 0.00 H new ATOM 605 N MET A 44 8.407 -8.069 -1.137 1.00 0.00 N ATOM 606 CA MET A 44 7.217 -7.448 -0.464 1.00 0.00 C ATOM 607 C MET A 44 6.124 -8.486 -0.144 1.00 0.00 C ATOM 608 O MET A 44 5.201 -8.213 0.598 1.00 0.00 O ATOM 609 CB MET A 44 6.693 -6.467 -1.518 1.00 0.00 C ATOM 610 CG MET A 44 5.674 -7.171 -2.438 1.00 0.00 C ATOM 611 SD MET A 44 6.452 -8.524 -3.366 1.00 0.00 S ATOM 612 CE MET A 44 4.956 -9.485 -3.700 1.00 0.00 C ATOM 0 H MET A 44 8.406 -7.988 -2.154 1.00 0.00 H new ATOM 0 HA MET A 44 7.482 -6.989 0.489 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.224 -5.613 -1.030 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.522 -6.080 -2.110 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.851 -7.563 -1.841 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.248 -6.448 -3.133 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.170 -10.241 -4.455 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.624 -9.972 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.171 -8.822 -4.063 1.00 0.00 H new ATOM 622 N VAL A 45 6.203 -9.641 -0.747 1.00 0.00 N ATOM 623 CA VAL A 45 5.159 -10.709 -0.569 1.00 0.00 C ATOM 624 C VAL A 45 4.955 -11.162 0.902 1.00 0.00 C ATOM 625 O VAL A 45 4.208 -12.088 1.161 1.00 0.00 O ATOM 626 CB VAL A 45 5.676 -11.869 -1.453 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.169 -12.124 -1.175 1.00 0.00 C ATOM 628 CG2 VAL A 45 4.886 -13.153 -1.173 1.00 0.00 C ATOM 0 H VAL A 45 6.965 -9.902 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 45 4.172 -10.344 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 45 5.542 -11.586 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.521 -12.942 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.740 -11.223 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.304 -12.387 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.264 -13.958 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.001 -13.429 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.831 -12.986 -1.391 1.00 0.00 H new ATOM 638 N GLY A 46 5.568 -10.531 1.866 1.00 0.00 N ATOM 639 CA GLY A 46 5.351 -10.958 3.278 1.00 0.00 C ATOM 640 C GLY A 46 5.506 -9.762 4.217 1.00 0.00 C ATOM 641 O GLY A 46 5.908 -9.921 5.355 1.00 0.00 O ATOM 0 H GLY A 46 6.205 -9.744 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.356 -11.389 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.067 -11.736 3.545 1.00 0.00 H new ATOM 645 N HIS A 47 5.212 -8.561 3.763 1.00 0.00 N ATOM 646 CA HIS A 47 5.379 -7.377 4.666 1.00 0.00 C ATOM 647 C HIS A 47 4.317 -6.311 4.396 1.00 0.00 C ATOM 648 O HIS A 47 3.780 -6.207 3.310 1.00 0.00 O ATOM 649 CB HIS A 47 6.770 -6.800 4.352 1.00 0.00 C ATOM 650 CG HIS A 47 7.796 -7.898 4.292 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.141 -8.768 3.289 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.611 -8.217 5.367 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 9.151 -9.615 3.730 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.397 -9.242 4.988 1.00 0.00 N flip ATOM 0 H HIS A 47 4.870 -8.354 2.824 1.00 0.00 H new ATOM 0 HA HIS A 47 5.275 -7.676 5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.743 -6.268 3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.050 -6.074 5.116 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.720 -8.790 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.615 -7.732 6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.633 -10.405 3.174 1.00 0.00 H new ATOM 662 N THR A 48 4.061 -5.491 5.381 1.00 0.00 N ATOM 663 CA THR A 48 3.085 -4.380 5.238 1.00 0.00 C ATOM 664 C THR A 48 3.905 -3.120 4.962 1.00 0.00 C ATOM 665 O THR A 48 4.189 -2.330 5.842 1.00 0.00 O ATOM 666 CB THR A 48 2.351 -4.284 6.594 1.00 0.00 C ATOM 667 OG1 THR A 48 2.574 -5.462 7.361 1.00 0.00 O ATOM 668 CG2 THR A 48 0.850 -4.121 6.355 1.00 0.00 C ATOM 0 H THR A 48 4.501 -5.550 6.300 1.00 0.00 H new ATOM 0 HA THR A 48 2.360 -4.520 4.437 1.00 0.00 H new ATOM 0 HB THR