USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.0546 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.25) USER MOD Single : A 6 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.3) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 87:sc= 0.942 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -16:sc= 0.435 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.219 K(o=0.22,f=-0.98) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.7! C(o=-7.7!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.037 25.982 -21.388 1.00 1.00 N ATOM 2 CA MET A 1 32.864 27.354 -21.950 1.00 1.00 C ATOM 3 C MET A 1 33.205 28.379 -20.878 1.00 1.00 C ATOM 4 O MET A 1 33.063 28.123 -19.682 1.00 1.00 O ATOM 5 CB MET A 1 31.417 27.540 -22.418 1.00 1.00 C ATOM 6 CG MET A 1 31.280 28.878 -23.153 1.00 1.00 C ATOM 7 SD MET A 1 29.559 29.106 -23.672 1.00 1.00 S ATOM 8 CE MET A 1 29.726 28.509 -25.375 1.00 1.00 C ATOM 0 H1 MET A 1 33.943 25.586 -21.710 1.00 1.00 H new ATOM 0 H2 MET A 1 33.030 26.029 -20.349 1.00 1.00 H new ATOM 0 H3 MET A 1 32.259 25.373 -21.712 1.00 1.00 H new ATOM 0 HA MET A 1 33.529 27.491 -22.803 1.00 1.00 H new ATOM 0 HB2 MET A 1 31.130 26.721 -23.077 1.00 1.00 H new ATOM 0 HB3 MET A 1 30.742 27.513 -21.563 1.00 1.00 H new ATOM 0 HG2 MET A 1 31.586 29.696 -22.502 1.00 1.00 H new ATOM 0 HG3 MET A 1 31.939 28.898 -24.021 1.00 1.00 H new ATOM 0 HE1 MET A 1 28.760 28.568 -25.877 1.00 1.00 H new ATOM 0 HE2 MET A 1 30.450 29.126 -25.907 1.00 1.00 H new ATOM 0 HE3 MET A 1 30.068 27.474 -25.366 1.00 1.00 H new ATOM 20 N ALA A 2 33.663 29.540 -21.321 1.00 1.00 N ATOM 21 CA ALA A 2 34.028 30.604 -20.399 1.00 1.00 C ATOM 22 C ALA A 2 32.787 31.174 -19.725 1.00 1.00 C ATOM 23 O ALA A 2 31.727 31.275 -20.343 1.00 1.00 O ATOM 24 CB ALA A 2 34.757 31.716 -21.155 1.00 1.00 C ATOM 0 H ALA A 2 33.790 29.768 -22.307 1.00 1.00 H new ATOM 0 HA ALA A 2 34.686 30.191 -19.634 1.00 1.00 H new ATOM 0 HB1 ALA A 2 35.028 32.511 -20.460 1.00 1.00 H new ATOM 0 HB2 ALA A 2 35.659 31.312 -21.615 1.00 1.00 H new ATOM 0 HB3 ALA A 2 34.104 32.118 -21.929 1.00 1.00 H new ATOM 30 N GLU A 3 32.929 31.547 -18.456 1.00 1.00 N ATOM 31 CA GLU A 3 31.814 32.116 -17.691 1.00 1.00 C ATOM 32 C GLU A 3 30.636 31.147 -17.620 1.00 1.00 C ATOM 33 O GLU A 3 29.480 31.567 -17.547 1.00 1.00 O ATOM 34 CB GLU A 3 31.360 33.440 -18.326 1.00 1.00 C