USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 6 SER OG : rot 86:sc= 0.377 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.7!) USER MOD Single : A 13 MET CE :methyl -178:sc= 0 (180deg=-0.0117) USER MOD Single : A 20 CYS SG : rot -90:sc= -2.79 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 1:sc= 0.336 USER MOD Single : A 29 ASN : amide:sc= 0.683 K(o=0.68,f=-9.7!) USER MOD Single : A 30 MET CE :methyl -159:sc= -0.202 (180deg=-0.759) USER MOD Single : A 37 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.029) USER MOD Single : A 42 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.4!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.093) USER MOD Single : A 86 THR OG1 : rot 58:sc= 0.231 USER MOD Single : A 87 SER OG : rot 58:sc= 1.31 USER MOD Single : A 88 MET CE :methyl -163:sc= -0.0551 (180deg=-0.483) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 94 GLN : amide:sc= -0.379 K(o=-0.38,f=-2.9!) USER MOD Single : A 97 GLN : amide:sc= -1.83! K(o=-1.8!,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 144:sc= -1.75! USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 104 ASN : amide:sc= -1.37 K(o=-1.4,f=-3) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -42.182 12.652 0.036 1.00 5.46 N ATOM 16 CA ILE A 2 -41.607 11.339 0.082 1.00 4.94 C ATOM 17 C ILE A 2 -40.574 11.264 1.200 1.00 4.60 C ATOM 18 O ILE A 2 -39.544 11.936 1.133 1.00 4.72 O ATOM 19 CB ILE A 2 -40.930 11.040 -1.271 1.00 4.98 C ATOM 20 CG1 ILE A 2 -41.967 11.074 -2.395 1.00 5.40 C ATOM 21 CG2 ILE A 2 -40.225 9.699 -1.231 1.00 4.52 C ATOM 22 CD1 ILE A 2 -41.370 11.357 -3.752 1.00 5.69 C ATOM 0 HA ILE A 2 -42.389 10.604 0.274 1.00 4.94 H new ATOM 0 HB ILE A 2 -40.181 11.808 -1.465 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -42.488 10.117 -2.428 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -42.713 11.836 -2.168 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -39.754 9.507 -2.195 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -39.464 9.711 -0.451 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -40.950 8.913 -1.018 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -42.161 11.367 -4.502 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -40.873 12.327 -3.736 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -40.645 10.582 -3.999 1.00 5.69 H new ATOM 34 N ASP A 3 -40.859 10.487 2.240 1.00 4.29 N ATOM 35 CA ASP A 3 -39.877 10.268 3.296 1.00 4.07 C ATOM 36 C ASP A 3 -38.746 9.403 2.785 1.00 3.76 C ATOM 37 O ASP A 3 -38.739 8.181 2.965 1.00 3.50 O ATOM 38 CB ASP A 3 -40.482 9.625 4.547 1.00 3.99 C ATOM 39 CG ASP A 3 -41.075 10.639 5.504 1.00 4.25 C ATOM 40 OD1 ASP A 3 -40.316 11.193 6.328 1.00 4.60 O ATOM 41 OD2 ASP A 3 -42.293 10.889 5.447 1.00 4.39 O ATOM 0 H ASP A 3 -41.748 10.005 2.374 1.00 4.29 H new ATOM 0 HA ASP A 3 -39.502 11.251 3.582 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -41.257 8.919 4.248 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -39.712 9.053 5.064 1.00 3.99 H new ATOM 46 N GLU A 4 -37.788 10.044 2.144 1.00 3.88 N ATOM 47 CA GLU A 4 -36.618 9.362 1.626 1.00 3.72 C ATOM 48 C GLU A 4 -35.728 8.910 2.772 1.00 3.64 C ATOM 49 O GLU A 4 -34.733 8.216 2.572 1.00 3.58 O ATOM 50 CB GLU A 4 -35.879 10.277 0.663 1.00 4.04 C ATOM 51 CG GLU A 4 -36.740 10.654 -0.526 1.00 4.23 C ATOM 52 CD GLU A 4 -36.149 11.769 -1.357 1.00 4.68 C ATOM 53 OE1 GLU A 4 -36.006 12.892 -0.831 1.00 5.13 O ATOM 54 OE2 GLU A 4 -35.838 11.536 -2.543 1.00 4.67 O ATOM 0 H GLU A 4 -37.798 11.049 1.968 1.00 3.88 H new ATOM 0 HA GLU A 4 -36.922 8.471 1.077 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -35.567 11.180 1.187 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -34.973 9.782 0.314 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -36.883 9.776 -1.156 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -37.726 10.956 -0.172 1.00 4.23 H new ATOM 61 N SER A 5 -36.106 9.307 3.978 1.00 3.76 N ATOM 62 CA SER A 5 -35.504 8.784 5.183 1.00 3.85 C ATOM 63 C SER A 5 -35.670 7.265 5.212 1.00 3.61 C ATOM 64 O SER A 5 -34.772 6.537 5.623 1.00 3.72 O ATOM 65 CB SER A 5 -36.177 9.423 6.399 1.00 4.10 C ATOM 66 OG SER A 5 -36.338 10.822 6.202 1.00 4.17 O ATOM 0 H SER A 5 -36.837 9.999 4.143 1.00 3.76 H new ATOM 0 HA SER A 5 -34.440 9.020 5.205 1.00 3.85 H new ATOM 0 HB2 SER A 5 -37.149 8.960 6.569 1.00 4.10 H new ATOM 0 HB3 SER A 5 -35.577 9.242 7.291 1.00 4.10 H new ATOM 0 HG SER A 5 -36.771 11.215 6.988 1.00 4.17 H new ATOM 72 N SER A 6 -36.824 6.797 4.731 1.00 3.37 N ATOM 73 CA SER A 6 -37.110 5.368 4.665 1.00 3.21 C ATOM 74 C SER A 6 -36.150 4.653 3.706 1.00 3.07 C ATOM 75 O SER A 6 -35.493 3.673 4.077 1.00 3.14 O ATOM 76 CB SER A 6 -38.554 5.163 4.203 1.00 3.12 C ATOM 77 OG SER A 6 -39.429 6.059 4.872 1.00 3.42 O ATOM 0 H SER A 6 -37.576 7.391 4.381 1.00 3.37 H new ATOM 0 HA SER A 6 -36.973 4.941 5.658 1.00 3.21 H new ATOM 0 HB2 SER A 6 -38.622 5.318 3.126 1.00 3.12 H new ATOM 0 HB3 SER A 6 -38.860 4.135 4.397 1.00 3.12 H new ATOM 0 HG SER A 6 -39.458 6.911 4.388 1.00 3.42 H new ATOM 83 N VAL A 7 -36.050 5.163 2.477 1.00 2.98 N ATOM 84 CA VAL A 7 -35.213 4.527 1.468 1.00 2.91 C ATOM 85 C VAL A 7 -33.746 4.570 1.865 1.00 3.12 C ATOM 86 O VAL A 7 -33.019 3.606 1.671 1.00 3.14 O ATOM 87 CB VAL A 7 -35.393 5.142 0.058 1.00 2.96 C ATOM 88 CG1 VAL A 7 -35.188 6.645 0.058 1.00 3.24 C ATOM 89 CG2 VAL A 7 -34.448 4.484 -0.936 1.00 2.98 C ATOM 0 H VAL A 7 -36.533 6.004 2.162 1.00 2.98 H new ATOM 0 HA VAL A 7 -35.543 3.489 1.416 1.00 2.91 H new ATOM 0 HB VAL A 7 -36.423 4.952 -0.245 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -35.324 7.031 -0.952 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -35.913 7.111 0.725 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -34.179 6.875 0.401 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -34.589 4.929 -1.921 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -33.418 4.635 -0.613 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -34.659 3.416 -0.987 1.00 2.98 H new ATOM 99 N MET A 8 -33.324 5.683 2.439 1.00 3.37 N ATOM 100 CA MET A 8 -31.940 5.837 2.865 1.00 3.71 C ATOM 101 C MET A 8 -31.603 4.888 4.006 1.00 3.85 C ATOM 102 O MET A 8 -30.471 4.427 4.114 1.00 4.12 O ATOM 103 CB MET A 8 -31.651 7.281 3.252 1.00 4.00 C ATOM 104 CG MET A 8 -31.604 8.201 2.049 1.00 4.07 C ATOM 105 SD MET A 8 -30.194 7.867 0.980 1.00 4.46 S ATOM 106 CE MET A 8 -30.513 9.001 -0.370 1.00 5.17 C ATOM 0 H MET A 8 -33.917 6.493 2.621 1.00 3.37 H new ATOM 0 HA MET A 8 -31.301 5.577 2.021 1.00 3.71 H new ATOM 0 HB2 MET A 8 -32.418 7.630 3.943 1.00 4.00 H new ATOM 0 HB3 MET A 8 -30.699 7.329 3.781 1.00 4.00 H new ATOM 0 HG2 MET A 8 -32.525 8.091 1.476 1.00 4.07 H new ATOM 0 HG3 MET A 8 -31.561 9.236 2.389 1.00 4.07 H new ATOM 0 HE1 MET A 8 -29.723 8.911 -1.115 1.00 5.17 H new ATOM 0 HE2 MET A 8 -31.473 8.761 -0.828 1.00 5.17 H new ATOM 0 HE3 MET A 8 -30.538 10.022 0.011 1.00 5.17 H new ATOM 116 N GLN A 9 -32.585 4.583 4.846 1.00 3.77 N ATOM 117 CA GLN A 9 -32.393 3.598 5.905 1.00 4.01 C ATOM 118 C GLN A 9 -32.095 2.230 5.305 1.00 3.96 C ATOM 119 O GLN A 9 -31.256 1.490 5.817 1.00 4.33 O ATOM 120 CB GLN A 9 -33.618 3.529 6.824 1.00 4.00 C ATOM 121 CG GLN A 9 -33.733 4.709 7.778 1.00 4.36 C ATOM 122 CD GLN A 9 -32.658 4.721 8.852 1.00 4.96 C ATOM 123 OE1 GLN A 9 -31.551 4.223 8.660 1.00 5.38 O ATOM 124 NE2 GLN A 9 -32.981 5.297 9.996 1.00 5.37 N ATOM 0 H GLN A 9 -33.516 4.999 4.816 1.00 3.77 H new ATOM 0 HA GLN A 9 -31.540 3.909 6.509 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -34.518 3.479 6.212 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -33.575 2.607 7.404 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -33.677 5.636 7.207 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -34.713 4.688 8.255 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -33.910 5.700 10.120 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -32.302 5.339 10.756 1.00 5.37 H new ATOM 133 N LEU A 10 -32.778 1.896 4.213 1.00 3.56 N ATOM 134 CA LEU A 10 -32.470 0.665 3.484 1.00 3.52 C ATOM 135 C LEU A 10 -31.132 0.807 2.773 1.00 3.65 C ATOM 136 O LEU A 10 -30.294 -0.092 2.786 1.00 3.90 O ATOM 137 CB LEU A 10 -33.513 0.363 2.411 1.00 3.15 C ATOM 138 CG LEU A 10 -34.979 0.509 2.795 1.00 3.03 C ATOM 139 CD1 LEU A 10 -35.850 0.036 1.657 1.00 2.85 C ATOM 140 CD2 LEU A 10 -35.307 -0.257 4.062 1.00 3.23 C ATOM 0 H LEU A 10 -33.537 2.450 3.817 1.00 3.56 H new ATOM 0 HA LEU A 10 -32.454 -0.140 4.218 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -33.321 1.018 1.561 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -33.356 -0.659 2.067 1.00 3.15 H new ATOM 0 HG LEU A 10 -35.174 1.563 2.992 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -36.899 0.141 1.934 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -35.647 0.636 0.770 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -35.634 -1.011 1.444 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -36.362 -0.128 4.303 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -35.096 -1.316 3.912 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -34.699 0.121 4.884 1.00 3.23 H new ATOM 152 N ALA A 11 -30.962 1.965 2.156 1.00 3.56 N ATOM 153 CA ALA A 11 -29.822 2.246 1.289 1.00 3.74 C ATOM 154 C ALA A 11 -28.498 2.166 2.040 1.00 4.22 C ATOM 155 O ALA A 11 -27.528 1.585 1.545 1.00 4.46 