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 Set 1.1: A 6 SER OG : rot -84:sc= -1.01! USER MOD Set 1.2: A 20 CYS SG : rot -38:sc= -0.583 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 13 MET CE :methyl 159:sc= -0.136 (180deg=-0.748) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.08) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 4:sc= -0.0954 USER MOD Single : A 29 ASN : amide:sc= -1.38 K(o=-1.4,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 42 HIS : no HD1:sc= -0.0566 X(o=-0.057,f=-0.062) USER MOD Single : A 43 MET CE :methyl -156:sc= 0 (180deg=-0.104) USER MOD Single : A 76 GLN : amide:sc= -0.527 K(o=-0.53,f=0) USER MOD Single : A 86 THR OG1 : rot 56:sc= 0.191 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -111:sc= -1.96! (180deg=-4.72!) USER MOD Single : A 91 GLN : amide:sc= -1.77! C(o=-1.8!,f=-3.5!) USER MOD Single : A 93 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.35 K(o=-1.3,f=-7.3!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 102 THR OG1 : rot 148:sc= -1.2! USER MOD Single : A 103 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.036) USER MOD Single : A 104 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.44) USER MOD Single : A 105 ASN : amide:sc= 0.501 K(o=0.5,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -43.155 9.489 -7.201 1.00 5.46 N ATOM 16 CA ILE A 2 -42.765 8.672 -6.081 1.00 4.94 C ATOM 17 C ILE A 2 -41.582 9.325 -5.369 1.00 4.60 C ATOM 18 O ILE A 2 -40.662 9.815 -6.024 1.00 4.72 O ATOM 19 CB ILE A 2 -42.380 7.255 -6.568 1.00 4.98 C ATOM 20 CG1 ILE A 2 -43.620 6.509 -7.073 1.00 5.40 C ATOM 21 CG2 ILE A 2 -41.688 6.482 -5.465 1.00 4.52 C ATOM 22 CD1 ILE A 2 -43.339 5.101 -7.557 1.00 5.69 C ATOM 0 HA ILE A 2 -43.600 8.584 -5.386 1.00 4.94 H new ATOM 0 HB ILE A 2 -41.681 7.350 -7.399 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -44.357 6.466 -6.271 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -44.068 7.079 -7.887 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -41.425 5.488 -5.827 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -40.783 7.009 -5.164 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -42.357 6.391 -4.609 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -44.267 4.641 -7.897 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -42.627 5.135 -8.382 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -42.921 4.512 -6.741 1.00 5.69 H new ATOM 34 N ASP A 3 -41.627 9.372 -4.039 1.00 4.29 N ATOM 35 CA ASP A 3 -40.501 9.870 -3.251 1.00 4.07 C ATOM 36 C ASP A 3 -39.350 8.886 -3.330 1.00 3.76 C ATOM 37 O ASP A 3 -39.046 8.179 -2.369 1.00 3.50 O ATOM 38 CB ASP A 3 -40.889 10.076 -1.784 1.00 3.99 C ATOM 39 CG ASP A 3 -41.905 11.181 -1.590 1.00 4.25 C ATOM 40 OD1 ASP A 3 -41.492 12.346 -1.408 1.00 4.60 O ATOM 41 OD2 ASP A 3 -43.115 10.888 -1.613 1.00 4.39 O ATOM 0 H ASP A 3 -42.429 9.072 -3.485 1.00 4.29 H new ATOM 0 HA ASP A 3 -40.203 10.834 -3.664 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -41.293 9.145 -1.387 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -39.994 10.307 -1.206 1.00 3.99 H new ATOM 46 N GLU A 4 -38.712 8.844 -4.482 1.00 3.88 N ATOM 47 CA GLU A 4 -37.618 7.926 -4.716 1.00 3.72 C ATOM 48 C GLU A 4 -36.382 8.335 -3.932 1.00 3.64 C ATOM 49 O GLU A 4 -35.379 7.628 -3.922 1.00 3.58 O ATOM 50 CB GLU A 4 -37.339 7.830 -6.207 1.00 4.04 C ATOM 51 CG GLU A 4 -38.549 7.331 -6.971 1.00 4.23 C ATOM 52 CD GLU A 4 -38.260 7.069 -8.431 1.00 4.68 C ATOM 53 OE1 GLU A 4 -37.492 6.132 -8.732 1.00 4.67 O ATOM 54 OE2 GLU A 4 -38.812 7.793 -9.285 1.00 5.13 O ATOM 0 H GLU A 4 -38.936 9.442 -5.278 1.00 3.88 H new ATOM 0 HA GLU A 4 -37.902 6.936 -4.359 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -37.047 8.809 -6.587 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -36.498 7.158 -6.378 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -38.911 6.413 -6.508 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -39.350 8.066 -6.891 1.00 4.23 H new ATOM 61 N SER A 5 -36.471 9.468 -3.257 1.00 3.76 N ATOM 62 CA SER A 5 -35.454 9.863 -2.305 1.00 3.85 C ATOM 63 C SER A 5 -35.410 8.847 -1.164 1.00 3.61 C ATOM 64 O SER A 5 -34.358 8.580 -0.593 1.00 3.72 O ATOM 65 CB SER A 5 -35.764 11.260 -1.774 1.00 4.10 C ATOM 66 OG SER A 5 -36.003 12.157 -2.845 1.00 4.17 O ATOM 0 H SER A 5 -37.241 10.131 -3.353 1.00 3.76 H new ATOM 0 HA SER A 5 -34.479 9.888 -2.791 1.00 3.85 H new ATOM 0 HB2 SER A 5 -36.637 11.222 -1.122 1.00 4.10 H new ATOM 0 HB3 SER A 5 -34.931 11.619 -1.170 1.00 4.10 H new ATOM 0 HG SER A 5 -36.202 13.048 -2.488 1.00 4.17 H new ATOM 72 N SER A 6 -36.569 8.257 -0.871 1.00 3.37 N ATOM 73 CA SER A 6 -36.679 7.239 0.164 1.00 3.21 C ATOM 74 C SER A 6 -35.926 5.975 -0.233 1.00 3.07 C ATOM 75 O SER A 6 -35.080 5.476 0.516 1.00 3.14 O ATOM 76 CB SER A 6 -38.152 6.906 0.413 1.00 3.12 C ATOM 77 OG SER A 6 -38.293 5.909 1.406 1.00 3.42 O ATOM 0 H SER A 6 -37.448 8.471 -1.342 1.00 3.37 H new ATOM 0 HA SER A 6 -36.235 7.632 1.078 1.00 3.21 H new ATOM 0 HB2 SER A 6 -38.684 7.806 0.721 1.00 3.12 H new ATOM 0 HB3 SER A 6 -38.612 6.566 -0.515 1.00 3.12 H new ATOM 0 HG SER A 6 -38.190 5.024 0.998 1.00 3.42 H new ATOM 83 N VAL A 7 -36.223 5.461 -1.423 1.00 2.98 N ATOM 84 CA VAL A 7 -35.579 4.248 -1.891 1.00 2.91 C ATOM 85 C VAL A 7 -34.086 4.467 -2.059 1.00 3.12 C ATOM 86 O VAL A 7 -33.287 3.593 -1.750 1.00 3.14 O ATOM 87 CB VAL A 7 -36.190 3.705 -3.204 1.00 2.96 C ATOM 88 CG1 VAL A 7 -36.213 4.754 -4.302 1.00 3.24 C ATOM 89 CG2 VAL A 7 -35.426 2.477 -3.665 1.00 2.98 C ATOM 0 H VAL A 7 -36.899 5.864 -2.072 1.00 2.98 H new ATOM 0 HA VAL A 7 -35.753 3.492 -1.125 1.00 2.91 H new ATOM 0 HB VAL A 7 -37.225 3.432 -2.996 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -36.650 4.327 -5.204 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -36.810 5.607 -3.978 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -35.195 5.083 -4.513 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -35.864 2.102 -4.590 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -34.383 2.741 -3.838 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -35.482 1.705 -2.898 1.00 2.98 H new ATOM 99 N MET A 8 -33.723 5.648 -2.525 1.00 3.37 N ATOM 100 CA MET A 8 -32.321 5.996 -2.693 1.00 3.71 C ATOM 101 C MET A 8 -31.599 6.060 -1.358 1.00 3.85 C ATOM 102 O MET A 8 -30.410 5.787 -1.289 1.00 4.12 O ATOM 103 CB MET A 8 -32.164 7.306 -3.463 1.00 4.00 C ATOM 104 CG MET A 8 -32.438 7.142 -4.948 1.00 4.07 C ATOM 105 SD MET A 8 -31.274 6.016 -5.739 1.00 4.46 S ATOM 106 CE MET A 8 -32.037 5.811 -7.346 1.00 5.17 C ATOM 0 H MET A 8 -34.377 6.383 -2.794 1.00 3.37 H new ATOM 0 HA MET A 8 -31.858 5.204 -3.281 1.00 3.71 H new ATOM 0 HB2 MET A 8 -32.845 8.050 -3.051 1.00 4.00 H new ATOM 0 HB3 MET A 8 -31.153 7.687 -3.323 1.00 4.00 H new ATOM 0 HG2 MET A 8 -33.453 6.770 -5.089 1.00 4.07 H new ATOM 0 HG3 MET A 8 -32.385 8.116 -5.435 1.00 4.07 H new ATOM 0 HE1 MET A 8 -31.431 5.138 -7.953 1.00 5.17 H new ATOM 0 HE2 MET A 8 -33.035 5.390 -7.224 1.00 5.17 H new ATOM 0 HE3 MET A 8 -32.110 6.780 -7.840 1.00 5.17 H new ATOM 116 N GLN A 9 -32.316 6.392 -0.290 1.00 3.77 N ATOM 117 CA GLN A 9 -31.728 6.353 1.044 1.00 4.01 C ATOM 118 C GLN A 9 -31.396 4.917 1.441 1.00 3.96 C ATOM 119 O GLN A 9 -30.346 4.658 2.028 1.00 4.33 O ATOM 120 CB GLN A 9 -32.652 6.992 2.080 1.00 4.00 C ATOM 121 CG GLN A 9 -32.716 8.507 1.970 1.00 4.36 C ATOM 122 CD GLN A 9 -33.492 9.151 3.106 1.00 4.96 C ATOM 123 OE1 GLN A 9 -33.511 8.644 4.232 1.00 5.38 O ATOM 124 NE2 GLN A 9 -34.128 10.277 2.828 1.00 5.37 N ATOM 0 H GLN A 9 -33.292 6.687 -0.320 1.00 3.77 H new ATOM 0 HA GLN A 9 -30.805 6.932 1.017 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -33.656 6.583 1.964 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -32.310 6.721 3.079 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -31.703 8.908 1.956 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -33.179 8.778 1.021 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -34.089 10.665 1.886 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -34.657 10.757 3.556 1.00 5.37 H new ATOM 133 N LEU A 10 -32.290 3.983 1.116 1.00 3.56 N ATOM 134 CA LEU A 10 -32.005 2.560 1.328 1.00 3.52 C ATOM 135 C LEU A 10 -30.914 2.113 0.372 1.00 3.65 C ATOM 136 O LEU A 10 -30.036 1.323 0.713 1.00 3.90 O ATOM 137 CB LEU A 10 -33.233 1.696 1.060 1.00 3.15 C ATOM 138 CG LEU A 10 -34.538 2.116 1.717 1.00 3.03 C ATOM 139 CD1 LEU A 10 -35.562 1.031 1.530 1.00 2.85 C ATOM 140 CD2 LEU A 10 -34.353 2.425 3.189 1.00 3.23 C ATOM 0 H LEU A 10 -33.205 4.179 0.711 1.00 3.56 H new ATOM 0 HA LEU A 10 -31.698 2.440 2.367 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -33.393 1.663 -0.018 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -33.006 0.679 1.380 1.00 3.15 H new ATOM 0 HG LEU A 10 -34.884 3.032 1.238 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -36.499 1.330 2.000 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -35.727 0.866 0.465 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -35.204 0.109 1.989 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -35.309 2.721 3.622 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -33.981 1.539 3.703 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -33.636 3.238 3.303 1.00 3.23 H new ATOM 152 N ALA A 11 -31.006 2.628 -0.836 1.00 3.56 N ATOM 153 CA ALA A 11 -30.060 2.321 -1.897 1.00 3.74 C