ATOM 35 CG GLU A 3 32.485 34.469 -18.220 1.00 1.00 C ATOM 36 CD GLU A 3 32.773 34.789 -16.755 1.00 1.00 C ATOM 37 OE1 GLU A 3 31.906 34.538 -15.932 1.00 1.00 O ATOM 38 OE2 GLU A 3 33.854 35.280 -16.480 1.00 1.00 O ATOM 0 H GLU A 3 33.801 31.467 -17.933 1.00 1.00 H new ATOM 0 HA GLU A 3 32.165 32.300 -16.676 1.00 1.00 H new ATOM 0 HB2 GLU A 3 31.095 33.282 -19.371 1.00 1.00 H new ATOM 0 HB3 GLU A 3 30.466 33.809 -17.823 1.00 1.00 H new ATOM 0 HG2 GLU A 3 33.385 34.084 -18.699 1.00 1.00 H new ATOM 0 HG3 GLU A 3 32.206 35.379 -18.750 1.00 1.00 H new ATOM 45 N ALA A 4 30.939 29.852 -17.636 1.00 1.00 N ATOM 46 CA ALA A 4 29.904 28.820 -17.570 1.00 1.00 C ATOM 47 C ALA A 4 29.230 28.792 -16.199 1.00 1.00 C ATOM 48 O ALA A 4 29.870 29.023 -15.172 1.00 1.00 O ATOM 49 CB ALA A 4 30.517 27.450 -17.865 1.00 1.00 C ATOM 0 H ALA A 4 31.891 29.491 -17.694 1.00 1.00 H new ATOM 0 HA ALA A 4 29.147 29.057 -18.318 1.00 1.00 H new ATOM 0 HB1 ALA A 4 29.741 26.686 -17.814 1.00 1.00 H new ATOM 0 HB2 ALA A 4 30.957 27.455 -18.862 1.00 1.00 H new ATOM 0 HB3 ALA A 4 31.290 27.231 -17.129 1.00 1.00 H new ATOM 55 N HIS A 5 27.932 28.506 -16.204 1.00 1.00 N ATOM 56 CA HIS A 5 27.154 28.449 -14.970 1.00 1.00 C ATOM 57 C HIS A 5 26.762 27.004 -14.656 1.00 1.00 C ATOM 58 O HIS A 5 26.245 26.295 -15.519 1.00 1.00 O ATOM 59 CB HIS A 5 25.889 29.288 -15.142 1.00 1.00 C ATOM 60 CG HIS A 5 26.266 30.727 -15.366 1.00 1.00 C ATOM 61 ND1 HIS A 5 26.564 31.227 -16.624 1.00 1.00 N ATOM 62 CD2 HIS A 5 26.390 31.786 -14.503 1.00 1.00 C ATOM 63 CE1 HIS A 5 26.849 32.535 -16.486 1.00 1.00 C ATOM 64 NE2 HIS A 5 26.757 32.927 -15.213 1.00 1.00 N ATOM 0 H HIS A 5 27.396 28.310 -17.049 1.00 1.00 H new ATOM 0 HA HIS A 5 27.756 28.838 -14.149 1.00 1.00 H new ATOM 0 HB2 HIS A 5 25.307 28.918 -15.986 1.00 1.00 H new ATOM 0 HB3 HIS A 5 25.259 29.200 -14.257 1.00 1.00 H new ATOM 0 HD2 HIS A 5 26.228 31.742 -13.436 1.00 1.00 H new ATOM 0 HE1 HIS A 5 27.119 33.187 -17.304 1.00 1.00 H new ATOM 0 HE2 HIS A 5 26.921 33.862 -14.840 1.00 1.00 H new ATOM 72 N GLN A 6 27.009 26.576 -13.420 1.00 1.00 N ATOM 73 CA GLN A 6 26.675 25.215 -13.002 1.00 1.00 C ATOM 74 C GLN A 6 25.840 25.245 -11.724 1.00 1.00 C ATOM 75 O GLN A 6 26.116 26.030 -10.816 1.00 1.00 O ATOM 76 CB GLN A 6 27.962 24.419 -12.755 1.00 1.00 C ATOM 77 CG GLN A 6 28.770 24.316 -14.054 1.00 1.00 C ATOM 78 CD GLN