O ATOM 156 CB ALA A 11 -29.982 3.625 0.656 1.00 3.71 C ATOM 0 H ALA A 11 -31.614 2.744 2.241 1.00 3.56 H new ATOM 0 HA ALA A 11 -29.802 1.483 0.511 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -29.128 3.830 0.010 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -30.898 3.650 0.066 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -30.034 4.381 1.439 1.00 3.71 H new ATOM 162 N GLU A 12 -28.472 2.725 3.244 1.00 4.41 N ATOM 163 CA GLU A 12 -27.257 2.759 4.052 1.00 4.92 C ATOM 164 C GLU A 12 -26.858 1.372 4.553 1.00 5.14 C ATOM 165 O GLU A 12 -25.765 1.202 5.094 1.00 5.60 O ATOM 166 CB GLU A 12 -27.412 3.717 5.233 1.00 5.13 C ATOM 167 CG GLU A 12 -27.405 5.183 4.832 1.00 5.27 C ATOM 168 CD GLU A 12 -27.393 6.120 6.024 1.00 5.79 C ATOM 169 OE1 GLU A 12 -26.501 5.974 6.885 1.00 6.27 O ATOM 170 OE2 GLU A 12 -28.259 7.021 6.092 1.00 5.95 O ATOM 0 H GLU A 12 -29.281 3.163 3.684 1.00 4.41 H new ATOM 0 HA GLU A 12 -26.459 3.120 3.403 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -28.345 3.495 5.750 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -26.604 3.539 5.943 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -26.531 5.381 4.212 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -28.283 5.392 4.221 1.00 5.27 H new ATOM 177 N MET A 13 -27.732 0.383 4.380 1.00 4.88 N ATOM 178 CA MET A 13 -27.404 -0.990 4.759 1.00 5.14 C ATOM 179 C MET A 13 -26.387 -1.581 3.784 1.00 4.89 C ATOM 180 O MET A 13 -25.658 -2.517 4.116 1.00 5.03 O ATOM 181 CB MET A 13 -28.656 -1.870 4.799 1.00 5.20 C ATOM 182 CG MET A 13 -29.732 -1.362 5.745 1.00 4.86 C ATOM 183 SD MET A 13 -31.125 -2.501 5.892 1.00 5.10 S ATOM 184 CE MET A 13 -32.201 -1.575 6.988 1.00 5.16 C ATOM 0 H MET A 13 -28.664 0.504 3.984 1.00 4.88 H new ATOM 0 HA MET A 13 -26.972 -0.964 5.759 1.00 5.14 H new ATOM 0 HB2 MET A 13 -29.072 -1.940 3.794 1.00 5.20 H new ATOM 0 HB3 MET A 13 -28.370 -2.879 5.096 1.00 5.20 H new ATOM 0 HG2 MET A 13 -29.296 -1.199 6.731 1.00 4.86 H new ATOM 0 HG3 MET A 13 -30.093 -0.396 5.392 1.00 4.86 H new ATOM 0 HE1 MET A 13 -33.093 -2.163 7.204 1.00 5.16 H new ATOM 0 HE2 MET A 13 -31.674 -1.359 7.918 1.00 5.16 H new ATOM 0 HE3 MET A 13 -32.490 -0.640 6.509 1.00 5.16 H new ATOM 194 N GLY A 14 -26.345 -1.026 2.580 1.00 4.62 N ATOM 195 CA GLY A 14 -25.370 -1.455 1.598 1.00 4.51 C ATOM 196 C GLY A 14 -25.997 -1.891 0.294 1.00 4.38 C ATOM 197 O GLY A 14 -25.661 -2.949 -0.244 1.00 4.75 O ATOM 0 H GLY A 14 -26.971 -0.284 2.266 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -24.674 -0.639 1.405 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -24.788 -2.280 2.009 1.00 4.51 H new ATOM 201 N PHE A 15 -26.901 -1.062 -0.212 1.00 4.09 N ATOM 202 CA PHE A 15 -27.556 -1.303 -1.495 1.00 4.04 C ATOM 203 C PHE A 15 -28.548 -0.183 -1.783 1.00 3.73 C ATOM 204 O PHE A 15 -29.287 0.243 -0.902 1.00 3.48 O ATOM 205 CB PHE A 15 -28.267 -2.664 -1.501 1.00 4.10 C ATOM 206 CG PHE A 15 -28.808 -3.072 -2.845 1.00 4.27 C ATOM 207 CD1 PHE A 15 -28.000 -3.707 -3.773 1.00 4.60 C ATOM 208 CD2 PHE A 15 -30.129 -2.817 -3.176 1.00 4.36 C ATOM 209 CE1 PHE A 15 -28.499 -4.080 -5.007 1.00 5.01 C ATOM 210 CE2 PHE A 15 -30.634 -3.188 -4.407 1.00 4.78 C ATOM 211 CZ PHE A 15 -29.798 -3.831 -5.329 1.00 5.09 C ATOM 0 H PHE A 15 -27.202 -0.205 0.253 1.00 4.09 H new ATOM 0 HA PHE A 15 -26.797 -1.319 -2.277 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -27.569 -3.427 -1.156 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -29.088 -2.635 -0.785 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -26.968 -3.913 -3.530 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -30.772 -2.322 -2.463 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -27.854 -4.572 -5.720 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -31.665 -2.984 -4.657 1.00 4.78 H new ATOM 0 HZ PHE A 15 -30.183 -4.129 -6.293 1.00 5.09 H new ATOM 221 N PRO A 16 -28.542 0.331 -3.013 1.00 3.83 N ATOM 222 CA PRO A 16 -29.422 1.422 -3.424 1.00 3.69 C ATOM 223 C PRO A 16 -30.858 0.954 -3.645 1.00 3.43 C ATOM 224 O PRO A 16 -31.226 0.569 -4.755 1.00 3.52 O ATOM 225 CB PRO A 16 -28.794 1.899 -4.731 1.00 4.05 C ATOM 226 CG PRO A 16 -28.161 0.678 -5.304 1.00 4.25 C ATOM 227 CD PRO A 16 -27.715 -0.154 -4.127 1.00 4.22 C ATOM 0 HA PRO A 16 -29.499 2.202 -2.667 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -29.544 2.311 -5.405 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -28.058 2.683 -4.555 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -28.868 0.127 -5.925 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -27.315 0.939 -5.939 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -27.873 -1.217 -4.308 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -26.653 -0.020 -3.923 1.00 4.22 H new ATOM 235 N LEU A 17 -31.680 0.971 -2.601 1.00 3.19 N ATOM 236 CA LEU A 17 -33.080 0.594 -2.760 1.00 3.02 C ATOM 237 C LEU A 17 -33.886 1.741 -3.371 1.00 3.04 C ATOM 238 O LEU A 17 -34.859 2.211 -2.790 1.00 2.93 O ATOM 239 CB LEU A 17 -33.733 0.122 -1.435 1.00 2.86 C ATOM 240 CG LEU A 17 -33.300 -1.265 -0.929 1.00 2.99 C ATOM 241 CD1 LEU A 17 -33.392 -2.301 -2.042 1.00 3.21 C ATOM 242 CD2 LEU A 17 -31.898 -1.232 -0.343 1.00 3.29 C ATOM 0 H LEU A 17 -31.409 1.236 -1.654 1.00 3.19 H new ATOM 0 HA LEU A 17 -33.094 -0.257 -3.441 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -33.509 0.856 -0.661 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -34.815 0.118 -1.567 1.00 2.86 H new ATOM 0 HG LEU A 17 -33.986 -1.552 -0.132 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -33.081 -3.274 -1.660 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -34.421 -2.363 -2.397 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -32.740 -2.009 -2.866 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -31.625 -2.229 0.004 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -31.192 -0.908 -1.107 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -31.870 -0.536 0.495 1.00 3.29 H new ATOM 254 N GLU A 18 -33.475 2.194 -4.551 1.00 3.30 N ATOM 255 CA GLU A 18 -34.224 3.189 -5.291 1.00 3.51 C ATOM 256 C GLU A 18 -35.655 2.724 -5.538 1.00 3.51 C ATOM 257 O GLU A 18 -36.554 3.532 -5.748 1.00 3.70 O ATOM 258 CB GLU A 18 -33.516 3.491 -6.599 1.00 3.90 C ATOM 259 CG GLU A 18 -32.837 4.847 -6.611 1.00 4.24 C ATOM 260 CD GLU A 18 -31.736 4.969 -5.578 1.00 4.90 C ATOM 261 OE1 GLU A 18 -32.053 5.149 -4.382 1.00 5.09 O ATOM 262 OE2 GLU A 18 -30.552 4.867 -5.952 1.00 5.48 O ATOM 0 H GLU A 18 -32.621 1.882 -5.013 1.00 3.30 H new ATOM 0 HA GLU A 18 -34.276 4.103 -4.700 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -32.772 2.717 -6.789 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -34.238 3.446 -7.414 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -32.420 5.029 -7.601 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -33.583 5.622 -6.432 1.00 4.24 H new ATOM 269 N ALA A 19 -35.859 1.412 -5.508 1.00 3.41 N ATOM 270 CA ALA A 19 -37.197 0.846 -5.567 1.00 3.49 C ATOM 271 C ALA A 19 -38.030 1.340 -4.396 1.00 3.32 C ATOM 272 O ALA A 19 -39.238 1.498 -4.503 1.00 3.54 O ATOM 273 CB ALA A 19 -37.131 -0.664 -5.549 1.00 3.45 C ATOM 0 H ALA A 19 -35.112 0.721 -5.443 1.00 3.41 H new ATOM 0 HA ALA A 19 -37.667 1.167 -6.497 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -38.140 -1.073 -5.594 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -36.560 -1.013 -6.409 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -36.645 -0.996 -4.631 1.00 3.45 H new ATOM 279 N CYS A 20 -37.353 1.574 -3.277 1.00 3.03 N ATOM 280 CA CYS A 20 -37.988 2.103 -2.075 1.00 2.94 C ATOM 281 C CYS A 20 -38.302 3.573 -2.263 1.00 3.13 C ATOM 282 O CYS A 20 -39.334 4.048 -1.813 1.00 3.27 O ATOM 283 CB CYS A 20 -37.092 1.943 -0.850 1.00 2.73 C ATOM 284 SG CYS A 20 -37.906 2.371 0.708 1.00 2.75 S ATOM 0 H CYS A 20 -36.352 1.403 -3.177 1.00 3.03 H new ATOM 0 HA CYS A 20 -38.905 1.537 -1.911 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -36.745 0.911 -0.797 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -36.209 2.570 -0.972 1.00 2.73 H new ATOM 0 HG CYS A 20 -37.724 3.633 0.960 1.00 2.75 H new ATOM 290 N ARG A 21 -37.389 4.288 -2.911 1.00 3.24 N ATOM 291 CA ARG A 21 -37.632 5.682 -3.286 1.00 3.55 C ATOM 292 C ARG A 21 -38.983 5.780 -3.999 1.00 3.89 C ATOM 293 O ARG A 21 -39.864 6.563 -3.620 1.00 4.07 O ATOM 294 CB ARG A 21 -36.506 6.174 -4.205 1.00 3.75 C ATOM 295 CG ARG A 21 -35.721 7.365 -3.674 1.00 4.17 C ATOM 296 CD ARG A 21 -36.554 8.639 -3.677 1.00 4.74 C ATOM 297 NE ARG A 21 -37.106 8.930 -4.998 1.00 5.08 N ATOM 298 CZ ARG A 21 -37.804 10.026 -5.292 1.00 5.56 C ATOM 299 NH1 ARG A 21 -37.880 11.026 -4.419 1.00 5.80 N ATOM 300 NH2 ARG A 21 -38.374 10.145 -6.482 1.00 6.10 N ATOM 0 H ARG A 21 -36.475 3.929 -3.188 1.00 3.24 H new ATOM 0 HA ARG A 21 -37.651 6.308 -2.394 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -35.814 5.350 -4.381 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -36.935 6.441 -5.171 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -35.383 7.154 -2.659 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -34.829 7.513 -4.283 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -37.367 8.542 -2.958 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -35.937 9.476 -3.350 1.00 4.74 H new ATOM 0 HE ARG A 21 -36.947 8.251 -5.742 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -37.403 