ATOM 154 C ALA A 11 -28.640 2.764 -1.538 1.00 4.22 C ATOM 155 O ALA A 11 -27.665 2.106 -1.907 1.00 4.46 O ATOM 156 CB ALA A 11 -30.513 2.979 -3.189 1.00 3.71 C ATOM 0 H ALA A 11 -31.743 3.276 -1.115 1.00 3.56 H new ATOM 0 HA ALA A 11 -30.036 1.239 -2.029 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -29.803 2.748 -3.983 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -31.499 2.603 -3.463 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -30.563 4.059 -3.049 1.00 3.71 H new ATOM 162 N GLU A 12 -28.530 3.873 -0.815 1.00 4.41 N ATOM 163 CA GLU A 12 -27.234 4.344 -0.321 1.00 4.92 C ATOM 164 C GLU A 12 -26.668 3.395 0.730 1.00 5.14 C ATOM 165 O GLU A 12 -25.472 3.410 1.013 1.00 5.60 O ATOM 166 CB GLU A 12 -27.333 5.757 0.256 1.00 5.13 C ATOM 167 CG GLU A 12 -27.610 6.824 -0.791 1.00 5.27 C ATOM 168 CD GLU A 12 -27.490 8.230 -0.241 1.00 5.79 C ATOM 169 OE1 GLU A 12 -28.298 8.596 0.643 1.00 5.95 O ATOM 170 OE2 GLU A 12 -26.584 8.970 -0.671 1.00 6.27 O ATOM 0 H GLU A 12 -29.320 4.465 -0.556 1.00 4.41 H new ATOM 0 HA GLU A 12 -26.557 4.367 -1.175 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -28.125 5.780 1.005 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -26.402 5.997 0.770 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -26.913 6.702 -1.620 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -28.613 6.680 -1.193 1.00 5.27 H new ATOM 177 N MET A 13 -27.533 2.568 1.308 1.00 4.88 N ATOM 178 CA MET A 13 -27.100 1.533 2.239 1.00 5.14 C ATOM 179 C MET A 13 -26.636 0.303 1.466 1.00 4.89 C ATOM 180 O MET A 13 -26.216 -0.695 2.050 1.00 5.03 O ATOM 181 CB MET A 13 -28.236 1.154 3.194 1.00 5.20 C ATOM 182 CG MET A 13 -28.839 2.345 3.919 1.00 4.86 C ATOM 183 SD MET A 13 -30.127 1.880 5.096 1.00 5.10 S ATOM 184 CE MET A 13 -29.213 0.822 6.218 1.00 5.16 C ATOM 0 H MET A 13 -28.540 2.595 1.147 1.00 4.88 H new ATOM 0 HA MET A 13 -26.270 1.922 2.829 1.00 5.14 H new ATOM 0 HB2 MET A 13 -29.019 0.646 2.631 1.00 5.20 H new ATOM 0 HB3 MET A 13 -27.860 0.443 3.930 1.00 5.20 H new ATOM 0 HG2 MET A 13 -28.049 2.880 4.446 1.00 4.86 H new ATOM 0 HG3 MET A 13 -29.257 3.035 3.186 1.00 4.86 H new ATOM 0 HE1 MET A 13 -29.739 0.761 7.171 1.00 5.16 H new ATOM 0 HE2 MET A 13 -29.125 -0.176 5.787 1.00 5.16 H new ATOM 0 HE3 MET A 13 -28.218 1.236 6.379 1.00 5.16 H new ATOM 194 N GLY A 14 -26.732 0.390 0.144 1.00 4.62 N ATOM 195 CA GLY A 14 -26.251 -0.665 -0.723 1.00 4.51 C ATOM 196 C GLY A 14 -27.270 -1.753 -0.951 1.00 4.38 C ATOM 197 O GLY A 14 -26.945 -2.937 -0.893 1.00 4.75 O ATOM 0 H GLY A 14 -27.141 1.185 -0.346 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -25.965 -0.236 -1.683 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -25.352 -1.102 -0.289 1.00 4.51 H new ATOM 201 N PHE A 15 -28.497 -1.357 -1.228 1.00 4.09 N ATOM 202 CA PHE A 15 -29.563 -2.314 -1.498 1.00 4.04 C ATOM 203 C PHE A 15 -30.511 -1.776 -2.565 1.00 3.73 C ATOM 204 O PHE A 15 -31.040 -0.669 -2.441 1.00 3.48 O ATOM 205 CB PHE A 15 -30.362 -2.642 -0.231 1.00 4.10 C ATOM 206 CG PHE A 15 -29.561 -3.280 0.870 1.00 4.27 C ATOM 207 CD1 PHE A 15 -29.222 -4.622 0.812 1.00 4.60 C ATOM 208 CD2 PHE A 15 -29.142 -2.536 1.961 1.00 4.36 C ATOM 209 CE1 PHE A 15 -28.480 -5.209 1.818 1.00 5.01 C ATOM 210 CE2 PHE A 15 -28.401 -3.116 2.972 1.00 4.78 C ATOM 211 CZ PHE A 15 -28.094 -4.464 2.912 1.00 5.09 C ATOM 0 H PHE A 15 -28.785 -0.380 -1.273 1.00 4.09 H new ATOM 0 HA PHE A 15 -29.090 -3.228 -1.857 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -30.808 -1.723 0.149 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -31.182 -3.308 -0.498 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -29.542 -5.217 -0.031 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -29.398 -1.489 2.022 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -28.202 -6.250 1.748 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -28.062 -2.520 3.806 1.00 4.78 H new ATOM 0 HZ PHE A 15 -27.553 -4.932 3.721 1.00 5.09 H new ATOM 221 N PRO A 16 -30.725 -2.556 -3.631 1.00 3.83 N ATOM 222 CA PRO A 16 -31.676 -2.222 -4.697 1.00 3.69 C ATOM 223 C PRO A 16 -33.123 -2.406 -4.241 1.00 3.43 C ATOM 224 O PRO A 16 -33.837 -3.278 -4.744 1.00 3.52 O ATOM 225 CB PRO A 16 -31.326 -3.233 -5.792 1.00 4.05 C ATOM 226 CG PRO A 16 -30.819 -4.416 -5.042 1.00 4.25 C ATOM 227 CD PRO A 16 -30.071 -3.853 -3.863 1.00 4.22 C ATOM 0 HA PRO A 16 -31.604 -1.182 -5.016 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -32.198 -3.486 -6.395 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -30.572 -2.839 -6.473 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -31.639 -5.056 -4.717 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -30.166 -5.026 -5.666 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -30.147 -4.503 -2.991 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -29.009 -3.734 -4.080 1.00 4.22 H new ATOM 235 N LEU A 17 -33.563 -1.595 -3.290 1.00 3.19 N ATOM 236 CA LEU A 17 -34.874 -1.795 -2.696 1.00 3.02 C ATOM 237 C LEU A 17 -35.960 -1.036 -3.456 1.00 3.04 C ATOM 238 O LEU A 17 -36.597 -0.118 -2.932 1.00 2.93 O ATOM 239 CB LEU A 17 -34.862 -1.442 -1.192 1.00 2.86 C ATOM 240 CG LEU A 17 -33.797 -2.189 -0.390 1.00 2.99 C ATOM 241 CD1 LEU A 17 -33.887 -1.843 1.081 1.00 3.21 C ATOM 242 CD2 LEU A 17 -33.935 -3.689 -0.589 1.00 3.29 C ATOM 0 H LEU A 17 -33.039 -0.803 -2.918 1.00 3.19 H new ATOM 0 HA LEU A 17 -35.118 -2.854 -2.778 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -34.701 -0.370 -1.082 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -35.842 -1.662 -0.769 1.00 2.86 H new ATOM 0 HG LEU A 17 -32.818 -1.877 -0.755 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -33.119 -2.387 1.630 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -33.737 -0.771 1.213 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -34.870 -2.121 1.461 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -33.169 -4.205 -0.011 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -34.921 -4.011 -0.254 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -33.815 -3.928 -1.646 1.00 3.29 H new ATOM 254 N GLU A 18 -36.179 -1.429 -4.711 1.00 3.30 N ATOM 255 CA GLU A 18 -37.312 -0.938 -5.475 1.00 3.51 C ATOM 256 C GLU A 18 -38.601 -1.214 -4.716 1.00 3.51 C ATOM 257 O GLU A 18 -39.625 -0.574 -4.946 1.00 3.70 O ATOM 258 CB GLU A 18 -37.388 -1.600 -6.842 1.00 3.90 C ATOM 259 CG GLU A 18 -38.151 -0.755 -7.837 1.00 4.24 C ATOM 260 CD GLU A 18 -38.686 -1.549 -9.008 1.00 4.90 C ATOM 261 OE1 GLU A 18 -39.224 -2.652 -8.781 1.00 5.48 O ATOM 262 OE2 GLU A 18 -38.542 -1.084 -10.158 1.00 5.09 O ATOM 0 H GLU A 18 -35.583 -2.086 -5.215 1.00 3.30 H new ATOM 0 HA GLU A 18 -37.180 0.135 -5.617 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -36.380 -1.778 -7.215 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -37.870 -2.573 -6.748 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -38.982 -0.267 -7.327 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -37.498 0.034 -8.210 1.00 4.24 H new ATOM 269 N ALA A 19 -38.536 -2.186 -3.811 1.00 3.41 N ATOM 270 CA ALA A 19 -39.636 -2.478 -2.911 1.00 3.49 C ATOM 271 C ALA A 19 -39.981 -1.242 -2.098 1.00 3.32 C ATOM 272 O ALA A 19 -41.125 -1.038 -1.726 1.00 3.54 O ATOM 273 CB ALA A 19 -39.274 -3.629 -1.997 1.00 3.45 C ATOM 0 H ALA A 19 -37.722 -2.788 -3.685 1.00 3.41 H new ATOM 0 HA ALA A 19 -40.508 -2.766 -3.498 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -40.108 -3.838 -1.327 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -39.059 -4.515 -2.595 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -38.394 -3.365 -1.410 1.00 3.45 H new ATOM 279 N CYS A 20 -38.967 -0.425 -1.842 1.00 3.03 N ATOM 280 CA CYS A 20 -39.156 0.862 -1.180 1.00 2.94 C ATOM 281 C CYS A 20 -39.826 1.818 -2.142 1.00 3.13 C ATOM 282 O CYS A 20 -40.749 2.538 -1.780 1.00 3.27 O ATOM 283 CB CYS A 20 -37.824 1.479 -0.757 1.00 2.73 C ATOM 284 SG CYS A 20 -38.001 2.884 0.370 1.00 2.75 S ATOM 0 H CYS A 20 -37.998 -0.632 -2.084 1.00 3.03 H new ATOM 0 HA CYS A 20 -39.766 0.694 -0.292 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -37.215 0.713 -0.277 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -37.285 1.804 -1.647 1.00 2.73 H new ATOM 0 HG CYS A 20 -39.032 3.594 0.019 1.00 2.75 H new ATOM 290 N ARG A 21 -39.337 1.822 -3.373 1.00 3.24 N ATOM 291 CA ARG A 21 -39.924 2.658 -4.420 1.00 3.55 C ATOM 292 C ARG A 21 -41.425 2.380 -4.560 1.00 3.89 C ATOM 293 O ARG A 21 -42.244 3.303 -4.559 1.00 4.07 O ATOM 294 CB ARG A 21 -39.193 2.439 -5.750 1.00 3.75 C ATOM 295 CG ARG A 21 -39.881 3.078 -6.946 1.00 4.17 C ATOM 296 CD ARG A 21 -38.890 3.424 -8.042 1.00 4.74 C ATOM 297 NE ARG A 21 -39.170 2.719 -9.290 1.00 5.08 N ATOM 298 CZ ARG A 21 -38.723 3.112 -10.483 1.00 5.56 C ATOM 299 NH1 ARG A 21 -38.044 4.249 -10.612 1.00 5.80 N ATOM 300 NH2 ARG A 21 -38.984 2.374 -11.555 1.00 6.10 N ATOM 0 H ARG A 21 -38.540 1.261 -3.674 1.00 3.24 H new ATOM 0 HA ARG A 21 -39.806 3.704 -4.136 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -38.183 2.840 -5.668 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -39.097 1.368 -5.928 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -40.636 2.397 -7.339 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -40.402 3.981 -6.627 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -38.913 4.499 -8.222 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -37.882 3.178 -7.707 