A 6 27.974 23.550 -15.109 1.00 1.00 C ATOM 79 OE1 GLN A 6 27.490 22.452 -14.843 1.00 1.00 O ATOM 80 NE2 GLN A 6 27.809 24.065 -16.302 1.00 1.00 N ATOM 0 H GLN A 6 27.437 27.149 -12.693 1.00 1.00 H new ATOM 0 HA GLN A 6 26.097 24.736 -13.792 1.00 1.00 H new ATOM 0 HB2 GLN A 6 28.558 24.906 -11.983 1.00 1.00 H new ATOM 0 HB3 GLN A 6 27.718 23.422 -12.388 1.00 1.00 H new ATOM 0 HG2 GLN A 6 29.010 25.314 -14.422 1.00 1.00 H new ATOM 0 HG3 GLN A 6 29.717 23.810 -13.863 1.00 1.00 H new ATOM 0 HE21 GLN A 6 28.210 24.976 -16.524 1.00 1.00 H new ATOM 0 HE22 GLN A 6 27.279 23.555 -17.009 1.00 1.00 H new ATOM 89 N ALA A 7 24.820 24.392 -11.653 1.00 1.00 N ATOM 90 CA ALA A 7 23.965 24.346 -10.472 1.00 1.00 C ATOM 91 C ALA A 7 24.753 23.865 -9.259 1.00 1.00 C ATOM 92 O ALA A 7 25.593 22.971 -9.364 1.00 1.00 O ATOM 93 CB ALA A 7 22.784 23.406 -10.704 1.00 1.00 C ATOM 0 H ALA A 7 24.569 23.732 -12.389 1.00 1.00 H new ATOM 0 HA ALA A 7 23.595 25.354 -10.286 1.00 1.00 H new ATOM 0 HB1 ALA A 7 22.156 23.384 -9.813 1.00 1.00 H new ATOM 0 HB2 ALA A 7 22.198 23.761 -11.552 1.00 1.00 H new ATOM 0 HB3 ALA A 7 23.154 22.402 -10.913 1.00 1.00 H new ATOM 99 N VAL A 8 24.469 24.469 -8.113 1.00 1.00 N ATOM 100 CA VAL A 8 25.143 24.114 -6.870 1.00 1.00 C ATOM 101 C VAL A 8 24.118 23.869 -5.772 1.00 1.00 C ATOM 102 O VAL A 8 23.165 24.631 -5.615 1.00 1.00 O ATOM 103 CB VAL A 8 26.093 25.245 -6.464 1.00 1.00 C ATOM 104 CG1 VAL A 8 25.355 26.585 -6.546 1.00 1.00 C ATOM 105 CG2 VAL A 8 26.578 25.033 -5.027 1.00 1.00 C ATOM 0 H VAL A 8 23.774 25.210 -8.018 1.00 1.00 H new ATOM 0 HA VAL A 8 25.717 23.200 -7.019 1.00 1.00 H new ATOM 0 HB VAL A 8 26.949 25.247 -7.139 1.00 1.00 H new ATOM 0 HG11 VAL A 8 26.030 27.391 -6.257 1.00 1.00 H new ATOM 0 HG12 VAL A 8 25.011 26.749 -7.567 1.00 1.00 H new ATOM 0 HG13 VAL A 8 24.498 26.570 -5.872 1.00 1.00 H new ATOM 0 HG21 VAL A 8 27.253 25.842 -4.748 1.00 1.00 H new ATOM 0 HG22 VAL A 8 25.722 25.025 -4.352 1.00 1.00 H new ATOM 0 HG23 VAL A 8 27.105 24.081 -4.957 1.00 1.00 H new ATOM 115 N GLY A 9 24.320 22.796 -5.017 1.00 1.00 N ATOM 116 CA GLY A 9 23.409 22.452 -3.932 1.00 1.00 C ATOM 117 C GLY A 9 22.183 21.704 -4.451 1.00 1.00 C ATOM 118 O GLY A 9 21.204 21.529 -3.724 1.00 1.00 O ATOM 0 H GLY A 9 25.102 22.152 -5.135 1.00 1.00 H new ATOM 0 HA2 GLY A 9 23.930 21.836 -3.199 1.00 1.00 H new ATOM 0 HA3 