10.956 -3.520 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -38.415 11.863 -4.648 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -38.278 9.399 -7.170 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -38.909 10.983 -6.710 1.00 6.10 H new ATOM 314 N LYS A 22 -39.135 4.935 -5.011 1.00 4.03 N ATOM 315 CA LYS A 22 -40.383 4.818 -5.750 1.00 4.43 C ATOM 316 C LYS A 22 -41.495 4.310 -4.832 1.00 4.38 C ATOM 317 O LYS A 22 -42.603 4.833 -4.837 1.00 4.73 O ATOM 318 CB LYS A 22 -40.201 3.845 -6.920 1.00 4.63 C ATOM 319 CG LYS A 22 -38.928 4.074 -7.712 1.00 4.60 C ATOM 320 CD LYS A 22 -38.646 2.919 -8.656 1.00 4.73 C ATOM 321 CE LYS A 22 -37.154 2.730 -8.850 1.00 4.49 C ATOM 322 NZ LYS A 22 -36.842 1.694 -9.867 1.00 4.77 N ATOM 0 H LYS A 22 -38.397 4.313 -5.341 1.00 4.03 H new ATOM 0 HA LYS A 22 -40.659 5.801 -6.132 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -40.201 2.825 -6.536 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -41.056 3.933 -7.590 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -39.014 4.999 -8.282 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -38.089 4.199 -7.027 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -39.084 2.004 -8.258 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -39.121 3.107 -9.619 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -36.707 3.677 -9.151 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -36.699 2.451 -7.900 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -35.811 1.602 -9.963 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -37.245 0.783 -9.569 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -37.252 1.971 -10.782 1.00 4.77 H new ATOM 336 N ALA A 23 -41.171 3.292 -4.039 1.00 4.00 N ATOM 337 CA ALA A 23 -42.121 2.660 -3.127 1.00 4.00 C ATOM 338 C ALA A 23 -42.735 3.662 -2.164 1.00 4.05 C ATOM 339 O ALA A 23 -43.941 3.668 -1.958 1.00 4.34 O ATOM 340 CB ALA A 23 -41.435 1.552 -2.346 1.00 3.66 C ATOM 0 H ALA A 23 -40.238 2.880 -4.011 1.00 4.00 H new ATOM 0 HA ALA A 23 -42.926 2.241 -3.731 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -42.151 1.087 -1.669 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -41.051 0.803 -3.038 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -40.610 1.970 -1.770 1.00 3.66 H new ATOM 346 N VAL A 24 -41.905 4.502 -1.569 1.00 3.82 N ATOM 347 CA VAL A 24 -42.386 5.526 -0.655 1.00 3.90 C ATOM 348 C VAL A 24 -43.362 6.448 -1.375 1.00 4.37 C ATOM 349 O VAL A 24 -44.424 6.778 -0.852 1.00 4.58 O ATOM 350 CB VAL A 24 -41.224 6.356 -0.065 1.00 3.69 C ATOM 351 CG1 VAL A 24 -41.747 7.475 0.815 1.00 3.86 C ATOM 352 CG2 VAL A 24 -40.273 5.475 0.723 1.00 3.33 C ATOM 0 H VAL A 24 -40.894 4.496 -1.702 1.00 3.82 H new ATOM 0 HA VAL A 24 -42.893 5.024 0.169 1.00 3.90 H new ATOM 0 HB VAL A 24 -40.678 6.797 -0.899 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -40.909 8.044 1.217 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -42.383 8.135 0.225 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -42.326 7.052 1.636 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -39.464 6.083 1.128 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -40.812 4.998 1.541 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -39.858 4.710 0.067 1.00 3.33 H new ATOM 362 N TYR A 25 -43.002 6.840 -2.589 1.00 4.58 N ATOM 363 CA TYR A 25 -43.891 7.642 -3.420 1.00 5.10 C ATOM 364 C TYR A 25 -45.185 6.874 -3.743 1.00 5.36 C ATOM 365 O TYR A 25 -46.279 7.428 -3.660 1.00 5.71 O ATOM 366 CB TYR A 25 -43.156 8.059 -4.699 1.00 5.32 C ATOM 367 CG TYR A 25 -44.019 8.743 -5.737 1.00 5.87 C ATOM 368 CD1 TYR A 25 -44.425 10.061 -5.565 1.00 6.18 C ATOM 369 CD2 TYR A 25 -44.436 8.072 -6.877 1.00 6.12 C ATOM 370 CE1 TYR A 25 -45.222 10.687 -6.500 1.00 6.71 C ATOM 371 CE2 TYR A 25 -45.238 8.691 -7.816 1.00 6.65 C ATOM 372 CZ TYR A 25 -45.583 9.998 -7.658 1.00 6.94 C ATOM 373 OH TYR A 25 -46.421 10.627 -8.555 1.00 7.48 O ATOM 0 H TYR A 25 -42.105 6.617 -3.020 1.00 4.58 H new ATOM 0 HA TYR A 25 -44.178 8.540 -2.873 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -42.339 8.728 -4.429 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -42.707 7.173 -5.148 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -44.111 10.603 -4.685 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -44.129 7.049 -7.033 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -45.563 11.699 -6.338 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -45.591 8.139 -8.674 1.00 6.65 H new ATOM 0 HH TYR A 25 -46.590 10.034 -9.317 1.00 7.48 H new ATOM 383 N PHE A 26 -45.053 5.592 -4.084 1.00 5.24 N ATOM 384 CA PHE A 26 -46.203 4.760 -4.449 1.00 5.55 C ATOM 385 C PHE A 26 -47.108 4.467 -3.251 1.00 5.56 C ATOM 386 O PHE A 26 -48.331 4.462 -3.382 1.00 5.98 O ATOM 387 CB PHE A 26 -45.748 3.437 -5.078 1.00 5.42 C ATOM 388 CG PHE A 26 -45.129 3.581 -6.438 1.00 5.81 C ATOM 389 CD1 PHE A 26 -45.637 4.485 -7.356 1.00 6.32 C ATOM 390 CD2 PHE A 26 -44.040 2.804 -6.797 1.00 5.81 C ATOM 391 CE1 PHE A 26 -45.069 4.611 -8.610 1.00 6.79 C ATOM 392 CE2 PHE A 26 -43.468 2.925 -8.048 1.00 6.37 C ATOM 393 CZ PHE A 26 -43.984 3.829 -8.956 1.00 6.84 C ATOM 0 H PHE A 26 -44.158 5.104 -4.115 1.00 5.24 H new ATOM 0 HA PHE A 26 -46.777 5.331 -5.179 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -45.028 2.960 -4.413 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -46.606 2.769 -5.151 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -46.485 5.098 -7.089 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -43.634 2.095 -6.090 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -45.473 5.320 -9.318 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -42.619 2.314 -8.316 1.00 6.37 H new ATOM 0 HZ PHE A 26 -43.540 3.924 -9.936 1.00 6.84 H new ATOM 403 N THR A 27 -46.508 4.229 -2.085 1.00 5.14 N ATOM 404 CA THR A 27 -47.276 3.902 -0.884 1.00 5.20 C ATOM 405 C THR A 27 -48.107 5.092 -0.418 1.00 5.47 C ATOM 406 O THR A 27 -49.031 4.945 0.383 1.00 5.71 O ATOM 407 CB THR A 27 -46.371 3.444 0.280 1.00 4.75 C ATOM 408 OG1 THR A 27 -45.334 4.406 0.508 1.00 4.44 O ATOM 409 CG2 THR A 27 -45.757 2.088 -0.010 1.00 4.59 C ATOM 0 H THR A 27 -45.498 4.256 -1.947 1.00 5.14 H new ATOM 0 HA THR A 27 -47.935 3.079 -1.161 1.00 5.20 H new ATOM 0 HB THR A 27 -46.988 3.360 1.174 1.00 4.75 H new ATOM 0 HG1 THR A 27 -45.440 5.155 -0.115 1.00 4.44 H new ATOM 0 HG21 THR A 27 -45.124 1.789 0.826 1.00 4.59 H new ATOM 0 HG22 THR A 27 -46.549 1.352 -0.147 1.00 4.59 H new ATOM 0 HG23 THR A 27 -45.156 2.147 -0.917 1.00 4.59 H new ATOM 417 N GLY A 28 -47.784 6.269 -0.936 1.00 5.48 N ATOM 418 CA GLY A 28 -48.409 7.483 -0.463 1.00 5.75 C ATOM 419 C GLY A 28 -47.682 8.020 0.745 1.00 5.44 C ATOM 420 O GLY A 28 -48.248 8.767 1.546 1.00 5.64 O ATOM 0 H GLY A 28 -47.097 6.403 -1.678 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -48.409 8.231 -1.256 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -49.451 7.287 -0.210 1.00 5.75 H new ATOM 424 N ASN A 29 -46.417 7.624 0.852 1.00 5.01 N ATOM 425 CA ASN A 29 -45.563 7.953 1.983 1.00 4.73 C ATOM 426 C ASN A 29 -46.169 7.431 3.278 1.00 4.74 C ATOM 427 O ASN A 29 -46.677 8.188 4.106 1.00 4.97 O ATOM 428 CB ASN A 29 -45.314 9.458 2.077 1.00 4.95 C ATOM 429 CG ASN A 29 -44.201 9.774 3.051 1.00 4.86 C ATOM 430 OD1 ASN A 29 -43.279 8.977 3.225 1.00 4.99 O ATOM 431 ND2 ASN A 29 -44.269 10.929 3.686 1.00 5.06 N ATOM 0 H ASN A 29 -45.952 7.057 0.143 1.00 5.01 H new ATOM 0 HA ASN A 29 -44.600 7.466 1.825 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -45.059 9.848 1.092 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -46.229 9.961 2.392 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -43.540 11.190 4.350 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -45.051 11.561 3.513 1.00 5.06 H new ATOM 438 N MET A 30 -46.113 6.119 3.440 1.00 4.58 N ATOM 439 CA MET A 30 -46.693 5.466 4.604 1.00 4.71 C ATOM 440 C MET A 30 -45.655 5.265 5.705 1.00 4.46 C ATOM 441 O MET A 30 -45.910 4.575 6.696 1.00 4.65 O ATOM 442 CB MET A 30 -47.302 4.124 4.209 1.00 4.89 C ATOM 443 CG MET A 30 -48.555 4.245 3.360 1.00 5.35 C ATOM 444 SD MET A 30 -49.900 5.077 4.222 1.00 5.80 S ATOM 445 CE MET A 30 -50.130 3.977 5.619 1.00 6.28 C ATOM 0 H MET A 30 -45.670 5.482 2.778 1.00 4.58 H new ATOM 0 HA MET A 30 -47.477 6.115 4.993 1.00 4.71 H new ATOM 0 HB2 MET A 30 -46.558 3.545 3.662 1.00 4.89 H new ATOM 0 HB3 MET A 30 -47.540 3.563 5.113 1.00 4.89 H new ATOM 0 HG2 MET A 30 -48.319 4.793 2.448 1.00 5.35 H new ATOM 0 HG3 MET A 30 -48.882 3.250 3.059 1.00 5.35 H new ATOM 0 HE1 MET A 30 -51.127 4.121 6.035 1.00 6.28 H new ATOM 0 HE2 MET A 30 -50.019 2.944 5.291 1.00 6.28 H new ATOM 0 HE3 MET A 30 -49.384 4.197 6.382 1.00 6.28 H new ATOM 455 N GLY A 31 -44.490 5.866 5.535 1.00 4.17 N ATOM 456 CA GLY A 31 -43.462 5.774 6.549 1.00 4.03 C ATOM 457 C GLY A 31 -42.466 4.668 6.278 1.00 3.77 C ATOM 458 O GLY A 31 -42.658 3.853 5.368 1.00 3.68 O ATOM 0 H GLY A 31 -44.237 6.416 4.714 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -42.933 6.725 6.611 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -43.930 5.606 7.519 1.00 4.03 H new ATOM 462 N ALA A 32 -41.410 4.636 7.085 1.00 3.73 N ATOM 463 CA ALA A 32 -40.320 3.694 6.924 1.00 3.58 C ATOM 464 C ALA A 32 -40.794 2.244 6.972 1.00 3.72 C ATOM 465 O ALA A 32 -40.478 1.459 6.084 1.00 3.56 O ATOM 