1.00 4.74 H new ATOM 0 HE ARG A 21 -39.742 1.875 -9.246 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -37.861 4.829 -9.793 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -37.707 4.540 -11.529 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -39.523 1.513 -11.463 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -38.646 2.668 -12.471 1.00 6.10 H new ATOM 314 N LYS A 22 -41.787 1.109 -4.647 1.00 4.03 N ATOM 315 CA LYS A 22 -43.189 0.735 -4.747 1.00 4.43 C ATOM 316 C LYS A 22 -43.880 0.863 -3.393 1.00 4.38 C ATOM 317 O LYS A 22 -45.093 1.027 -3.328 1.00 4.73 O ATOM 318 CB LYS A 22 -43.343 -0.675 -5.330 1.00 4.63 C ATOM 319 CG LYS A 22 -42.697 -1.779 -4.507 1.00 4.60 C ATOM 320 CD LYS A 22 -42.400 -3.006 -5.360 1.00 4.73 C ATOM 321 CE LYS A 22 -41.333 -2.700 -6.402 1.00 4.49 C ATOM 322 NZ LYS A 22 -41.035 -3.863 -7.278 1.00 4.77 N ATOM 0 H LYS A 22 -41.135 0.325 -4.650 1.00 4.03 H new ATOM 0 HA LYS A 22 -43.679 1.425 -5.434 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -44.405 -0.895 -5.437 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -42.912 -0.688 -6.331 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -41.772 -1.410 -4.063 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -43.357 -2.056 -3.685 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -42.067 -3.825 -4.722 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -43.312 -3.339 -5.855 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -41.662 -1.862 -7.017 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -40.419 -2.386 -5.898 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -40.212 -3.645 -7.876 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -40.826 -4.695 -6.691 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -41.858 -4.063 -7.881 1.00 4.77 H new ATOM 336 N ALA A 23 -43.105 0.803 -2.314 1.00 4.00 N ATOM 337 CA ALA A 23 -43.639 1.047 -0.977 1.00 4.00 C ATOM 338 C ALA A 23 -44.099 2.488 -0.855 1.00 4.05 C ATOM 339 O ALA A 23 -45.139 2.778 -0.275 1.00 4.34 O ATOM 340 CB ALA A 23 -42.596 0.754 0.085 1.00 3.66 C ATOM 0 H ALA A 23 -42.108 0.588 -2.338 1.00 4.00 H new ATOM 0 HA ALA A 23 -44.488 0.380 -0.824 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -43.018 0.943 1.072 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -42.289 -0.290 0.016 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -41.730 1.397 -0.069 1.00 3.66 H new ATOM 346 N VAL A 24 -43.299 3.392 -1.397 1.00 3.82 N ATOM 347 CA VAL A 24 -43.668 4.796 -1.484 1.00 3.90 C ATOM 348 C VAL A 24 -44.963 4.947 -2.274 1.00 4.37 C ATOM 349 O VAL A 24 -45.833 5.748 -1.926 1.00 4.58 O ATOM 350 CB VAL A 24 -42.549 5.625 -2.153 1.00 3.69 C ATOM 351 CG1 VAL A 24 -42.990 7.056 -2.370 1.00 3.86 C ATOM 352 CG2 VAL A 24 -41.277 5.586 -1.323 1.00 3.33 C ATOM 0 H VAL A 24 -42.382 3.176 -1.787 1.00 3.82 H new ATOM 0 HA VAL A 24 -43.814 5.171 -0.471 1.00 3.90 H new ATOM 0 HB VAL A 24 -42.341 5.179 -3.126 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -42.184 7.618 -2.842 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -43.869 7.072 -3.014 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -43.235 7.511 -1.410 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -40.504 6.177 -1.814 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -41.475 5.999 -0.334 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -40.938 4.555 -1.225 1.00 3.33 H new ATOM 362 N TYR A 25 -45.080 4.169 -3.337 1.00 4.58 N ATOM 363 CA TYR A 25 -46.319 4.100 -4.100 1.00 5.10 C ATOM 364 C TYR A 25 -47.468 3.602 -3.217 1.00 5.36 C ATOM 365 O TYR A 25 -48.527 4.226 -3.162 1.00 5.71 O ATOM 366 CB TYR A 25 -46.133 3.185 -5.317 1.00 5.32 C ATOM 367 CG TYR A 25 -47.365 3.052 -6.189 1.00 5.87 C ATOM 368 CD1 TYR A 25 -47.690 4.031 -7.117 1.00 6.18 C ATOM 369 CD2 TYR A 25 -48.198 1.942 -6.088 1.00 6.12 C ATOM 370 CE1 TYR A 25 -48.811 3.911 -7.917 1.00 6.71 C ATOM 371 CE2 TYR A 25 -49.320 1.817 -6.884 1.00 6.65 C ATOM 372 CZ TYR A 25 -49.620 2.802 -7.797 1.00 6.94 C ATOM 373 OH TYR A 25 -50.737 2.679 -8.588 1.00 7.48 O ATOM 0 H TYR A 25 -44.332 3.575 -3.693 1.00 4.58 H new ATOM 0 HA TYR A 25 -46.573 5.100 -4.451 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -45.312 3.568 -5.923 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -45.838 2.194 -4.971 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -47.057 4.901 -7.216 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -47.963 1.165 -5.375 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -49.052 4.683 -8.633 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -49.958 0.951 -6.790 1.00 6.65 H new ATOM 0 HH TYR A 25 -51.196 1.839 -8.378 1.00 7.48 H new ATOM 383 N PHE A 26 -47.243 2.492 -2.512 1.00 5.24 N ATOM 384 CA PHE A 26 -48.256 1.914 -1.626 1.00 5.55 C ATOM 385 C PHE A 26 -48.634 2.876 -0.501 1.00 5.56 C ATOM 386 O PHE A 26 -49.810 3.026 -0.179 1.00 5.98 O ATOM 387 CB PHE A 26 -47.768 0.595 -1.016 1.00 5.42 C ATOM 388 CG PHE A 26 -47.628 -0.532 -2.000 1.00 5.81 C ATOM 389 CD1 PHE A 26 -48.645 -0.816 -2.899 1.00 6.32 C ATOM 390 CD2 PHE A 26 -46.475 -1.297 -2.036 1.00 5.81 C ATOM 391 CE1 PHE A 26 -48.512 -1.843 -3.814 1.00 6.79 C ATOM 392 CE2 PHE A 26 -46.336 -2.322 -2.950 1.00 6.37 C ATOM 393 CZ PHE A 26 -47.381 -2.632 -3.802 1.00 6.84 C ATOM 0 H PHE A 26 -46.365 1.973 -2.537 1.00 5.24 H new ATOM 0 HA PHE A 26 -49.138 1.724 -2.238 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -46.803 0.765 -0.538 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -48.463 0.292 -0.233 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -49.551 -0.228 -2.884 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -45.675 -1.090 -1.341 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -49.293 -2.027 -4.537 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -45.413 -2.881 -3.000 1.00 6.37 H new ATOM 0 HZ PHE A 26 -47.311 -3.489 -4.456 1.00 6.84 H new ATOM 403 N THR A 27 -47.636 3.519 0.097 1.00 5.14 N ATOM 404 CA THR A 27 -47.879 4.445 1.196 1.00 5.20 C ATOM 405 C THR A 27 -48.641 5.676 0.718 1.00 5.47 C ATOM 406 O THR A 27 -49.387 6.297 1.476 1.00 5.71 O ATOM 407 CB THR A 27 -46.570 4.896 1.883 1.00 4.75 C ATOM 408 OG1 THR A 27 -45.650 5.407 0.913 1.00 4.44 O ATOM 409 CG2 THR A 27 -45.927 3.743 2.627 1.00 4.59 C ATOM 0 H THR A 27 -46.654 3.416 -0.160 1.00 5.14 H new ATOM 0 HA THR A 27 -48.480 3.902 1.925 1.00 5.20 H new ATOM 0 HB THR A 27 -46.819 5.682 2.596 1.00 4.75 H new ATOM 0 HG1 THR A 27 -46.076 5.416 0.031 1.00 4.44 H new ATOM 0 HG21 THR A 27 -45.007 4.084 3.102 1.00 4.59 H new ATOM 0 HG22 THR A 27 -46.614 3.373 3.389 1.00 4.59 H new ATOM 0 HG23 THR A 27 -45.697 2.941 1.926 1.00 4.59 H new ATOM 417 N GLY A 28 -48.463 6.007 -0.554 1.00 5.48 N ATOM 418 CA GLY A 28 -49.109 7.171 -1.120 1.00 5.75 C ATOM 419 C GLY A 28 -48.232 8.399 -1.043 1.00 5.44 C ATOM 420 O GLY A 28 -48.725 9.505 -0.825 1.00 5.64 O ATOM 0 H GLY A 28 -47.878 5.485 -1.207 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -49.365 6.973 -2.161 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -50.044 7.359 -0.592 1.00 5.75 H new ATOM 424 N ASN A 29 -46.929 8.192 -1.221 1.00 5.01 N ATOM 425 CA ASN A 29 -45.945 9.277 -1.144 1.00 4.73 C ATOM 426 C ASN A 29 -45.997 9.936 0.229 1.00 4.74 C ATOM 427 O ASN A 29 -46.364 11.103 0.357 1.00 4.97 O ATOM 428 CB ASN A 29 -46.177 10.336 -2.234 1.00 4.95 C ATOM 429 CG ASN A 29 -45.719 9.907 -3.618 1.00 4.86 C ATOM 430 OD1 ASN A 29 -45.244 10.727 -4.403 1.00 4.99 O ATOM 431 ND2 ASN A 29 -45.881 8.633 -3.945 1.00 5.06 N ATOM 0 H ASN A 29 -46.525 7.277 -1.421 1.00 5.01 H new ATOM 0 HA ASN A 29 -44.960 8.838 -1.304 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -47.239 10.577 -2.272 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -45.653 11.250 -1.956 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -45.609 8.306 -4.872 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -46.278 7.980 -3.270 1.00 5.06 H new ATOM 438 N MET A 30 -45.653 9.171 1.255 1.00 4.58 N ATOM 439 CA MET A 30 -45.740 9.656 2.627 1.00 4.71 C ATOM 440 C MET A 30 -44.393 10.156 3.141 1.00 4.46 C ATOM 441 O MET A 30 -44.337 11.087 3.945 1.00 4.65 O ATOM 442 CB MET A 30 -46.292 8.564 3.545 1.00 4.89 C ATOM 443 CG MET A 30 -47.769 8.289 3.326 1.00 5.35 C ATOM 444 SD MET A 30 -48.780 9.763 3.558 1.00 5.80 S ATOM 445 CE MET A 30 -50.381 9.160 3.028 1.00 6.28 C ATOM 0 H MET A 30 -45.312 8.214 1.165 1.00 4.58 H new ATOM 0 HA MET A 30 -46.426 10.503 2.632 1.00 4.71 H new ATOM 0 HB2 MET A 30 -45.730 7.644 3.384 1.00 4.89 H new ATOM 0 HB3 MET A 30 -46.133 8.856 4.583 1.00 4.89 H new ATOM 0 HG2 MET A 30 -47.919 7.903 2.318 1.00 5.35 H new ATOM 0 HG3 MET A 30 -48.098 7.513 4.017 1.00 5.35 H new ATOM 0 HE1 MET A 30 -51.117 9.959 3.113 1.00 6.28 H new ATOM 0 HE2 MET A 30 -50.321 8.831 1.991 1.00 6.28 H new ATOM 0 HE3 MET A 30 -50.681 8.322 3.657 1.00 6.28 H new ATOM 455 N GLY A 31 -43.310 9.546 2.689 1.00 4.17 N ATOM 456 CA GLY A 31 -42.004 9.993 3.118 1.00 4.03 C ATOM 457 C GLY A 31 -40.977 8.886 3.136 1.00 3.77 C ATOM 458 O GLY A 31 -41.318 7.711 2.978 1.00 3.68 O ATOM 0 H GLY A 31 -43.311 8.759 2.040 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -41.662 10.787 2.455 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -42.083 10.424 4.116 1.00 4.03 H new ATOM 462 N ALA A 32 -39.723 9.269 3.343 1.00 3.73 N ATOM 463 CA ALA A 32 -38.606 8.336 3.322 1.00 3.58 C ATOM 