GLY A 9 23.093 23.360 -3.418 1.00 1.00 H new ATOM 122 N PHE A 10 22.247 21.258 -5.707 1.00 1.00 N ATOM 123 CA PHE A 10 21.140 20.519 -6.318 1.00 1.00 C ATOM 124 C PHE A 10 21.608 19.140 -6.785 1.00 1.00 C ATOM 125 O PHE A 10 22.602 19.029 -7.501 1.00 1.00 O ATOM 126 CB PHE A 10 20.599 21.290 -7.523 1.00 1.00 C ATOM 127 CG PHE A 10 19.663 20.396 -8.295 1.00 1.00 C ATOM 128 CD1 PHE A 10 18.400 20.086 -7.777 1.00 1.00 C ATOM 129 CD2 PHE A 10 20.066 19.866 -9.526 1.00 1.00 C ATOM 130 CE1 PHE A 10 17.542 19.244 -8.491 1.00 1.00 C ATOM 131 CE2 PHE A 10 19.207 19.025 -10.240 1.00 1.00 C ATOM 132 CZ PHE A 10 17.944 18.713 -9.721 1.00 1.00 C ATOM 0 H PHE A 10 23.051 21.395 -6.320 1.00 1.00 H new ATOM 0 HA PHE A 10 20.356 20.401 -5.570 1.00 1.00 H new ATOM 0 HB2 PHE A 10 20.076 22.187 -7.192 1.00 1.00 H new ATOM 0 HB3 PHE A 10 21.420 21.617 -8.161 1.00 1.00 H new ATOM 0 HD1 PHE A 10 18.089 20.496 -6.828 1.00 1.00 H new ATOM 0 HD2 PHE A 10 21.041 20.107 -9.924 1.00 1.00 H new ATOM 0 HE1 PHE A 10 16.568 19.003 -8.092 1.00 1.00 H new ATOM 0 HE2 PHE A 10 19.517 18.616 -11.190 1.00 1.00 H new ATOM 0 HZ PHE A 10 17.280 18.062 -10.271 1.00 1.00 H new ATOM 142 N ARG A 11 20.885 18.092 -6.390 1.00 1.00 N ATOM 143 CA ARG A 11 21.249 16.737 -6.791 1.00 1.00 C ATOM 144 C ARG A 11 19.986 15.907 -7.058 1.00 1.00 C ATOM 145 O ARG A 11 18.957 16.121 -6.415 1.00 1.00 O ATOM 146 CB ARG A 11 22.086 16.076 -5.687 1.00 1.00 C ATOM 147 CG ARG A 11 23.384 16.867 -5.474 1.00 1.00 C ATOM 148 CD ARG A 11 24.426 15.976 -4.798 1.00 1.00 C ATOM 149 NE ARG A 11 25.346 15.457 -5.800 1.00 1.00 N ATOM 150 CZ ARG A 11 26.555 15.038 -5.469 1.00 1.00 C ATOM 151 NH1 ARG A 11 26.945 15.088 -4.227 1.00 1.00 N ATOM 152 NH2 ARG A 11 27.361 14.584 -6.384 1.00 1.00 N ATOM 0 H ARG A 11 20.055 18.155 -5.801 1.00 1.00 H new ATOM 0 HA ARG A 11 21.838 16.785 -7.707 1.00 1.00 H new ATOM 0 HB2 ARG A 11 21.516 16.039 -4.759 1.00 1.00 H new ATOM 0 HB3 ARG A 11 22.317 15.047 -5.961 1.00 1.00 H new ATOM 0 HG2 ARG A 11 23.764 17.225 -6.431 1.00 1.00 H new ATOM 0 HG3 ARG A 11 23.189 17.746 -4.859 1.00 1.00 H new ATOM 0 HD2 ARG A 11 24.973 16.545 -4.046 1.00 1.00 H new ATOM 0 HD3 ARG A 11 23.934 15.153 -4.279 1.00 1.00 H new ATOM 0 HE ARG A 11 25.052 15.416 -6.776 1.00 1.00 H new ATOM 0 HH11 ARG A 11 26.317 15.451 -3.510 1.00 1.00 H new ATOM 0 HH12 ARG A 11 27.878 14.764 -3.972 