USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 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 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 46 ASN : amide:sc= 0 K(o=-1.5,f=-2.2) USER MOD Set 1.3: A 72 MET CE :methyl -139:sc= -1.49 (180deg=-2.65) USER MOD Set 2.1: A 69 SER OG : rot 170:sc= 0.0137 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0826 USER MOD Set 3.1: A 10 HIS : no HE2:sc= 0.235 K(o=1,f=-3.3) USER MOD Set 3.2: A 81 SER OG : rot -97:sc= 0.806 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.0267 K(o=-0.027,f=-1.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00134) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.95! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.579) USER MOD Single : A 33 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 34 THR OG1 : rot 80:sc= 0.457 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.55) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -130:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 2.768 -16.545 1.893 1.00 0.00 N ATOM 30 CA ASP A 3 1.925 -15.767 2.797 1.00 0.00 C ATOM 31 C ASP A 3 2.667 -14.525 3.274 1.00 0.00 C ATOM 32 O ASP A 3 3.246 -14.512 4.363 1.00 0.00 O ATOM 33 CB ASP A 3 1.490 -16.617 3.998 1.00 0.00 C ATOM 34 CG ASP A 3 -0.004 -16.888 4.001 1.00 0.00 C ATOM 35 OD1 ASP A 3 -0.785 -15.920 4.129 1.00 0.00 O ATOM 36 OD2 ASP A 3 -0.391 -18.067 3.876 1.00 0.00 O ATOM 0 HA ASP A 3 1.033 -15.457 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.029 -17.564 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.766 -16.107 4.921 1.00 0.00 H new ATOM 41 N VAL A 4 2.655 -13.481 2.449 1.00 0.00 N ATOM 42 CA VAL A 4 3.333 -12.236 2.788 1.00 0.00 C ATOM 43 C VAL A 4 2.489 -11.401 3.745 1.00 0.00 C ATOM 44 O VAL A 4 1.330 -11.096 3.463 1.00 0.00 O ATOM 45 CB VAL A 4 3.651 -11.396 1.533 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.479 -10.176 1.910 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.375 -12.232 0.483 1.00 0.00 C ATOM 0 H VAL A 4 2.184 -13.474 1.544 1.00 0.00 H new ATOM 0 HA VAL A 4 4.271 -12.510 3.271 1.00 0.00 H new ATOM 0 HB VAL A 4 2.709 -11.059 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.696 -9.593 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.921 -9.562 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.414 -10.498 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.587 -11.615 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.311 -12.607 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.746 -13.072 0.190 1.00 0.00 H new ATOM 57 N ARG A 5 3.081 -11.036 4.879 1.00 0.00 N ATOM 58 CA ARG A 5 2.391 -10.236 5.883 1.00 0.00 C ATOM 59 C ARG A 5 2.692 -8.750 5.690 1.00 0.00 C ATOM 60 O ARG A 5 3.796 -8.288 5.992 1.00 0.00 O ATOM 61 CB ARG A 5 2.809 -10.674 7.288 1.00 0.00 C ATOM 62 CG ARG A 5 2.429 -12.110 7.621 1.00 0.00 C ATOM 63 CD ARG A 5 3.178 -12.616 8.846 1.00 0.00 C ATOM 64 NE ARG A 5 4.528 -13.075 8.515 1.00 0.00 N ATOM 65 CZ ARG A 5 5.623 -12.307 8.579 1.00 0.00 C ATOM 66 NH1 ARG A 5 5.544 -11.040 8.980 1.00 0.00 N ATOM 67 NH2 ARG A 5 6.806 -12.814 8.243 1.00 0.00 N ATOM 0 H ARG A 5 4.040 -11.283 5.125 1.00 0.00 H new ATOM 0 HA ARG A 5 1.319 -10.392 5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.889 -10.561 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.350 -10.008 8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.355 -12.171 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.648 -12.753 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.238 -11.820 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.619 -13.434 9.300 1.00 0.00 H new ATOM 0 HE ARG A 5 4.642 -14.043 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.642 -10.644 9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.386 -10.466 9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.877 -13.785 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.642 -12.232 8.290 1.00 0.00 H new ATOM 81 N ILE A 6 1.709 -8.009 5.183 1.00 0.00 N ATOM 82 CA ILE A 6 1.869 -6.576 4.946 1.00 0.00 C ATOM 83 C ILE A 6 1.188 -5.760 6.044 1.00 0.00 C ATOM 84 O ILE A 6 0.048 -6.043 6.425 1.00 0.00 O ATOM 85 CB ILE A 6 1.293 -6.158 3.575 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.722 -7.142 2.480 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.732 -4.745 3.219 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.657 -8.161 2.129 1.00 0.00 C ATOM 0 H ILE A 6 0.793 -8.378 4.928 1.00 0.00 H new ATOM 0 HA ILE A 6 2.940 -6.373 4.954 1.00 0.00 H new ATOM 0 HB ILE A 6 0.205 -6.177 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.987 -6.582 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.621 -7.666 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.317 -4.468 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.374 -4.050 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.820 -4.703 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.030 -8.823 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.409 -8.747 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.235 -7.647 1.772 1.00 0.00 H new ATOM 100 N LYS A 7 1.890 -4.744 6.544 1.00 0.00 N ATOM 101 CA LYS A 7 1.357 -3.880 7.595 1.00 0.00 C ATOM 102 C LYS A 7 0.836 -2.569 7.005 1.00 0.00 C ATOM 103 O LYS A 7 1.594 -1.799 6.413 1.00 0.00 O ATOM 104 CB LYS A 7 2.432 -3.596 8.648 1.00 0.00 C ATOM 105 CG LYS A 7 2.688 -4.763 9.591 1.00 0.00 C ATOM 106 CD LYS A 7 3.916 -4.525 10.455 1.00 0.00 C ATOM 107 CE LYS A 7 4.271 -5.757 11.275 1.00 0.00 C ATOM 108 NZ LYS A 7 3.868 -5.616 12.705 1.00 0.00 N ATOM 0 H LYS A 7 2.831 -4.499 6.237 1.00 0.00 H new ATOM 0 HA LYS A 7 0.525 -4.397 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.363 -3.337 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.134 -2.726 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.817 -4.914 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.821 -5.677 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.760 -4.253 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.734 -3.683 11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.781 -6.631 10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.345 -5.933 11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.129 -6.478 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.355 -4.798 13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.839 -5.474 12.763 1.00 0.00 H new ATOM 122 N PHE A 8 -0.466 -2.328 7.169 1.00 0.00 N ATOM 123 CA PHE A 8 -1.100 -1.116 6.652 1.00 0.00 C ATOM 124 C PHE A 8 -1.448 -0.150 7.784 1.00 0.00 C ATOM 125 O PHE A 8 -2.033 -0.549 8.793 1.00 0.00 O ATOM 126 CB PHE A 8 -2.364 -1.476 5.866 1.00 0.00 C ATOM 127 CG PHE A 8 -2.089 -2.232 4.596 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.962 -3.611 4.606 1.00 0.00 C ATOM 129 CD2 PHE A 8 -1.956 -1.561 3.390 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.711 -4.307 3.439 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.704 -2.251 2.221 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.581 -3.626 2.245 1.00 0.00 C ATOM 0 H PHE A 8 -1.102 -2.958 7.657 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.391 -0.622 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.018 -2.074 6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.904 -0.561 5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.060 -4.149 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.051 -0.485 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.617 -5.383 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.603 -1.716 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.384 -4.168 1.332 1.00 0.00 H new ATOM 142 N GLU A 9 -1.083 1.121 7.607 1.00 0.00 N ATOM 143 CA GLU A 9 -1.353 2.146 8.612 1.00 0.00 C ATOM 144 C GLU A 9 -2.093 3.338 8.002 1.00 0.00 C ATOM 145 O GLU A 9 -1.698 3.856 6.954 1.00 0.00 O ATOM 146 CB GLU A 9 -0.043 2.615 9.253 1.00 0.00 C ATOM 147 CG GLU A 9 -0.142 2.841 10.756 1.00 0.00 C ATOM 148 CD GLU A 9 1.212 2.837 11.443 1.00 0.00 C ATOM 149 OE1 GLU A 9 2.152 3.469 10.915 1.00 0.00 O ATOM 150 OE2 GLU A 9 1.331 2.204 12.515 1.00 0.00 O ATOM 0 H GLU A 9 -0.600 1.463 6.777 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.991 1.706 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.733 1.875 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.273 3.542 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.636 3.794 10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.769 2.065 11.195 1.00 0.00 H new ATOM 157 N HIS A 10 -3.164 3.766 8.670 1.00 0.00 N ATOM 158 CA HIS A 10 -3.966 4.897 8.208 1.00 0.00 C ATOM 159 C HIS A 10 -4.381 5.777 9.387 1.00 0.00 C ATOM 160 O HIS A 10 -5.039 5.307 10.317 1.00 0.00 O ATOM 161 CB HIS A 10 -5.208 4.397 7.466 1.00 0.00 C ATOM 162 CG HIS A 10 -5.895 5.445 6.642 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.254 5.448 6.415 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.404 6.523 5.981 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.571 6.478 5.650 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.466 7.147 5.374 1.00 0.00 N ATOM 0 H HIS A 10 -3.497 3.344 9.537 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.360 5.492 7.525 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.921 3.570 6.816 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.917 4.000 8.193 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.914 4.761 6.781 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.370 6.833 5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.564 6.730 5.309 1.00 0.00 H new ATOM 175 N ASN A 11 -3.988 7.054 9.341 1.00 0.00 N ATOM 176 CA ASN A 11 -4.310 8.008 10.407 1.00 0.00 C ATOM 177 C ASN A 11 -3.789 7.520 11.765 1.00 0.00 C ATOM 178 O ASN A 11 -4.393 7.794 12.805 1.00 0.00 O ATOM 179 CB ASN A 11 -5.826 8.236 10.480 1.00 0.00 C ATOM 180 CG ASN A 11 -6.317 9.269 9.481 1.00 0.00 C ATOM 181 OD1 ASN A 11 -5.560 9.738 8.629 1.00 0.00 O ATOM 182 ND2 ASN A 11 -7.591 9.631 9.583 1.00 0.00 N ATOM 0 H ASN A 11 -3.445 7.452 8.575 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.817 