466 CB ALA A 32 -39.278 3.951 7.999 1.00 3.73 C ATOM 0 H ALA A 32 -41.291 5.271 7.874 1.00 3.73 H new ATOM 0 HA ALA A 32 -39.883 3.846 5.937 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -38.455 3.246 7.884 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -38.900 4.969 7.903 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -39.731 3.823 8.982 1.00 3.73 H new ATOM 472 N GLU A 33 -41.568 1.909 7.999 1.00 4.10 N ATOM 473 CA GLU A 33 -42.024 0.534 8.219 1.00 4.38 C ATOM 474 C GLU A 33 -42.724 -0.046 6.991 1.00 4.28 C ATOM 475 O GLU A 33 -42.487 -1.192 6.607 1.00 4.30 O ATOM 476 CB GLU A 33 -42.973 0.479 9.416 1.00 4.91 C ATOM 477 CG GLU A 33 -42.341 0.924 10.724 1.00 5.11 C ATOM 478 CD GLU A 33 -41.133 0.089 11.098 1.00 5.12 C ATOM 479 OE1 GLU A 33 -41.279 -1.139 11.245 1.00 5.46 O ATOM 480 OE2 GLU A 33 -40.031 0.657 11.238 1.00 5.09 O ATOM 0 H GLU A 33 -41.897 2.574 8.699 1.00 4.10 H new ATOM 0 HA GLU A 33 -41.138 -0.069 8.416 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -43.839 1.108 9.210 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -43.340 -0.541 9.530 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -42.045 1.970 10.643 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -43.082 0.863 11.521 1.00 5.11 H new ATOM 487 N VAL A 34 -43.581 0.755 6.373 1.00 4.27 N ATOM 488 CA VAL A 34 -44.356 0.299 5.228 1.00 4.34 C ATOM 489 C VAL A 34 -43.477 0.167 3.988 1.00 4.01 C ATOM 490 O VAL A 34 -43.599 -0.797 3.237 1.00 4.11 O ATOM 491 CB VAL A 34 -45.546 1.241 4.943 1.00 4.54 C ATOM 492 CG1 VAL A 34 -46.285 0.821 3.681 1.00 4.83 C ATOM 493 CG2 VAL A 34 -46.495 1.260 6.134 1.00 4.88 C ATOM 0 H VAL A 34 -43.757 1.722 6.645 1.00 4.27 H new ATOM 0 HA VAL A 34 -44.753 -0.685 5.476 1.00 4.34 H new ATOM 0 HB VAL A 34 -45.157 2.247 4.785 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -47.118 1.501 3.504 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -45.603 0.854 2.832 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -46.664 -0.194 3.802 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -47.331 1.927 5.923 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -46.871 0.253 6.315 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -45.963 1.613 7.017 1.00 4.88 H new ATOM 503 N ALA A 35 -42.576 1.112 3.786 1.00 3.68 N ATOM 504 CA ALA A 35 -41.708 1.065 2.619 1.00 3.42 C ATOM 505 C ALA A 35 -40.609 0.021 2.777 1.00 3.28 C ATOM 506 O ALA A 35 -40.151 -0.554 1.789 1.00 3.21 O ATOM 507 CB ALA A 35 -41.114 2.420 2.325 1.00 3.22 C ATOM 0 H ALA A 35 -42.426 1.910 4.403 1.00 3.68 H new ATOM 0 HA ALA A 35 -42.327 0.772 1.771 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -40.470 2.353 1.448 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -41.915 3.134 2.134 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -40.527 2.753 3.181 1.00 3.22 H new ATOM 513 N PHE A 36 -40.178 -0.213 4.012 1.00 3.36 N ATOM 514 CA PHE A 36 -39.272 -1.315 4.305 1.00 3.45 C ATOM 515 C PHE A 36 -39.946 -2.619 3.901 1.00 3.68 C ATOM 516 O PHE A 36 -39.334 -3.489 3.284 1.00 3.69 O ATOM 517 CB PHE A 36 -38.901 -1.340 5.796 1.00 3.70 C ATOM 518 CG PHE A 36 -38.122 -2.560 6.212 1.00 3.98 C ATOM 519 CD1 PHE A 36 -36.753 -2.627 6.013 1.00 3.93 C ATOM 520 CD2 PHE A 36 -38.760 -3.640 6.802 1.00 4.38 C ATOM 521 CE1 PHE A 36 -36.034 -3.744 6.394 1.00 4.29 C ATOM 522 CE2 PHE A 36 -38.048 -4.761 7.184 1.00 4.71 C ATOM 523 CZ PHE A 36 -36.683 -4.814 6.980 1.00 4.66 C ATOM 0 H PHE A 36 -40.441 0.345 4.824 1.00 3.36 H new ATOM 0 HA PHE A 36 -38.349 -1.185 3.740 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -38.316 -0.451 6.029 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -39.814 -1.285 6.388 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -36.240 -1.795 5.554 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -39.827 -3.605 6.965 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -34.967 -3.781 6.234 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -38.559 -5.595 7.642 1.00 4.71 H new ATOM 0 HZ PHE A 36 -36.125 -5.689 7.278 1.00 4.66 H new ATOM 533 N ASN A 37 -41.229 -2.726 4.226 1.00 3.94 N ATOM 534 CA ASN A 37 -42.018 -3.886 3.843 1.00 4.25 C ATOM 535 C ASN A 37 -42.203 -3.922 2.330 1.00 4.16 C ATOM 536 O ASN A 37 -42.114 -4.976 1.708 1.00 4.35 O ATOM 537 CB ASN A 37 -43.382 -3.874 4.540 1.00 4.57 C ATOM 538 CG ASN A 37 -44.208 -5.111 4.227 1.00 5.25 C ATOM 539 OD1 ASN A 37 -44.985 -5.129 3.271 1.00 5.69 O ATOM 540 ND2 ASN A 37 -44.047 -6.151 5.029 1.00 5.66 N ATOM 0 H ASN A 37 -41.744 -2.022 4.754 1.00 3.94 H new ATOM 0 HA ASN A 37 -41.481 -4.781 4.157 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -43.235 -3.803 5.618 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -43.935 -2.986 4.234 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -44.576 -7.007 4.866 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -43.393 -6.096 5.810 1.00 5.66 H new ATOM 547 N TRP A 38 -42.422 -2.757 1.730 1.00 3.97 N ATOM 548 CA TRP A 38 -42.636 -2.677 0.296 1.00 4.01 C ATOM 549 C TRP A 38 -41.385 -3.142 -0.451 1.00 3.81 C ATOM 550 O TRP A 38 -41.472 -3.729 -1.536 1.00 4.02 O ATOM 551 CB TRP A 38 -43.018 -1.244 -0.112 1.00 3.96 C ATOM 552 CG TRP A 38 -43.978 -1.196 -1.260 1.00 4.29 C ATOM 553 CD1 TRP A 38 -43.716 -0.819 -2.548 1.00 4.58 C ATOM 554 CD2 TRP A 38 -45.365 -1.554 -1.220 1.00 4.67 C ATOM 555 NE1 TRP A 38 -44.861 -0.903 -3.304 1.00 4.88 N ATOM 556 CE2 TRP A 38 -45.885 -1.359 -2.512 1.00 4.93 C ATOM 557 CE3 TRP A 38 -46.217 -2.021 -0.211 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -47.219 -1.611 -2.822 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -47.541 -2.271 -0.521 1.00 5.81 C ATOM 560 CH2 TRP A 38 -48.029 -2.068 -1.817 1.00 5.87 C ATOM 0 H TRP A 38 -42.455 -1.860 2.215 1.00 3.97 H new ATOM 0 HA TRP A 38 -43.461 -3.336 0.027 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -43.459 -0.734 0.744 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -42.115 -0.695 -0.379 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -42.752 -0.502 -2.917 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -44.937 -0.665 -4.293 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -45.847 -2.183 0.791 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -47.601 -1.452 -3.820 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -48.209 -2.628 0.249 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -49.067 -2.276 -2.029 1.00 5.87 H new ATOM 571 N ILE A 39 -40.220 -2.901 0.146 1.00 3.49 N ATOM 572 CA ILE A 39 -38.963 -3.310 -0.460 1.00 3.34 C ATOM 573 C ILE A 39 -38.737 -4.812 -0.286 1.00 3.60 C ATOM 574 O ILE A 39 -38.285 -5.481 -1.209 1.00 3.69 O ATOM 575 CB ILE A 39 -37.755 -2.496 0.084 1.00 3.04 C ATOM 576 CG1 ILE A 39 -36.754 -2.250 -1.044 1.00 2.98 C ATOM 577 CG2 ILE A 39 -37.052 -3.195 1.245 1.00 3.21 C ATOM 578 CD1 ILE A 39 -37.367 -1.581 -2.248 1.00 3.10 C ATOM 0 H ILE A 39 -40.124 -2.427 1.044 1.00 3.49 H new ATOM 0 HA ILE A 39 -39.036 -3.095 -1.526 1.00 3.34 H new ATOM 0 HB ILE A 39 -38.145 -1.551 0.461 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -35.939 -1.631 -0.669 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -36.318 -3.202 -1.348 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -36.217 -2.583 1.586 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -37.756 -3.337 2.065 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -36.680 -4.165 0.914 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -36.603 -1.435 -3.012 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -38.164 -2.209 -2.647 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -37.778 -0.614 -1.957 1.00 3.10 H new ATOM 590 N ILE A 40 -39.079 -5.348 0.883 1.00 3.82 N ATOM 591 CA ILE A 40 -38.908 -6.773 1.133 1.00 4.18 C ATOM 592 C ILE A 40 -39.921 -7.591 0.341 1.00 4.46 C ATOM 593 O ILE A 40 -39.787 -8.802 0.190 1.00 4.72 O ATOM 594 CB ILE A 40 -38.958 -7.111 2.639 1.00 4.46 C ATOM 595 CG1 ILE A 40 -40.296 -6.742 3.288 1.00 4.61 C ATOM 596 CG2 ILE A 40 -37.811 -6.412 3.356 1.00 4.32 C ATOM 597 CD1 ILE A 40 -41.358 -7.813 3.149 1.00 5.04 C ATOM 0 H ILE A 40 -39.472 -4.822 1.664 1.00 3.82 H new ATOM 0 HA ILE A 40 -37.911 -7.045 0.786 1.00 4.18 H new ATOM 0 HB ILE A 40 -38.855 -8.192 2.734 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -40.133 -6.541 4.347 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -40.664 -5.818 2.841 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -37.847 -6.651 4.419 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -36.862 -6.750 2.940 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -37.902 -5.334 3.223 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -42.276 -7.480 3.633 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -41.551 -7.999 2.092 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -41.012 -8.732 3.622 1.00 5.04 H new ATOM 609 N VAL A 41 -40.948 -6.914 -0.139 1.00 4.47 N ATOM 610 CA VAL A 41 -41.861 -7.491 -1.116 1.00 4.80 C ATOM 611 C VAL A 41 -41.238 -7.441 -2.514 1.00 4.72 C ATOM 612 O VAL A 41 -41.365 -8.381 -3.297 1.00 5.04 O ATOM 613 CB VAL A 41 -43.225 -6.760 -1.123 1.00 4.99 C ATOM 614 CG1 VAL A 41 -44.116 -7.275 -2.244 1.00 5.34 C ATOM 615 CG2 VAL A 41 -43.923 -6.925 0.219 1.00 5.37 C ATOM 0 H VAL A 41 -41.174 -5.957 0.133 1.00 4.47 H new ATOM 0 HA VAL A 41 -42.036 -8.529 -0.832 1.00 4.80 H new ATOM 