A 48 2.736 -3.422 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.290 -6.246 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.334 -4.054 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.670 -3.212 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.474 -4.981 5.801 1.00 0.00 H new ATOM 676 N ILE A 49 4.339 -2.967 3.743 1.00 0.00 N ATOM 677 CA ILE A 49 5.206 -1.798 3.399 1.00 0.00 C ATOM 678 C ILE A 49 4.385 -0.520 3.237 1.00 0.00 C ATOM 679 O ILE A 49 3.562 -0.410 2.346 1.00 0.00 O ATOM 680 CB ILE A 49 5.895 -2.181 2.081 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.871 -3.339 2.337 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.674 -0.979 1.534 1.00 0.00 C ATOM 683 CD1 ILE A 49 7.253 -4.001 1.011 1.00 0.00 C ATOM 0 H ILE A 49 4.133 -3.598 2.968 1.00 0.00 H new ATOM 0 HA ILE A 49 5.926 -1.589 4.190 1.00 0.00 H new ATOM 0 HB ILE A 49 5.140 -2.484 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.765 -2.969 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.413 -4.072 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.161 -1.256 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.987 -0.152 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.428 -0.674 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.945 -4.821 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.357 -4.387 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.729 -3.267 0.362 1.00 0.00 H new ATOM 695 N ALA A 50 4.624 0.462 4.081 1.00 0.00 N ATOM 696 CA ALA A 50 3.879 1.743 3.955 1.00 0.00 C ATOM 697 C ALA A 50 4.511 2.571 2.850 1.00 0.00 C ATOM 698 O ALA A 50 5.376 3.398 3.085 1.00 0.00 O ATOM 699 CB ALA A 50 3.976 2.452 5.308 1.00 0.00 C ATOM 0 H ALA A 50 5.300 0.424 4.844 1.00 0.00 H new ATOM 0 HA ALA A 50 2.832 1.586 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.441 3.400 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.533 1.824 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.023 2.638 5.547 1.00 0.00 H new ATOM 705 N VAL A 51 4.089 2.330 1.640 1.00 0.00 N ATOM 706 CA VAL A 51 4.665 3.081 0.483 1.00 0.00 C ATOM 707 C VAL A 51 4.275 4.560 0.571 1.00 0.00 C ATOM 708 O VAL A 51 3.116 4.899 0.728 1.00 0.00 O ATOM 709 CB VAL A 51 4.085 2.428 -0.785 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.383 0.925 -0.781 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.567 2.648 -0.847 1.00 0.00 C ATOM 0 H VAL A 51 3.371 1.647 1.400 1.00 0.00 H new ATOM 0 HA VAL A 51 5.754 3.039 0.475 1.00 0.00 H new ATOM 0 HB VAL A 51 4.549 2.887 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.970 0.470 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.461 0.768 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.930 0.467 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.168 2.182 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.099 2.202 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.355 3.717 -0.867 1.00 0.00 H new ATOM 721 N TYR A 52 5.236 5.441 0.472 1.00 0.00 N ATOM 722 CA TYR A 52 4.923 6.894 0.544 1.00 0.00 C ATOM 723 C TYR A 52 4.323 7.339 -0.792 1.00 0.00 C ATOM 724 O TYR A 52 5.020 7.469 -1.781 1.00 0.00 O ATOM 725 CB TYR A 52 6.264 7.593 0.817 1.00 0.00 C ATOM 726 CG TYR A 52 6.037 9.059 1.113 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.152 9.443 2.129 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.727 10.034 0.384 1.00 0.00 C ATOM 729 CE1 TYR A 52 4.961 10.797 2.416 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.533 11.390 0.668 1.00 0.00 C ATOM 731 CZ TYR A 52 5.649 11.772 1.686 1.00 0.00 C ATOM 732 OH TYR A 52 5.462 13.109 1.973 1.00 0.00 O ATOM 0 H TYR A 52 6.222 5.215 0.345 1.00 0.00 H new ATOM 0 HA TYR A 52 4.199 7.136 1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.766 7.118 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.921 7.486 -0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.617 8.692 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.410 9.739 