464 C ALA A 32 -38.657 7.352 4.479 1.00 3.72 C ATOM 465 O ALA A 32 -38.634 6.142 4.275 1.00 3.56 O ATOM 466 CB ALA A 32 -37.290 9.095 3.335 1.00 3.73 C ATOM 0 H ALA A 32 -39.453 10.235 3.530 1.00 3.73 H new ATOM 0 HA ALA A 32 -38.683 7.757 2.401 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -36.461 8.387 3.319 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -37.233 9.740 2.458 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -37.230 9.704 4.237 1.00 3.73 H new ATOM 472 N GLU A 33 -38.738 7.864 5.696 1.00 4.10 N ATOM 473 CA GLU A 33 -38.730 7.007 6.872 1.00 4.38 C ATOM 474 C GLU A 33 -40.011 6.184 6.951 1.00 4.28 C ATOM 475 O GLU A 33 -40.039 5.116 7.566 1.00 4.30 O ATOM 476 CB GLU A 33 -38.536 7.832 8.140 1.00 4.91 C ATOM 477 CG GLU A 33 -37.205 8.565 8.170 1.00 5.11 C ATOM 478 CD GLU A 33 -36.960 9.281 9.477 1.00 5.12 C ATOM 479 OE1 GLU A 33 -37.425 10.430 9.625 1.00 5.46 O ATOM 480 OE2 GLU A 33 -36.314 8.691 10.368 1.00 5.09 O ATOM 0 H GLU A 33 -38.810 8.862 5.896 1.00 4.10 H new ATOM 0 HA GLU A 33 -37.890 6.317 6.784 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -39.346 8.556 8.224 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -38.604 7.176 9.008 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -36.399 7.852 7.995 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -37.175 9.287 7.354 1.00 5.11 H new ATOM 487 N VAL A 34 -41.068 6.685 6.324 1.00 4.27 N ATOM 488 CA VAL A 34 -42.318 5.945 6.225 1.00 4.34 C ATOM 489 C VAL A 34 -42.124 4.686 5.380 1.00 4.01 C ATOM 490 O VAL A 34 -42.544 3.596 5.767 1.00 4.11 O ATOM 491 CB VAL A 34 -43.445 6.814 5.620 1.00 4.54 C ATOM 492 CG1 VAL A 34 -44.749 6.035 5.526 1.00 4.83 C ATOM 493 CG2 VAL A 34 -43.644 8.075 6.445 1.00 4.88 C ATOM 0 H VAL A 34 -41.084 7.601 5.876 1.00 4.27 H new ATOM 0 HA VAL A 34 -42.614 5.661 7.235 1.00 4.34 H new ATOM 0 HB VAL A 34 -43.145 7.097 4.611 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -45.523 6.671 5.097 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -44.605 5.160 4.891 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -45.054 5.714 6.522 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -44.441 8.675 6.006 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -43.915 7.803 7.465 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -42.719 8.652 6.457 1.00 4.88 H new ATOM 503 N ALA A 35 -41.471 4.837 4.233 1.00 3.68 N ATOM 504 CA ALA A 35 -41.195 3.705 3.359 1.00 3.42 C ATOM 505 C ALA A 35 -40.012 2.889 3.874 1.00 3.28 C ATOM 506 O ALA A 35 -39.911 1.694 3.605 1.00 3.21 O ATOM 507 CB ALA A 35 -40.961 4.170 1.936 1.00 3.22 C ATOM 0 H ALA A 35 -41.124 5.732 3.888 1.00 3.68 H new ATOM 0 HA ALA A 35 -42.070 3.055 3.361 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -40.757 3.308 1.301 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -41.849 4.687 1.572 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -40.109 4.850 1.911 1.00 3.22 H new ATOM 513 N PHE A 36 -39.106 3.543 4.599 1.00 3.36 N ATOM 514 CA PHE A 36 -38.052 2.843 5.326 1.00 3.45 C ATOM 515 C PHE A 36 -38.690 1.855 6.299 1.00 3.68 C ATOM 516 O PHE A 36 -38.275 0.702 6.408 1.00 3.69 O ATOM 517 CB PHE A 36 -37.174 3.851 6.082 1.00 3.70 C ATOM 518 CG PHE A 36 -36.171 3.219 7.010 1.00 3.98 C ATOM 519 CD1 PHE A 36 -35.007 2.655 6.511 1.00 3.93 C ATOM 520 CD2 PHE A 36 -36.395 3.183 8.376 1.00 4.38 C ATOM 521 CE1 PHE A 36 -34.086 2.071 7.360 1.00 4.29 C ATOM 522 CE2 PHE A 36 -35.478 2.598 9.230 1.00 4.71 C ATOM 523 CZ PHE A 36 -34.314 2.064 8.727 1.00 4.66 C ATOM 0 H PHE A 36 -39.082 4.558 4.698 1.00 3.36 H new ATOM 0 HA PHE A 36 -37.420 2.300 4.624 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -36.643 4.469 5.358 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -37.817 4.516 6.658 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -34.818 2.672 5.448 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -37.298 3.617 8.780 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -33.190 1.621 6.959 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -35.675 2.560 10.291 1.00 4.71 H new ATOM 0 HZ PHE A 36 -33.580 1.640 9.396 1.00 4.66 H new ATOM 533 N ASN A 37 -39.723 2.321 6.990 1.00 3.94 N ATOM 534 CA ASN A 37 -40.504 1.476 7.884 1.00 4.25 C ATOM 535 C ASN A 37 -41.188 0.362 7.096 1.00 4.16 C ATOM 536 O ASN A 37 -41.236 -0.790 7.527 1.00 4.35 O ATOM 537 CB ASN A 37 -41.552 2.318 8.615 1.00 4.57 C ATOM 538 CG ASN A 37 -42.438 1.498 9.534 1.00 5.25 C ATOM 539 OD1 ASN A 37 -41.997 0.525 10.139 1.00 5.69 O ATOM 540 ND2 ASN A 37 -43.699 1.886 9.638 1.00 5.66 N ATOM 0 H ASN A 37 -40.041 3.289 6.947 1.00 3.94 H new ATOM 0 HA ASN A 37 -39.833 1.026 8.616 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -41.048 3.089 9.198 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -42.175 2.830 7.881 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -44.343 1.371 10.238 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -44.027 2.700 9.118 1.00 5.66 H new ATOM 547 N TRP A 38 -41.702 0.712 5.928 1.00 3.97 N ATOM 548 CA TRP A 38 -42.398 -0.250 5.089 1.00 4.01 C ATOM 549 C TRP A 38 -41.438 -1.336 4.605 1.00 3.81 C ATOM 550 O TRP A 38 -41.821 -2.493 4.461 1.00 4.02 O ATOM 551 CB TRP A 38 -43.057 0.453 3.894 1.00 3.96 C ATOM 552 CG TRP A 38 -44.088 -0.394 3.198 1.00 4.29 C ATOM 553 CD1 TRP A 38 -43.860 -1.383 2.285 1.00 4.58 C ATOM 554 CD2 TRP A 38 -45.509 -0.319 3.359 1.00 4.67 C ATOM 555 NE1 TRP A 38 -45.049 -1.928 1.870 1.00 4.88 N ATOM 556 CE2 TRP A 38 -46.078 -1.293 2.514 1.00 4.93 C ATOM 557 CE3 TRP A 38 -46.356 0.472 4.136 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -47.455 -1.490 2.428 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -47.719 0.276 4.048 1.00 5.81 C ATOM 560 CH2 TRP A 38 -48.258 -0.699 3.199 1.00 5.87 C ATOM 0 H TRP A 38 -41.651 1.654 5.540 1.00 3.97 H new ATOM 0 HA TRP A 38 -43.179 -0.721 5.686 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -43.526 1.375 4.238 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -42.286 0.736 3.178 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -42.885 -1.692 1.939 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -45.150 -2.683 1.192 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -45.951 1.225 4.796 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -47.872 -2.242 1.775 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -48.382 0.885 4.644 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -49.329 -0.828 3.153 1.00 5.87 H new ATOM 571 N ILE A 39 -40.184 -0.974 4.376 1.00 3.49 N ATOM 572 CA ILE A 39 -39.221 -1.927 3.849 1.00 3.34 C ATOM 573 C ILE A 39 -38.767 -2.899 4.926 1.00 3.60 C ATOM 574 O ILE A 39 -38.595 -4.086 4.663 1.00 3.69 O ATOM 575 CB ILE A 39 -38.000 -1.223 3.186 1.00 3.04 C ATOM 576 CG1 ILE A 39 -37.449 -2.083 2.051 1.00 2.98 C ATOM 577 CG2 ILE A 39 -36.884 -0.928 4.185 1.00 3.21 C ATOM 578 CD1 ILE A 39 -38.483 -2.427 1.010 1.00 3.10 C ATOM 0 H ILE A 39 -39.814 -0.039 4.545 1.00 3.49 H new ATOM 0 HA ILE A 39 -39.729 -2.493 3.068 1.00 3.34 H new ATOM 0 HB ILE A 39 -38.357 -0.270 2.796 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -36.623 -1.556 1.573 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -37.041 -3.004 2.467 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -36.057 -0.437 3.672 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -37.263 -0.274 4.971 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -36.535 -1.861 4.626 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -38.027 -3.039 0.232 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -39.298 -2.981 1.476 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -38.873 -1.510 0.568 1.00 3.10 H new ATOM 590 N ILE A 40 -38.602 -2.405 6.144 1.00 3.82 N ATOM 591 CA ILE A 40 -38.172 -3.255 7.241 1.00 4.18 C ATOM 592 C ILE A 40 -39.283 -4.217 7.656 1.00 4.46 C ATOM 593 O ILE A 40 -39.016 -5.323 8.113 1.00 4.72 O ATOM 594 CB ILE A 40 -37.643 -2.422 8.436 1.00 4.46 C ATOM 595 CG1 ILE A 40 -38.715 -1.504 9.032 1.00 4.61 C ATOM 596 CG2 ILE A 40 -36.440 -1.603 7.990 1.00 4.32 C ATOM 597 CD1 ILE A 40 -39.574 -2.168 10.090 1.00 5.04 C ATOM 0 H ILE A 40 -38.758 -1.429 6.395 1.00 3.82 H new ATOM 0 HA ILE A 40 -37.336 -3.859 6.888 1.00 4.18 H new ATOM 0 HB ILE A 40 -37.351 -3.120 9.221 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -38.230 -0.630 9.468 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -39.358 -1.144 8.229 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -36.067 -1.017 8.830 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -35.655 -2.272 7.638 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -36.735 -0.933 7.183 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -40.308 -1.454 10.463 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -40.089 -3.025 9.655 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -38.943 -2.503 10.913 1.00 5.04 H new ATOM 609 N VAL A 41 -40.530 -3.805 7.490 1.00 4.47 N ATOM 610 CA VAL A 41 -41.650 -4.697 7.749 1.00 4.80 C ATOM 611 C VAL A 41 -41.896 -5.624 6.550 1.00 4.72 C ATOM 612 O VAL A 41 -42.495 -6.690 6.690 1.00 5.04 O ATOM 613 CB VAL A 41 -42.939 -3.921 8.113 1.00 4.99 C ATOM 614 CG1 VAL A 41 -43.511 -3.182 6.918 1.00 5.34 C ATOM 615 CG2 VAL A 41 -43.980 -4.847 8.719 1.00 5.37 C ATOM 0 H VAL A 41 -40.791 -2.869 7.180 1.00 4.47 H new ATOM 0 HA VAL A 41 -41.384 -5.306 8.613 1.00 4.80 H new ATOM 0 HB VAL