0 HB VAL A 41 -43.037 -5.700 -1.296 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -45.068 -6.744 -2.225 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -43.626 -7.109 -3.204 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -44.293 -8.342 -2.107 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -44.881 -6.405 0.197 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -44.090 -7.984 0.415 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -43.299 -6.504 1.008 1.00 5.37 H new ATOM 625 N HIS A 42 -40.540 -6.349 -2.814 1.00 4.36 N ATOM 626 CA HIS A 42 -39.915 -6.173 -4.126 1.00 4.38 C ATOM 627 C HIS A 42 -38.510 -6.775 -4.178 1.00 4.19 C ATOM 628 O HIS A 42 -37.811 -6.633 -5.177 1.00 4.21 O ATOM 629 CB HIS A 42 -39.847 -4.689 -4.501 1.00 4.29 C ATOM 630 CG HIS A 42 -41.133 -4.137 -5.038 1.00 4.59 C ATOM 631 ND1 HIS A 42 -42.153 -3.680 -4.234 1.00 4.88 N ATOM 632 CD2 HIS A 42 -41.560 -3.975 -6.312 1.00 5.00 C ATOM 633 CE1 HIS A 42 -43.150 -3.260 -4.991 1.00 5.32 C ATOM 634 NE2 HIS A 42 -42.815 -3.428 -6.254 1.00 5.35 N ATOM 0 H HIS A 42 -40.392 -5.573 -2.169 1.00 4.36 H new ATOM 0 HA HIS A 42 -40.540 -6.703 -4.845 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -39.556 -4.115 -3.621 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -39.064 -4.548 -5.246 1.00 4.29 H new ATOM 0 HD1 HIS A 42 -42.140 -3.668 -3.214 1.00 4.88 H new ATOM 0 HD2 HIS A 42 -41.013 -4.230 -7.208 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -44.083 -2.848 -4.635 1.00 5.32 H new ATOM 643 N MET A 43 -38.097 -7.438 -3.106 1.00 4.14 N ATOM 644 CA MET A 43 -36.788 -8.094 -3.075 1.00 4.14 C ATOM 645 C MET A 43 -36.679 -9.172 -4.151 1.00 4.46 C ATOM 646 O MET A 43 -35.577 -9.530 -4.570 1.00 4.53 O ATOM 647 CB MET A 43 -36.504 -8.688 -1.687 1.00 4.26 C ATOM 648 CG MET A 43 -37.453 -9.801 -1.258 1.00 4.64 C ATOM 649 SD MET A 43 -37.075 -11.402 -2.002 1.00 4.92 S ATOM 650 CE MET A 43 -38.414 -12.392 -1.341 1.00 5.73 C ATOM 0 H MET A 43 -38.642 -7.538 -2.250 1.00 4.14 H new ATOM 0 HA MET A 43 -36.036 -7.333 -3.285 1.00 4.14 H new ATOM 0 HB2 MET A 43 -35.485 -9.075 -1.675 1.00 4.26 H new ATOM 0 HB3 MET A 43 -36.550 -7.887 -0.949 1.00 4.26 H new ATOM 0 HG2 MET A 43 -37.419 -9.897 -0.173 1.00 4.64 H new ATOM 0 HG3 MET A 43 -38.472 -9.519 -1.521 1.00 4.64 H new ATOM 0 HE1 MET A 43 -38.325 -13.415 -1.707 1.00 5.73 H new ATOM 0 HE2 MET A 43 -38.364 -12.391 -0.252 1.00 5.73 H new ATOM 0 HE3 MET A 43 -39.368 -11.973 -1.661 1.00 5.73 H new ATOM 1066 N GLN A 76 23.269 1.020 3.425 1.00 5.05 N ATOM 1067 CA GLN A 76 24.609 1.489 3.655 1.00 4.93 C ATOM 1068 C GLN A 76 25.379 0.425 4.421 1.00 4.67 C ATOM 1069 O GLN A 76 24.856 -0.154 5.379 1.00 4.88 O ATOM 1070 CB GLN A 76 24.616 2.801 4.448 1.00 5.47 C ATOM 1071 CG GLN A 76 25.996 3.432 4.545 1.00 5.74 C ATOM 1072 CD GLN A 76 26.110 4.454 5.664 1.00 6.61 C ATOM 1073 OE1 GLN A 76 26.881 5.411 5.569 1.00 7.14 O ATOM 1074 NE2 GLN A 76 25.351 4.254 6.734 1.00 7.04 N ATOM 0 HA GLN A 76 25.080 1.679 2.691 1.00 4.93 H new ATOM 0 HB2 GLN A 76 23.932 3.507 3.977 1.00 5.47 H new ATOM 0 HB3 GLN A 76 24.237 2.613 5.453 1.00 5.47 H new ATOM 0 HG2 GLN A 76 26.737 2.648 4.701 1.00 5.74 H new ATOM 0 HG3 GLN A 76 26.236 3.913 3.597 1.00 5.74 H new ATOM 0 HE21 GLN A 76 24.726 3.449 6.773 1.00 7.04 H new ATOM 0 HE22 GLN A 76 25.393 4.905 7.518 1.00 7.04 H new ATOM 1083 N PRO A 77 26.614 0.134 3.995 1.00 4.45 N ATOM 1084 CA PRO A 77 27.512 -0.769 4.715 1.00 4.52 C ATOM 1085 C PRO A 77 27.639 -0.384 6.182 1.00 5.11 C ATOM 1086 O PRO A 77 27.326 0.743 6.565 1.00 5.41 O ATOM 1087 CB PRO A 77 28.845 -0.565 4.008 1.00 4.27 C ATOM 1088 CG PRO A 77 28.482 -0.173 2.635 1.00 4.17 C ATOM 1089 CD PRO A 77 27.235 0.648 2.764 1.00 4.44 C ATOM 0 HA PRO A 77 27.158 -1.800 4.707 1.00 4.52 H new ATOM 0 HB2 PRO A 77 29.439 0.207 4.497 1.00 4.27 H new ATOM 0 HB3 PRO A 77 29.441 -1.478 4.015 1.00 4.27 H new ATOM 0 HG2 PRO A 77 29.282 0.401 2.167 1.00 4.17 H new ATOM 0 HG3 PRO A 77 28.311 -1.049 2.010 1.00 4.17 H new ATOM 0 HD2 PRO A 77 27.460 1.712 2.842 1.00 4.44 H new ATOM 0 HD3 PRO A 77 26.581 0.523 1.901 1.00 4.44 H new ATOM 1097 N PRO A 78 28.120 -1.309 7.019 1.00 5.63 N ATOM 1098 CA PRO A 78 28.237 -1.082 8.454 1.00 6.52 C ATOM 1099 C PRO A 78 29.163 0.079 8.752 1.00 6.80 C ATOM 1100 O PRO A 78 30.369 -0.007 8.528 1.00 6.74 O ATOM 1101 CB PRO A 78 28.815 -2.398 8.984 1.00 7.14 C ATOM 1102 CG PRO A 78 29.460 -3.027 7.803 1.00 6.55 C ATOM 1103 CD PRO A 78 28.629 -2.629 6.628 1.00 5.69 C ATOM 0 HA PRO A 78 27.285 -0.822 8.917 1.00 6.52 H new ATOM 0 HB2 PRO A 78 29.536 -2.221 9.782 1.00 7.14 H new ATOM 0 HB3 PRO A 78 28.034 -3.037 9.396 1.00 7.14 H new ATOM 0 HG2 PRO A 78 30.488 -2.684 7.689 1.00 6.55 H new ATOM 0 HG3 PRO A 78 29.496 -4.111 7.908 1.00 6.55 H new ATOM 0 HD2 PRO A 78 29.220 -2.580 5.713 1.00 5.69 H new ATOM 0 HD3 PRO A 78 27.820 -3.337 6.447 1.00 5.69 H new ATOM 1111 N GLU A 79 28.583 1.170 9.232 1.00 7.24 N ATOM 1112 CA GLU A 79 29.334 2.370 9.563 1.00 7.85 C ATOM 1113 C GLU A 79 30.439 2.074 10.567 1.00 8.62 C ATOM 1114 O GLU A 79 31.445 2.774 10.613 1.00 8.98 O ATOM 1115 CB GLU A 79 28.400 3.448 10.098 1.00 8.51 C ATOM 1116 CG GLU A 79 27.240 2.909 10.916 1.00 9.18 C ATOM 1117 CD GLU A 79 26.678 3.928 11.881 1.00 9.68 C ATOM 1118 OE1 GLU A 79 26.121 4.947 11.427 1.00 9.76 O ATOM 1119 OE2 GLU A 79 26.803 3.717 13.106 1.00 10.13 O ATOM 0 H GLU A 79 27.580 1.247 9.402 1.00 7.24 H new ATOM 0 HA GLU A 79 29.805 2.734 8.650 1.00 7.85 H new ATOM 0 HB2 GLU A 79 28.975 4.140 10.714 1.00 8.51 H new ATOM 0 HB3 GLU A 79 28.005 4.021 9.259 1.00 8.51 H new ATOM 0 HG2 GLU A 79 26.449 2.579 10.242 1.00 9.18 H new ATOM 0 HG3 GLU A 79 27.571 2.032 11.473 1.00 9.18 H new ATOM 1126 N GLU A 80 30.239 1.043 11.370 1.00 9.00 N ATOM 1127 CA GLU A 80 31.287 0.541 12.240 1.00 9.80 C ATOM 1128 C GLU A 80 32.491 0.107 11.412 1.00 9.30 C ATOM 1129 O GLU A 80 33.612 0.547 11.651 1.00 9.74 O ATOM 1130 CB GLU A 80 30.742 -0.627 13.067 1.00 10.33 C ATOM 1131 CG GLU A 80 31.776 -1.682 13.422 1.00 10.80 C ATOM 1132 CD GLU A 80 31.180 -2.828 14.211 1.00 11.40 C ATOM 1133 OE1 GLU A 80 30.549 -3.717 13.599 1.00 11.61 O ATOM 1134 OE2 GLU A 80 31.335 -2.849 15.448 1.00 11.78 O ATOM 0 H GLU A 80 29.357 0.536 11.437 1.00 9.00 H new ATOM 0 HA GLU A 80 31.611 1.331 12.918 1.00 9.80 H new ATOM 0 HB2 GLU A 80 30.311 -0.234 13.988 1.00 10.33 H new ATOM 0 HB3 GLU A 80 29.932 -1.102 12.513 1.00 10.33 H new ATOM 0 HG2 GLU A 80 32.226 -2.069 12.508 1.00 10.80 H new ATOM 0 HG3 GLU A 80 32.577 -1.222 14.002 1.00 10.80 H new ATOM 1141 N ILE A 81 32.241 -0.721 10.411 1.00 8.42 N ATOM 1142 CA ILE A 81 33.307 -1.269 9.596 1.00 7.96 C ATOM 1143 C ILE A 81 33.871 -0.241 8.632 1.00 7.34 C ATOM 1144 O ILE A 81 35.086 -0.165 8.467 1.00 7.45 O ATOM 1145 CB ILE A 81 32.853 -2.508 8.815 1.00 7.44 C ATOM 1146 CG1 ILE A 81 32.566 -3.661 9.776 1.00 8.39 C ATOM 1147 CG2 ILE A 81 33.917 -2.897 7.806 1.00 6.94 C ATOM 1148 CD1 ILE A 81 32.045 -4.903 9.089 1.00 8.28 C ATOM 0 H ILE A 81 31.305 -1.028 10.145 1.00 8.42 H new ATOM 0 HA ILE A 81 34.094 -1.564 10.290 1.00 7.96 H new ATOM 0 HB ILE A 81 31.933 -2.278 8.278 1.00 7.44 H new ATOM 0 HG12 ILE A 81 33.480 -3.910 10.315 1.00 8.39 H new ATOM 0 HG13 ILE A 81 31.838 -3.333 10.517 1.00 8.39 H new ATOM 0 HG21 ILE A 81 33.590 -3.778 7.254 1.00 6.94 H new ATOM 0 HG22 ILE A 81 34.079 -2.073 7.112 1.00 6.94 H new ATOM 0 HG23 ILE A 81 34.848 -3.121 8.327 1.00 6.94 H new ATOM 0 HD11 ILE A 81 31.863 -5.680 9.831 1.00 8.28 H new ATOM 0 HD12 ILE A 81 31.114 -4.670 8.572 1.00 8.28 H new ATOM 0 HD13 ILE A 81 32.782 -5.256 8.367 1.00 8.28 H new ATOM 1160 N VAL A 82 33.008 0.553 7.999 1.00 6.83 N ATOM 1161 CA VAL A 82 33.489 1.579 7.087 1.00 6.55 C ATOM 1162 C VAL A 82 34.463 2.475 7.841 1.00 7.54 C ATOM 1163 O VAL A 82 35.497 2.875 7.312 1.00 7.57 O ATOM 1164 CB VAL A 82 32.345 2.428 6.474 1.00 6.32 C ATOM 1165 CG1 VAL A 82 31.264 1.545 5.875 1.00 5.50 C ATOM 1166 CG2 VAL A 82 31.753 3.391 7.489 1.00 7.25 C ATOM 0 H VAL A 82 31.994 0.505 8.100 1.00 6.83 H new ATOM 0 HA VAL A 82 33.982 1.084 6.251 1.00 6.55 H new ATOM 0 HB VAL A 82 32.782 3.022 5.671 1.00 6.32 H new ATOM 0 HG11 VAL A 82 30.476 2.169 5.453 1.00 5.50 H new ATOM 0 HG12 VAL A 82 31.695 0.925 5.089 1.00 5.50 H new ATOM 0 HG13 VAL A 82 30.844 0.906 6.652 1.00 5.50 H new ATOM 0 HG21 VAL A 82 30.955 3.967 7.021 1.00 7.25 H new ATOM 0 HG22 VAL A 82 31.349 2.829 8.331 1.00 7.25 H new ATOM 0 HG23 VAL A 82 32.530 4.068 7.844 1.00 7.25 H new ATOM 1176 N ALA A 83 34.125 2.727 9.106 1.00 8.43 N ATOM 1177 CA ALA A 83 34.951 3.486 10.021 1.00 9.53 C ATOM 1178 C ALA A 83 36.291 2.799 10.234 1.00 9.70 C ATOM 1179 O ALA A 83 37.341 3.428 10.136 1.00 10.09 O ATOM 1180 CB ALA A 83 34.218 3.621 11.339 1.00 10.39 C ATOM 0 H ALA A 83 33.253 2.400 9.522 1.00 8.43 H new ATOM 0 HA ALA A 83 35.144 4.473 9.600 1.00 9.53 H new ATOM 0 HB1 ALA A 83 34.829 4.191 12.039 1.00 10.39 H new ATOM 0 HB2 ALA A 83 33.272 4.139 11.178 1.00 10.39 H new ATOM 0 HB3 ALA A 83 34.024 2.631 11.751 1.00 10.39 H new ATOM 1186 N ILE A 84 36.249 1.503 10.516 1.00 9.53 N ATOM 1187 CA ILE A 84 37.461 0.719 10.724 1.00 9.80 C ATOM 1188 C ILE A 84 38.345 0.762 9.482 1.00 9.04 C ATOM 1189 O ILE A 84 39.558 0.924 9.576 1.00 9.43 O ATOM 1190 CB ILE A 84 37.112 -0.750 11.060 1.00 9.84 C ATOM 1191 CG1 ILE A 84 36.368 -0.819 12.396 