8.951 10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.339 7.291 10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.092 8.557 11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.978 10.323 8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.183 9.217 10.304 1.00 0.00 H new ATOM 189 N GLY A 12 -2.671 6.792 11.747 1.00 0.00 N ATOM 190 CA GLY A 12 -2.098 6.272 12.978 1.00 0.00 C ATOM 191 C GLY A 12 -2.551 4.851 13.290 1.00 0.00 C ATOM 192 O GLY A 12 -1.811 4.082 13.907 1.00 0.00 O ATOM 0 H GLY A 12 -2.153 6.554 10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.011 6.293 12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.374 6.926 13.806 1.00 0.00 H new ATOM 196 N GLU A 13 -3.769 4.501 12.863 1.00 0.00 N ATOM 197 CA GLU A 13 -4.320 3.164 13.102 1.00 0.00 C ATOM 198 C GLU A 13 -3.523 2.096 12.353 1.00 0.00 C ATOM 199 O GLU A 13 -3.106 2.305 11.212 1.00 0.00 O ATOM 200 CB GLU A 13 -5.789 3.106 12.675 1.00 0.00 C ATOM 201 CG GLU A 13 -6.671 4.135 13.369 1.00 0.00 C ATOM 202 CD GLU A 13 -8.017 3.572 13.783 1.00 0.00 C ATOM 203 OE1 GLU A 13 -8.058 2.778 14.746 1.00 0.00 O ATOM 204 OE2 GLU A 13 -9.030 3.923 13.143 1.00 0.00 O ATOM 0 H GLU A 13 -4.392 5.125 12.350 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.249 2.963 14.171 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.851 3.256 11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.179 2.109 12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.154 4.514 14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.827 4.983 12.702 1.00 0.00 H new ATOM 211 N ARG A 14 -3.319 0.950 13.005 1.00 0.00 N ATOM 212 CA ARG A 14 -2.572 -0.157 12.409 1.00 0.00 C ATOM 213 C ARG A 14 -3.510 -1.270 11.935 1.00 0.00 C ATOM 214 O ARG A 14 -4.621 -1.422 12.447 1.00 0.00 O ATOM 215 CB ARG A 14 -1.565 -0.721 13.419 1.00 0.00 C ATOM 216 CG ARG A 14 -0.243 -1.143 12.794 1.00 0.00 C ATOM 217 CD ARG A 14 0.516 -2.113 13.689 1.00 0.00 C ATOM 218 NE ARG A 14 1.952 -1.834 13.711 1.00 0.00 N ATOM 219 CZ ARG A 14 2.500 -0.773 14.311 1.00 0.00 C ATOM 220 NH1 ARG A 14 1.734 0.123 14.930 1.00 0.00 N ATOM 221 NH2 ARG A 14 3.819 -0.606 14.290 1.00 0.00 N ATOM 0 H ARG A 14 -3.662 0.765 13.948 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.037 0.230 11.542 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.371 0.031 14.184 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.010 -1.580 13.921 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.430 -1.610 11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.371 -0.261 12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.120 -2.055 14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.351 -3.132 13.340 1.00 0.00 H new ATOM 0 HE ARG A 14 2.574 -2.490 13.239 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.721 0.002 14.949 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.160 0.930 15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.412 -1.287 13.816 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.238 0.204 14.748 1.00 0.00 H new ATOM 235 N ARG A 15 -3.047 -2.049 10.954 1.00 0.00 N ATOM 236 CA ARG A 15 -3.831 -3.156 10.408 1.00 0.00 C ATOM 237 C ARG A 15 -2.921 -4.259 9.865 1.00 0.00 C ATOM 238 O ARG A 15 -1.854 -3.979 9.311 1.00 0.00 O ATOM 239 CB ARG A 15 -4.759 -2.653 9.297 1.00 0.00 C ATOM 240 CG ARG A 15 -6.045 -3.453 9.170 1.00 0.00 C ATOM 241 CD ARG A 15 -7.156 -2.868 10.031 1.00 0.00 C ATOM 242 NE ARG A 15 -7.910 -1.828 9.329 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.683 -0.925 9.939 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.811 -0.931 11.264 1.00 0.00 N ATOM 245 NH2 ARG A 15 -9.331 -0.013 9.224 1.00 0.00 N ATOM 0 H ARG A 15 -2.131 -1.932 10.522 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.432 -3.573 11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.008 -1.609 9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.226 -2.685 8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.362 -3.470 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.862 -4.486 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.835 -3.664 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.726 -2.451 10.942 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.841 -1.790 8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.317 -1.628 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.403 -0.238 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.239 -0.001 8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.921 0.676 9.690 1.00 0.00 H new ATOM 259 N ILE A 16 -3.350 -5.511 10.027 1.00 0.00 N ATOM 260 CA ILE A 16 -2.577 -6.659 9.555 1.00 0.00 C ATOM 261 C ILE A 16 -3.306 -7.382 8.422 1.00 0.00 C ATOM 262 O ILE A 16 -4.477 -7.745 8.562 1.00 0.00 O ATOM 263 CB ILE A 16 -2.300 -7.669 10.693 1.00 0.00 C ATOM 264 CG1 ILE A 16 -1.745 -6.954 11.929 1.00 0.00 C ATOM 265 CG2 ILE A 16 -1.337 -8.752 10.224 1.00 0.00 C ATOM 266 CD1 ILE A 16 -1.817 -7.787 13.191 1.00 0.00 C ATOM 0 H ILE A 16 -4.230 -5.756 10.482 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.628 -6.267 9.190 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.243 -8.142 10.967 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.707 -6.678 11.744 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.299 -6.028 12.082 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.154 -9.453 11.038 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.772 -9.284 9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.395 -8.295 9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.407 -7.219 14.026 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.856 -8.041 13.400 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.240 -8.702 13.057 1.00 0.00 H new ATOM 278 N ILE A 17 -2.611 -7.593 7.303 1.00 0.00 N ATOM 279 CA ILE A 17 -3.198 -8.278 6.154 1.00 0.00 C ATOM 280 C ILE A 17 -2.208 -9.257 5.527 1.00 0.00 C ATOM 281 O ILE A 17 -1.088 -8.881 5.170 1.00 0.00 O ATOM 282 CB ILE A 17 -3.672 -7.276 5.076 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.481 -6.143 5.715 1.00 0.00 C ATOM 284 CG2 ILE A 17 -4.499 -7.990 4.013 1.00 0.00 C ATOM 285 CD1 ILE A 17 -4.968 -5.107 4.725 1.00 0.00 C ATOM 0 H ILE A 17 -1.643 -7.300 7.170 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.061 -8.830 6.527 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.794 -6.843 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.340 -6.570 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.867 -5.651 6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.825 -7.271 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.893 -8.761 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.371 -8.449 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.532 -4.337 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.113 -4.652 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.610 -5.585 3.985 1.00 0.00 H new ATOM 297 N ALA A 18 -2.631 -10.516 5.396 1.00 0.00 N ATOM 298 CA ALA A 18 -1.789 -11.557 4.810 1.00 0.00 C ATOM 299 C ALA A 18 -2.351 -12.027 3.469 1.00 0.00 C ATOM 300 O ALA A 18 -3.540 -12.334 3.360 1.00 0.00 O ATOM 301 CB ALA A 18 -1.660 -12.733 5.770 1.00 0.00 C ATOM 0 H ALA A 18 -3.553 -10.838 5.689 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.800 -11.134 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.030 -13.501 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.209 -12.394 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.648 -13.147 5.974 1.00 0.00 H new ATOM 307 N PHE A 19 -1.486 -12.084 2.455 1.00 0.00 N ATOM 308 CA PHE A 19 -1.891 -12.519 1.121 1.00 0.00 C ATOM 309 C PHE A 19 -0.969 -13.625 0.609 1.00 0.00 C ATOM 310 O PHE A 19 0.254 -13.467 0.591 1.00 0.00 O ATOM 311 CB PHE A 19 -1.879 -11.338 0.144 1.00 0.00 C ATOM 312 CG PHE A 19 -2.991 -10.350 0.367 1.00 0.00 C ATOM 313 CD1 PHE A 19 -4.317 -10.757 0.342 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.710 -9.012 0.595 1.00 0.00 C ATOM 315 CE1 PHE A 19 -5.339 -9.848 0.544 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.728 -8.100 0.797 1.00 0.00 C ATOM 317 CZ PHE A 19 -5.044 -8.518 0.771 1.00 0.00 C ATOM 0 H PHE A 19 -0.500 -11.834 2.534 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.905 -12.912 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.924 -10.820 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.946 -11.721 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.554 -11.795 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.683 -8.678 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.367 -10.178 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.495 -7.061 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.841 -7.806 0.928 1.00 0.00 H new ATOM 327 N SER A 20 -1.563 -14.743 0.192 1.00 0.00 N ATOM 328 CA SER A 20 -0.799 -15.876 -0.324 1.00 0.00 C ATOM 329 C SER A 20 -0.149 -15.532 -1.662 1.00 0.00 C ATOM 330 O SER A 20 -0.819 -15.065 -2.585 1.00 0.00 O ATOM 331 CB SER A 20 -1.708 -17.098 -0.487 1.00 0.00 C ATOM 332 OG SER A 20 -0.957 -18.263 -0.786 1.00 0.00 O ATOM 0 H SER A 20 -2.573 -14.887 0.202 1.00 0.00 H new ATOM 0 HA SER A 20 -0.012 -16.108 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.277 -17.255 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.429 -16.914 -1.283 1.00 0.00 H new ATOM 0 HG SER A 20 -1.563 -19.027 -0.883 1.00 0.00 H new ATOM 338 N ARG A 21 1.158 -15.765 -1.759 1.00 0.00 N ATOM 339 CA ARG A 21 1.899 -15.479 -2.985 1.00 0.00 C ATOM 340 C ARG A 21 1.538 -16.473 -4.090 1.00 0.00 C ATOM 341 O ARG A 21 1.179 -17.618 -3.812 1.00 0.00 O ATOM 342 CB ARG A 21 3.406 -15.517 -2.721 1.00 0.00 C ATOM 343 CG ARG A 21 3.982 -14.177 -2.287 1.00 0.00 C ATOM 344 CD ARG A 21 5.485 -14.114 -2.512 1.00 0.00 C ATOM 345 NE ARG A 21 6.237 -14.310 -1.272 1.00 0.00 N ATOM 346 CZ ARG A 21 7.570 -14.341 -1.202 1.00 0.00 C ATOM 347 NH1 ARG A 21 8.307 -14.208 -2.301 1.00 0.00 N ATOM 348 NH2 ARG A 21 8.168 -14.510 -0.028 1.00 0.00 N ATOM 0 H ARG A 21 1.725 -16.151 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 21 1.622 -14.479 