A 41 -42.665 -3.175 8.859 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -44.415 -2.651 7.217 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -42.776 -2.468 6.546 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -43.754 -3.896 6.131 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -44.875 -4.276 8.965 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -44.233 -5.628 8.002 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -43.579 -5.302 9.625 1.00 5.37 H new ATOM 625 N HIS A 42 -41.422 -5.224 5.368 1.00 4.36 N ATOM 626 CA HIS A 42 -41.638 -6.011 4.151 1.00 4.38 C ATOM 627 C HIS A 42 -40.380 -6.808 3.778 1.00 4.19 C ATOM 628 O HIS A 42 -40.357 -7.520 2.773 1.00 4.21 O ATOM 629 CB HIS A 42 -42.049 -5.078 3.001 1.00 4.29 C ATOM 630 CG HIS A 42 -42.576 -5.771 1.779 1.00 4.59 C ATOM 631 ND1 HIS A 42 -41.860 -5.873 0.607 1.00 4.88 N ATOM 632 CD2 HIS A 42 -43.769 -6.368 1.540 1.00 5.00 C ATOM 633 CE1 HIS A 42 -42.585 -6.501 -0.298 1.00 5.32 C ATOM 634 NE2 HIS A 42 -43.746 -6.812 0.241 1.00 5.35 N ATOM 0 H HIS A 42 -40.889 -4.366 5.227 1.00 4.36 H new ATOM 0 HA HIS A 42 -42.439 -6.727 4.335 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -42.811 -4.389 3.367 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -41.186 -4.476 2.715 1.00 4.29 H new ATOM 0 HD2 HIS A 42 -44.585 -6.474 2.240 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -42.279 -6.723 -1.310 1.00 5.32 H new ATOM 0 HE2 HIS A 42 -44.505 -7.303 -0.231 1.00 5.35 H new ATOM 643 N MET A 43 -39.339 -6.690 4.597 1.00 4.14 N ATOM 644 CA MET A 43 -38.052 -7.351 4.343 1.00 4.14 C ATOM 645 C MET A 43 -38.166 -8.876 4.341 1.00 4.46 C ATOM 646 O MET A 43 -37.340 -9.560 3.741 1.00 4.53 O ATOM 647 CB MET A 43 -37.018 -6.928 5.392 1.00 4.26 C ATOM 648 CG MET A 43 -37.349 -7.400 6.801 1.00 4.64 C ATOM 649 SD MET A 43 -36.123 -6.892 8.020 1.00 4.92 S ATOM 650 CE MET A 43 -36.930 -7.414 9.534 1.00 5.73 C ATOM 0 H MET A 43 -39.358 -6.137 5.454 1.00 4.14 H new ATOM 0 HA MET A 43 -37.732 -7.036 3.350 1.00 4.14 H new ATOM 0 HB2 MET A 43 -36.042 -7.321 5.107 1.00 4.26 H new ATOM 0 HB3 MET A 43 -36.937 -5.841 5.392 1.00 4.26 H new ATOM 0 HG2 MET A 43 -38.324 -7.008 7.090 1.00 4.64 H new ATOM 0 HG3 MET A 43 -37.428 -8.487 6.805 1.00 4.64 H new ATOM 0 HE1 MET A 43 -36.551 -6.826 10.370 1.00 5.73 H new ATOM 0 HE2 MET A 43 -38.006 -7.264 9.443 1.00 5.73 H new ATOM 0 HE3 MET A 43 -36.725 -8.470 9.710 1.00 5.73 H new ATOM 1066 N GLN A 76 24.322 -3.662 1.288 1.00 5.05 N ATOM 1067 CA GLN A 76 25.606 -4.033 1.819 1.00 4.93 C ATOM 1068 C GLN A 76 26.544 -4.394 0.677 1.00 4.67 C ATOM 1069 O GLN A 76 26.116 -4.997 -0.311 1.00 4.88 O ATOM 1070 CB GLN A 76 25.481 -5.214 2.784 1.00 5.47 C ATOM 1071 CG GLN A 76 26.752 -5.463 3.580 1.00 5.74 C ATOM 1072 CD GLN A 76 26.773 -6.808 4.284 1.00 6.61 C ATOM 1073 OE1 GLN A 76 27.837 -7.394 4.496 1.00 7.14 O ATOM 1074 NE2 GLN A 76 25.606 -7.309 4.653 1.00 7.04 N ATOM 0 HA GLN A 76 26.010 -3.185 2.372 1.00 4.93 H new ATOM 0 HB2 GLN A 76 24.657 -5.028 3.473 1.00 5.47 H new ATOM 0 HB3 GLN A 76 25.229 -6.112 2.220 1.00 5.47 H new ATOM 0 HG2 GLN A 76 27.609 -5.399 2.910 1.00 5.74 H new ATOM 0 HG3 GLN A 76 26.868 -4.672 4.321 1.00 5.74 H new ATOM 0 HE21 GLN A 76 24.746 -6.795 4.460 1.00 7.04 H new ATOM 0 HE22 GLN A 76 25.566 -8.210 5.130 1.00 7.04 H new ATOM 1083 N PRO A 77 27.819 -3.986 0.774 1.00 4.45 N ATOM 1084 CA PRO A 77 28.866 -4.436 -0.147 1.00 4.52 C ATOM 1085 C PRO A 77 28.941 -5.958 -0.214 1.00 5.11 C ATOM 1086 O PRO A 77 28.378 -6.651 0.632 1.00 5.41 O ATOM 1087 CB PRO A 77 30.140 -3.882 0.489 1.00 4.27 C ATOM 1088 CG PRO A 77 29.696 -2.684 1.225 1.00 4.17 C ATOM 1089 CD PRO A 77 28.343 -3.032 1.769 1.00 4.44 C ATOM 0 HA PRO A 77 28.694 -4.101 -1.170 1.00 4.52 H new ATOM 0 HB2 PRO A 77 30.599 -4.611 1.157 1.00 4.27 H new ATOM 0 HB3 PRO A 77 30.884 -3.630 -0.267 1.00 4.27 H new ATOM 0 HG2 PRO A 77 30.391 -2.436 2.028 1.00 4.17 H new ATOM 0 HG3 PRO A 77 29.644 -1.816 0.568 1.00 4.17 H new ATOM 0 HD2 PRO A 77 28.410 -3.480 2.761 1.00 4.44 H new ATOM 0 HD3 PRO A 77 27.706 -2.152 1.859 1.00 4.44 H new ATOM 1097 N PRO A 78 29.657 -6.501 -1.204 1.00 5.63 N ATOM 1098 CA PRO A 78 29.814 -7.944 -1.348 1.00 6.52 C ATOM 1099 C PRO A 78 30.572 -8.514 -0.165 1.00 6.80 C ATOM 1100 O PRO A 78 31.771 -8.264 -0.013 1.00 6.74 O ATOM 1101 CB PRO A 78 30.616 -8.090 -2.646 1.00 7.14 C ATOM 1102 CG PRO A 78 31.326 -6.791 -2.788 1.00 6.55 C ATOM 1103 CD PRO A 78 30.395 -5.761 -2.238 1.00 5.69 C ATOM 0 HA PRO A 78 28.866 -8.481 -1.381 1.00 6.52 H new ATOM 0 HB2 PRO A 78 31.317 -8.922 -2.589 1.00 7.14 H new ATOM 0 HB3 PRO A 78 29.963 -8.282 -3.498 1.00 7.14 H new ATOM 0 HG2 PRO A 78 32.269 -6.798 -2.242 1.00 6.55 H new ATOM 0 HG3 PRO A 78 31.564 -6.587 -3.832 1.00 6.55 H new ATOM 0 HD2 PRO A 78 30.935 -4.912 -1.819 1.00 5.69 H new ATOM 0 HD3 PRO A 78 29.729 -5.368 -3.006 1.00 5.69 H new ATOM 1111 N GLU A 79 29.865 -9.258 0.681 1.00 7.24 N ATOM 1112 CA GLU A 79 30.454 -9.845 1.871 1.00 7.85 C ATOM 1113 C GLU A 79 31.620 -10.744 1.493 1.00 8.62 C ATOM 1114 O GLU A 79 32.507 -10.997 2.303 1.00 8.98 O ATOM 1115 CB GLU A 79 29.410 -10.633 2.652 1.00 8.51 C ATOM 1116 CG GLU A 79 28.941 -11.881 1.941 1.00 9.18 C ATOM 1117 CD GLU A 79 27.791 -12.547 2.664 1.00 9.68 C ATOM 1118 OE1 GLU A 79 28.039 -13.337 3.594 1.00 10.13 O ATOM 1119 OE2 GLU A 79 26.625 -12.297 2.290 1.00 9.76 O ATOM 0 H GLU A 79 28.874 -9.467 0.558 1.00 7.24 H new ATOM 0 HA GLU A 79 30.824 -9.040 2.506 1.00 7.85 H new ATOM 0 HB2 GLU A 79 29.826 -10.911 3.621 1.00 8.51 H new ATOM 0 HB3 GLU A 79 28.551 -9.990 2.846 1.00 8.51 H new ATOM 0 HG2 GLU A 79 28.633 -11.626 0.927 1.00 9.18 H new ATOM 0 HG3 GLU A 79 29.771 -12.583 1.855 1.00 9.18 H new ATOM 1126 N GLU A 80 31.598 -11.222 0.256 1.00 9.00 N ATOM 1127 CA GLU A 80 32.720 -11.947 -0.305 1.00 9.80 C ATOM 1128 C GLU A 80 33.967 -11.070 -0.298 1.00 9.30 C ATOM 1129 O GLU A 80 35.007 -11.452 0.235 1.00 9.74 O ATOM 1130 CB GLU A 80 32.382 -12.383 -1.737 1.00 10.33 C ATOM 1131 CG GLU A 80 33.571 -12.411 -2.684 1.00 10.80 C ATOM 1132 CD GLU A 80 33.169 -12.719 -4.110 1.00 11.40 C ATOM 1133 OE1 GLU A 80 32.408 -11.927 -4.702 1.00 11.61 O ATOM 1134 OE2 GLU A 80 33.605 -13.759 -4.642 1.00 11.78 O ATOM 0 H GLU A 80 30.807 -11.117 -0.379 1.00 9.00 H new ATOM 0 HA GLU A 80 32.918 -12.832 0.300 1.00 9.80 H new ATOM 0 HB2 GLU A 80 31.935 -13.377 -1.705 1.00 10.33 H new ATOM 0 HB3 GLU A 80 31.628 -11.708 -2.141 1.00 10.33 H new ATOM 0 HG2 GLU A 80 34.079 -11.447 -2.653 1.00 10.80 H new ATOM 0 HG3 GLU A 80 34.286 -13.159 -2.342 1.00 10.80 H new ATOM 1141 N ILE A 81 33.837 -9.881 -0.866 1.00 8.42 N ATOM 1142 CA ILE A 81 34.961 -8.978 -1.007 1.00 7.96 C ATOM 1143 C ILE A 81 35.345 -8.350 0.321 1.00 7.34 C ATOM 1144 O ILE A 81 36.530 -8.254 0.628 1.00 7.45 O ATOM 1145 CB ILE A 81 34.686 -7.876 -2.042 1.00 7.44 C ATOM 1146 CG1 ILE A 81 34.599 -8.478 -3.445 1.00 8.39 C ATOM 1147 CG2 ILE A 81 35.774 -6.819 -1.974 1.00 6.94 C ATOM 1148 CD1 ILE A 81 34.257 -7.466 -4.515 1.00 8.28 C ATOM 0 H ILE A 81 32.958 -9.521 -1.238 1.00 8.42 H new ATOM 0 HA ILE A 81 35.796 -9.582 -1.362 1.00 7.96 H new ATOM 0 HB ILE A 81 33.730 -7.403 -1.815 1.00 7.44 H new ATOM 0 HG12 ILE A 81 35.552 -8.947 -3.690 1.00 8.39 H new ATOM 0 HG13 ILE A 81 33.846 -9.266 -3.448 1.00 8.39 H new ATOM 0 HG21 ILE A 81 35.572 -6.041 -2.711 1.00 6.94 H new ATOM 0 HG22 ILE A 81 35.792 -6.379 -0.977 1.00 6.94 H new ATOM 0 HG23 ILE A 81 36.740 -7.277 -2.186 1.00 6.94 H new ATOM 0 HD11 ILE A 81 34.212 -7.962 -5.484 1.00 8.28 H new ATOM 0 HD12 ILE A 81 33.290 -7.015 -4.293 1.00 8.28 H new ATOM 0 HD13 ILE A 81 35.022 -6.690 -4.540 1.00 8.28 H new ATOM 1160 N VAL A 82 34.359 -7.935 1.113 1.00 6.83 N ATOM 1161 CA VAL A 82 34.648 -7.358 2.415 1.00 6.55 C ATOM 1162 C VAL A 82 35.495 -8.350 3.209 1.00 7.54 C ATOM 1163 O VAL A 82 36.432 -7.968 3.900 1.00 7.57 O ATOM 1164 CB VAL A 82 33.369 -6.993 3.213 1.00 6.32 C ATOM 1165 CG1 VAL A 82 32.404 -6.177 2.370 1.00 5.50 C ATOM 1166 CG2 VAL A 82 32.684 -8.230 3.761 1.00 7.25 C ATOM 0 H VAL A 82 33.368 -7.988 0.877 1.00 6.83 H new ATOM 0 HA VAL A 82 35.187 -6.424 2.256 1.00 6.55 H new ATOM 0 HB VAL A 82 33.682 -6.380 4.058 1.00 6.32 H new ATOM 0 HG11 VAL A 82 31.519 -5.938 2.959 1.00 5.50 H new ATOM 0 HG12 VAL A 82 32.889 -5.254 2.053 1.00 5.50 H new ATOM 0 HG13 VAL A 82 32.111 -6.753 1.492 1.00 5.50 H new ATOM 0 HG21 VAL A 82 31.792 -7.937 4.314 1.00 7.25 H new ATOM 0 HG22 VAL A 82 32.401 -8.884 2.937 1.00 7.25 H new ATOM 0 HG23 VAL A 82 33.366 -8.759 4.426 1.00 7.25 H new ATOM 1176 N ALA A 83 35.164 -9.631 3.040 1.00 8.43 N ATOM 1177 CA ALA A 83 35.895 -10.737 3.633 1.00 9.53 C ATOM 1178 C ALA A 83 37.332 -10.774 3.132 1.00 9.70 C ATOM 1179 O ALA A 83 38.274 -10.891 3.916 1.00 10.09 O ATOM 1180 CB ALA A 83 35.185 -12.026 3.280 1.00 10.39 C ATOM 0 H ALA A 83 34.367 -9.927 2.477 1.00 8.43 H new ATOM 0 HA ALA A 83 35.927 -10.609 4.715 1.00 9.53 H new ATOM 0 HB1 ALA A 83 35.721 -12.868 3.718 1.00 10.39 H new ATOM 0 HB2 ALA A 83 34.168 -12.000 3.671 1.00 10.39 H new ATOM 0 HB3 ALA A 83 35.154 -12.139 2.196 1.00 10.39 H new ATOM 1186 N ILE A 84 37.490 -10.667 1.820 1.00 9.53 N ATOM 1187 CA ILE A 84 38.802 -10.658 1.195 1.00 9.80 C ATOM 1188 C ILE A 84 39.625 -9.486 1.711 1.00 9.04 C ATOM 1189 O ILE A 84 40.811 -9.621 2.002 1.00 9.43 O ATOM 1190 CB ILE A 84 38.667 -10.563 -0.341 1.00 9.84 C ATOM 1191 