1.00 10.78 C ATOM 1192 CG2 ILE A 84 38.372 -1.606 11.103 1.00 10.13 C ATOM 1193 CD1 ILE A 84 35.384 -1.958 12.490 1.00 10.71 C ATOM 0 H ILE A 84 35.384 0.970 10.606 1.00 9.53 H new ATOM 0 HA ILE A 84 38.002 1.155 11.564 1.00 9.80 H new ATOM 0 HB ILE A 84 36.463 -1.143 10.277 1.00 9.84 H new ATOM 0 HG12 ILE A 84 37.096 -0.914 13.202 1.00 10.78 H new ATOM 0 HG13 ILE A 84 35.838 0.120 12.554 1.00 10.78 H new ATOM 0 HG21 ILE A 84 38.104 -2.636 11.341 1.00 10.13 H new ATOM 0 HG22 ILE A 84 38.866 -1.575 10.132 1.00 10.13 H new ATOM 0 HG23 ILE A 84 39.048 -1.221 11.867 1.00 10.13 H new ATOM 0 HD11 ILE A 84 34.898 -1.939 13.465 1.00 10.71 H new ATOM 0 HD12 ILE A 84 34.632 -1.855 11.708 1.00 10.71 H new ATOM 0 HD13 ILE A 84 35.910 -2.904 12.365 1.00 10.71 H new ATOM 1205 N ILE A 85 37.719 0.654 8.321 1.00 8.01 N ATOM 1206 CA ILE A 85 38.436 0.636 7.062 1.00 7.27 C ATOM 1207 C ILE A 85 39.138 1.963 6.791 1.00 7.66 C ATOM 1208 O ILE A 85 40.316 1.988 6.436 1.00 7.73 O ATOM 1209 CB ILE A 85 37.493 0.304 5.904 1.00 6.22 C ATOM 1210 CG1 ILE A 85 36.856 -1.063 6.139 1.00 6.07 C ATOM 1211 CG2 ILE A 85 38.244 0.342 4.584 1.00 5.61 C ATOM 1212 CD1 ILE A 85 35.763 -1.408 5.157 1.00 5.25 C ATOM 0 H ILE A 85 36.706 0.577 8.228 1.00 8.01 H new ATOM 0 HA ILE A 85 39.196 -0.141 7.139 1.00 7.27 H new ATOM 0 HB ILE A 85 36.701 1.051 5.856 1.00 6.22 H new ATOM 0 HG12 ILE A 85 37.631 -1.827 6.087 1.00 6.07 H new ATOM 0 HG13 ILE A 85 36.446 -1.093 7.149 1.00 6.07 H new ATOM 0 HG21 ILE A 85 37.560 0.104 3.769 1.00 5.61 H new ATOM 0 HG22 ILE A 85 38.659 1.338 4.430 1.00 5.61 H new ATOM 0 HG23 ILE A 85 39.053 -0.389 4.604 1.00 5.61 H new ATOM 0 HD11 ILE A 85 35.361 -2.394 5.391 1.00 5.25 H new ATOM 0 HD12 ILE A 85 34.967 -0.667 5.224 1.00 5.25 H new ATOM 0 HD13 ILE A 85 36.170 -1.413 4.146 1.00 5.25 H new ATOM 1224 N THR A 86 38.426 3.068 6.965 1.00 8.07 N ATOM 1225 CA THR A 86 39.042 4.375 6.786 1.00 8.77 C ATOM 1226 C THR A 86 40.050 4.664 7.904 1.00 9.82 C ATOM 1227 O THR A 86 40.965 5.468 7.732 1.00 10.38 O ATOM 1228 CB THR A 86 38.005 5.522 6.635 1.00 9.14 C ATOM 1229 OG1 THR A 86 38.634 6.803 6.774 1.00 10.16 O ATOM 1230 CG2 THR A 86 36.861 5.402 7.620 1.00 9.36 C ATOM 0 H THR A 86 37.440 3.087 7.225 1.00 8.07 H new ATOM 0 HA THR A 86 39.584 4.339 5.841 1.00 8.77 H new ATOM 0 HB THR A 86 37.588 5.432 5.632 1.00 9.14 H new ATOM 0 HG1 THR A 86 39.339 6.896 6.100 1.00 10.16 H new ATOM 0 HG21 THR A 86 36.165 6.228 7.472 1.00 9.36 H new ATOM 0 HG22 THR A 86 36.342 4.457 7.461 1.00 9.36 H new ATOM 0 HG23 THR A 86 37.252 5.435 8.637 1.00 9.36 H new ATOM 1238 N SER A 87 39.902 3.977 9.035 1.00 10.16 N ATOM 1239 CA SER A 87 40.899 4.040 10.098 1.00 11.17 C ATOM 1240 C SER A 87 42.170 3.297 9.683 1.00 10.93 C ATOM 1241 O SER A 87 43.276 3.669 10.079 1.00 11.68 O ATOM 1242 CB SER A 87 40.342 3.443 11.388 1.00 11.77 C ATOM 1243 OG SER A 87 39.191 4.146 11.818 1.00 12.35 O ATOM 0 H SER A 87 39.105 3.374 9.237 1.00 10.16 H new ATOM 0 HA SER A 87 41.146 5.087 10.274 1.00 11.17 H new ATOM 0 HB2 SER A 87 40.093 2.394 11.229 1.00 11.77 H new ATOM 0 HB3 SER A 87 41.104 3.476 12.167 1.00 11.77 H new ATOM 0 HG SER A 87 38.513 4.127 11.111 1.00 12.35 H new ATOM 1249 N MET A 88 41.994 2.246 8.877 1.00 9.91 N ATOM 1250 CA MET A 88 43.115 1.472 8.338 1.00 9.62 C ATOM 1251 C MET A 88 43.953 2.330 7.407 1.00 9.52 C ATOM 1252 O MET A 88 45.125 2.048 7.159 1.00 9.66 O ATOM 1253 CB MET A 88 42.604 0.256 7.565 1.00 8.63 C ATOM 1254 CG MET A 88 41.918 -0.784 8.430 1.00 8.93 C ATOM 1255 SD MET A 88 43.009 -1.461 9.695 1.00 10.15 S ATOM 1256 CE MET A 88 44.226 -2.295 8.680 1.00 10.33 C ATOM 0 H MET A 88 41.077 1.910 8.582 1.00 9.91 H new ATOM 0 HA MET A 88 43.726 1.139 9.177 1.00 9.62 H new ATOM 0 HB2 MET A 88 41.906 0.593 6.799 1.00 8.63 H new ATOM 0 HB3 MET A 88 43.443 -0.212 7.049 1.00 8.63 H new ATOM 0 HG2 MET A 88 41.047 -0.336 8.908 1.00 8.93 H new ATOM 0 HG3 MET A 88 41.554 -1.594 7.798 1.00 8.93 H new ATOM 0 HE1 MET A 88 44.786 -3.003 9.291 1.00 10.33 H new ATOM 0 HE2 MET A 88 43.723 -2.829 7.874 1.00 10.33 H new ATOM 0 HE3 MET A 88 44.911 -1.561 8.256 1.00 10.33 H new ATOM 1266 N GLY A 89 43.331 3.371 6.881 1.00 9.41 N ATOM 1267 CA GLY A 89 44.017 4.278 5.995 1.00 9.53 C ATOM 1268 C GLY A 89 43.279 4.463 4.689 1.00 8.82 C ATOM 1269 O GLY A 89 43.764 5.142 3.783 1.00 9.04 O ATOM 0 H GLY A 89 42.353 3.604 7.055 1.00 9.41 H new ATOM 0 HA2 GLY A 89 44.133 5.245 6.485 1.00 9.53 H new ATOM 0 HA3 GLY A 89 45.019 3.900 5.794 1.00 9.53 H new ATOM 1273 N PHE A 90 42.106 3.854 4.591 1.00 8.10 N ATOM 1274 CA PHE A 90 41.294 3.944 3.392 1.00 7.50 C ATOM 1275 C PHE A 90 40.247 5.038 3.543 1.00 8.05 C ATOM 1276 O PHE A 90 40.255 5.778 4.529 1.00 8.89 O ATOM 1277 CB PHE A 90 40.638 2.589 3.117 1.00 6.45 C ATOM 1278 CG PHE A 90 41.653 1.493 2.923 1.00 6.07 C ATOM 1279 CD1 PHE A 90 42.666 1.620 1.985 1.00 6.07 C ATOM 1280 CD2 PHE A 90 41.584 0.326 3.672 1.00 5.98 C ATOM 1281 CE1 PHE A 90 43.589 0.607 1.800 1.00 5.89 C ATOM 1282 CE2 PHE A 90 42.503 -0.688 3.487 1.00 5.84 C ATOM 1283 CZ PHE A 90 43.547 -0.515 2.581 1.00 5.76 C ATOM 0 H PHE A 90 41.696 3.289 5.335 1.00 8.10 H new ATOM 0 HA PHE A 90 41.927 4.204 2.544 1.00 7.50 H new ATOM 0 HB2 PHE A 90 39.981 2.330 3.947 1.00 6.45 H new ATOM 0 HB3 PHE A 90 40.013 2.664 2.227 1.00 6.45 H new ATOM 0 HD1 PHE A 90 42.735 2.520 1.392 1.00 6.07 H new ATOM 0 HD2 PHE A 90 40.802 0.210 4.408 1.00 5.98 H new ATOM 0 HE1 PHE A 90 44.346 0.702 1.036 1.00 5.89 H new ATOM 0 HE2 PHE A 90 42.413 -1.610 4.042 1.00 5.84 H new ATOM 0 HZ PHE A 90 44.320 -1.264 2.496 1.00 5.76 H new ATOM 1293 N GLN A 91 39.370 5.151 2.567 1.00 7.71 N ATOM 1294 CA GLN A 91 38.294 6.122 2.631 1.00 8.28 C ATOM 1295 C GLN A 91 37.034 5.452 3.156 1.00 7.66 C ATOM 1296 O GLN A 91 36.826 4.267 2.921 1.00 6.72 O ATOM 1297 CB GLN A 91 38.022 6.708 1.248 1.00 8.59 C ATOM 1298 CG GLN A 91 37.777 8.204 1.259 1.00 9.30 C ATOM 1299 CD GLN A 91 37.186 8.717 -0.041 1.00 9.79 C ATOM 1300 OE1 GLN A 91 37.396 8.140 -1.109 1.00 10.05 O ATOM 1301 NE2 GLN A 91 36.448 9.811 0.045 1.00 10.16 N ATOM 0 H GLN A 91 39.380 4.583 1.720 1.00 7.71 H new ATOM 0 HA GLN A 91 38.588 6.928 3.303 1.00 8.28 H new ATOM 0 HB2 GLN A 91 38.870 6.492 0.598 1.00 8.59 H new ATOM 0 HB3 GLN A 91 37.154 6.210 0.816 1.00 8.59 H new ATOM 0 HG2 GLN A 91 37.104 8.450 2.080 1.00 9.30 H new ATOM 0 HG3 GLN A 91 38.718 8.719 1.453 1.00 9.30 H new ATOM 0 HE21 GLN A 91 36.300 10.256 0.951 1.00 10.16 H new ATOM 0 HE22 GLN A 91 36.027 10.209 -0.794 1.00 10.16 H new ATOM 1310 N ARG A 92 36.205 6.199 3.867 1.00 8.25 N ATOM 1311 CA ARG A 92 34.935 5.677 4.364 1.00 7.79 C ATOM 1312 C ARG A 92 34.075 5.200 3.201 1.00 7.08 C ATOM 1313 O ARG A 92 33.588 4.075 3.191 1.00 6.21 O ATOM 1314 CB ARG A 92 34.183 6.763 5.118 1.00 8.69 C ATOM 1315 CG ARG A 92 32.841 6.314 5.645 1.00 8.30 C ATOM 1316 CD ARG A 92 31.810 7.405 5.471 1.00 8.98 C ATOM 1317 NE ARG A 92 32.210 8.665 6.100 1.00 10.14 N ATOM 1318 CZ ARG A 92 31.741 9.855 5.718 1.00 10.93 C ATOM 1319 NH1 ARG A 92 30.735 9.921 4.858 1.00 10.74 N ATOM 1320 NH2 ARG A 92 32.251 10.975 6.214 1.00 11.98 N ATOM 0 H ARG A 92 36.386 7.172 4.115 1.00 8.25 H new ATOM 0 HA ARG A 92 35.143 4.842 5.033 1.00 7.79 H new ATOM 0 HB2 ARG A 92 34.796 7.105 5.952 1.00 8.69 H new ATOM 0 HB3 ARG A 92 34.037 7.618 4.458 1.00 8.69 H new ATOM 0 HG2 ARG A 92 32.520 5.415 5.119 1.00 8.30 H new ATOM 0 HG3 ARG A 92 32.927 6.052 6.700 1.00 8.30 H new ATOM 0 HD2 ARG A 92 31.640 7.572 4.407 1.00 8.98 H new ATOM 0 HD3 ARG A 92 30.863 7.075 5.897 1.00 8.98 H new ATOM 0 HE ARG A 92 32.880 8.632 6.868 1.00 10.14 H new ATOM 0 HH11 ARG A 92 30.322 9.064 4.490 1.00 10.74 H new ATOM 0 HH12 ARG A 92 30.374 10.829 4.564 1.00 10.74 H new ATOM 0 HH21 ARG A 92 33.010 10.932 6.895 1.00 11.98 H new ATOM 0 HH22 ARG A 92 31.885 11.879 5.915 1.00 11.98 H new ATOM 1334 N ASN A 93 33.895 6.080 2.228 1.00 7.66 N ATOM 1335 CA ASN A 93 33.107 5.781 1.031 1.00 7.40 C ATOM 1336 C ASN A 93 33.715 4.626 0.245 1.00 6.66 C ATOM 1337 O ASN A 93 32.998 3.803 -0.333 1.00 6.20 O ATOM 1338 CB ASN A 93 33.020 7.024 0.151 1.00 8.50 C ATOM 1339 CG ASN A 93 32.268 6.779 -1.145 1.00 8.62 C ATOM 1340 OD1 ASN A 93 32.863 6.410 -2.160 1.00 8.59 O ATOM 1341 ND2 ASN A 93 30.961 6.988 -1.125 1.00 9.02 N ATOM 0 H ASN A 93 34.288 7.021 2.241 1.00 7.66 H new ATOM 0 HA ASN A 93 32.106 5.484 1.344 1.00 7.40 H new ATOM 0 HB2 ASN A 93 32.527 7.822 0.706 1.00 8.50 H new ATOM 0 HB3 ASN A 93 34.027 7.371 -0.079 1.00 8.50 H new ATOM 0 HD21 ASN A 93 30.408 6.844 -1.970 1.00 9.02 H new ATOM 0 HD22 ASN A 93 30.506 7.293 -0.264 1.00 9.02 H new ATOM 1348 N GLN A 94 35.036 4.574 0.239 1.00 6.68 N ATOM 1349 CA GLN A 94 35.760 3.481 -0.393 1.00 6.08 C ATOM 1350 C GLN A 94 35.485 2.189 0.356 1.00 5.11 C ATOM 1351 O GLN A 94 35.317 1.127 -0.243 1.00 4.70 O ATOM 1352 CB GLN A 94 37.258 3.799 -0.431 1.00 6.39 C ATOM 1353 CG GLN A 94 38.174 2.590 -0.562 1.00 5.72 C ATOM 1354 CD GLN A 94 39.558 2.977 -1.040 1.00 6.13 C ATOM 1355 OE1 GLN A 94 40.440 3.285 -0.240 1.00 6.28 O ATOM 1356 NE2 GLN A 94 39.753 2.982 -2.349 1.00 6.56 N ATOM 0 H GLN A 94 35.634 5.281 0.668 1.00 6.68 H new ATOM 0 HA GLN A 94 35.419 3.358 -1.421 1.00 6.08 H new ATOM 0 HB2 GLN A 94 37.449 4.472 -1.267 1.00 6.39 H new ATOM 0 HB3 GLN A 94 37.522 4.338 0.479 1.00 6.39 H new ATOM 0 HG2 GLN A 94 38.251 2.087 0.402 1.00 