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.613 -16.259 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.917 -15.847 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.496 -13.375 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.764 -14.011 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.775 -14.876 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.746 -13.148 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 21 5.710 -14.430 -0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.854 -14.081 -3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.325 -14.233 -2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.609 -14.616 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.186 -14.534 0.027 1.00 0.00 H new ATOM 362 N PRO A 22 1.625 -16.043 -5.367 1.00 0.00 N ATOM 363 CA PRO A 22 2.047 -14.686 -5.739 1.00 0.00 C ATOM 364 C PRO A 22 0.959 -13.646 -5.471 1.00 0.00 C ATOM 365 O PRO A 22 -0.172 -13.784 -5.938 1.00 0.00 O ATOM 366 CB PRO A 22 2.327 -14.788 -7.249 1.00 0.00 C ATOM 367 CG PRO A 22 2.215 -16.239 -7.591 1.00 0.00 C ATOM 368 CD PRO A 22 1.322 -16.850 -6.550 1.00 0.00 C ATOM 0 HA PRO A 22 2.908 -14.359 -5.156 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.611 -14.196 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.319 -14.406 -7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.797 -16.372 -8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.195 -16.715 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.270 -16.785 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.545 -17.905 -6.391 1.00 0.00 H new ATOM 376 N VAL A 23 1.312 -12.607 -4.715 1.00 0.00 N ATOM 377 CA VAL A 23 0.368 -11.542 -4.381 1.00 0.00 C ATOM 378 C VAL A 23 0.105 -10.642 -5.590 1.00 0.00 C ATOM 379 O VAL A 23 1.036 -10.203 -6.266 1.00 0.00 O ATOM 380 CB VAL A 23 0.873 -10.690 -3.192 1.00 0.00 C ATOM 381 CG1 VAL A 23 2.170 -9.971 -3.543 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.191 -9.696 -2.748 1.00 0.00 C ATOM 0 H VAL A 23 2.245 -12.480 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.566 -12.021 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 23 1.078 -11.365 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.501 -9.380 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.936 -10.704 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.002 -9.313 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.187 -9.108 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.437 -9.032 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.086 -10.235 -2.438 1.00 0.00 H new ATOM 392 N LYS A 24 -1.174 -10.378 -5.858 1.00 0.00 N ATOM 393 CA LYS A 24 -1.565 -9.537 -6.986 1.00 0.00 C ATOM 394 C LYS A 24 -1.817 -8.100 -6.540 1.00 0.00 C ATOM 395 O LYS A 24 -2.595 -7.856 -5.616 1.00 0.00 O ATOM 396 CB LYS A 24 -2.820 -10.102 -7.658 1.00 0.00 C ATOM 397 CG LYS A 24 -2.583 -10.613 -9.071 1.00 0.00 C ATOM 398 CD LYS A 24 -3.458 -11.820 -9.381 1.00 0.00 C ATOM 399 CE LYS A 24 -3.896 -11.839 -10.839 1.00 0.00 C ATOM 400 NZ LYS A 24 -4.984 -10.858 -11.113 1.00 0.00 N ATOM 0 H LYS A 24 -1.956 -10.735 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.744 -9.534 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.212 -10.916 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.586 -9.327 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.791 -9.818 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.534 -10.882 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.910 -12.734 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.337 -11.807 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.040 -11.617 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.238 -12.840 -11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.273 -10.930 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.799 -11.063 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.640 -9.895 -10.921 1.00 0.00 H new ATOM 414 N TYR A 25 -1.158 -7.152 -7.210 1.00 0.00 N ATOM 415 CA TYR A 25 -1.309 -5.729 -6.898 1.00 0.00 C ATOM 416 C TYR A 25 -2.782 -5.313 -6.924 1.00 0.00 C ATOM 417 O TYR A 25 -3.246 -4.594 -6.039 1.00 0.00 O ATOM 418 CB TYR A 25 -0.504 -4.886 -7.897 1.00 0.00 C ATOM 419 CG TYR A 25 -0.563 -3.392 -7.645 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.337 -2.777 -6.782 1.00 0.00 C ATOM 421 CD2 TYR A 25 -1.509 -2.599 -8.283 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.292 -1.413 -6.561 1.00 0.00 C ATOM 423 CE2 TYR A 25 -1.560 -1.234 -8.065 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.658 -0.649 -7.204 1.00 0.00 C ATOM 425 OH TYR A 25 -0.706 0.711 -6.987 1.00 0.00 O ATOM 0 H TYR A 25 -0.512 -7.345 -7.975 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.927 -5.557 -5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.537 -5.206 -7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.872 -5.087 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.082 -3.374 -6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.216 -3.056 -8.960 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.998 -0.949 -5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.302 -0.631 -8.567 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.432 1.101 -7.517 1.00 0.00 H new ATOM 435 N GLU A 26 -3.509 -5.780 -7.942 1.00 0.00 N ATOM 436 CA GLU A 26 -4.931 -5.466 -8.087 1.00 0.00 C ATOM 437 C GLU A 26 -5.733 -5.980 -6.890 1.00 0.00 C ATOM 438 O GLU A 26 -6.659 -5.314 -6.426 1.00 0.00 O ATOM 439 CB GLU A 26 -5.487 -6.076 -9.377 1.00 0.00 C ATOM 440 CG GLU A 26 -4.773 -5.611 -10.637 1.00 0.00 C ATOM 441 CD GLU A 26 -5.693 -4.878 -11.594 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.628 -5.516 -12.126 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.480 -3.668 -11.813 1.00 0.00 O ATOM 0 H GLU A 26 -3.135 -6.378 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.027 -4.381 -8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.419 -7.162 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.545 -5.827 -9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.947 -4.956 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.341 -6.474 -11.144 1.00 0.00 H new ATOM 450 N ASP A 27 -5.372 -7.165 -6.399 1.00 0.00 N ATOM 451 CA ASP A 27 -6.059 -7.763 -5.259 1.00 0.00 C ATOM 452 C ASP A 27 -5.776 -6.985 -3.976 1.00 0.00 C ATOM 453 O ASP A 27 -6.687 -6.716 -3.191 1.00 0.00 O ATOM 454 CB ASP A 27 -5.643 -9.227 -5.086 1.00 0.00 C ATOM 455 CG ASP A 27 -6.723 -10.058 -4.419 1.00 0.00 C ATOM 456 OD1 ASP A 27 -7.825 -10.174 -4.997 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.469 -10.589 -3.319 1.00 0.00 O ATOM 0 H ASP A 27 -4.608 -7.728 -6.774 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.130 -7.721 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.410 -9.654 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.731 -9.275 -4.491 1.00 0.00 H new ATOM 462 N VAL A 28 -4.509 -6.620 -3.767 1.00 0.00 N ATOM 463 CA VAL A 28 -4.117 -5.868 -2.574 1.00 0.00 C ATOM 464 C VAL A 28 -4.782 -4.493 -2.550 1.00 0.00 C ATOM 465 O VAL A 28 -5.335 -4.082 -1.529 1.00 0.00 O ATOM 466 CB VAL A 28 -2.584 -5.691 -2.481 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.192 -5.072 -1.144 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.871 -7.021 -2.686 1.00 0.00 C ATOM 0 H VAL A 28 -3.741 -6.832 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.452 -6.450 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.274 -5.013 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.109 -4.957 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.665 -4.095 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.521 -5.721 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.794 -6.871 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.190 -7.727 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.119 -7.419 -3.670 1.00 0.00 H new ATOM 478 N GLU A 29 -4.727 -3.787 -3.681 1.00 0.00 N ATOM 479 CA GLU A 29 -5.327 -2.459 -3.787 1.00 0.00 C ATOM 480 C GLU A 29 -6.845 -2.523 -3.614 1.00 0.00 C ATOM 481 O GLU A 29 -7.441 -1.626 -3.019 1.00 0.00 O ATOM 482 CB GLU A 29 -4.969 -1.807 -5.129 1.00 0.00 C ATOM 483 CG GLU A 29 -5.622 -2.469 -6.334 1.00 0.00 C ATOM 484 CD GLU A 29 -5.427 -1.680 -7.615 1.00 0.00 C ATOM 485 OE1 GLU A 29 -6.067 -0.617 -7.761 1.00 0.00 O ATOM 486 OE2 GLU A 29 -4.640 -2.128 -8.474 1.00 0.00 O ATOM 0 H GLU A 29 -4.273 -4.113 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.920 -1.845 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.262 -0.758 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.887 -1.832 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.208 -3.469 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.689 -2.587 -6.144 1.00 0.00 H new ATOM 493 N HIS A 30 -7.464 -3.585 -4.133 1.00 0.00 N ATOM 494 CA HIS A 30 -8.913 -3.754 -4.025 1.00 0.00 C ATOM 495 C HIS A 30 -9.362 -3.728 -2.563 1.00 0.00 C ATOM 496 O HIS A 30 -10.342 -3.065 -2.220 1.00 0.00 O ATOM 497 CB HIS A 30 -9.353 -5.064 -4.685 1.00 0.00 C ATOM 498 CG HIS A 30 -10.356 -4.872 -5.781 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.705 -4.708 -5.546 1.00 0.00 N ATOM 500 CD2 HIS A 30 -10.199 -4.813 -7.125 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.335 -4.559 -6.698 1.00 0.00 C ATOM 502 NE2 HIS A 30 -11.442 -4.617 -7.670 1.00 0.00 N ATOM 0 H HIS A 30 -6.987 -4.337 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.385 -2.921 -4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.477 -5.570 -5.090 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.778 -5.720 -3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.269 -4.903 -7.666 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.398 -4.415 -6.823 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.645 -4.530 -8.666 1.00 0.00 H new ATOM 511 N LYS A 31 -8.638 -4.448 -1.706 1.00 0.00 N ATOM 512 CA LYS A 31 -8.964 -4.500 -0.285 1.00 0.00 C ATOM 513 C LYS A 31 -8.701 -3.157 0.395 1.00 0.00 C ATOM 514 O LYS A 31 -9.554 -2.647 1.120 1.00 0.00 O ATOM 515 CB LYS A 31 -8.157 -5.602 