CG1 ILE A 84 37.995 -11.824 -0.888 1.00 10.78 C ATOM 1192 CG2 ILE A 84 40.027 -10.351 -0.993 1.00 10.13 C ATOM 1193 CD1 ILE A 84 37.189 -11.591 -2.145 1.00 10.71 C ATOM 0 H ILE A 84 36.715 -10.584 1.163 1.00 9.53 H new ATOM 0 HA ILE A 84 39.309 -11.589 1.449 1.00 9.80 H new ATOM 0 HB ILE A 84 38.043 -9.702 -0.582 1.00 9.84 H new ATOM 0 HG12 ILE A 84 38.761 -12.573 -1.092 1.00 10.78 H new ATOM 0 HG13 ILE A 84 37.341 -12.238 -0.120 1.00 10.78 H new ATOM 0 HG21 ILE A 84 39.906 -10.287 -2.074 1.00 10.13 H new ATOM 0 HG22 ILE A 84 40.468 -9.426 -0.622 1.00 10.13 H new ATOM 0 HG23 ILE A 84 40.682 -11.188 -0.750 1.00 10.13 H new ATOM 0 HD11 ILE A 84 36.744 -12.531 -2.471 1.00 10.71 H new ATOM 0 HD12 ILE A 84 36.400 -10.867 -1.942 1.00 10.71 H new ATOM 0 HD13 ILE A 84 37.841 -11.207 -2.929 1.00 10.71 H new ATOM 1205 N ILE A 85 38.974 -8.343 1.848 1.00 8.01 N ATOM 1206 CA ILE A 85 39.635 -7.135 2.297 1.00 7.27 C ATOM 1207 C ILE A 85 40.091 -7.249 3.747 1.00 7.66 C ATOM 1208 O ILE A 85 41.221 -6.889 4.083 1.00 7.73 O ATOM 1209 CB ILE A 85 38.713 -5.924 2.140 1.00 6.22 C ATOM 1210 CG1 ILE A 85 38.319 -5.768 0.677 1.00 6.07 C ATOM 1211 CG2 ILE A 85 39.395 -4.668 2.654 1.00 5.61 C ATOM 1212 CD1 ILE A 85 37.265 -4.711 0.436 1.00 5.25 C ATOM 0 H ILE A 85 37.980 -8.229 1.652 1.00 8.01 H new ATOM 0 HA ILE A 85 40.517 -6.999 1.672 1.00 7.27 H new ATOM 0 HB ILE A 85 37.811 -6.081 2.731 1.00 6.22 H new ATOM 0 HG12 ILE A 85 39.207 -5.520 0.096 1.00 6.07 H new ATOM 0 HG13 ILE A 85 37.952 -6.725 0.306 1.00 6.07 H new ATOM 0 HG21 ILE A 85 38.726 -3.816 2.535 1.00 5.61 H new ATOM 0 HG22 ILE A 85 39.640 -4.793 3.709 1.00 5.61 H new ATOM 0 HG23 ILE A 85 40.310 -4.493 2.088 1.00 5.61 H new ATOM 0 HD11 ILE A 85 37.038 -4.660 -0.629 1.00 5.25 H new ATOM 0 HD12 ILE A 85 36.361 -4.967 0.988 1.00 5.25 H new ATOM 0 HD13 ILE A 85 37.636 -3.744 0.775 1.00 5.25 H new ATOM 1224 N THR A 86 39.226 -7.758 4.611 1.00 8.07 N ATOM 1225 CA THR A 86 39.615 -7.962 5.998 1.00 8.77 C ATOM 1226 C THR A 86 40.613 -9.120 6.117 1.00 9.82 C ATOM 1227 O THR A 86 41.362 -9.211 7.091 1.00 10.38 O ATOM 1228 CB THR A 86 38.407 -8.136 6.962 1.00 9.14 C ATOM 1229 OG1 THR A 86 38.843 -8.629 8.235 1.00 10.16 O ATOM 1230 CG2 THR A 86 37.333 -9.041 6.400 1.00 9.36 C ATOM 0 H THR A 86 38.270 -8.032 4.384 1.00 8.07 H new ATOM 0 HA THR A 86 40.110 -7.046 6.320 1.00 8.77 H new ATOM 0 HB THR A 86 37.965 -7.147 7.085 1.00 9.14 H new ATOM 0 HG1 THR A 86 39.520 -8.025 8.605 1.00 10.16 H new ATOM 0 HG21 THR A 86 36.516 -9.125 7.117 1.00 9.36 H new ATOM 0 HG22 THR A 86 36.956 -8.622 5.467 1.00 9.36 H new ATOM 0 HG23 THR A 86 37.752 -10.029 6.211 1.00 9.36 H new ATOM 1238 N SER A 87 40.637 -9.988 5.112 1.00 10.16 N ATOM 1239 CA SER A 87 41.652 -11.030 5.025 1.00 11.17 C ATOM 1240 C SER A 87 42.989 -10.419 4.582 1.00 10.93 C ATOM 1241 O SER A 87 44.059 -10.928 4.908 1.00 11.68 O ATOM 1242 CB SER A 87 41.203 -12.132 4.052 1.00 11.77 C ATOM 1243 OG SER A 87 42.058 -13.264 4.108 1.00 12.35 O ATOM 0 H SER A 87 39.964 -9.990 4.345 1.00 10.16 H new ATOM 0 HA SER A 87 41.786 -11.482 6.008 1.00 11.17 H new ATOM 0 HB2 SER A 87 40.183 -12.434 4.290 1.00 11.77 H new ATOM 0 HB3 SER A 87 41.189 -11.737 3.036 1.00 11.77 H new ATOM 0 HG SER A 87 41.741 -13.945 3.478 1.00 12.35 H new ATOM 1249 N MET A 88 42.916 -9.308 3.846 1.00 9.91 N ATOM 1250 CA MET A 88 44.115 -8.585 3.413 1.00 9.62 C ATOM 1251 C MET A 88 44.815 -7.945 4.601 1.00 9.52 C ATOM 1252 O MET A 88 46.006 -7.638 4.549 1.00 9.66 O ATOM 1253 CB MET A 88 43.763 -7.490 2.406 1.00 8.63 C ATOM 1254 CG MET A 88 43.305 -7.992 1.041 1.00 8.93 C ATOM 1255 SD MET A 88 44.566 -8.945 0.163 1.00 10.15 S ATOM 1256 CE MET A 88 44.390 -10.567 0.907 1.00 10.33 C ATOM 0 H MET A 88 42.039 -8.889 3.537 1.00 9.91 H new ATOM 0 HA MET A 88 44.778 -9.311 2.942 1.00 9.62 H new ATOM 0 HB2 MET A 88 42.976 -6.867 2.830 1.00 8.63 H new ATOM 0 HB3 MET A 88 44.635 -6.851 2.267 1.00 8.63 H new ATOM 0 HG2 MET A 88 42.417 -8.611 1.169 1.00 8.93 H new ATOM 0 HG3 MET A 88 43.013 -7.139 0.428 1.00 8.93 H new ATOM 0 HE1 MET A 88 45.269 -10.787 1.512 1.00 10.33 H new ATOM 0 HE2 MET A 88 43.502 -10.583 1.538 1.00 10.33 H new ATOM 0 HE3 MET A 88 44.292 -11.318 0.123 1.00 10.33 H new ATOM 1266 N GLY A 89 44.056 -7.723 5.655 1.00 9.41 N ATOM 1267 CA GLY A 89 44.593 -7.119 6.852 1.00 9.53 C ATOM 1268 C GLY A 89 43.728 -5.979 7.337 1.00 8.82 C ATOM 1269 O GLY A 89 43.968 -5.403 8.399 1.00 9.04 O ATOM 0 H GLY A 89 43.064 -7.953 5.704 1.00 9.41 H new ATOM 0 HA2 GLY A 89 44.675 -7.873 7.635 1.00 9.53 H new ATOM 0 HA3 GLY A 89 45.601 -6.753 6.655 1.00 9.53 H new ATOM 1273 N PHE A 90 42.711 -5.657 6.549 1.00 8.10 N ATOM 1274 CA PHE A 90 41.812 -4.561 6.860 1.00 7.50 C ATOM 1275 C PHE A 90 40.628 -5.055 7.679 1.00 8.05 C ATOM 1276 O PHE A 90 40.580 -6.220 8.074 1.00 8.89 O ATOM 1277 CB PHE A 90 41.351 -3.901 5.558 1.00 6.45 C ATOM 1278 CG PHE A 90 42.506 -3.369 4.749 1.00 6.07 C ATOM 1279 CD1 PHE A 90 43.450 -2.537 5.322 1.00 6.07 C ATOM 1280 CD2 PHE A 90 42.637 -3.699 3.406 1.00 5.98 C ATOM 1281 CE1 PHE A 90 44.505 -2.046 4.576 1.00 5.89 C ATOM 1282 CE2 PHE A 90 43.690 -3.208 2.656 1.00 5.84 C ATOM 1283 CZ PHE A 90 44.646 -2.390 3.266 1.00 5.76 C ATOM 0 H PHE A 90 42.489 -6.147 5.682 1.00 8.10 H new ATOM 0 HA PHE A 90 42.337 -3.820 7.462 1.00 7.50 H new ATOM 0 HB2 PHE A 90 40.796 -4.625 4.962 1.00 6.45 H new ATOM 0 HB3 PHE A 90 40.665 -3.086 5.789 1.00 6.45 H new ATOM 0 HD1 PHE A 90 43.362 -2.268 6.364 1.00 6.07 H new ATOM 0 HD2 PHE A 90 41.908 -4.347 2.942 1.00 5.98 H new ATOM 0 HE1 PHE A 90 45.224 -1.384 5.036 1.00 5.89 H new ATOM 0 HE2 PHE A 90 43.773 -3.454 1.608 1.00 5.84 H new ATOM 0 HZ PHE A 90 45.493 -2.032 2.700 1.00 5.76 H new ATOM 1293 N GLN A 91 39.696 -4.163 7.961 1.00 7.71 N ATOM 1294 CA GLN A 91 38.503 -4.513 8.708 1.00 8.28 C ATOM 1295 C GLN A 91 37.346 -4.763 7.747 1.00 7.66 C ATOM 1296 O GLN A 91 37.285 -4.133 6.695 1.00 6.72 O ATOM 1297 CB GLN A 91 38.161 -3.380 9.680 1.00 8.59 C ATOM 1298 CG GLN A 91 36.861 -3.585 10.435 1.00 9.30 C ATOM 1299 CD GLN A 91 36.481 -2.391 11.285 1.00 9.79 C ATOM 1300 OE1 GLN A 91 35.771 -1.494 10.834 1.00 10.05 O ATOM 1301 NE2 GLN A 91 36.948 -2.371 12.521 1.00 10.16 N ATOM 0 H GLN A 91 39.744 -3.183 7.681 1.00 7.71 H new ATOM 0 HA GLN A 91 38.681 -5.425 9.278 1.00 8.28 H new ATOM 0 HB2 GLN A 91 38.974 -3.274 10.399 1.00 8.59 H new ATOM 0 HB3 GLN A 91 38.103 -2.444 9.125 1.00 8.59 H new ATOM 0 HG2 GLN A 91 36.061 -3.788 9.723 1.00 9.30 H new ATOM 0 HG3 GLN A 91 36.951 -4.465 11.072 1.00 9.30 H new ATOM 0 HE21 GLN A 91 37.534 -3.135 12.857 1.00 10.16 H new ATOM 0 HE22 GLN A 91 36.722 -1.591 13.139 1.00 10.16 H new ATOM 1310 N ARG A 92 36.445 -5.678 8.091 1.00 8.25 N ATOM 1311 CA ARG A 92 35.283 -5.963 7.250 1.00 7.79 C ATOM 1312 C ARG A 92 34.475 -4.694 7.008 1.00 7.08 C ATOM 1313 O ARG A 92 34.206 -4.321 5.870 1.00 6.21 O ATOM 1314 CB ARG A 92 34.380 -7.000 7.909 1.00 8.69 C ATOM 1315 CG ARG A 92 33.154 -7.324 7.079 1.00 8.30 C ATOM 1316 CD ARG A 92 31.941 -7.591 7.948 1.00 8.98 C ATOM 1317 NE ARG A 92 32.107 -8.769 8.801 1.00 10.14 N ATOM 1318 CZ ARG A 92 31.116 -9.327 9.494 1.00 10.93 C ATOM 1319 NH1 ARG A 92 29.869 -8.904 9.334 1.00 10.74 N ATOM 1320 NH2 ARG A 92 31.366 -10.331 10.325 1.00 11.98 N ATOM 0 H ARG A 92 36.495 -6.235 8.944 1.00 8.25 H new ATOM 0 HA ARG A 92 35.650 -6.352 6.300 1.00 7.79 H new ATOM 0 HB2 ARG A 92 34.949 -7.914 8.080 1.00 8.69 H new ATOM 0 HB3 ARG A 92 34.065 -6.633 8.886 1.00 8.69 H new ATOM 0 HG2 ARG A 92 32.942 -6.495 6.404 1.00 8.30 H new ATOM 0 HG3 ARG A 92 33.356 -8.197 6.458 1.00 8.30 H new ATOM 0 HD2 ARG A 92 31.747 -6.719 8.573 1.00 8.98 H new ATOM 0 HD3 ARG A 92 31.066 -7.728 7.312 1.00 8.98 H new ATOM 0 HE ARG A 92 33.035 -9.187 8.869 1.00 10.14 H new ATOM 0 HH11 ARG A 92 29.667 -8.149 8.679 1.00 10.74 H new ATOM 0 HH12 ARG A 92 29.112 -9.334 9.866 1.00 10.74 H new ATOM 0 HH21 ARG A 92 32.319 -10.677 10.434 1.00 11.98 H new ATOM 0 HH22 ARG A 92 30.605 -10.756 10.854 1.00 11.98 H new ATOM 1334 N ASN A 93 34.085 -4.041 8.094 1.00 7.66 N ATOM 1335 CA ASN A 93 33.323 -2.792 8.026 1.00 7.40 C ATOM 1336 C ASN A 93 34.089 -1.725 7.248 1.00 6.66 C ATOM 1337 O ASN A 93 33.503 -0.940 6.501 1.00 6.20 O ATOM 1338 CB ASN A 93 33.009 -2.297 9.438 1.00 8.50 C ATOM 1339 CG ASN A 93 32.176 -1.029 9.446 1.00 8.62 C ATOM 1340 OD1 ASN A 93 30.944 -1.084 9.406 1.00 8.59 O ATOM 1341 ND2 ASN A 93 32.831 0.121 9.516 1.00 9.02 N ATOM 0 H ASN A 93 34.284 -4.356 9.044 1.00 7.66 H new ATOM 0 HA ASN A 93 32.389 -2.986 7.499 1.00 7.40 H new ATOM 0 HB2 ASN A 93 32.478 -3.078 9.982 1.00 8.50 H new ATOM 0 HB3 ASN A 93 33.943 -2.116 9.970 1.00 8.50 H new ATOM 0 HD21 ASN A 93 32.316 1.001 9.539 1.00 9.02 H new ATOM 0 HD22 ASN A 93 33.851 0.126 9.547 1.00 9.02 H new ATOM 1348 N GLN A 94 35.404 -1.722 7.423 1.00 6.68 N ATOM 1349 CA GLN A 94 36.284 -0.820 6.692 1.00 6.08 C ATOM 1350 C GLN A 94 36.235 -1.150 5.207 1.00 5.11 C ATOM 1351 O GLN A 94 36.231 -0.263 4.352 1.00 4.70 O ATOM 1352 CB GLN A 94 37.704 -0.937 7.254 1.00 6.39 C ATOM 1353 CG GLN A 94 38.822 -0.517 6.310 1.00 5.72 C ATOM 1354 CD GLN A 94 40.149 -0.389 7.032 1.00 6.13 C ATOM 1355 OE1 GLN A 94 40.892 -1.358 7.156 1.00 6.28 O ATOM 1356 NE2 GLN A 94 40.460 0.801 7.515 1.00 6.56 N ATOM 0 H GLN A 94 35.889 -2.342 8.072 1.00 6.68 H new ATOM 0 HA GLN A 94 35.955 0.212 6.813 1.00 6.08 H new ATOM 0 HB2 GLN A 94 