5.72 H new ATOM 0 HG3 GLN A 94 37.736 1.877 -1.260 1.00 5.72 H new ATOM 0 HE21 GLN A 94 38.995 2.720 -2.979 1.00 6.56 H new ATOM 0 HE22 GLN A 94 40.662 3.248 -2.728 1.00 6.56 H new ATOM 1365 N ALA A 95 35.412 2.306 1.675 1.00 5.10 N ATOM 1366 CA ALA A 95 35.041 1.202 2.532 1.00 4.58 C ATOM 1367 C ALA A 95 33.613 0.758 2.242 1.00 4.24 C ATOM 1368 O ALA A 95 33.323 -0.437 2.211 1.00 3.93 O ATOM 1369 CB ALA A 95 35.194 1.625 3.981 1.00 5.22 C ATOM 0 H ALA A 95 35.610 3.172 2.176 1.00 5.10 H new ATOM 0 HA ALA A 95 35.697 0.353 2.338 1.00 4.58 H new ATOM 0 HB1 ALA A 95 34.916 0.797 4.633 1.00 5.22 H new ATOM 0 HB2 ALA A 95 36.230 1.904 4.171 1.00 5.22 H new ATOM 0 HB3 ALA A 95 34.546 2.478 4.181 1.00 5.22 H new ATOM 1375 N ILE A 96 32.725 1.730 2.011 1.00 4.61 N ATOM 1376 CA ILE A 96 31.339 1.435 1.670 1.00 4.48 C ATOM 1377 C ILE A 96 31.258 0.593 0.402 1.00 4.45 C ATOM 1378 O ILE A 96 30.637 -0.469 0.390 1.00 4.33 O ATOM 1379 CB ILE A 96 30.493 2.724 1.492 1.00 5.19 C ATOM 1380 CG1 ILE A 96 30.002 3.224 2.847 1.00 5.44 C ATOM 1381 CG2 ILE A 96 29.311 2.481 0.569 1.00 5.34 C ATOM 1382 CD1 ILE A 96 30.502 4.600 3.202 1.00 6.39 C ATOM 0 H ILE A 96 32.945 2.725 2.055 1.00 4.61 H new ATOM 0 HA ILE A 96 30.925 0.871 2.506 1.00 4.48 H new ATOM 0 HB ILE A 96 31.129 3.484 1.039 1.00 5.19 H new ATOM 0 HG12 ILE A 96 28.912 3.232 2.848 1.00 5.44 H new ATOM 0 HG13 ILE A 96 30.317 2.522 3.619 1.00 5.44 H new ATOM 0 HG21 ILE A 96 28.737 3.401 0.463 1.00 5.34 H new ATOM 0 HG22 ILE A 96 29.672 2.164 -0.409 1.00 5.34 H new ATOM 0 HG23 ILE A 96 28.675 1.703 0.990 1.00 5.34 H new ATOM 0 HD11 ILE A 96 30.112 4.888 4.178 1.00 6.39 H new ATOM 0 HD12 ILE A 96 31.592 4.594 3.234 1.00 6.39 H new ATOM 0 HD13 ILE A 96 30.165 5.315 2.451 1.00 6.39 H new ATOM 1394 N GLN A 97 31.910 1.062 -0.654 1.00 4.95 N ATOM 1395 CA GLN A 97 31.917 0.346 -1.928 1.00 5.42 C ATOM 1396 C GLN A 97 32.473 -1.059 -1.760 1.00 5.09 C ATOM 1397 O GLN A 97 31.925 -2.024 -2.299 1.00 5.57 O ATOM 1398 CB GLN A 97 32.737 1.091 -2.968 1.00 6.13 C ATOM 1399 CG GLN A 97 32.695 0.429 -4.335 1.00 6.88 C ATOM 1400 CD GLN A 97 33.321 1.271 -5.432 1.00 7.78 C ATOM 1401 OE1 GLN A 97 33.850 0.747 -6.412 1.00 8.13 O ATOM 1402 NE2 GLN A 97 33.272 2.583 -5.277 1.00 8.36 N ATOM 0 H GLN A 97 32.441 1.933 -0.656 1.00 4.95 H new ATOM 0 HA GLN A 97 30.884 0.282 -2.270 1.00 5.42 H new ATOM 0 HB2 GLN A 97 32.367 2.113 -3.053 1.00 6.13 H new ATOM 0 HB3 GLN A 97 33.772 1.154 -2.631 1.00 6.13 H new ATOM 0 HG2 GLN A 97 33.212 -0.529 -4.283 1.00 6.88 H new ATOM 0 HG3 GLN A 97 31.658 0.218 -4.596 1.00 6.88 H new ATOM 0 HE21 GLN A 97 32.825 2.983 -4.452 1.00 8.36 H new ATOM 0 HE22 GLN A 97 33.681 3.196 -5.983 1.00 8.36 H new ATOM 1411 N ALA A 98 33.556 -1.160 -1.010 1.00 4.57 N ATOM 1412 CA ALA A 98 34.181 -2.442 -0.744 1.00 4.55 C ATOM 1413 C ALA A 98 33.216 -3.377 -0.028 1.00 4.70 C ATOM 1414 O ALA A 98 33.020 -4.514 -0.445 1.00 5.41 O ATOM 1415 CB ALA A 98 35.443 -2.249 0.073 1.00 4.17 C ATOM 0 H ALA A 98 34.022 -0.365 -0.573 1.00 4.57 H new ATOM 0 HA ALA A 98 34.449 -2.900 -1.696 1.00 4.55 H new ATOM 0 HB1 ALA A 98 35.903 -3.218 0.266 1.00 4.17 H new ATOM 0 HB2 ALA A 98 36.141 -1.620 -0.479 1.00 4.17 H new ATOM 0 HB3 ALA A 98 35.194 -1.770 1.020 1.00 4.17 H new ATOM 1421 N LEU A 99 32.601 -2.893 1.049 1.00 4.31 N ATOM 1422 CA LEU A 99 31.631 -3.689 1.791 1.00 4.67 C ATOM 1423 C LEU A 99 30.419 -4.030 0.930 1.00 5.10 C ATOM 1424 O LEU A 99 29.861 -5.109 1.052 1.00 5.77 O ATOM 1425 CB LEU A 99 31.179 -2.961 3.049 1.00 4.44 C ATOM 1426 CG LEU A 99 32.271 -2.701 4.080 1.00 4.61 C ATOM 1427 CD1 LEU A 99 31.774 -1.753 5.143 1.00 4.82 C ATOM 1428 CD2 LEU A 99 32.721 -3.998 4.712 1.00 5.40 C ATOM 0 H LEU A 99 32.757 -1.958 1.425 1.00 4.31 H new ATOM 0 HA LEU A 99 32.125 -4.617 2.077 1.00 4.67 H new ATOM 0 HB2 LEU A 99 30.742 -2.006 2.759 1.00 4.44 H new ATOM 0 HB3 LEU A 99 30.388 -3.543 3.521 1.00 4.44 H new ATOM 0 HG LEU A 99 33.122 -2.246 3.573 1.00 4.61 H new ATOM 0 HD11 LEU A 99 32.565 -1.577 5.872 1.00 4.82 H new ATOM 0 HD12 LEU A 99 31.488 -0.807 4.682 1.00 4.82 H new ATOM 0 HD13 LEU A 99 30.909 -2.189 5.644 1.00 4.82 H new ATOM 0 HD21 LEU A 99 33.501 -3.794 5.446 1.00 5.40 H new ATOM 0 HD22 LEU A 99 31.874 -4.475 5.206 1.00 5.40 H new ATOM 0 HD23 LEU A 99 33.113 -4.662 3.941 1.00 5.40 H new ATOM 1440 N ARG A 100 30.015 -3.111 0.061 1.00 5.01 N ATOM 1441 CA ARG A 100 28.919 -3.370 -0.874 1.00 5.73 C ATOM 1442 C ARG A 100 29.191 -4.638 -1.666 1.00 6.63 C ATOM 1443 O ARG A 100 28.338 -5.515 -1.788 1.00 7.33 O ATOM 1444 CB ARG A 100 28.752 -2.206 -1.848 1.00 5.96 C ATOM 1445 CG ARG A 100 27.972 -1.033 -1.293 1.00 5.58 C ATOM 1446 CD ARG A 100 28.049 0.157 -2.229 1.00 6.19 C ATOM 1447 NE ARG A 100 27.040 1.173 -1.912 1.00 6.32 N ATOM 1448 CZ ARG A 100 27.024 2.408 -2.420 1.00 7.08 C ATOM 1449 NH1 ARG A 100 27.973 2.803 -3.260 1.00 7.71 N ATOM 1450 NH2 ARG A 100 26.048 3.248 -2.096 1.00 7.36 N ATOM 0 H ARG A 100 30.427 -2.181 -0.018 1.00 5.01 H new ATOM 0 HA ARG A 100 28.004 -3.487 -0.293 1.00 5.73 H new ATOM 0 HB2 ARG A 100 29.739 -1.859 -2.153 1.00 5.96 H new ATOM 0 HB3 ARG A 100 28.250 -2.568 -2.745 1.00 5.96 H new ATOM 0 HG2 ARG A 100 26.931 -1.320 -1.147 1.00 5.58 H new ATOM 0 HG3 ARG A 100 28.367 -0.758 -0.315 1.00 5.58 H new ATOM 0 HD2 ARG A 100 29.042 0.602 -2.169 1.00 6.19 H new ATOM 0 HD3 ARG A 100 27.913 -0.181 -3.256 1.00 6.19 H new ATOM 0 HE ARG A 100 26.299 0.919 -1.258 1.00 6.32 H new ATOM 0 HH11 ARG A 100 28.722 2.162 -3.522 1.00 7.71 H new ATOM 0 HH12 ARG A 100 27.954 3.748 -3.644 1.00 7.71 H new ATOM 0 HH21 ARG A 100 25.310 2.950 -1.459 1.00 7.36 H new ATOM 0 HH22 ARG A 100 26.037 4.191 -2.485 1.00 7.36 H new ATOM 1464 N ALA A 101 30.397 -4.712 -2.191 1.00 6.70 N ATOM 1465 CA ALA A 101 30.836 -5.847 -2.981 1.00 7.62 C ATOM 1466 C ALA A 101 31.033 -7.094 -2.115 1.00 7.91 C ATOM 1467 O ALA A 101 30.673 -8.200 -2.512 1.00 8.88 O ATOM 1468 CB ALA A 101 32.128 -5.479 -3.683 1.00 7.61 C ATOM 0 H ALA A 101 31.104 -3.985 -2.082 1.00 6.70 H new ATOM 0 HA ALA A 101 30.066 -6.086 -3.715 1.00 7.62 H new ATOM 0 HB1 ALA A 101 32.470 -6.323 -4.281 1.00 7.61 H new ATOM 0 HB2 ALA A 101 31.958 -4.620 -4.332 1.00 7.61 H new ATOM 0 HB3 ALA A 101 32.887 -5.229 -2.941 1.00 7.61 H new ATOM 1474 N THR A 102 31.603 -6.905 -0.936 1.00 7.24 N ATOM 1475 CA THR A 102 31.950 -8.011 -0.060 1.00 7.76 C ATOM 1476 C THR A 102 30.799 -8.442 0.846 1.00 8.12 C ATOM 1477 O THR A 102 30.959 -9.343 1.663 1.00 8.79 O ATOM 1478 CB THR A 102 33.156 -7.624 0.776 1.00 7.19 C ATOM 1479 OG1 THR A 102 32.842 -6.510 1.618 1.00 6.44 O ATOM 1480 CG2 THR A 102 34.264 -7.247 -0.171 1.00 6.79 C ATOM 0 H THR A 102 31.837 -5.986 -0.561 1.00 7.24 H new ATOM 0 HA THR A 102 32.181 -8.868 -0.692 1.00 7.76 H new ATOM 0 HB THR A 102 33.455 -8.457 1.413 1.00 7.19 H new ATOM 0 HG1 THR A 102 33.304 -6.608 2.477 1.00 6.44 H new ATOM 0 HG21 THR A 102 35.149 -6.963 0.399 1.00 6.79 H new ATOM 0 HG22 THR A 102 34.502 -8.098 -0.810 1.00 6.79 H new ATOM 0 HG23 THR A 102 33.945 -6.407 -0.789 1.00 6.79 H new ATOM 1488 N ASN A 103 29.643 -7.799 0.676 1.00 7.78 N ATOM 1489 CA ASN A 103 28.454 -8.066 1.483 1.00 8.03 C ATOM 1490 C ASN A 103 28.685 -7.711 2.949 1.00 7.69 C ATOM 1491 O ASN A 103 28.329 -8.475 3.849 1.00 8.43 O ATOM 1492 CB ASN A 103 28.009 -9.521 1.351 1.00 9.26 C ATOM 1493 CG ASN A 103 27.364 -9.827 0.011 1.00 9.66 C ATOM 1494 OD1 ASN A 103 27.695 -9.227 -1.011 1.00 10.09 O ATOM 1495 ND2 ASN A 103 26.429 -10.761 0.011 1.00 9.74 N ATOM 0 H ASN A 103 29.506 -7.075 -0.029 1.00 7.78 H new ATOM 0 HA ASN A 103 27.656 -7.429 1.101 1.00 8.03 H new ATOM 0 HB2 ASN A 103 28.872 -10.173 1.490 1.00 9.26 H new ATOM 0 HB3 ASN A 103 27.303 -9.753 2.149 1.00 9.26 H new ATOM 0 HD21 ASN A 103 25.954 -11.007 -0.857 1.00 9.74 H new ATOM 0 HD22 ASN A 103 26.183 -11.236 0.879 1.00 9.74 H new ATOM 1502 N ASN A 104 29.272 -6.533 3.167 1.00 6.74 N ATOM 1503 CA ASN A 104 29.540 -5.999 4.504 1.00 6.57 C ATOM 1504 C ASN A 104 30.604 -6.814 5.228 1.00 7.31 C ATOM 1505 O ASN A 104 30.704 -6.772 6.454 1.00 7.80 O ATOM 1506 CB ASN A 104 28.259 -5.931 5.343 1.00 6.81 C ATOM 1507 CG ASN A 104 27.191 -5.056 4.707 1.00 7.28 C ATOM 1508 OD1 ASN A 104 27.493 -4.077 4.023 1.00 7.71 O ATOM 1509 ND2 ASN A 104 25.931 -5.406 4.928 1.00 7.45 N ATOM 0 H ASN A 104 29.578 -5.917 2.414 1.00 6.74 H new ATOM 0 HA ASN A 104 29.919 -4.985 4.374 1.00 6.57 H new ATOM 0 HB2 ASN A 104 27.865 -6.938 5.480 1.00 6.81 H new ATOM 0 HB3 ASN A 104 28.498 -5.545 6.334 1.00 6.81 H new ATOM 0 HD21 ASN A 104 25.171 -4.857 4.526 1.00 7.45 H new ATOM 0 HD22 ASN A 104 25.722 -6.224 5.500 1.00 7.45 H new ATOM 1516 N ASN A 105 31.406 -7.543 4.464 1.00 7.54 N ATOM 1517 CA ASN A 105 32.527 -8.286 5.026 1.00 8.24 C ATOM 1518 C ASN A 105 33.717 -7.362 5.193 1.00 7.62 C ATOM 1519 O ASN A 105 34.384 -7.015 4.228 1.00 6.99 O ATOM 1520 CB ASN A 105 32.909 -9.472 4.131 1.00 8.91 C ATOM 1521 CG ASN A 105 31.999 -10.672 4.328 1.00 9.80 C ATOM 1522 OD1 ASN A 105 30.809 -10.535 4.600 1.00 10.00 O ATOM 1523 ND2 ASN A 105 32.562 -11.865 4.220 1.00 10.49 N ATOM 0 H ASN A 105 31.302 -7.636 3.454 1.00 7.54 H new ATOM 0 HA ASN A 105 32.227 -8.678 5.998 1.00 8.24 H new ATOM 0 HB2 ASN A 105 32.872 -9.161 3.087 1.00 8.91 H new ATOM 0 HB3 ASN A 105 33.938 -9.763 4.341 1.00 8.91 H new ATOM 0 HD21 ASN A 105 32.005 -12.707 4.364 1.00 10.49 