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.282 11.091 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.064 12.142 0.103 1.00 0.00 H new ATOM 0 HH TYR A 52 4.947 13.529 1.253 1.00 0.00 H new ATOM 742 N ASN A 53 3.032 7.569 -0.824 1.00 0.00 N ATOM 743 CA ASN A 53 2.371 8.009 -2.096 1.00 0.00 C ATOM 744 C ASN A 53 2.783 9.450 -2.453 1.00 0.00 C ATOM 745 O ASN A 53 2.352 9.998 -3.451 1.00 0.00 O ATOM 746 CB ASN A 53 0.868 7.926 -1.790 1.00 0.00 C ATOM 747 CG ASN A 53 0.057 8.531 -2.939 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.174 7.885 -3.943 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.388 9.756 -2.835 1.00 0.00 N ATOM 0 H ASN A 53 2.406 7.471 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 53 2.654 7.394 -2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.578 6.886 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.649 8.456 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.928 10.169 -3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.195 10.299 -1.993 1.00 0.00 H new ATOM 756 N GLY A 54 3.595 10.069 -1.635 1.00 0.00 N ATOM 757 CA GLY A 54 4.014 11.475 -1.893 1.00 0.00 C ATOM 758 C GLY A 54 3.560 12.325 -0.704 1.00 0.00 C ATOM 759 O GLY A 54 4.063 13.408 -0.471 1.00 0.00 O ATOM 0 H GLY A 54 3.989 9.654 -0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.096 11.535 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.569 11.843 -2.817 1.00 0.00 H new ATOM 763 N LYS A 55 2.608 11.823 0.052 1.00 0.00 N ATOM 764 CA LYS A 55 2.098 12.565 1.242 1.00 0.00 C ATOM 765 C LYS A 55 1.841 11.607 2.417 1.00 0.00 C ATOM 766 O LYS A 55 1.906 12.004 3.566 1.00 0.00 O ATOM 767 CB LYS A 55 0.779 13.216 0.801 1.00 0.00 C ATOM 768 CG LYS A 55 -0.003 12.284 -0.135 1.00 0.00 C ATOM 769 CD LYS A 55 -1.443 12.784 -0.265 1.00 0.00 C ATOM 770 CE LYS A 55 -2.275 11.760 -1.042 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.678 12.258 -0.966 1.00 0.00 N ATOM 0 H LYS A 55 2.161 10.921 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 55 2.824 13.304 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.174 13.451 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.985 14.159 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.472 12.253 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.006 11.267 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.874 12.943 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.460 13.746 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.940 11.684 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.186 10.766 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.306 11.606 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.973 12.314 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.735 13.203 -1.397 1.00 0.00 H new ATOM 785 N GLN A 56 1.522 10.360 2.144 1.00 0.00 N ATOM 786 CA GLN A 56 1.226 9.401 3.249 1.00 0.00 C ATOM 787 C GLN A 56 1.925 8.050 3.040 1.00 0.00 C ATOM 788 O GLN A 56 2.210 7.645 1.929 1.00 0.00 O ATOM 789 CB GLN A 56 -0.304 9.273 3.203 1.00 0.00 C ATOM 790 CG GLN A 56 -0.747 7.872 2.765 1.00 0.00 C ATOM 791 CD GLN A 56 -1.475 7.178 3.919 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.803 6.813 4.979 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.669 6.963 3.857 1.00 0.00 N flip ATOM 0 H GLN A 56 1.455 9.970 1.204 1.00 0.00 H new ATOM 0 HA GLN A 56 1.592 9.744 4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.717 9.493 4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.710 10.014 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.403 7.942 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.119 7.284 2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.196 7.247 3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.144 6.499 4.631 1.00 0.00 H new ATOM 802 N HIS A 57 2.158 7.344 4.117 1.00 0.00 N ATOM 803 CA HIS A 57 2.789 5.998 4.041 1.00 0.00 C ATOM 804 C HIS A 57 1.677 4.959 4.197 1.00 0.00 C ATOM 805 O HIS A 57 1.088 