37.769 -0.331 8.158 1.00 6.39 H new ATOM 0 HB3 GLN A 94 37.874 -1.972 7.552 1.00 6.39 H new ATOM 0 HG2 GLN A 94 38.914 -1.248 5.507 1.00 5.72 H new ATOM 0 HG3 GLN A 94 38.567 0.436 5.846 1.00 5.72 H new ATOM 0 HE21 GLN A 94 39.818 1.584 7.393 1.00 6.56 H new ATOM 0 HE22 GLN A 94 41.342 0.936 8.009 1.00 6.56 H new ATOM 1365 N ALA A 95 36.167 -2.440 4.920 1.00 5.10 N ATOM 1366 CA ALA A 95 36.014 -2.926 3.565 1.00 4.58 C ATOM 1367 C ALA A 95 34.657 -2.523 2.998 1.00 4.24 C ATOM 1368 O ALA A 95 34.548 -2.160 1.828 1.00 3.93 O ATOM 1369 CB ALA A 95 36.175 -4.432 3.557 1.00 5.22 C ATOM 0 H ALA A 95 36.217 -3.177 5.623 1.00 5.10 H new ATOM 0 HA ALA A 95 36.781 -2.480 2.932 1.00 4.58 H new ATOM 0 HB1 ALA A 95 36.061 -4.805 2.539 1.00 5.22 H new ATOM 0 HB2 ALA A 95 37.165 -4.694 3.931 1.00 5.22 H new ATOM 0 HB3 ALA A 95 35.415 -4.883 4.196 1.00 5.22 H new ATOM 1375 N ILE A 96 33.626 -2.583 3.840 1.00 4.61 N ATOM 1376 CA ILE A 96 32.282 -2.197 3.435 1.00 4.48 C ATOM 1377 C ILE A 96 32.245 -0.743 2.975 1.00 4.45 C ATOM 1378 O ILE A 96 31.782 -0.440 1.876 1.00 4.33 O ATOM 1379 CB ILE A 96 31.250 -2.404 4.576 1.00 5.19 C ATOM 1380 CG1 ILE A 96 30.766 -3.847 4.597 1.00 5.44 C ATOM 1381 CG2 ILE A 96 30.071 -1.458 4.426 1.00 5.34 C ATOM 1382 CD1 ILE A 96 31.091 -4.571 5.876 1.00 6.39 C ATOM 0 H ILE A 96 33.700 -2.896 4.808 1.00 4.61 H new ATOM 0 HA ILE A 96 32.008 -2.846 2.603 1.00 4.48 H new ATOM 0 HB ILE A 96 31.745 -2.183 5.522 1.00 5.19 H new ATOM 0 HG12 ILE A 96 29.687 -3.862 4.444 1.00 5.44 H new ATOM 0 HG13 ILE A 96 31.214 -4.384 3.761 1.00 5.44 H new ATOM 0 HG21 ILE A 96 29.364 -1.626 5.239 1.00 5.34 H new ATOM 0 HG22 ILE A 96 30.425 -0.428 4.459 1.00 5.34 H new ATOM 0 HG23 ILE A 96 29.577 -1.641 3.472 1.00 5.34 H new ATOM 0 HD11 ILE A 96 30.717 -5.593 5.821 1.00 6.39 H new ATOM 0 HD12 ILE A 96 32.171 -4.587 6.020 1.00 6.39 H new ATOM 0 HD13 ILE A 96 30.621 -4.057 6.714 1.00 6.39 H new ATOM 1394 N GLN A 97 32.753 0.145 3.814 1.00 4.95 N ATOM 1395 CA GLN A 97 32.775 1.567 3.500 1.00 5.42 C ATOM 1396 C GLN A 97 33.549 1.826 2.221 1.00 5.09 C ATOM 1397 O GLN A 97 33.139 2.631 1.379 1.00 5.57 O ATOM 1398 CB GLN A 97 33.405 2.347 4.637 1.00 6.13 C ATOM 1399 CG GLN A 97 33.393 3.847 4.414 1.00 6.88 C ATOM 1400 CD GLN A 97 33.773 4.625 5.655 1.00 7.78 C ATOM 1401 OE1 GLN A 97 34.553 4.158 6.483 1.00 8.13 O ATOM 1402 NE2 GLN A 97 33.222 5.820 5.792 1.00 8.36 N ATOM 0 H GLN A 97 33.157 -0.093 4.720 1.00 4.95 H new ATOM 0 HA GLN A 97 31.745 1.896 3.361 1.00 5.42 H new ATOM 0 HB2 GLN A 97 32.875 2.120 5.562 1.00 6.13 H new ATOM 0 HB3 GLN A 97 34.435 2.015 4.770 1.00 6.13 H new ATOM 0 HG2 GLN A 97 34.084 4.096 3.608 1.00 6.88 H new ATOM 0 HG3 GLN A 97 32.399 4.154 4.088 1.00 6.88 H new ATOM 0 HE21 GLN A 97 32.580 6.170 5.081 1.00 8.36 H new ATOM 0 HE22 GLN A 97 33.440 6.391 6.608 1.00 8.36 H new ATOM 1411 N ALA A 98 34.663 1.131 2.084 1.00 4.57 N ATOM 1412 CA ALA A 98 35.487 1.248 0.901 1.00 4.55 C ATOM 1413 C ALA A 98 34.697 0.853 -0.337 1.00 4.70 C ATOM 1414 O ALA A 98 34.584 1.629 -1.277 1.00 5.41 O ATOM 1415 CB ALA A 98 36.732 0.391 1.048 1.00 4.17 C ATOM 0 H ALA A 98 35.017 0.477 2.782 1.00 4.57 H new ATOM 0 HA ALA A 98 35.796 2.287 0.785 1.00 4.55 H new ATOM 0 HB1 ALA A 98 37.346 0.485 0.153 1.00 4.17 H new ATOM 0 HB2 ALA A 98 37.302 0.723 1.916 1.00 4.17 H new ATOM 0 HB3 ALA A 98 36.443 -0.651 1.181 1.00 4.17 H new ATOM 1421 N LEU A 99 34.103 -0.339 -0.305 1.00 4.31 N ATOM 1422 CA LEU A 99 33.322 -0.833 -1.430 1.00 4.67 C ATOM 1423 C LEU A 99 32.129 0.071 -1.723 1.00 5.10 C ATOM 1424 O LEU A 99 31.743 0.229 -2.870 1.00 5.77 O ATOM 1425 CB LEU A 99 32.829 -2.248 -1.162 1.00 4.44 C ATOM 1426 CG LEU A 99 33.914 -3.308 -1.025 1.00 4.61 C ATOM 1427 CD1 LEU A 99 33.326 -4.596 -0.495 1.00 4.82 C ATOM 1428 CD2 LEU A 99 34.579 -3.551 -2.361 1.00 5.40 C ATOM 0 H LEU A 99 34.150 -0.978 0.489 1.00 4.31 H new ATOM 0 HA LEU A 99 33.978 -0.836 -2.301 1.00 4.67 H new ATOM 0 HB2 LEU A 99 32.236 -2.240 -0.247 1.00 4.44 H new ATOM 0 HB3 LEU A 99 32.161 -2.540 -1.972 1.00 4.44 H new ATOM 0 HG LEU A 99 34.663 -2.949 -0.319 1.00 4.61 H new ATOM 0 HD11 LEU A 99 34.113 -5.344 -0.402 1.00 4.82 H new ATOM 0 HD12 LEU A 99 32.879 -4.417 0.483 1.00 4.82 H new ATOM 0 HD13 LEU A 99 32.561 -4.957 -1.183 1.00 4.82 H new ATOM 0 HD21 LEU A 99 35.353 -4.311 -2.250 1.00 5.40 H new ATOM 0 HD22 LEU A 99 33.835 -3.893 -3.081 1.00 5.40 H new ATOM 0 HD23 LEU A 99 35.029 -2.624 -2.717 1.00 5.40 H new ATOM 1440 N ARG A 100 31.536 0.648 -0.687 1.00 5.01 N ATOM 1441 CA ARG A 100 30.434 1.594 -0.871 1.00 5.73 C ATOM 1442 C ARG A 100 30.861 2.733 -1.783 1.00 6.63 C ATOM 1443 O ARG A 100 30.152 3.111 -2.718 1.00 7.33 O ATOM 1444 CB ARG A 100 29.992 2.162 0.476 1.00 5.96 C ATOM 1445 CG ARG A 100 29.192 1.187 1.320 1.00 5.58 C ATOM 1446 CD ARG A 100 28.977 1.721 2.724 1.00 6.19 C ATOM 1447 NE ARG A 100 28.021 0.913 3.474 1.00 6.32 N ATOM 1448 CZ ARG A 100 27.535 1.243 4.670 1.00 7.08 C ATOM 1449 NH1 ARG A 100 27.856 2.405 5.225 1.00 7.71 N ATOM 1450 NH2 ARG A 100 26.712 0.416 5.305 1.00 7.36 N ATOM 0 H ARG A 100 31.794 0.482 0.286 1.00 5.01 H new ATOM 0 HA ARG A 100 29.600 1.062 -1.328 1.00 5.73 H new ATOM 0 HB2 ARG A 100 30.874 2.473 1.035 1.00 5.96 H new ATOM 0 HB3 ARG A 100 29.392 3.056 0.304 1.00 5.96 H new ATOM 0 HG2 ARG A 100 28.227 1.000 0.848 1.00 5.58 H new ATOM 0 HG3 ARG A 100 29.714 0.231 1.368 1.00 5.58 H new ATOM 0 HD2 ARG A 100 29.929 1.742 3.254 1.00 6.19 H new ATOM 0 HD3 ARG A 100 28.620 2.749 2.670 1.00 6.19 H new ATOM 0 HE ARG A 100 27.704 0.039 3.055 1.00 6.32 H new ATOM 0 HH11 ARG A 100 28.477 3.050 4.736 1.00 7.71 H new ATOM 0 HH12 ARG A 100 27.482 2.654 6.141 1.00 7.71 H new ATOM 0 HH21 ARG A 100 26.452 -0.473 4.877 1.00 7.36 H new ATOM 0 HH22 ARG A 100 26.341 0.669 6.220 1.00 7.36 H new ATOM 1464 N ALA A 101 32.037 3.260 -1.502 1.00 6.70 N ATOM 1465 CA ALA A 101 32.605 4.350 -2.274 1.00 7.62 C ATOM 1466 C ALA A 101 33.046 3.872 -3.657 1.00 7.91 C ATOM 1467 O ALA A 101 32.832 4.552 -4.659 1.00 8.88 O ATOM 1468 CB ALA A 101 33.777 4.930 -1.510 1.00 7.61 C ATOM 0 H ALA A 101 32.627 2.945 -0.732 1.00 6.70 H new ATOM 0 HA ALA A 101 31.847 5.119 -2.422 1.00 7.62 H new ATOM 0 HB1 ALA A 101 34.213 5.750 -2.080 1.00 7.61 H new ATOM 0 HB2 ALA A 101 33.434 5.301 -0.544 1.00 7.61 H new ATOM 0 HB3 ALA A 101 34.529 4.156 -1.355 1.00 7.61 H new ATOM 1474 N THR A 102 33.651 2.694 -3.705 1.00 7.24 N ATOM 1475 CA THR A 102 34.215 2.158 -4.934 1.00 7.76 C ATOM 1476 C THR A 102 33.184 1.436 -5.798 1.00 8.12 C ATOM 1477 O THR A 102 33.511 0.938 -6.876 1.00 8.79 O ATOM 1478 CB THR A 102 35.361 1.205 -4.593 1.00 7.19 C ATOM 1479 OG1 THR A 102 34.859 0.011 -3.976 1.00 6.44 O ATOM 1480 CG2 THR A 102 36.301 1.908 -3.639 1.00 6.79 C ATOM 0 H THR A 102 33.764 2.085 -2.895 1.00 7.24 H new ATOM 0 HA THR A 102 34.579 3.004 -5.517 1.00 7.76 H new ATOM 0 HB THR A 102 35.883 0.926 -5.508 1.00 7.19 H new ATOM 0 HG1 THR A 102 35.427 -0.748 -4.223 1.00 6.44 H new ATOM 0 HG21 THR A 102 37.126 1.242 -3.384 1.00 6.79 H new ATOM 0 HG22 THR A 102 36.694 2.808 -4.112 1.00 6.79 H new ATOM 0 HG23 THR A 102 35.762 2.181 -2.732 1.00 6.79 H new ATOM 1488 N ASN A 103 31.940 1.401 -5.320 1.00 7.78 N ATOM 1489 CA ASN A 103 30.859 0.666 -5.969 1.00 8.03 C ATOM 1490 C ASN A 103 31.190 -0.823 -6.034 1.00 7.69 C ATOM 1491 O ASN A 103 31.322 -1.388 -7.113 1.00 8.43 O ATOM 1492 CB ASN A 103 30.575 1.215 -7.368 1.00 9.26 C ATOM 1493 CG ASN A 103 30.023 2.630 -7.349 1.00 9.66 C ATOM 1494 OD1 ASN A 103 30.276 3.418 -8.258 1.00 10.09 O ATOM 1495 ND2 ASN A 103 29.249 2.956 -6.325 1.00 9.74 N ATOM 0 H ASN A 103 31.655 1.884 -4.468 1.00 7.78 H new ATOM 0 HA ASN A 103 29.958 0.798 -5.370 1.00 8.03 H new ATOM 0 HB2 ASN A 103 31.495 1.197 -7.953 1.00 9.26 H new ATOM 0 HB3 ASN A 103 29.864 0.560 -7.872 1.00 9.26 H new ATOM 0 HD21 ASN A 103 28.840 3.889 -6.272 1.00 9.74 H new ATOM 0 HD22 ASN A 103 29.062 2.274 -5.590 1.00 9.74 H new ATOM 1502 N ASN A 104 31.341 -1.426 -4.852 1.00 6.74 N ATOM 1503 CA ASN A 104 31.658 -2.854 -4.676 1.00 6.57 C ATOM 1504 C ASN A 104 32.876 -3.284 -5.494 1.00 7.31 C ATOM 1505 O ASN A 104 33.041 -4.460 -5.817 1.00 7.80 O ATOM 1506 CB ASN A 104 30.444 -3.772 -4.956 1.00 6.81 C ATOM 1507 CG ASN A 104 30.050 -3.901 -6.421 1.00 7.28 C ATOM 1508 OD1 ASN A 104 30.595 -4.727 -7.157 1.00 7.71 O ATOM 1509 ND2 ASN A 104 29.061 -3.129 -6.841 1.00 7.45 N ATOM 0 H ASN A 104 31.245 -0.927 -3.967 1.00 6.74 H new ATOM 0 HA ASN A 104 31.914 -2.973 -3.623 1.00 6.57 H new ATOM 0 HB2 ASN A 104 30.664 -4.766 -4.567 1.00 6.81 H new ATOM 0 HB3 ASN A 104 29.587 -3.394 -4.398 1.00 6.81 H new ATOM 0 HD21 ASN A 104 28.726 -3.206 -7.801 1.00 7.45 H new ATOM 0 HD22 ASN A 104 28.633 -2.456 -6.204 1.00 7.45 H new ATOM 1516 N ASN A 105 33.752 -2.335 -5.790 1.00 7.54 N ATOM 1517 CA ASN A 105 34.991 -2.641 -6.486 1.00 8.24 C ATOM 1518 C ASN A 105 36.041 -3.051 -5.467 1.00 7.62 C ATOM 1519 O ASN A 105 36.515 -2.231 -4.684 1.00 6.99 O ATOM 1520 CB ASN A 105 35.490 -1.429 -7.274 1.00 8.91 C ATOM 1521 CG ASN A 105 36.544 -1.811 -8.296 1.00 9.80 C ATOM 1522 OD1 ASN A 105 37.726 -1.933 -7.973 1.00 10.00 O ATOM 1523 ND2 ASN A 105 36.126 -1.977 -9.540 1.00 10.49 N ATOM 0 H ASN A 105 33.627 -1.349 -5.559 1.00 7.54 H new ATOM 0 HA ASN A 105 34.808 -3.454 -7.189 1.00 8.24 H new ATOM 0 HB2 ASN A 105 34.649 -0.954 -7.780 1.00 8.91 H new ATOM 0 HB3 ASN A 105 35.903 -0.693 -6.584 1.00 8.91 H new ATOM 0 HD21 ASN A 105 36.792 -2.215 -10.274 1.00 10.49 H new ATOM 0 HD22 ASN A 105 35.137 -1.867 -9.765 1.00 10.49 H new ATOM 1530 N LEU A 106 36.375 -4.338 -5.488 1.00 7.99 N ATOM 1531 CA LEU A 106 37.312 -4.940 -4.537 1.00 7.70 C ATOM 1532 C LEU A 106 38.642 -4.204 -4.526 1.00 7.69 C ATOM 1533 O LEU A 106 39.093 -3.709 -3.496 1.00 6.94 O ATOM 1534 CB LEU A 106 37.536 -6.408 -4.924 1.00 8.64 C ATOM 1535 CG LEU A 106 38.547 -7.197 -4.079 1.00 8.79 C ATOM 1536 CD1 LEU A 106 38.132 -8.654 -4.002 1.00 9.54 C ATOM 1537 CD2 LEU A 106 39.945 -7.102 -4.665 1.00 9.40 C ATOM 0 H LEU A 106 36.002 -4.999 -6.169 1.00 7.99 H new ATOM 0 HA LEU A 106 36.886 -4.871 -3.536 1.00 7.70 H new ATOM 0 HB2 LEU A 106 36.577 -6.923 -4.875 1.00 8.64 H new ATOM 0 HB3 LEU A 106 37.863 -6.440 -5.963 1.00 8.64 H new ATOM 0 HG LEU A 106 38.560 -6.763 -3.079 1.00 8.79 H new ATOM 0 HD11 LEU A 106 38.854 -9.207 -3.401 1.00 9.54 H new ATOM 0 HD12 LEU A 106 37.146 -8.728 -3.543 1.00 9.54 H new ATOM 0 HD13 LEU A 106 38.097 -9.076 -5.006 1.00 9.54 H new ATOM 0 HD21 LEU A 106 40.639 -7.670 -4.045 1.00 9.40 H new ATOM 0 HD22 LEU A 106 39.944 -7.509 -5.676 1.00 9.40 H new ATOM 0 HD23 LEU A 106 40.257 -6.058 -4.695 1.00 9.40 H new ATOM 1549 N GLU A 107 39.267 -4.183 -5.684 1.00 8.63 N ATOM 1550 CA GLU A 107 40.560 -3.537 -5.870 1.00 8.84 C ATOM 1551 C GLU A 107 40.529 -2.078 -5.436 1.00 8.19 C ATOM 1552 O GLU A 107 41.402 -1.626 -4.696 1.00 7.74 O ATOM 1553 CB GLU A 107 40.963 -3.631 -7.335 1.00 10.06 C ATOM 1554 CG GLU A 107 41.054 -5.058 -7.841 1.00 10.88 C ATOM 1555 CD GLU A 107 42.402 -5.691 -7.581 1.00 11.25 C ATOM 1556 OE1 GLU A 107 43.342 -5.442 -8.360 1.00 11.82 O ATOM 1557 OE2 GLU A 107 42.532 -6.435 -6.585 1.00 11.09 O ATOM 0 H GLU A 107 38.895 -4.614 -6.530 1.00 8.63 H new ATOM 0 HA GLU A 107 41.290 -4.052 -5.246 1.00 8.84 H new ATOM 0 HB2 GLU A 107 40.240 -3.084 -7.940 1.00 10.06 H new ATOM 0 HB3 GLU A 107 41.928 -3.142 -7.472 1.00 10.06 H new ATOM 0 HG2 GLU A 107 40.279 -5.657 -7.363 1.00 10.88 H new ATOM 0 HG3 GLU A 107 40.853 -5.072 -8.912 1.00 10.88 H new ATOM 1564 N ARG A 108 39.520 -1.349 -5.891 1.00 8.29 N ATOM 1565 CA ARG A 108 39.390 0.059 -5.565 1.00 8.02 C ATOM 1566 C ARG A 108 39.082 0.248 -4.089 1.00 6.88 C ATOM 1567 O ARG A 108 39.406 1.279 -3.512 1.00 6.69 O ATOM 1568 CB ARG A 108 38.282 0.683 -6.393 1.00 8.62 C ATOM 1569 CG ARG A 108 38.335 2.190 -6.477 1.00 8.99 C ATOM 1570 CD ARG A 108 37.174 2.681 -7.303 1.00 9.70 C ATOM 1571 NE ARG A 108 37.309 2.296 -8.709 1.00 10.72 N ATOM 1572 CZ ARG A 108 36.291 1.965 -9.504 1.00 11.45 C ATOM 1573 NH1 ARG A 108 35.050 1.920 -9.027 1.00 11.31 N ATOM 1574 NH2 ARG A 108 36.512 1.664 -10.778 1.00 12.41 N ATOM 0 H ARG A 108 38.778 -1.713 -6.489 1.00 8.29 H new ATOM 0 HA ARG A 108 40.338 0.548 -5.791 1.00 8.02 H new ATOM 0 HB2 ARG A 108 38.326 0.274 -7.402 1.00 8.62 H new ATOM 0 HB3 ARG A 108 37.321 0.389 -5.971 1.00 8.62 H new ATOM 0 HG2 ARG A 108 38.295 2.624 -5.478 1.00 8.99 H new ATOM 0 HG3 ARG A 108 39.276 2.508 -6.925 1.00 8.99 H new ATOM 0 HD2 ARG A 108 36.245 2.276 -6.902 1.00 9.70 H new ATOM 0 HD3 ARG A 108 37.107 3.766 -7.228 1.00 9.70 H new ATOM 0 HE ARG A 108 38.247 2.280 -9.108 1.00 10.72 H new ATOM 0 HH11 ARG A 108 34.872 2.140 -8.047 1.00 11.31 H new ATOM 0 HH12 ARG A 108 34.276 1.666 -9.641 1.00 11.31 H new ATOM 0 HH21 ARG A 108 37.462 1.686 -11.150 1.00 12.41 H new ATOM 0 HH22 ARG A 108 35.732 1.411 -11.385 1.00 12.41 H new ATOM 1588 N ALA A 109 38.422 -0.732 -3.481 1.00 6.30 N ATOM 1589 CA ALA A 109 38.132 -0.674 -2.062 1.00 5.34 C ATOM 1590 C ALA A 109 39.433 -0.647 -1.284 1.00 5.09 C ATOM 1591 O ALA A 109 39.643 0.204 -0.432 1.00 4.76 O ATOM 1592 CB ALA A 109 37.298 -1.866 -1.628 1.00 5.03 C ATOM 0 H ALA A 109 38.081 -1.571 -3.951 1.00 6.30 H new ATOM 0 HA ALA A 109 37.561 0.232 -1.860 1.00 5.34 H new ATOM 0 HB1 ALA A 109 37.095 -1.798 -0.559 1.00 5.03 H new ATOM 0 HB2 ALA A 109 36.356 -1.870 -2.177 1.00 5.03 H new ATOM 0 HB3 ALA A 109 37.843 -2.787 -1.836 1.00 5.03 H new ATOM 1598 N LEU A 110 40.309 -1.589 -1.612 1.00 5.51 N ATOM 1599 CA LEU A 110 41.639 -1.654 -1.024 1.00 5.52 C ATOM 1600 C LEU A 110 42.403 -0.374 -1.341 1.00 5.67 C ATOM 1601 O LEU A 110 43.135 0.156 -0.512 1.00 5.40 O ATOM 1602 CB LEU A 110 42.377 -2.860 -1.595 1.00 6.35 C ATOM 1603 CG LEU A 110 41.643 -4.188 -1.443 1.00 6.65 C ATOM 1604 CD1 LEU A 110 42.195 -5.214 -2.418 1.00 7.78 C ATOM 1605 CD2 LEU A 110 41.757 -4.686 -0.015 1.00 6.44 C ATOM 0 H LEU A 110 40.117 -2.326 -2.290 1.00 5.51 H new ATOM 0 HA LEU A 110 41.560 -1.757 0.058 1.00 5.52 H new ATOM 0 HB2 LEU A 110 42.567 -2.685 -2.654 1.00 6.35 H new ATOM 0 HB3 LEU A 110 43.348 -2.939 -1.106 1.00 6.35 H new ATOM 0 HG LEU A 110 40.588 -4.036 -1.672 1.00 6.65 H new ATOM 0 HD11 LEU A 110 41.660 -6.156 -2.296 1.00 7.78 H new ATOM 0 HD12 LEU A 110 42.066 -4.853 -3.438 1.00 7.78 H new ATOM 0 HD13 LEU A 110 43.255 -5.371 -2.220 1.00 7.78 H new ATOM 0 HD21 LEU A 110 41.229 -5.635 0.083 1.00 6.44 H new ATOM 0 HD22 LEU A 110 42.808 -4.827 0.238 1.00 6.44 H new ATOM 0 HD23 LEU A 110 41.316 -3.954 0.662 1.00 6.44 H new ATOM 1617 N ASP A 111 42.211 0.100 -2.564 1.00 6.32 N ATOM 1618 CA ASP A 111 42.754 1.383 -3.022 1.00 6.81 C ATOM 1619 C ASP A 111 42.316 2.503 -2.084 1.00 6.41 C ATOM 1620 O ASP A 111 43.123 3.311 -1.617 1.00 6.49 O ATOM 1621 CB ASP A 111 42.226 1.689 -4.426 1.00 7.75 C ATOM 1622 CG ASP A 111 43.136 2.602 -5.220 1.00 8.59 C ATOM 1623 OD1 ASP A 111 42.960 3.836 -5.151 1.00 8.94 O ATOM 1624 OD2 ASP A 111 44.022 2.088 -5.936 1.00 9.04 O ATOM 0 H ASP A 111 41.672 -0.394 -3.275 1.00 6.32 H new ATOM 0 HA ASP A 111 43.842 1.319 -3.033 1.00 6.81 H new ATOM 0 HB2 ASP A 111 42.096 0.753 -4.970 1.00 7.75 H new ATOM 0 HB3 ASP A 111 41.241 2.150 -4.344 1.00 7.75 H new ATOM 1629 N TRP A 112 41.014 2.526 -1.829 1.00 6.15 N ATOM 1630 CA TRP A 112 40.385 3.500 -0.949 1.00 6.12 C ATOM 1631 C TRP A 112 40.909 3.351 0.471 1.00 5.57 C ATOM 1632 O TRP A 112 41.328 4.320 1.107 1.00 5.97 O ATOM 1633 CB TRP A 112 38.869 3.294 -0.972 1.00 6.03 C ATOM 1634 CG TRP A 112 38.102 4.387 -0.290 1.00 6.48 C ATOM 1635 CD1 TRP A 112 37.624 5.521 -0.869 1.00 6.79 C ATOM 1636 CD2 TRP A 112 37.726 4.453 1.093 1.00 7.05 C ATOM 1637 NE1 TRP A 112 36.970 6.287 0.060 1.00 7.45 N ATOM 1638 CE2 TRP A 112 37.020 5.655 1.273 1.00 7.60 C ATOM 1639 CE3 TRP A 112 37.916 3.614 2.196 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 36.504 6.038 2.509 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 37.405 3.995 3.421 1.00 8.25 C ATOM 1642 CH2 TRP A 112 36.706 5.198 3.570 1.00 8.69 C ATOM 0 H TRP A 112 40.357 1.859 -2.234 1.00 6.15 H new ATOM 0 HA TRP A 112 40.624 4.504 -1.299 1.00 6.12 H new ATOM 0 HB2 TRP A 112 38.537 3.221 -2.008 1.00 6.03 H new ATOM 0 HB3 TRP A 112 38.633 2.343 -0.494 1.00 6.03 H new ATOM 0 HD1 TRP A 112 37.743 5.780 -1.911 1.00 6.79 H new ATOM 0 HE1 TRP A 112 36.519 7.183 -0.123 1.00 7.45 H new ATOM 0 HE3 TRP A 112 38.454 2.683 2.091 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 35.963 6.966 2.626 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 37.547 3.354 4.278 1.00 8.25 H new ATOM 0 HH2 TRP A 112 36.319 5.469 4.541 1.00 8.69 H new ATOM 1653 N ILE A 113 40.888 2.118 0.946 1.00 4.92 N ATOM 1654 CA ILE A 113 41.319 1.790 2.288 1.00 4.71 C ATOM 1655 C ILE A 113 42.798 2.122 2.496 1.00 4.95 C ATOM 1656 O ILE A 113 43.208 2.496 3.586 1.00 5.25 O ATOM 1657 CB ILE A 113 41.057 0.304 2.601 1.00 4.41 C ATOM 1658 CG1 ILE A 113 39.552 0.020 2.553 1.00 4.22 C ATOM 1659 CG2 ILE A 113 41.623 -0.058 3.964 1.00 4.75 C ATOM 1660 CD1 ILE A 113 39.182 -1.387 2.942 1.00 4.30 C ATOM 0 H ILE A 113 40.569 1.314 0.406 1.00 4.92 H new ATOM 0 HA ILE A 113 40.735 2.400 2.977 1.00 4.71 H new ATOM 0 HB ILE A 113 41.555 -0.309 1.850 1.00 4.41 H new ATOM 0 HG12 ILE A 113 39.040 0.716 3.217 1.00 4.22 H new ATOM 0 HG13 ILE A 113 39.188 0.215 1.544 1.00 4.22 H new ATOM 0 HG21 ILE A 113 41.430 -1.111 4.170 1.00 4.75 H new ATOM 0 HG22 ILE A 113 42.698 0.122 3.971 1.00 4.75 H new ATOM 0 HG23 ILE A 113 41.148 0.555 4.730 1.00 4.75 H new ATOM 0 HD11 ILE A 113 38.100 -1.508 2.883 1.00 4.30 H new ATOM 0 HD12 ILE A 113 39.664 -2.091 2.263 1.00 4.30 H new ATOM 0 HD13 ILE A 113 39.514 -1.582 3.962 1.00 4.30 H new ATOM 1672 N PHE A 114 43.590 1.998 1.442 1.00 5.07 N ATOM 1673 CA PHE A 114 45.015 2.310 1.505 1.00 5.37 C ATOM 1674 C PHE A 114 45.238 3.778 1.850 1.00 5.85 C ATOM 1675 O PHE A 114 46.232 4.141 2.478 1.00 6.10 O ATOM 1676 CB PHE A 114 45.680 1.975 0.167 1.00 5.75 C ATOM 1677 CG PHE A 114 47.177 2.144 0.162 1.00 6.09 C ATOM 1678 CD1 PHE A 114 47.994 1.185 0.738 1.00 6.17 C ATOM 1679 CD2 PHE A 114 47.765 3.260 -0.418 1.00 6.53 C ATOM 1680 CE1 PHE A 114 49.368 1.334 0.739 1.00 6.62 C ATOM 1681 CE2 PHE A 114 49.140 3.414 -0.420 1.00 6.91 C ATOM 1682 CZ PHE A 114 49.941 2.451 0.160 1.00 6.92 C ATOM 0 H PHE A 114 43.270 1.682 0.526 1.00 5.07 H new ATOM 0 HA PHE A 114 45.466 1.705 2.292 1.00 5.37 H new ATOM 0 HB2 PHE A 114 45.441 0.945 -0.097 1.00 5.75 H new ATOM 0 HB3 PHE A 114 45.251 2.610 -0.608 1.00 5.75 H new ATOM 0 HD1 PHE A 114 47.552 0.310 1.192 1.00 6.17 H new ATOM 0 HD2 PHE A 114 47.142 4.016 -0.873 1.00 6.53 H new ATOM 0 HE1 PHE A 114 49.993 0.579 1.192 1.00 6.62 H new ATOM 0 HE2 PHE A 114 49.586 4.286 -0.875 1.00 6.91 H new ATOM 0 HZ PHE A 114 51.014 2.570 0.161 1.00 6.92 H new