1.00 1.00 H new ATOM 0 HH21 ARG A 11 27.060 14.551 -7.358 1.00 1.00 H new ATOM 0 HH22 ARG A 11 28.294 14.261 -6.127 1.00 1.00 H new ATOM 166 N PRO A 12 20.030 14.970 -7.982 1.00 1.00 N ATOM 167 CA PRO A 12 18.845 14.121 -8.301 1.00 1.00 C ATOM 168 C PRO A 12 18.445 13.258 -7.117 1.00 1.00 C ATOM 169 O PRO A 12 19.296 12.807 -6.350 1.00 1.00 O ATOM 170 CB PRO A 12 19.299 13.260 -9.483 1.00 1.00 C ATOM 171 CG PRO A 12 20.787 13.256 -9.414 1.00 1.00 C ATOM 172 CD PRO A 12 21.191 14.601 -8.811 1.00 1.00 C ATOM 0 HA PRO A 12 17.965 14.719 -8.537 1.00 1.00 H new ATOM 0 HB2 PRO A 12 18.899 12.249 -9.410 1.00 1.00 H new ATOM 0 HB3 PRO A 12 18.950 13.674 -10.429 1.00 1.00 H new ATOM 0 HG2 PRO A 12 21.146 12.431 -8.799 1.00 1.00 H new ATOM 0 HG3 PRO A 12 21.222 13.128 -10.405 1.00 1.00 H new ATOM 0 HD2 PRO A 12 22.099 14.517 -8.214 1.00 1.00 H new ATOM 0 HD3 PRO A 12 21.385 15.345 -9.584 1.00 1.00 H new ATOM 180 N SER A 13 17.147 13.040 -6.969 1.00 1.00 N ATOM 181 CA SER A 13 16.640 12.235 -5.871 1.00 1.00 C ATOM 182 C SER A 13 17.016 10.774 -6.066 1.00 1.00 C ATOM 183 O SER A 13 16.992 9.985 -5.123 1.00 1.00 O ATOM 184 CB SER A 13 15.118 12.369 -5.787 1.00 1.00 C ATOM 185 OG SER A 13 14.541 11.941 -7.012 1.00 1.00 O ATOM 0 H SER A 13 16.429 13.408 -7.593 1.00 1.00 H new ATOM 0 HA SER A 13 17.086 12.592 -4.943 1.00 1.00 H new ATOM 0 HB2 SER A 13 14.734 11.770 -4.962 1.00 1.00 H new ATOM 0 HB3 SER A 13 14.843 13.404 -5.584 1.00 1.00 H new ATOM 0 HG SER A 13 13.566 12.024 -6.961 1.00 1.00 H new ATOM 191 N LEU A 14 17.357 10.412 -7.299 1.00 1.00 N ATOM 192 CA LEU A 14 17.720 9.035 -7.593 1.00 1.00 C ATOM 193 C LEU A 14 18.975 8.639 -6.812 1.00 1.00 C ATOM 194 O LEU A 14 19.039 7.552 -6.240 1.00 1.00 O ATOM 195 CB LEU A 14 17.956 8.870 -9.102 1.00 1.00 C ATOM 196 CG LEU A 14 18.339 7.426 -9.440 1.00 1.00 C ATOM 197 CD1 LEU A 14 17.241 6.465 -8.977 1.00 1.00 C ATOM 198 CD2 LEU A 14 18.511 7.303 -10.957 1.00 1.00 C ATOM 0 H LEU A 14 17.389 11.045 -8.099 1.00 1.00 H new ATOM 0 HA LEU A 14 16.904 8.380 -7.289 1.00 1.00 H new ATOM 0 HB2 LEU A 14 17.055 9.149 -9.648 1.00 1.00 H new ATOM 0 HB3 LEU A 14 18.747 9.546 -9.427 1.00 1.00 H new ATOM 0 HG LEU A 14 19.269 7.171 -8.932 1.00 1.00 H new ATOM 0 HD11 LEU A 14 17.525 5.442 -9.223 1.00 1.00 H new ATOM 0 HD12 LEU A 14 17.109 6.556 -7.899 1.00 1.00 H new ATOM 0 HD13 LEU A 14 16.306 