0.411 1.00 0.00 C ATOM 516 CG LYS A 31 -8.847 -6.175 1.639 1.00 0.00 C ATOM 517 CD LYS A 31 -7.869 -6.404 2.783 1.00 0.00 C ATOM 518 CE LYS A 31 -8.344 -5.732 4.063 1.00 0.00 C ATOM 519 NZ LYS A 31 -8.044 -6.549 5.273 1.00 0.00 N ATOM 0 H LYS A 31 -7.824 -5.002 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.027 -4.726 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.969 -6.407 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.186 -5.201 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.634 -5.494 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.329 -7.118 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.751 -7.474 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.888 -6.015 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.867 -4.757 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.418 -5.557 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.963 -5.926 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.811 -7.234 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.148 -7.059 5.134 1.00 0.00 H new ATOM 533 N VAL A 32 -7.517 -2.590 0.160 1.00 0.00 N ATOM 534 CA VAL A 32 -7.151 -1.306 0.760 1.00 0.00 C ATOM 535 C VAL A 32 -8.079 -0.183 0.293 1.00 0.00 C ATOM 536 O VAL A 32 -8.465 0.676 1.086 1.00 0.00 O ATOM 537 CB VAL A 32 -5.686 -0.921 0.456 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.318 0.389 1.143 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.740 -2.034 0.884 1.00 0.00 C ATOM 0 H VAL A 32 -6.798 -2.997 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.259 -1.431 1.837 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.587 -0.781 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.282 0.641 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.972 1.184 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.436 0.280 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.713 -1.744 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.844 -2.208 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.984 -2.948 0.342 1.00 0.00 H new ATOM 549 N THR A 33 -8.431 -0.187 -0.993 1.00 0.00 N ATOM 550 CA THR A 33 -9.312 0.838 -1.550 1.00 0.00 C ATOM 551 C THR A 33 -10.683 0.824 -0.866 1.00 0.00 C ATOM 552 O THR A 33 -11.193 1.870 -0.479 1.00 0.00 O ATOM 553 CB THR A 33 -9.469 0.649 -3.066 1.00 0.00 C ATOM 554 OG1 THR A 33 -8.222 0.806 -3.719 1.00 0.00 O ATOM 555 CG2 THR A 33 -10.435 1.625 -3.706 1.00 0.00 C ATOM 0 H THR A 33 -8.120 -0.887 -1.667 1.00 0.00 H new ATOM 0 HA THR A 33 -8.853 1.809 -1.364 1.00 0.00 H new ATOM 0 HB THR A 33 -9.865 -0.359 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.792 -0.069 -3.819 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.493 1.430 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.423 1.504 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.085 2.644 -3.541 1.00 0.00 H new ATOM 563 N THR A 34 -11.277 -0.362 -0.717 1.00 0.00 N ATOM 564 CA THR A 34 -12.590 -0.480 -0.075 1.00 0.00 C ATOM 565 C THR A 34 -12.505 -0.262 1.439 1.00 0.00 C ATOM 566 O THR A 34 -13.340 0.435 2.015 1.00 0.00 O ATOM 567 CB THR A 34 -13.224 -1.846 -0.376 1.00 0.00 C ATOM 568 OG1 THR A 34 -13.162 -2.138 -1.763 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.677 -1.940 0.049 1.00 0.00 C ATOM 0 H THR A 34 -10.876 -1.247 -1.028 1.00 0.00 H new ATOM 0 HA THR A 34 -13.223 0.304 -0.492 1.00 0.00 H new ATOM 0 HB THR A 34 -12.644 -2.565 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.266 -2.464 -1.989 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.063 -2.930 -0.192 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.753 -1.773 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.260 -1.185 -0.478 1.00 0.00 H new ATOM 577 N VAL A 35 -11.507 -0.872 2.078 1.00 0.00 N ATOM 578 CA VAL A 35 -11.338 -0.748 3.528 1.00 0.00 C ATOM 579 C VAL A 35 -10.961 0.677 3.942 1.00 0.00 C ATOM 580 O VAL A 35 -11.498 1.205 4.914 1.00 0.00 O ATOM 581 CB VAL A 35 -10.272 -1.729 4.065 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.103 -1.573 5.572 1.00 0.00 C ATOM 583 CG2 VAL A 35 -10.631 -3.166 3.712 1.00 0.00 C ATOM 0 H VAL A 35 -10.806 -1.454 1.619 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.305 -0.997 3.966 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.322 -1.488 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.348 -2.274 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.789 -0.554 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.052 -1.779 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.866 -3.838 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.595 -3.419 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.690 -3.271 2.629 1.00 0.00 H new ATOM 593 N PHE A 36 -10.021 1.284 3.216 1.00 0.00 N ATOM 594 CA PHE A 36 -9.564 2.638 3.534 1.00 0.00 C ATOM 595 C PHE A 36 -10.203 3.707 2.634 1.00 0.00 C ATOM 596 O PHE A 36 -9.820 4.878 2.701 1.00 0.00 O ATOM 597 CB PHE A 36 -8.036 2.710 3.429 1.00 0.00 C ATOM 598 CG PHE A 36 -7.323 1.721 4.312 1.00 0.00 C ATOM 599 CD1 PHE A 36 -7.346 0.365 4.023 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.632 2.150 5.432 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.695 -0.541 4.834 1.00 0.00 C ATOM 602 CE2 PHE A 36 -5.980 1.247 6.248 1.00 0.00 C ATOM 603 CZ PHE A 36 -6.012 -0.100 5.950 1.00 0.00 C ATOM 0 H PHE A 36 -9.563 0.862 2.408 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.879 2.852 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.743 2.537 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.710 3.717 3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.880 0.014 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.603 3.203 5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.719 -1.594 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.445 1.595 7.119 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.504 -0.808 6.588 1.00 0.00 H new ATOM 613 N GLY A 37 -11.174 3.315 1.800 1.00 0.00 N ATOM 614 CA GLY A 37 -11.825 4.275 0.921 1.00 0.00 C ATOM 615 C GLY A 37 -10.939 4.714 -0.235 1.00 0.00 C ATOM 616 O GLY A 37 -9.757 4.374 -0.283 1.00 0.00 O ATOM 0 H GLY A 37 -11.516 2.357 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.740 3.835 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.118 5.150 1.501 1.00 0.00 H new ATOM 620 N GLN A 38 -11.511 5.475 -1.168 1.00 0.00 N ATOM 621 CA GLN A 38 -10.762 5.963 -2.326 1.00 0.00 C ATOM 622 C GLN A 38 -11.051 7.443 -2.581 1.00 0.00 C ATOM 623 O GLN A 38 -12.108 7.950 -2.197 1.00 0.00 O ATOM 624 CB GLN A 38 -11.093 5.133 -3.576 1.00 0.00 C ATOM 625 CG GLN A 38 -12.578 5.053 -3.906 1.00 0.00 C ATOM 626 CD GLN A 38 -12.828 4.830 -5.387 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.642 5.735 -6.202 1.00 0.00 O ATOM 628 NE2 GLN A 38 -13.249 3.621 -5.747 1.00 0.00 N ATOM 0 H GLN A 38 -12.488 5.766 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.700 5.854 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.566 5.560 -4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.709 4.122 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.031 4.241 -3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.068 5.975 -3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.391 2.899 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.430 3.416 -6.730 1.00 0.00 H new ATOM 637 N PRO A 39 -10.110 8.164 -3.226 1.00 0.00 N ATOM 638 CA PRO A 39 -8.842 7.602 -3.700 1.00 0.00 C ATOM 639 C PRO A 39 -7.729 7.643 -2.648 1.00 0.00 C ATOM 640 O PRO A 39 -7.730 8.496 -1.756 1.00 0.00 O ATOM 641 CB PRO A 39 -8.503 8.516 -4.873 1.00 0.00 C ATOM 642 CG PRO A 39 -9.049 9.851 -4.482 1.00 0.00 C ATOM 643 CD PRO A 39 -10.218 9.598 -3.556 1.00 0.00 C ATOM 0 HA PRO A 39 -8.930 6.545 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.427 8.562 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.956 8.158 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.286 10.449 -3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.368 10.410 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.160 10.219 -2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.167 9.825 -4.041 1.00 0.00 H new ATOM 651 N LEU A 40 -6.776 6.715 -2.769 1.00 0.00 N ATOM 652 CA LEU A 40 -5.646 6.634 -1.841 1.00 0.00 C ATOM 653 C LEU A 40 -4.314 6.691 -2.590 1.00 0.00 C ATOM 654 O LEU A 40 -4.253 6.422 -3.793 1.00 0.00 O ATOM 655 CB LEU A 40 -5.713 5.337 -1.030 1.00 0.00 C ATOM 656 CG LEU A 40 -6.669 5.355 0.162 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.066 3.936 0.539 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.036 6.064 1.350 1.00 0.00 C ATOM 0 H LEU A 40 -6.765 6.007 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.709 7.489 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.007 4.527 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.712 5.104 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.566 5.905 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.747 3.963 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.561 3.460 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.175 3.368 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.734 6.065 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.123 5.544 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.797 7.091 1.075 1.00 0.00 H new ATOM 670 N ASP A 41 -3.245 7.030 -1.867 1.00 0.00 N ATOM 671 CA ASP A 41 -1.910 7.109 -2.454 1.00 0.00 C ATOM 672 C ASP A 41 -1.015 5.996 -1.910 1.00 0.00 C ATOM 673 O ASP A 41 -0.875 5.843 -0.695 1.00 0.00 O ATOM 674 CB ASP A 41 -1.276 8.473 -2.169 1.00 0.00 C ATOM 675 CG ASP A 41 -0.449 8.985 -3.334 1.00 0.00 C ATOM 676 OD1 ASP A 41 -1.012 9.155 -4.436 1.00 0.00 O ATOM 677 OD2 ASP A 41 0.764 9.215 -3.144 1.00 0.00 O ATOM 0 H ASP A 41 -3.280 7.254 -0.873 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.008 6.985 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.061 9.194 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.644 8.398 -1.284 1.00 0.00 H new ATOM 682 N LEU A 42 -0.415 5.223 -2.814 1.00 0.00 N ATOM 683 CA LEU A 42 0.464 