H new ATOM 0 HD22 ASN A 105 33.553 -11.942 3.993 1.00 10.49 H new ATOM 1530 N LEU A 106 33.961 -6.977 6.444 1.00 7.99 N ATOM 1531 CA LEU A 106 35.041 -6.059 6.817 1.00 7.70 C ATOM 1532 C LEU A 106 36.365 -6.448 6.172 1.00 7.69 C ATOM 1533 O LEU A 106 36.964 -5.674 5.434 1.00 6.94 O ATOM 1534 CB LEU A 106 35.193 -6.066 8.347 1.00 8.64 C ATOM 1535 CG LEU A 106 36.326 -5.207 8.932 1.00 8.79 C ATOM 1536 CD1 LEU A 106 35.925 -4.693 10.300 1.00 9.54 C ATOM 1537 CD2 LEU A 106 37.616 -6.001 9.054 1.00 9.40 C ATOM 0 H LEU A 106 33.408 -7.297 7.239 1.00 7.99 H new ATOM 0 HA LEU A 106 34.781 -5.062 6.460 1.00 7.70 H new ATOM 0 HB2 LEU A 106 34.252 -5.732 8.784 1.00 8.64 H new ATOM 0 HB3 LEU A 106 35.346 -7.096 8.669 1.00 8.64 H new ATOM 0 HG LEU A 106 36.498 -4.371 8.254 1.00 8.79 H new ATOM 0 HD11 LEU A 106 36.731 -4.085 10.711 1.00 9.54 H new ATOM 0 HD12 LEU A 106 35.023 -4.088 10.211 1.00 9.54 H new ATOM 0 HD13 LEU A 106 35.732 -5.536 10.963 1.00 9.54 H new ATOM 0 HD21 LEU A 106 38.397 -5.365 9.471 1.00 9.40 H new ATOM 0 HD22 LEU A 106 37.456 -6.856 9.710 1.00 9.40 H new ATOM 0 HD23 LEU A 106 37.922 -6.352 8.068 1.00 9.40 H new ATOM 1549 N GLU A 107 36.822 -7.643 6.506 1.00 8.63 N ATOM 1550 CA GLU A 107 38.081 -8.173 5.988 1.00 8.84 C ATOM 1551 C GLU A 107 38.102 -8.202 4.468 1.00 8.19 C ATOM 1552 O GLU A 107 39.074 -7.774 3.846 1.00 7.74 O ATOM 1553 CB GLU A 107 38.319 -9.574 6.539 1.00 10.06 C ATOM 1554 CG GLU A 107 38.542 -9.593 8.038 1.00 10.88 C ATOM 1555 CD GLU A 107 39.944 -9.154 8.426 1.00 11.25 C ATOM 1556 OE1 GLU A 107 40.265 -7.959 8.278 1.00 11.09 O ATOM 1557 OE2 GLU A 107 40.739 -10.013 8.871 1.00 11.82 O ATOM 0 H GLU A 107 36.335 -8.275 7.142 1.00 8.63 H new ATOM 0 HA GLU A 107 38.880 -7.508 6.316 1.00 8.84 H new ATOM 0 HB2 GLU A 107 37.463 -10.203 6.297 1.00 10.06 H new ATOM 0 HB3 GLU A 107 39.186 -10.011 6.043 1.00 10.06 H new ATOM 0 HG2 GLU A 107 37.814 -8.939 8.518 1.00 10.88 H new ATOM 0 HG3 GLU A 107 38.363 -10.600 8.415 1.00 10.88 H new ATOM 1564 N ARG A 108 37.030 -8.694 3.868 1.00 8.29 N ATOM 1565 CA ARG A 108 36.965 -8.793 2.420 1.00 8.02 C ATOM 1566 C ARG A 108 36.883 -7.410 1.794 1.00 6.88 C ATOM 1567 O ARG A 108 37.301 -7.217 0.664 1.00 6.69 O ATOM 1568 CB ARG A 108 35.766 -9.612 1.979 1.00 8.62 C ATOM 1569 CG ARG A 108 35.871 -10.142 0.566 1.00 8.99 C ATOM 1570 CD ARG A 108 34.579 -10.814 0.166 1.00 9.70 C ATOM 1571 NE ARG A 108 34.433 -12.142 0.762 1.00 10.72 N ATOM 1572 CZ ARG A 108 33.264 -12.708 1.056 1.00 11.45 C ATOM 1573 NH1 ARG A 108 32.132 -12.040 0.876 1.00 11.31 N ATOM 1574 NH2 ARG A 108 33.226 -13.935 1.557 1.00 12.41 N ATOM 0 H ARG A 108 36.200 -9.028 4.357 1.00 8.29 H new ATOM 0 HA ARG A 108 37.875 -9.292 2.085 1.00 8.02 H new ATOM 0 HB2 ARG A 108 35.641 -10.451 2.663 1.00 8.62 H new ATOM 0 HB3 ARG A 108 34.869 -8.998 2.060 1.00 8.62 H new ATOM 0 HG2 ARG A 108 36.093 -9.326 -0.121 1.00 8.99 H new ATOM 0 HG3 ARG A 108 36.696 -10.851 0.496 1.00 8.99 H new ATOM 0 HD2 ARG A 108 33.739 -10.189 0.468 1.00 9.70 H new ATOM 0 HD3 ARG A 108 34.538 -10.900 -0.920 1.00 9.70 H new ATOM 0 HE ARG A 108 35.282 -12.669 0.966 1.00 10.72 H new ATOM 0 HH11 ARG A 108 32.154 -11.088 0.511 1.00 11.31 H new ATOM 0 HH12 ARG A 108 31.239 -12.479 1.103 1.00 11.31 H new ATOM 0 HH21 ARG A 108 34.093 -14.447 1.718 1.00 12.41 H new ATOM 0 HH22 ARG A 108 32.330 -14.367 1.782 1.00 12.41 H new ATOM 1588 N ALA A 109 36.306 -6.462 2.521 1.00 6.30 N ATOM 1589 CA ALA A 109 36.254 -5.089 2.063 1.00 5.34 C ATOM 1590 C ALA A 109 37.659 -4.561 1.902 1.00 5.09 C ATOM 1591 O ALA A 109 38.023 -4.038 0.859 1.00 4.76 O ATOM 1592 CB ALA A 109 35.492 -4.217 3.043 1.00 5.03 C ATOM 0 H ALA A 109 35.869 -6.623 3.429 1.00 6.30 H new ATOM 0 HA ALA A 109 35.734 -5.063 1.105 1.00 5.34 H new ATOM 0 HB1 ALA A 109 35.468 -3.191 2.675 1.00 5.03 H new ATOM 0 HB2 ALA A 109 34.473 -4.590 3.145 1.00 5.03 H new ATOM 0 HB3 ALA A 109 35.987 -4.243 4.014 1.00 5.03 H new ATOM 1598 N LEU A 110 38.449 -4.727 2.951 1.00 5.51 N ATOM 1599 CA LEU A 110 39.847 -4.363 2.922 1.00 5.52 C ATOM 1600 C LEU A 110 40.550 -5.140 1.827 1.00 5.67 C ATOM 1601 O LEU A 110 41.352 -4.594 1.097 1.00 5.40 O ATOM 1602 CB LEU A 110 40.480 -4.664 4.272 1.00 6.35 C ATOM 1603 CG LEU A 110 39.805 -3.985 5.457 1.00 6.65 C ATOM 1604 CD1 LEU A 110 40.203 -4.672 6.746 1.00 7.78 C ATOM 1605 CD2 LEU A 110 40.167 -2.515 5.500 1.00 6.44 C ATOM 0 H LEU A 110 38.136 -5.116 3.840 1.00 5.51 H new ATOM 0 HA LEU A 110 39.944 -3.297 2.717 1.00 5.52 H new ATOM 0 HB2 LEU A 110 40.466 -5.742 4.432 1.00 6.35 H new ATOM 0 HB3 LEU A 110 41.526 -4.359 4.244 1.00 6.35 H new ATOM 0 HG LEU A 110 38.724 -4.066 5.340 1.00 6.65 H new ATOM 0 HD11 LEU A 110 39.715 -4.179 7.587 1.00 7.78 H new ATOM 0 HD12 LEU A 110 39.896 -5.717 6.711 1.00 7.78 H new ATOM 0 HD13 LEU A 110 41.284 -4.615 6.870 1.00 7.78 H new ATOM 0 HD21 LEU A 110 39.677 -2.044 6.352 1.00 6.44 H new ATOM 0 HD22 LEU A 110 41.247 -2.409 5.599 1.00 6.44 H new ATOM 0 HD23 LEU A 110 39.838 -2.032 4.580 1.00 6.44 H new ATOM 1617 N ASP A 111 40.213 -6.419 1.719 1.00 6.32 N ATOM 1618 CA ASP A 111 40.725 -7.284 0.649 1.00 6.81 C ATOM 1619 C ASP A 111 40.438 -6.668 -0.713 1.00 6.41 C ATOM 1620 O ASP A 111 41.313 -6.571 -1.575 1.00 6.49 O ATOM 1621 CB ASP A 111 40.034 -8.649 0.691 1.00 7.75 C ATOM 1622 CG ASP A 111 40.857 -9.735 0.025 1.00 8.59 C ATOM 1623 OD1 ASP A 111 41.670 -10.382 0.717 1.00 9.04 O ATOM 1624 OD2 ASP A 111 40.690 -9.946 -1.198 1.00 8.94 O ATOM 0 H ASP A 111 39.580 -6.890 2.365 1.00 6.32 H new ATOM 0 HA ASP A 111 41.799 -7.395 0.799 1.00 6.81 H new ATOM 0 HB2 ASP A 111 39.844 -8.925 1.728 1.00 7.75 H new ATOM 0 HB3 ASP A 111 39.065 -8.578 0.198 1.00 7.75 H new ATOM 1629 N TRP A 112 39.186 -6.277 -0.884 1.00 6.15 N ATOM 1630 CA TRP A 112 38.707 -5.652 -2.101 1.00 6.12 C ATOM 1631 C TRP A 112 39.442 -4.348 -2.346 1.00 5.57 C ATOM 1632 O TRP A 112 39.938 -4.093 -3.445 1.00 5.97 O ATOM 1633 CB TRP A 112 37.208 -5.401 -1.970 1.00 6.03 C ATOM 1634 CG TRP A 112 36.563 -4.965 -3.250 1.00 6.48 C ATOM 1635 CD1 TRP A 112 36.025 -5.769 -4.213 1.00 6.79 C ATOM 1636 CD2 TRP A 112 36.393 -3.622 -3.707 1.00 7.05 C ATOM 1637 NE1 TRP A 112 35.532 -5.003 -5.242 1.00 7.45 N ATOM 1638 CE2 TRP A 112 35.745 -3.683 -4.954 1.00 7.60 C ATOM 1639 CE3 TRP A 112 36.730 -2.372 -3.181 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 35.424 -2.541 -5.679 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 36.410 -1.241 -3.901 1.00 8.25 C ATOM 1642 CH2 TRP A 112 35.763 -1.332 -5.139 1.00 8.69 C ATOM 0 H TRP A 112 38.466 -6.387 -0.170 1.00 6.15 H new ATOM 0 HA TRP A 112 38.893 -6.311 -2.949 1.00 6.12 H new ATOM 0 HB2 TRP A 112 36.724 -6.313 -1.620 1.00 6.03 H new ATOM 0 HB3 TRP A 112 37.040 -4.639 -1.209 1.00 6.03 H new ATOM 0 HD1 TRP A 112 35.992 -6.848 -4.172 1.00 6.79 H new ATOM 0 HE1 TRP A 112 35.081 -5.361 -6.084 1.00 7.45 H new ATOM 0 HE3 TRP A 112 37.232 -2.294 -2.228 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 34.925 -2.607 -6.634 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 36.662 -0.269 -3.504 1.00 8.25 H new ATOM 0 HH2 TRP A 112 35.527 -0.427 -5.679 1.00 8.69 H new ATOM 1653 N ILE A 113 39.513 -3.535 -1.305 1.00 4.92 N ATOM 1654 CA ILE A 113 40.190 -2.256 -1.367 1.00 4.71 C ATOM 1655 C ILE A 113 41.691 -2.451 -1.641 1.00 4.95 C ATOM 1656 O ILE A 113 42.294 -1.718 -2.422 1.00 5.25 O ATOM 1657 CB ILE A 113 39.975 -1.461 -0.058 1.00 4.41 C ATOM 1658 CG1 ILE A 113 38.481 -1.180 0.163 1.00 4.22 C ATOM 1659 CG2 ILE A 113 40.748 -0.156 -0.101 1.00 4.75 C ATOM 1660 CD1 ILE A 113 38.186 -0.324 1.367 1.00 4.30 C ATOM 0 H ILE A 113 39.102 -3.745 -0.395 1.00 4.92 H new ATOM 0 HA ILE A 113 39.763 -1.683 -2.190 1.00 4.71 H new ATOM 0 HB ILE A 113 40.343 -2.062 0.773 1.00 4.41 H new ATOM 0 HG12 ILE A 113 38.080 -0.690 -0.724 1.00 4.22 H new ATOM 0 HG13 ILE A 113 37.956 -2.129 0.268 1.00 4.22 H new ATOM 0 HG21 ILE A 113 40.587 0.393 0.827 1.00 4.75 H new ATOM 0 HG22 ILE A 113 41.811 -0.366 -0.219 1.00 4.75 H new ATOM 0 HG23 ILE A 113 40.402 0.444 -0.942 1.00 4.75 H new ATOM 0 HD11 ILE A 113 37.110 -0.173 1.451 1.00 4.30 H new ATOM 0 HD12 ILE A 113 38.554 -0.820 2.265 1.00 4.30 H new ATOM 0 HD13 ILE A 113 38.680 0.641 1.257 1.00 4.30 H new ATOM 1672 N PHE A 114 42.274 -3.462 -1.002 1.00 5.07 N ATOM 1673 CA PHE A 114 43.673 -3.842 -1.213 1.00 5.37 C ATOM 1674 C PHE A 114 43.914 -4.271 -2.650 1.00 5.85 C ATOM 1675 O PHE A 114 44.975 -4.022 -3.221 1.00 6.10 O ATOM 1676 CB PHE A 114 44.046 -4.995 -0.274 1.00 5.75 C ATOM 1677 CG PHE A 114 44.548 -4.557 1.075 1.00 6.09 C ATOM 1678 CD1 PHE A 114 45.479 -3.535 1.189 1.00 6.53 C ATOM 1679 CD2 PHE A 114 44.083 -5.164 2.231 1.00 6.17 C ATOM 1680 CE1 PHE A 114 45.939 -3.130 2.429 1.00 6.91 C ATOM 1681 CE2 PHE A 114 44.540 -4.764 3.473 1.00 6.62 C ATOM 1682 CZ PHE A 114 45.479 -3.746 3.568 1.00 6.92 C ATOM 0 H PHE A 114 41.789 -4.045 -0.320 1.00 5.07 H new ATOM 0 HA PHE A 114 44.294 -2.972 -1.000 1.00 5.37 H new ATOM 0 HB2 PHE A 114 43.172 -5.632 -0.134 1.00 5.75 H new ATOM 0 HB3 PHE A 114 44.812 -5.605 -0.753 1.00 5.75 H new ATOM 0 HD1 PHE A 114 45.849 -3.049 0.298 1.00 6.53 H new ATOM 0 HD2 PHE A 114 43.355 -5.959 2.161 1.00 6.17 H new ATOM 0 HE1 PHE A 114 46.660 -2.329 2.502 1.00 6.91 H new ATOM 0 HE2 PHE A 114 44.167 -5.242 4.367 1.00 6.62 H new ATOM 0 HZ PHE A 114 45.847 -3.439 4.536 1.00 6.92 H new