4.842 5.252 1.00 0.00 O ATOM 806 CB HIS A 57 3.770 5.898 5.229 1.00 0.00 C ATOM 807 CG HIS A 57 4.122 7.263 5.772 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.947 8.143 5.092 1.00 0.00 N ATOM 809 CD2 HIS A 57 3.733 7.920 6.914 1.00 0.00 C ATOM 810 CE1 HIS A 57 5.020 9.272 5.819 1.00 0.00 C ATOM 811 NE2 HIS A 57 4.300 9.189 6.940 1.00 0.00 N ATOM 0 H HIS A 57 1.932 7.653 5.063 1.00 0.00 H new ATOM 0 HA HIS A 57 3.315 5.834 3.100 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.325 5.294 6.020 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.678 5.387 4.910 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.414 7.967 4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.085 7.513 7.676 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.592 10.141 5.531 1.00 0.00 H new ATOM 819 N VAL A 58 1.366 4.225 3.162 1.00 0.00 N ATOM 820 CA VAL A 58 0.269 3.213 3.269 1.00 0.00 C ATOM 821 C VAL A 58 0.869 1.822 3.512 1.00 0.00 C ATOM 822 O VAL A 58 1.259 1.153 2.572 1.00 0.00 O ATOM 823 CB VAL A 58 -0.462 3.270 1.917 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.748 2.444 1.995 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.819 4.725 1.578 1.00 0.00 C ATOM 0 H VAL A 58 1.820 4.280 2.250 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.410 3.415 4.098 1.00 0.00 H new ATOM 0 HB VAL A 58 0.190 2.866 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.265 2.485 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.502 1.409 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.394 2.849 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.337 4.759 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.467 5.131 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.093 5.319 1.519 1.00 0.00 H new ATOM 835 N PRO A 59 0.949 1.435 4.777 1.00 0.00 N ATOM 836 CA PRO A 59 1.534 0.118 5.145 1.00 0.00 C ATOM 837 C PRO A 59 0.609 -0.993 4.688 1.00 0.00 C ATOM 838 O PRO A 59 -0.349 -1.348 5.352 1.00 0.00 O ATOM 839 CB PRO A 59 1.632 0.167 6.667 1.00 0.00 C ATOM 840 CG PRO A 59 0.596 1.160 7.077 1.00 0.00 C ATOM 841 CD PRO A 59 0.500 2.169 5.962 1.00 0.00 C ATOM 0 HA PRO A 59 2.502 -0.073 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.441 -0.811 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.626 0.474 6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.365 0.672 7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.872 1.643 8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.520 2.535 5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.129 3.038 6.155 1.00 0.00 H new ATOM 849 N VAL A 60 0.880 -1.512 3.537 1.00 0.00 N ATOM 850 CA VAL A 60 0.014 -2.582 2.978 1.00 0.00 C ATOM 851 C VAL A 60 0.732 -3.928 2.918 1.00 0.00 C ATOM 852 O VAL A 60 1.799 -4.047 2.338 1.00 0.00 O ATOM 853 CB VAL A 60 -0.311 -2.125 1.558 1.00 0.00 C ATOM 854 CG1 VAL A 60 -1.260 -3.137 0.918 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.965 -0.741 1.591 1.00 0.00 C ATOM 0 H VAL A 60 1.669 -1.243 2.950 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.869 -2.727 3.601 1.00 0.00 H new ATOM 0 HB VAL A 60 0.606 -2.062 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.499 -2.820 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.782 -4.116 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.177 -3.197 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.194 -0.422 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.886 -0.787 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.282 -0.027 2.050 1.00 0.00 H new ATOM 865 N TYR A 61 0.124 -4.953 3.462 1.00 0.00 N ATOM 866 CA TYR A 61 0.734 -6.308 3.375 1.00 0.00 C ATOM 867 C TYR A 61 0.575 -6.761 1.926 1.00 0.00 C ATOM 868 O TYR A 61 -0.506 -7.105 1.482 1.00 0.00 O ATOM 869 CB TYR A 61 -0.060 -7.201 4.329 1.00 0.00 C ATOM 870 CG TYR A 61 0.836 -8.308 4.828 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.186 -9.367 3.978 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.320 -8.275 