4.122 -2.422 1.00 0.00 C ATOM 684 C LEU A 42 1.912 4.600 -2.298 1.00 0.00 C ATOM 685 O LEU A 42 2.639 4.675 -3.292 1.00 0.00 O ATOM 686 CB LEU A 42 0.372 2.974 -3.437 1.00 0.00 C ATOM 687 CG LEU A 42 -1.019 2.356 -3.603 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.835 3.130 -4.629 1.00 0.00 C ATOM 689 CD2 LEU A 42 -0.907 0.890 -4.002 1.00 0.00 C ATOM 0 H LEU A 42 -0.521 5.338 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 42 0.136 3.758 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.706 3.341 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.066 2.189 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.535 2.414 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.819 2.673 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.947 4.163 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.324 3.108 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.905 0.467 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.369 0.810 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.367 0.343 -3.229 1.00 0.00 H new ATOM 701 N HIS A 43 2.323 4.925 -1.071 1.00 0.00 N ATOM 702 CA HIS A 43 3.682 5.398 -0.813 1.00 0.00 C ATOM 703 C HIS A 43 4.454 4.415 0.068 1.00 0.00 C ATOM 704 O HIS A 43 4.024 4.093 1.177 1.00 0.00 O ATOM 705 CB HIS A 43 3.642 6.781 -0.152 1.00 0.00 C ATOM 706 CG HIS A 43 4.952 7.508 -0.185 1.00 0.00 C ATOM 707 ND1 HIS A 43 5.976 7.190 -1.057 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.406 8.548 0.557 1.00 0.00 C ATOM 709 CE1 HIS A 43 6.996 8.000 -0.850 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.677 8.833 0.123 1.00 0.00 N ATOM 0 H HIS A 43 1.733 4.869 -0.241 1.00 0.00 H new ATOM 0 HA HIS A 43 4.201 5.472 -1.769 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.887 7.389 -0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.326 6.668 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.868 9.057 1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.934 7.984 -1.386 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.278 9.570 0.493 1.00 0.00 H new ATOM 719 N TYR A 44 5.596 3.943 -0.432 1.00 0.00 N ATOM 720 CA TYR A 44 6.427 3.001 0.307 1.00 0.00 C ATOM 721 C TYR A 44 7.672 3.695 0.856 1.00 0.00 C ATOM 722 O TYR A 44 8.391 4.377 0.120 1.00 0.00 O ATOM 723 CB TYR A 44 6.824 1.831 -0.602 1.00 0.00 C ATOM 724 CG TYR A 44 7.896 0.929 -0.029 1.00 0.00 C ATOM 725 CD1 TYR A 44 9.237 1.291 -0.090 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.570 -0.284 0.563 1.00 0.00 C ATOM 727 CE1 TYR A 44 10.221 0.471 0.425 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.548 -1.110 1.082 1.00 0.00 C ATOM 729 CZ TYR A 44 9.873 -0.729 1.011 1.00 0.00 C ATOM 730 OH TYR A 44 10.851 -1.548 1.525 1.00 0.00 O ATOM 0 H TYR A 44 5.965 4.200 -1.348 1.00 0.00 H new ATOM 0 HA TYR A 44 5.853 2.616 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.937 1.233 -0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.173 2.229 -1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.513 2.229 -0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.535 -0.587 0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.258 0.767 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.277 -2.049 1.541 1.00 0.00 H new ATOM 0 HH TYR A 44 10.439 -2.353 1.902 1.00 0.00 H new ATOM 740 N MET A 45 7.922 3.513 2.150 1.00 0.00 N ATOM 741 CA MET A 45 9.081 4.113 2.807 1.00 0.00 C ATOM 742 C MET A 45 9.835 3.071 3.631 1.00 0.00 C ATOM 743 O MET A 45 9.273 2.464 4.545 1.00 0.00 O ATOM 744 CB MET A 45 8.649 5.286 3.697 1.00 0.00 C ATOM 745 CG MET A 45 7.595 4.922 4.734 1.00 0.00 C ATOM 746 SD MET A 45 8.261 4.840 6.407 1.00 0.00 S ATOM 747 CE MET A 45 7.006 3.859 7.225 1.00 0.00 C ATOM 0 H MET A 45 7.335 2.952 2.767 1.00 0.00 H new ATOM 0 HA MET A 45 9.751 4.492 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.526 5.682 4.209 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.261 6.085 3.065 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.792 5.658 4.703 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.155 3.959 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.277 3.721 8.272 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.046 4.372 7.163 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.930 2.886 6.739 1.00 0.00 H new ATOM 757 N ASN A 46 11.109 2.868 3.302 1.00 0.00 N ATOM 758 CA ASN A 46 11.938 1.898 4.012 1.00 0.00 C ATOM 759 C ASN A 46 12.550 2.521 5.269 1.00 0.00 C ATOM 760 O ASN A 46 12.189 2.155 6.388 1.00 0.00 O ATOM 761 CB ASN A 46 13.036 1.358 3.091 1.00 0.00 C ATOM 762 CG ASN A 46 13.523 -0.017 3.510 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.842 -0.245 4.676 1.00 0.00 O ATOM 764 ND2 ASN A 46 13.582 -0.944 2.559 1.00 0.00 N ATOM 0 H ASN A 46 11.589 3.362 2.549 1.00 0.00 H new ATOM 0 HA ASN A 46 11.303 1.067 4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.658 1.310 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.877 2.052 3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.901 -1.886 2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.308 -0.713 1.604 1.00 0.00 H new ATOM 771 N ASN A 47 13.471 3.466 5.076 1.00 0.00 N ATOM 772 CA ASN A 47 14.124 4.146 6.192 1.00 0.00 C ATOM 773 C ASN A 47 14.492 5.576 5.802 1.00 0.00 C ATOM 774 O ASN A 47 13.839 6.529 6.225 1.00 0.00 O ATOM 775 CB ASN A 47 15.377 3.378 6.636 1.00 0.00 C ATOM 776 CG ASN A 47 15.151 2.562 7.899 1.00 0.00 C ATOM 777 OD1 ASN A 47 14.042 2.505 8.430 1.00 0.00 O ATOM 778 ND2 ASN A 47 16.208 1.926 8.394 1.00 0.00 N ATOM 0 H ASN A 47 13.781 3.777 4.155 1.00 0.00 H new ATOM 0 HA ASN A 47 13.425 4.180 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.695 2.714 5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.190 4.084 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.116 1.367 9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.111 1.997 7.926 1.00 0.00 H new ATOM 785 N GLU A 48 15.537 5.713 4.986 1.00 0.00 N ATOM 786 CA GLU A 48 15.992 7.022 4.526 1.00 0.00 C ATOM 787 C GLU A 48 15.708 7.221 3.029 1.00 0.00 C ATOM 788 O GLU A 48 16.100 8.235 2.450 1.00 0.00 O ATOM 789 CB GLU A 48 17.492 7.183 4.799 1.00 0.00 C ATOM 790 CG GLU A 48 17.830 7.343 6.276 1.00 0.00 C ATOM 791 CD GLU A 48 18.792 6.284 6.784 1.00 0.00 C ATOM 792 OE1 GLU A 48 19.800 6.010 6.096 1.00 0.00 O ATOM 793 OE2 GLU A 48 18.538 5.726 7.873 1.00 0.00 O ATOM 0 H GLU A 48 16.085 4.930 4.630 1.00 0.00 H new ATOM 0 HA GLU A 48 15.439 7.782 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.019 6.314 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.861 8.052 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.265 8.329 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.911 7.300 6.860 1.00 0.00 H new ATOM 800 N LEU A 49 15.025 6.254 2.405 1.00 0.00 N ATOM 801 CA LEU A 49 14.703 6.342 0.983 1.00 0.00 C ATOM 802 C LEU A 49 13.221 6.067 0.732 1.00 0.00 C ATOM 803 O LEU A 49 12.629 5.182 1.354 1.00 0.00 O ATOM 804 CB LEU A 49 15.565 5.364 0.177 1.00 0.00 C ATOM 805 CG LEU A 49 15.350 3.880 0.497 1.00 0.00 C ATOM 806 CD1 LEU A 49 15.387 3.049 -0.780 1.00 0.00 C ATOM 807 CD2 LEU A 49 16.398 3.388 1.486 1.00 0.00 C ATOM 0 H LEU A 49 14.688 5.407 2.863 1.00 0.00 H new ATOM 0 HA LEU A 49 14.919 7.359 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.368 5.522 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.614 5.606 0.346 1.00 0.00 H new ATOM 0 HG LEU A 49 14.367 3.765 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.233 1.998 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.599 3.384 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.356 3.170 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.229 2.333 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.392 3.516 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.325 3.962 2.409 1.00 0.00 H new ATOM 819 N SER A 50 12.631 6.836 -0.184 1.00 0.00 N ATOM 820 CA SER A 50 11.217 6.683 -0.525 1.00 0.00 C ATOM 821 C SER A 50 11.057 6.226 -1.974 1.00 0.00 C ATOM 822 O SER A 50 11.620 6.831 -2.889 1.00 0.00 O ATOM 823 CB SER A 50 10.467 8.004 -0.310 1.00 0.00 C ATOM 824 OG SER A 50 11.129 8.827 0.637 1.00 0.00 O ATOM 0 H SER A 50 13.111 7.571 -0.703 1.00 0.00 H new ATOM 0 HA SER A 50 10.792 5.923 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.382 8.534 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.453 7.797 0.032 1.00 0.00 H new ATOM 0 HG SER A 50 10.629 9.662 0.751 1.00 0.00 H new ATOM 830 N ILE A 51 10.288 5.155 -2.173 1.00 0.00 N ATOM 831 CA ILE A 51 10.051 4.614 -3.509 1.00 0.00 C ATOM 832 C ILE A 51 8.555 4.440 -3.771 1.00 0.00 C ATOM 833 O ILE A 51 7.821 3.932 -2.921 1.00 0.00 O ATOM 834 CB ILE A 51 10.767 3.257 -3.710 1.00 0.00 C ATOM 835 CG1 ILE A 51 12.236 3.352 -3.276 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.670 2.812 -5.164 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.872 2.009 -2.985 1.00 0.00 C ATOM 0 H ILE A 51 9.819 4.645 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 51 10.460 5.332 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 51 10.271 2.513 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.806 3.852 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.303 3.977 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.179 1.856 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.622 2.703 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.140 3.558 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.909 2.155 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.327 1.515 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.838 1.389 -3.881 1.00 0.00 H new ATOM 849 N LEU A 52 8.111 4.874 -4.950 1.00 0.00 N ATOM 850 CA LEU A 52 6.703 4.773 -5.329 1.00 0.00 C ATOM 851 C LEU A 52 6.441 3.493 -6.119 1.00 0.00 C ATOM 852 O LEU A 52 7.176 3.173 -7.053 1.00 0.00 O ATOM 853 CB LEU A 52 6.294 5.993 -6.162 1.00 0.00 C ATOM 854 CG LEU A 52 6.389 7.339 -5.440 1.00 0.00 C ATOM 855 CD1 LEU A 52 6.369 8.485 -6.442 1.00 0.00 C ATOM 856 CD2 LEU A 52 5.254 7.483 -4.435 1.00 0.00 C ATOM 0 H LEU A 52 8.707 5.299 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 52 6.106 4.743 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.922 6.032 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.268 5.853 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 52 7.334 7.376 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.437 9.434 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.215 8.388 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.440 8.454 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.335 8.445 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.298 7.426 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.315 6.681 -3.700 1.00 0.00 H new ATOM 868 N LEU A 53 5.384 2.769 -5.744 1.00 0.00 N ATOM 869 CA LEU A 53 5.025 1.525 -6.427 1.00 0.00 C ATOM 870 C LEU A 53 3.594 1.581 -6.966 1.00 0.00 C ATOM 871 O LEU A 53 2.646 1.165 -6.296 1.00 0.00 O ATOM 872 CB LEU A 53 5.202 0.316 -5.495 1.00 0.00 C ATOM 873 CG LEU A 53 4.543 0.434 -4.114 1.00 0.00 C ATOM 874 CD1 LEU A 53 3.359 -0.515 -3.996 1.00 0.00 C ATOM 875 CD2 LEU A 53 5.559 0.154 -3.017 1.00 0.00 C ATOM 0 H LEU A 53 4.764 3.022 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 53 5.701 1.408 -7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.800 -0.565 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.269 0.143 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 53 4.175 1.453 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.908 -0.413 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.620 -0.271 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.700 -1.541 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.077 0.242 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.955 -0.855 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.374 0.874 -3.084 1.00 0.00 H new ATOM 887 N LYS A 54 3.448 2.090 -8.190 1.00 0.00 N ATOM 888 CA LYS A 54 2.137 2.191 -8.830 1.00 0.00 C ATOM 889 C LYS A 54 1.851 0.958 -9.690 1.00 0.00 C ATOM 890 O LYS A 54 0.699 0.537 -9.819 1.00 0.00 O ATOM 891 CB LYS A 54 2.041 3.463 -9.680 1.00 0.00 C ATOM 892 CG LYS A 54 3.017 3.509 -10.848 1.00 0.00 C ATOM 893 CD LYS A 54 3.561 4.914 -11.072 1.00 0.00 C ATOM 894 CE LYS A 54 4.523 5.324 -9.964 1.00 0.00 C ATOM 895 NZ LYS A 54 5.676 6.110 -10.487 1.00 0.00 N ATOM 0 H LYS A 54 4.221 2.438 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 54 1.386 2.243 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.026 3.553 -10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.216 4.328 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.844 2.824 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.518 3.163 -11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.072 4.958 -12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.734 5.622 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.989 5.916 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.892 4.433 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.305 6.368 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.202 5.537 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.326 6.974 -10.949 1.00 0.00 H new ATOM 909 N ASN A 55 2.905 0.383 -10.275 1.00 0.00 N ATOM 910 CA ASN A 55 2.771 -0.803 -11.121 1.00 0.00 C ATOM 911 C ASN A 55 3.162 -2.067 -10.357 1.00 0.00 C ATOM 912 O ASN A 55 3.764 -1.995 -9.283 1.00 0.00 O ATOM 913 CB ASN A 55 3.642 -0.664 -12.376 1.00 0.00 C ATOM 914 CG ASN A 55 2.921 0.029 -13.520 1.00 0.00 C ATOM 915 OD1 ASN A 55 1.860 0.625 -13.332 1.00 0.00 O ATOM 916 ND2 ASN A 55 3.497 -0.043 -14.715 1.00 0.00 N ATOM 0 H ASN A 55 3.862 0.721 -10.177 1.00 0.00 H new ATOM 0 HA ASN A 55 1.726 -0.887 -11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.543 -0.103 -12.127 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.963 -1.654 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.060 0.406 -15.520 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.377 -0.547 -14.828 1.00 0.00 H new ATOM 923 N GLN A 56 2.822 -3.227 -10.924 1.00 0.00 N ATOM 924 CA GLN A 56 3.144 -4.512 -10.304 1.00 0.00 C ATOM 925 C GLN A 56 4.656 -4.725 -10.237 1.00 0.00 C ATOM 926 O GLN A 56 5.156 -5.369 -9.315 1.00 0.00 O ATOM 927 CB GLN A 56 2.496 -5.665 -11.078 1.00 0.00 C ATOM 928 CG GLN A 56 1.710 -6.625 -10.198 1.00 0.00 C ATOM 929 CD GLN A 56 2.283 -8.031 -10.211 1.00 0.00 C ATOM 930 OE1 GLN A 56 2.393 -8.658 -11.264 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.648 -8.536 -9.038 1.00 0.00 N ATOM 0 H GLN A 56 2.324 -3.302 -11.811 1.00 0.00 H new ATOM 0 HA GLN A 56 2.747 -4.497 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.830 -5.253 -11.837 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.273 -6.220 -11.603 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.701 -6.250 -9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.674 -6.656 -10.535 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.540 -7.982 -8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.037 -9.478 -8.987 1.00 0.00 H new ATOM 940 N ASP A 57 5.377 -4.185 -11.224 1.00 0.00 N ATOM 941 CA ASP A 57 6.833 -4.319 -11.277 1.00 0.00 C ATOM 942 C ASP A 57 7.481 -3.780 -10.002 1.00 0.00 C ATOM 943 O ASP A 57 8.304 -4.458 -9.383 1.00 0.00 O ATOM 944 CB ASP A 57 7.396 -3.586 -12.500 1.00 0.00 C ATOM 945 CG ASP A 57 8.587 -4.301 -13.112 1.00 0.00 C ATOM 946 OD1 ASP A 57 8.486 -5.523 -13.357 1.00 0.00 O ATOM 947 OD2 ASP A 57 9.618 -3.640 -13.351 1.00 0.00 O ATOM 0 H ASP A 57 4.975 -3.652 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 57 7.068 -5.380 -11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.612 -3.485 -13.251 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.692 -2.578 -12.210 1.00 0.00 H new ATOM 952 N ASP A 58 7.104 -2.561 -9.613 1.00 0.00 N ATOM 953 CA ASP A 58 7.648 -1.936 -8.407 1.00 0.00 C ATOM 954 C ASP A 58 7.272 -2.739 -7.163 1.00 0.00 C ATOM 955 O ASP A 58 8.109 -2.986 -6.295 1.00 0.00 O ATOM 956 CB ASP A 58 7.140 -0.497 -8.267 1.00 0.00 C ATOM 957 CG ASP A 58 8.091 0.520 -8.869 1.00 0.00 C ATOM 958 OD1 ASP A 58 9.245 0.609 -8.399 1.00 0.00 O ATOM 959 OD2 ASP A 58 7.678 1.232 -9.810 1.00 0.00 O ATOM 0 H ASP A 58 6.425 -1.988 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 58 8.734 -1.920 -8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.167 -0.410 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.992 -0.269 -7.211 1.00 0.00 H new ATOM 964 N LEU A 59 6.004 -3.144 -7.090 1.00 0.00 N ATOM 965 CA LEU A 59 5.507 -3.925 -5.960 1.00 0.00 C ATOM 966 C LEU A 59 6.291 -5.228 -5.807 1.00 0.00 C ATOM 967 O LEU A 59 6.693 -5.591 -4.702 1.00 0.00 O ATOM 968 CB LEU A 59 4.019 -4.230 -6.147 1.00 0.00 C ATOM 969 CG LEU A 59 3.381 -5.062 -5.032 1.00 0.00 C ATOM 970 CD1 LEU A 59 2.792 -4.157 -3.960 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.318 -5.991 -5.601 1.00 0.00 C ATOM 0 H LEU A 59 5.302 -2.943 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 59 5.643 -3.336 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.479 -3.287 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.888 -4.757 -7.092 1.00 0.00 H new ATOM 0 HG LEU A 59 4.156 -5.674 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.343 -4.766 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.581 -3.539 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.029 -3.517 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.875 -6.575 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.543 -5.401 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.774 -6.664 -6.327 1.00 0.00 H new ATOM 983 N ASP A 60 6.505 -5.925 -6.924 1.00 0.00 N ATOM 984 CA ASP A 60 7.243 -7.186 -6.913 1.00 0.00 C ATOM 985 C ASP A 60 8.689 -6.970 -6.475 1.00 0.00 C ATOM 986 O ASP A 60 9.231 -7.749 -5.691 1.00 0.00 O ATOM 987 CB ASP A 60 7.209 -7.845 -8.296 1.00 0.00 C ATOM 988 CG ASP A 60 7.030 -9.349 -8.212 1.00 0.00 C ATOM 989 OD1 ASP A 60 5.905 -9.798 -7.901 1.00 0.00 O ATOM 990 OD2 ASP A 60 8.013 -10.078 -8.459 1.00 0.00 O ATOM 0 H ASP A 60 6.178 -5.637 -7.846 1.00 0.00 H new ATOM 0 HA ASP A 60 6.759 -7.848 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.395 -7.416 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.135 -7.620 -8.826 1.00 0.00 H new ATOM 995 N LYS A 61 9.306 -5.900 -6.980 1.00 0.00 N ATOM 996 CA LYS A 61 10.689 -5.577 -6.635 1.00 0.00 C ATOM 997 C LYS A 61 10.822 -5.297 -5.138 1.00 0.00 C ATOM 998 O LYS A 61 11.809 -5.685 -4.512 1.00 0.00 O ATOM 999 CB LYS A 61 11.166 -4.360 -7.433 1.00 0.00 C ATOM 1000 CG LYS A 61 12.592 -4.483 -7.942 1.00 0.00 C ATOM 1001 CD LYS A 61 13.602 -4.361 -6.811 1.00 0.00 C ATOM 1002 CE LYS A 61 14.995 -4.054 -7.338 1.00 0.00 C ATOM 1003 NZ LYS A 61 15.838 -3.349 -6.329 1.00 0.00 N ATOM 0 H LYS A 61 8.870 -5.244 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 61 11.311 -6.436 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.499 -4.209 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.089 -3.472 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.719 -5.443 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.782 -3.709 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.289 -3.573 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.624 -5.289 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.483 -4.983 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.915 -3.440 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.778 -3.161 -6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.387 -2.449 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.938 -3.945 -5.483 1.00 0.00 H new ATOM 1017 N ALA A 62 9.821 -4.621 -4.569 1.00 0.00 N ATOM 1018 CA ALA A 62 9.827 -4.287 -3.145 1.00 0.00 C ATOM 1019 C ALA A 62 9.825 -5.543 -2.274 1.00 0.00 C ATOM 1020 O ALA A 62 10.512 -5.596 -1.252 1.00 0.00 O ATOM 1021 CB ALA A 62 8.632 -3.407 -2.799 1.00 0.00 C ATOM 0 H ALA A 62 8.997 -4.295 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 62 10.745 -3.737 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.652 -3.168 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.679 -2.485 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.709 -3.937 -3.034 1.00 0.00 H new ATOM 1027 N ILE A 63 9.055 -6.554 -2.682 1.00 0.00 N ATOM 1028 CA ILE A 63 8.978 -7.809 -1.933 1.00 0.00 C ATOM 1029 C ILE A 63 10.334 -8.513 -1.909 1.00 0.00 C ATOM 1030 O ILE A 63 10.765 -9.010 -0.866 1.00 0.00 O ATOM 1031 CB ILE A 63 7.917 -8.768 -2.520 1.00 0.00 C ATOM 1032 CG1 ILE A 63 6.565 -8.058 -2.646 1.00 0.00 C ATOM 1033 CG2 ILE A 63 7.788 -10.012 -1.650 1.00 0.00 C ATOM 1034 CD1 ILE A 63 5.702 -8.587 -3.771 1.00 0.00 C ATOM 0 H ILE A 63 8.479 -6.528 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 63 8.683 -7.549 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 63 8.239 -9.074 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.023 -8.159 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.737 -6.993 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.037 -10.678 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.748 -10.527 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.487 -9.722 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.762 -8.036 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.224 -8.461 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.498 -9.645 -3.607 1.00 0.00 H new ATOM 1046 N ASP A 64 11.004 -8.547 -3.063 1.00 0.00 N ATOM 1047 CA ASP A 64 12.314 -9.186 -3.174 1.00 0.00 C ATOM 1048 C ASP A 64 13.304 -8.591 -2.171 1.00 0.00 C ATOM 1049 O ASP A 64 14.104 -9.315 -1.575 1.00 0.00 O ATOM 1050 CB ASP A 64 12.868 -9.041 -4.597 1.00 0.00 C ATOM 1051 CG ASP A 64 13.582 -10.292 -5.082 1.00 0.00 C ATOM 1052 OD1 ASP A 64 14.185 -11.001 -4.247 1.00 0.00 O ATOM 1053 OD2 ASP A 64 13.544 -10.558 -6.301 1.00 0.00 O ATOM 0 H ASP A 64 10.660 -8.139 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 64 12.185 -10.245 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.050 -8.808 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.559 -8.199 -4.629 1.00 0.00 H new ATOM 1058 N ILE A 65 13.242 -7.271 -1.988 1.00 0.00 N ATOM 1059 CA ILE A 65 14.133 -6.581 -1.055 1.00 0.00 C ATOM 1060 C ILE A 65 13.880 -7.040 0.382 1.00 0.00 C ATOM 1061 O ILE A 65 14.824 -7.314 1.125 1.00 0.00 O ATOM 1062 CB ILE A 65 13.976 -5.045 -1.134 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.123 -4.562 -2.581 1.00 0.00 C ATOM 1064 CG2 ILE A 65 14.998 -4.358 -0.237 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.345 -3.299 -2.880 1.00 0.00 C ATOM 0 H ILE A 65 12.585 -6.660 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 65 15.151 -6.839 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 65 12.977 -4.783 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.178 -4.387 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.790 -5.352 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.873 -3.277 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.849 -4.677 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.004 -4.628 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.496 -3.017 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.284 -3.474 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.694 -2.495 -2.232 1.00 0.00 H new ATOM 1077 N LEU A 66 12.604 -7.129 0.764 1.00 0.00 N ATOM 1078 CA LEU A 66 12.237 -7.563 2.111 1.00 0.00 C ATOM 1079 C LEU A 66 12.719 -8.989 2.368 1.00 0.00 C ATOM 1080 O LEU A 66 13.320 -9.270 3.405 1.00 0.00 O ATOM 1081 CB LEU A 66 10.720 -7.475 2.308 1.00 0.00 C ATOM 1082 CG LEU A 66 10.214 -7.928 3.685 1.00 0.00 C ATOM 1083 CD1 LEU A 66 9.144 -6.978 4.205 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.681 -9.352 3.621 1.00 0.00 C ATOM 0 H LEU A 66 11.812 -6.907 0.161 1.00 0.00 H new ATOM 0 HA LEU A 66 12.722 -6.899 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.407 -6.444 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.234 -8.080 1.543 1.00 0.00 H new ATOM 0 HG LEU A 66 11.054 -7.909 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.799 -7.318 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.561 -5.975 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.304 -6.960 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.328 -9.653 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.856 -9.400 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.477 -10.024 3.300 1.00 0.00 H new ATOM 1096 N ASP A 67 12.458 -9.885 1.412 1.00 0.00 N ATOM 1097 CA ASP A 67 12.871 -11.285 1.530 1.00 0.00 C ATOM 1098 C ASP A 67 14.388 -11.399 1.699 1.00 0.00 C ATOM 1099 O ASP A 67 14.872 -12.211 2.487 1.00 0.00 O ATOM 1100 CB ASP A 67 12.422 -12.083 0.299 1.00 0.00 C ATOM 1101 CG ASP A 67 11.033 -12.672 0.456 1.00 0.00 C ATOM 1102 OD1 ASP A 67 10.909 -13.752 1.074 1.00 0.00 O ATOM 1103 OD2 ASP A 67 10.067 -12.059 -0.045 1.00 0.00 O ATOM 0 H ASP A 67 11.963 -9.665 0.548 1.00 0.00 H new ATOM 0 HA ASP A 67 12.393 -11.700 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.440 -11.433 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.134 -12.887 0.113 1.00 0.00 H new ATOM 1108 N ARG A 68 15.132 -10.575 0.956 1.00 0.00 N ATOM 1109 CA ARG A 68 16.593 -10.578 1.025 1.00 0.00 C ATOM 1110 C ARG A 68 17.089 -10.061 2.378 1.00 0.00 C ATOM 1111 O ARG A 68 18.124 -10.505 2.877 1.00 0.00 O ATOM 1112 CB ARG A 68 17.182 -9.723 -0.101 1.00 0.00 C ATOM 1113 CG ARG A 68 18.034 -10.511 -1.083 1.00 0.00 C ATOM 1114 CD ARG A 68 18.997 -9.605 -1.838 1.00 0.00 C ATOM 1115 NE ARG A 68 20.335 -10.187 -1.939 1.00 0.00 N ATOM 1116 CZ ARG A 68 21.193 -10.277 -0.917 1.00 0.00 C ATOM 1117 NH1 ARG A 68 20.847 -9.851 0.296 1.00 0.00 N ATOM 1118 NH2 ARG A 68 22.400 -10.803 -1.108 1.00 0.00 N ATOM 0 H ARG A 68 14.745 -9.897 0.300 1.00 0.00 H new ATOM 0 HA ARG A 68 16.926 -11.609 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.368 -9.242 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.787 -8.929 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.597 -11.275 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.389 -11.029 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.608 -9.416 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.059 -8.641 -1.333 1.00 0.00 H new ATOM 0 HE ARG A 68 20.632 -10.547 -2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.921 -9.452 0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.508 -9.924 1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.670 -11.137 -2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.055 -10.872 -0.329 1.00 0.00 H new ATOM 1132 N SER A 69 16.351 -9.119 2.963 1.00 0.00 N ATOM 1133 CA SER A 69 16.722 -8.541 4.254 1.00 0.00 C ATOM 1134 C SER A 69 16.249 -9.420 5.409 1.00 0.00 C ATOM 1135 O SER A 69 15.052 -9.656 5.571 1.00 0.00 O ATOM 1136 CB SER A 69 16.135 -7.135 4.399 1.00 0.00 C ATOM 1137 OG SER A 69 16.551 -6.530 5.612 1.00 0.00 O ATOM 0 H SER A 69 15.493 -8.740 2.564 1.00 0.00 H new ATOM 0 HA SER A 69 17.810 -8.481 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.447 -6.519 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.047 -7.187 4.370 1.00 0.00 H new ATOM 0 HG SER A 69 16.299 -5.583 5.608 1.00 0.00 H new ATOM 1143 N SER A 70 17.196 -9.893 6.223 1.00 0.00 N ATOM 1144 CA SER A 70 16.869 -10.734 7.375 1.00 0.00 C ATOM 1145 C SER A 70 16.116 -9.934 8.439 1.00 0.00 C ATOM 1146 O SER A 70 15.232 -10.464 9.114 1.00 0.00 O ATOM 1147 CB SER A 70 18.140 -11.339 7.983 1.00 0.00 C ATOM 1148 OG SER A 70 19.245 -10.460 7.845 1.00 0.00 O ATOM 0 H SER A 70 18.192 -9.708 6.106 1.00 0.00 H new ATOM 0 HA SER A 70 16.226 -11.541 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.974 -11.555 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.364 -12.288 7.495 1.00 0.00 H new ATOM 0 HG SER A 70 20.041 -10.870 8.243 1.00 0.00 H new ATOM 1154 N SER A 71 16.475 -8.656 8.586 1.00 0.00 N ATOM 1155 CA SER A 71 15.837 -7.780 9.570 1.00 0.00 C ATOM 1156 C SER A 71 14.421 -7.393 9.138 1.00 0.00 C ATOM 1157 O SER A 71 13.522 -7.282 9.972 1.00 0.00 O ATOM 1158 CB SER A 71 16.677 -6.517 9.796 1.00 0.00 C ATOM 1159 OG SER A 71 17.400 -6.161 8.628 1.00 0.00 O ATOM 0 H SER A 71 17.205 -8.205 8.035 1.00 0.00 H new ATOM 0 HA SER A 71 15.769 -8.334 10.506 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.026 -5.693 10.088 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.372 -6.683 10.620 1.00 0.00 H new ATOM 0 HG SER A 71 17.925 -5.352 8.802 1.00 0.00 H new ATOM 1165 N MET A 72 14.228 -7.183 7.834 1.00 0.00 N ATOM 1166 CA MET A 72 12.918 -6.805 7.304 1.00 0.00 C ATOM 1167 C MET A 72 12.016 -8.027 7.142 1.00 0.00 C ATOM 1168 O MET A 72 12.239 -8.862 6.263 1.00 0.00 O ATOM 1169 CB MET A 72 13.068 -6.082 5.964 1.00 0.00 C ATOM 1170 CG MET A 72 12.228 -4.821 5.862 1.00 0.00 C ATOM 1171 SD MET A 72 11.612 -4.525 4.192 1.00 0.00 S ATOM 1172 CE MET A 72 10.152 -3.552 4.544 1.00 0.00 C ATOM 0 H MET A 72 14.960 -7.268 7.129 1.00 0.00 H new ATOM 0 HA MET A 72 12.452 -6.128 8.020 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.116 -5.824 5.814 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.788 -6.762 5.159 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.384 -4.896 6.548 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.824 -3.966 6.182 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.338 -3.869 3.892 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.861 -3.696 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.367 -2.498 4.370 1.00 0.00 H new ATOM 1182 N LYS A 73 10.998 -8.125 7.999 1.00 0.00 N ATOM 1183 CA LYS A 73 10.056 -9.247 7.955 1.00 0.00 C ATOM 1184 C LYS A 73 8.670 -8.808 7.464 1.00 0.00 C ATOM 1185 O LYS A 73 7.964 -9.586 6.819 1.00 0.00 O ATOM 1186 CB LYS A 73 9.941 -9.909 9.334 1.00 0.00 C ATOM 1187 CG LYS A 73 9.610 -8.948 10.468 1.00 0.00 C ATOM 1188 CD LYS A 73 8.337 -9.358 11.194 1.00 0.00 C ATOM 1189 CE LYS A 73 8.638 -10.205 12.423 1.00 0.00 C ATOM 1190 NZ LYS A 73 7.622 -10.016 13.497 1.00 0.00 N ATOM 0 H LYS A 73 10.804 -7.442 8.732 1.00 0.00 H new ATOM 0 HA LYS A 73 10.448 -9.972 7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.171 -10.679 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.881 -10.411 9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.439 -8.918 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.494 -7.940 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.785 -8.467 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.695 -9.918 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.673 -11.257 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.624 -9.946 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.866 -10.611 14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.606 -9.018 13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.684 -10.287 13.139 1.00 0.00 H new ATOM 1204 N SER A 74 8.284 -7.565 7.768 1.00 0.00 N ATOM 1205 CA SER A 74 6.985 -7.040 7.352 1.00 0.00 C ATOM 1206 C SER A 74 7.151 -5.779 6.507 1.00 0.00 C ATOM 1207 O SER A 74 8.152 -5.069 6.627 1.00 0.00 O ATOM 1208 CB SER A 74 6.114 -6.736 8.575 1.00 0.00 C ATOM 1209 OG SER A 74 5.817 -7.918 9.301 1.00 0.00 O ATOM 0 H SER A 74 8.853 -6.907 8.300 1.00 0.00 H new ATOM 0 HA SER A 74 6.494 -7.801 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.629 -6.027 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.187 -6.260 8.255 1.00 0.00 H new ATOM 0 HG SER A 74 4.853 -7.965 9.469 1.00 0.00 H new ATOM 1215 N LEU A 75 6.164 -5.507 5.651 1.00 0.00 N ATOM 1216 CA LEU A 75 6.205 -4.331 4.784 1.00 0.00 C ATOM 1217 C LEU A 75 5.501 -3.143 5.433 1.00 0.00 C ATOM 1218 O LEU A 75 4.296 -3.189 5.689 1.00 0.00 O ATOM 1219 CB LEU A 75 5.565 -4.640 3.425 1.00 0.00 C ATOM 1220 CG LEU A 75 6.518 -5.210 2.372 1.00 0.00 C ATOM 1221 CD1 LEU A 75 6.405 -6.725 2.314 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.232 -4.597 1.008 1.00 0.00 C ATOM 0 H LEU A 75 5.330 -6.084 5.541 1.00 0.00 H new ATOM 0 HA LEU A 75 7.252 -4.068 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.751 -5.349 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.122 -3.725 3.033 1.00 0.00 H new ATOM 0 HG LEU A 75 7.539 -4.955 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.090 -7.112 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.660 -7.146 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.384 -7.004 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.919 -5.013 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.206 -4.822 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.366 -3.517 1.059 1.00 0.00 H new ATOM 1234 N ARG A 76 6.259 -2.079 5.691 1.00 0.00 N ATOM 1235 CA ARG A 76 5.710 -0.872 6.303 1.00 0.00 C ATOM 1236 C ARG A 76 5.369 0.162 5.229 1.00 0.00 C ATOM 1237 O ARG A 76 6.180 1.034 4.911 1.00 0.00 O ATOM 1238 CB ARG A 76 6.705 -0.278 7.308 1.00 0.00 C ATOM 1239 CG ARG A 76 7.159 -1.258 8.382 1.00 0.00 C ATOM 1240 CD ARG A 76 8.558 -1.790 8.097 1.00 0.00 C ATOM 1241 NE ARG A 76 9.428 -1.714 9.270 1.00 0.00 N ATOM 1242 CZ ARG A 76 9.907 -0.572 9.776 1.00 0.00 C ATOM 1243 NH1 ARG A 76 9.586 0.597 9.227 1.00 0.00 N ATOM 1244 NH2 ARG A 76 10.707 -0.602 10.837 1.00 0.00 N ATOM 0 H ARG A 76 7.257 -2.029 5.485 1.00 0.00 H new ATOM 0 HA ARG A 76 4.797 -1.142 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.580 0.084 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.248 0.586 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.147 -0.765 9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.457 -2.090 8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.490 -2.826 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.002 -1.221 7.280 1.00 0.00 H new ATOM 0 HE ARG A 76 9.686 -2.586 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.970 0.627 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.956 1.463 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.955 -1.495 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.073 0.268 11.224 1.00 0.00 H new ATOM 1258 N ILE A 77 4.165 0.051 4.672 1.00 0.00 N ATOM 1259 CA ILE A 77 3.712 0.968 3.628 1.00 0.00 C ATOM 1260 C ILE A 77 2.750 2.008 4.203 1.00 0.00 C ATOM 1261 O ILE A 77 1.810 1.665 4.922 1.00 0.00 O ATOM 1262 CB ILE A 77 3.015 0.207 2.475 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.872 -0.980 2.018 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.735 1.141 1.305 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.119 -1.979 1.165 1.00 0.00 C ATOM 0 H ILE A 77 3.485 -0.665 4.926 1.00 0.00 H new ATOM 0 HA ILE A 77 4.594 1.471 3.232 1.00 0.00 H new ATOM 0 HB ILE A 77 2.063 -0.175 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.726 -0.605 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.268 -1.490 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.245 0.586 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.086 1.952 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.674 1.554 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.788 -2.791 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.281 -2.383 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.746 -1.484 0.269 1.00 0.00 H new ATOM 1277 N LEU A 78 2.990 3.279 3.880 1.00 0.00 N ATOM 1278 CA LEU A 78 2.142 4.365 4.368 1.00 0.00 C ATOM 1279 C LEU A 78 1.182 4.834 3.277 1.00 0.00 C ATOM 1280 O LEU A 78 1.609 5.333 2.234 1.00 0.00 O ATOM 1281 CB LEU A 78 3.009 5.534 4.851 1.00 0.00 C ATOM 1282 CG LEU A 78 2.238 6.717 5.447 1.00 0.00 C ATOM 1283 CD1 LEU A 78 1.604 6.332 6.776 1.00 0.00 C ATOM 1284 CD2 LEU A 78 3.156 7.919 5.620 1.00 0.00 C ATOM 0 H LEU A 78 3.762 3.580 3.285 1.00 0.00 H new ATOM 0 HA LEU A 78 1.552 3.992 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.707 5.162 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.604 5.895 4.012 1.00 0.00 H new ATOM 0 HG LEU A 78 1.441 6.989 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.062 7.186 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.913 5.503 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.383 6.031 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.592 8.750 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.976 7.658 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.559 8.212 4.650 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.117 4.676 3.529 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.140 5.087 2.568 1.00 0.00 C ATOM 1298 C LEU A 79 -1.822 6.377 3.018 1.00 0.00 C ATOM 1299 O LEU A 79 -2.313 6.472 4.146 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.179 3.975 2.370 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.894 3.497 3.641 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.251 4.170 3.781 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.049 1.983 3.628 1.00 0.00 C ATOM 0 H LEU A 79 -0.485 4.268 4.388 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.648 5.274 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.930 4.327 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.685 3.119 1.910 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.284 3.775 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.740 3.817 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.117 5.250 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.869 3.926 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.558 1.662 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.635 1.685 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.065 1.517 3.579 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.847 7.368 2.128 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.466 8.656 2.428 1.00 0.00 C ATOM 1317 C LEU A 80 -3.615 8.943 1.467 1.00 0.00 C ATOM 1318 O LEU A 80 -3.430 8.963 0.250 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.422 9.774 2.351 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.527 9.908 3.586 1.00 0.00 C ATOM 1321 CD1 LEU A 80 0.706 9.025 3.452 1.00 0.00 C ATOM 1322 CD2 LEU A 80 -0.126 11.361 3.800 1.00 0.00 C ATOM 0 H LEU A 80 -1.445 7.302 1.193 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.868 8.615 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.790 9.602 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.937 10.721 2.189 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.092 9.576 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.330 9.134 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.399 7.984 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.274 9.324 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.510 11.437 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.420 11.720 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.020 11.968 3.944 1.00 0.00 H new ATOM 1334 N SER A 81 -4.803 9.163 2.027 1.00 0.00 N ATOM 1335 CA SER A 81 -5.992 9.448 1.226 1.00 0.00 C ATOM 1336 C SER A 81 -5.957 10.872 0.675 1.00 0.00 C ATOM 1337 O SER A 81 -5.510 11.799 1.351 1.00 0.00 O ATOM 1338 CB SER A 81 -7.259 9.244 2.064 1.00 0.00 C ATOM 1339 OG SER A 81 -6.998 9.418 3.446 1.00 0.00 O ATOM 0 H SER A 81 -4.968 9.149 3.033 1.00 0.00 H new ATOM 0 HA SER A 81 -6.003 8.755 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.026 9.950 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.655 8.244 1.890 1.00 0.00 H new ATOM 0 HG SER A 81 -6.858 8.543 3.865 1.00 0.00 H new ATOM 1345 N GLN A 82 -6.443 11.036 -0.556 1.00 0.00 N ATOM 1346 CA GLN A 82 -6.479 12.349 -1.203 1.00 0.00 C ATOM 1347 C GLN A 82 -7.735 13.139 -0.823 1.00 0.00 C ATOM 1348 O GLN A 82 -7.980 14.224 -1.353 1.00 0.00 O ATOM 1349 CB GLN A 82 -6.384 12.199 -2.727 1.00 0.00 C ATOM 1350 CG GLN A 82 -5.986 13.478 -3.450 1.00 0.00 C ATOM 1351 CD GLN A 82 -4.537 13.469 -3.902 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -4.240 13.181 -5.061 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -3.627 13.785 -2.989 1.00 0.00 N ATOM 0 H GLN A 82 -6.817 10.277 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.616 12.912 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.658 11.420 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.347 11.862 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.632 13.616 -4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.151 14.330 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.917 14.017 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.638 13.795 -3.237 1.00 0.00 H new