6.139 1.00 0.00 C ATOM 873 CE1 TYR A 61 2.017 -10.390 4.442 1.00 0.00 C ATOM 874 CE2 TYR A 61 2.152 -9.297 6.603 1.00 0.00 C ATOM 875 CZ TYR A 61 2.501 -10.357 5.755 1.00 0.00 C ATOM 876 OH TYR A 61 3.320 -11.367 6.214 1.00 0.00 O ATOM 0 H TYR A 61 -0.765 -4.907 3.960 1.00 0.00 H new ATOM 0 HA TYR A 61 1.789 -6.338 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.436 -6.615 5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.927 -7.620 3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.813 -9.392 2.965 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.051 -7.459 6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.286 -11.206 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.526 -9.270 7.616 1.00 0.00 H new ATOM 0 HH TYR A 61 3.098 -12.203 5.753 1.00 0.00 H new ATOM 886 N ILE A 62 1.630 -6.680 1.172 1.00 0.00 N ATOM 887 CA ILE A 62 1.546 -7.012 -0.285 1.00 0.00 C ATOM 888 C ILE A 62 1.228 -8.474 -0.578 1.00 0.00 C ATOM 889 O ILE A 62 0.258 -8.761 -1.254 1.00 0.00 O ATOM 890 CB ILE A 62 2.904 -6.641 -0.869 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.163 -5.140 -0.667 1.00 0.00 C ATOM 892 CG2 ILE A 62 2.882 -6.953 -2.369 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.296 -4.942 0.341 1.00 0.00 C ATOM 0 H ILE A 62 2.554 -6.397 1.497 1.00 0.00 H new ATOM 0 HA ILE A 62 0.719 -6.459 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 62 3.692 -7.208 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.424 -4.675 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.257 -4.650 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.845 -6.695 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.689 -8.015 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.096 -6.371 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.476 -3.876 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.018 -5.391 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.203 -5.417 -0.033 1.00 0.00 H new ATOM 905 N THR A 63 2.059 -9.388 -0.149 1.00 0.00 N ATOM 906 CA THR A 63 1.836 -10.833 -0.474 1.00 0.00 C ATOM 907 C THR A 63 2.141 -11.038 -1.968 1.00 0.00 C ATOM 908 O THR A 63 2.371 -10.087 -2.692 1.00 0.00 O ATOM 909 CB THR A 63 0.363 -11.147 -0.151 1.00 0.00 C ATOM 910 OG1 THR A 63 0.003 -10.547 1.088 1.00 0.00 O ATOM 911 CG2 THR A 63 0.174 -12.660 -0.050 1.00 0.00 C ATOM 0 H THR A 63 2.887 -9.197 0.415 1.00 0.00 H new ATOM 0 HA THR A 63 2.480 -11.497 0.102 1.00 0.00 H new ATOM 0 HB THR A 63 -0.270 -10.749 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.935 -10.748 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.868 -12.882 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.444 -13.125 -0.998 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.811 -13.054 0.742 1.00 0.00 H new ATOM 919 N GLU A 64 2.162 -12.256 -2.436 1.00 0.00 N ATOM 920 CA GLU A 64 2.475 -12.502 -3.878 1.00 0.00 C ATOM 921 C GLU A 64 1.247 -12.206 -4.750 1.00 0.00 C ATOM 922 O GLU A 64 0.669 -13.096 -5.348 1.00 0.00 O ATOM 923 CB GLU A 64 2.862 -13.984 -3.956 1.00 0.00 C ATOM 924 CG GLU A 64 3.913 -14.185 -5.052 1.00 0.00 C ATOM 925 CD GLU A 64 3.220 -14.518 -6.376 1.00 0.00 C ATOM 926 OE1 GLU A 64 2.869 -15.671 -6.566 1.00 0.00 O ATOM 927 OE2 GLU A 64 3.051 -13.613 -7.178 1.00 0.00 O ATOM 0 H GLU A 64 1.976 -13.094 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 64 3.275 -11.858 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.255 -14.318 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.981 -14.589 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.515 -13.283 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.593 -14.990 -4.774 1.00 0.00 H new ATOM 934 N ASN A 65 0.844 -10.960 -4.823 1.00 0.00 N ATOM 935 CA ASN A 65 -0.353 -10.606 -5.653 1.00 0.00 C ATOM 936 C ASN A 65 -0.524 -9.085 -5.828 1.00 0.00 C ATOM 937 O ASN A 65 -1.162 -8.646 -6.768 1.00 0.00 O ATOM 938 CB ASN A 65 -1.548 -11.181 -4.886 1.00 0.00 C ATOM 939 CG ASN A 65 -2.730 -11.368 -5.842 1.00 0.00 C ATOM 940 OD1 ASN A 65 -2.833 -12.378 -6.508 1.00 0.00 O ATOM 941 ND2 ASN A 65 -3.632 -10.428 -5.938 1.00 0.00 N ATOM 0 H ASN A 65 1.289 -10.176 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.254 -11.009 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.278 -12.136 -4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.827 -10.511 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.423 -10.543 -6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.546 -9.579 -5.379 1.00 0.00 H new ATOM 948 N MET A 66 -0.003 -8.273 -4.935 1.00 0.00 N ATOM 949 CA MET A 66 -0.202 -6.790 -5.079 1.00 0.00 C ATOM 950 C MET A 66 1.102 -6.051 -5.453 1.00 0.00 C ATOM 951 O MET A 66 1.143 -4.838 -5.444 1.00 0.00 O ATOM 952 CB MET A 66 -0.704 -6.348 -3.709 1.00 0.00 C ATOM 953 CG MET A 66 -2.048 -7.020 -3.408 1.00 0.00 C ATOM 954 SD MET A 66 -2.386 -6.931 -1.631 1.00 0.00 S ATOM 955 CE MET A 66 -2.876 -8.659 -1.404 1.00 0.00 C ATOM 0 H MET A 66 0.543 -8.565 -4.125 1.00 0.00 H new ATOM 0 HA MET A 66 -0.896 -6.556 -5.886 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.025 -6.611 -2.942 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.815 -5.264 -3.684 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.845 -6.528 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.027 -8.060 -3.733 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.943 -8.881 -0.339 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.846 -8.826 -1.871 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.134 -9.311 -1.865 1.00 0.00 H new ATOM 965 N VAL A 67 2.161 -6.752 -5.780 1.00 0.00 N ATOM 966 CA VAL A 67 3.450 -6.054 -6.134 1.00 0.00 C ATOM 967 C VAL A 67 3.554 -5.726 -7.635 1.00 0.00 C ATOM 968 O VAL A 67 2.817 -6.244 -8.453 1.00 0.00 O ATOM 969 CB VAL A 67 4.552 -7.045 -5.745 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.430 -8.320 -6.589 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.922 -6.412 -5.993 1.00 0.00 C ATOM 0 H VAL A 67 2.195 -7.771 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 67 3.523 -5.098 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 67 4.446 -7.296 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.217 -9.020 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.457 -8.779 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.530 -8.068 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.705 -7.118 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.020 -6.158 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.019 -5.508 -5.392 1.00 0.00 H new ATOM 981 N GLY A 68 4.505 -4.882 -7.992 1.00 0.00 N ATOM 982 CA GLY A 68 4.721 -4.527 -9.427 1.00 0.00 C ATOM 983 C GLY A 68 4.202 -3.123 -9.743 1.00 0.00 C ATOM 984 O GLY A 68 4.510 -2.577 -10.786 1.00 0.00 O ATOM 0 H GLY A 68 5.142 -4.425 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.784 -4.584 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.216 -5.254 -10.063 1.00 0.00 H new ATOM 988 N HIS A 69 3.420 -2.529 -8.876 1.00 0.00 N ATOM 989 CA HIS A 69 2.901 -1.165 -9.176 1.00 0.00 C ATOM 990 C HIS A 69 3.489 -0.140 -8.198 1.00 0.00 C ATOM 991 O HIS A 69 4.522 0.442 -8.451 1.00 0.00 O ATOM 992 CB HIS A 69 1.375 -1.268 -9.026 1.00 0.00 C ATOM 993 CG HIS A 69 0.819 -2.128 -10.133 1.00 0.00 C ATOM 994 ND1 HIS A 69 1.142 -3.392 -10.570 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.216 -1.700 -10.950 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.323 -3.741 -11.640 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.476 -2.688 -11.827 1.00 0.00 N flip ATOM 0 H HIS A 69 3.123 -2.926 -7.985 1.00 0.00 H new ATOM 0 HA HIS A 69 3.180 -0.830 -10.175 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.122 -1.696 -8.056 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.927 -0.275 -9.062 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.722 -0.747 -10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.332 -4.665 -12.199 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.196 -2.638 -12.547 1.00 0.00 H new ATOM 1005 N LYS A 70 2.824 0.085 -7.097 1.00 0.00 N ATOM 1006 CA LYS A 70 3.304 1.069 -6.069 1.00 0.00 C ATOM 1007 C LYS A 70 2.284 1.142 -4.931 1.00 0.00 C ATOM 1008 O LYS A 70 2.614 1.303 -3.772 1.00 0.00 O ATOM 1009 CB LYS A 70 3.423 2.436 -6.771 1.00 0.00 C ATOM 1010 CG LYS A 70 2.297 2.618 -7.793 1.00 0.00 C ATOM 1011 CD LYS A 70 1.119 3.353 -7.149 1.00 0.00 C ATOM 1012 CE LYS A 70 0.419 4.224 -8.198 1.00 0.00 C ATOM 1013 NZ LYS A 70 -0.820 3.477 -8.562 1.00 0.00 N ATOM 0 H LYS A 70 1.948 -0.380 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 70 4.266 0.773 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.382 3.235 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.389 2.512 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.662 3.181 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.971 1.646 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.415 2.634 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.471 3.972 -6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.181 5.209 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.055 4.380 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.351 4.014 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.563 2.546 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.410 3.350 -7.715 1.00 0.00 H new ATOM 1027 N LEU A 71 1.040 1.018 -5.302 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.107 1.067 -4.336 1.00 0.00 C ATOM 1029 C LEU A 71 -1.462 0.857 -5.068 1.00 0.00 C ATOM 1030 O LEU A 71 -2.472 0.618 -4.433 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.045 2.460 -3.677 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.756 3.508 -4.543 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.176 3.737 -4.016 1.00 0.00 C ATOM 1034 CD2 LEU A 71 0.023 4.825 -4.487 1.00 0.00 C ATOM 0 H LEU A 71 0.756 0.879 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.035 0.272 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.509 2.421 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.995 2.750 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.805 3.152 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.678 4.482 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.733 2.801 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.129 4.091 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.480 5.572 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.071 5.176 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.034 4.666 -4.863 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.495 0.941 -6.392 1.00 0.00 N ATOM 1047 CA GLY A 72 -2.775 0.744 -7.142 1.00 0.00 C ATOM 1048 C GLY A 72 -3.151 -0.743 -7.171 1.00 0.00 C ATOM 1049 O GLY A 72 -4.280 -1.096 -7.445 1.00 0.00 O ATOM 0 H GLY A 72 -0.683 1.138 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.573 1.319 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.670 1.119 -8.160 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.221 -1.612 -6.859 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.525 -3.075 -6.831 1.00 0.00 C ATOM 1055 C GLU A 73 -3.229 -3.399 -5.520 1.00 0.00 C ATOM 1056 O GLU A 73 -3.922 -4.392 -5.395 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.166 -3.774 -6.872 1.00 0.00 C ATOM 1058 CG GLU A 73 -0.731 -3.972 -8.319 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.027 -5.410 -8.755 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -0.200 -6.268 -8.496 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -2.077 -5.626 -9.338 1.00 0.00 O ATOM 0 H GLU A 73 -1.259 -1.368 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.163 -3.388 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.425 -3.180 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.227 -4.737 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.257 -3.270 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.334 -3.763 -8.421 1.00 0.00 H new