6.712 -9.479 1.00 1.00 H new ATOM 0 HD21 LEU A 14 18.784 6.279 -11.210 1.00 1.00 H new ATOM 0 HD22 LEU A 14 17.575 7.562 -11.452 1.00 1.00 H new ATOM 0 HD23 LEU A 14 19.297 7.981 -11.290 1.00 1.00 H new ATOM 210 N THR A 15 19.959 9.539 -6.783 1.00 1.00 N ATOM 211 CA THR A 15 21.206 9.279 -6.061 1.00 1.00 C ATOM 212 C THR A 15 21.573 10.453 -5.170 1.00 1.00 C ATOM 213 O THR A 15 21.109 11.577 -5.373 1.00 1.00 O ATOM 214 CB THR A 15 22.351 9.029 -7.047 1.00 1.00 C ATOM 215 OG1 THR A 15 22.583 10.206 -7.808 1.00 1.00 O ATOM 216 CG2 THR A 15 21.989 7.876 -7.979 1.00 1.00 C ATOM 0 H THR A 15 19.918 10.447 -7.247 1.00 1.00 H new ATOM 0 HA THR A 15 21.051 8.395 -5.443 1.00 1.00 H new ATOM 0 HB THR A 15 23.254 8.769 -6.495 1.00 1.00 H new ATOM 0 HG1 THR A 15 23.317 10.049 -8.438 1.00 1.00 H new ATOM 0 HG21 THR A 15 22.807 7.703 -8.678 1.00 1.00 H new ATOM 0 HG22 THR A 15 21.816 6.974 -7.392 1.00 1.00 H new ATOM 0 HG23 THR A 15 21.085 8.127 -8.534 1.00 1.00 H new ATOM 224 N SER A 16 22.415 10.178 -4.183 1.00 1.00 N ATOM 225 CA SER A 16 22.861 11.202 -3.256 1.00 1.00 C ATOM 226 C SER A 16 24.174 10.788 -2.602 1.00 1.00 C ATOM 227 O SER A 16 24.544 9.611 -2.614 1.00 1.00 O ATOM 228 CB SER A 16 21.792 11.428 -2.190 1.00 1.00 C ATOM 229 OG SER A 16 21.468 10.182 -1.582 1.00 1.00 O ATOM 0 H SER A 16 22.802 9.251 -4.006 1.00 1.00 H new ATOM 0 HA SER A 16 23.025 12.130 -3.803 1.00 1.00 H new ATOM 0 HB2 SER A 16 22.153 12.130 -1.439 1.00 1.00 H new ATOM 0 HB3 SER A 16 20.902 11.870 -2.638 1.00 1.00 H new ATOM 0 HG SER A 16 20.783 10.321 -0.895 1.00 1.00 H new ATOM 235 N ASP A 17 24.875 11.761 -2.034 1.00 1.00 N ATOM 236 CA ASP A 17 26.149 11.500 -1.376 1.00 1.00 C ATOM 237 C ASP A 17 25.945 10.667 -0.114 1.00 1.00 C ATOM 238 O ASP A 17 25.001 10.895 0.642 1.00 1.00 O ATOM 239 CB ASP A 17 26.801 12.828 -0.984 1.00 1.00 C ATOM 240 CG ASP A 17 27.481 13.473 -2.189 1.00 1.00 C ATOM 241 OD1 ASP A 17 27.531 12.843 -3.233 1.00 1.00 O ATOM 242 OD2 ASP A 17 27.941 14.597 -2.050 1.00 1.00 O ATOM 0 H ASP A 17 24.583 12.738 -2.016 1.00 1.00 H new ATOM 0 HA ASP A 17 26.787 10.951 -2.069 1.00 1.00 H new ATOM 0 HB2 ASP A 17 26.047 13.504 -0.581 1.00 1.00 H new ATOM 0 HB3 ASP A 17 27.533 12.660 -0.194 1.00 1.00 H new ATOM 247 N GLY A 18 26.846 9.718 0.118 1.00 1.00 N ATOM 248 CA GLY A 18 26.764 8.873 1.306 1.00 1.00 C ATOM 249 C GLY A 18 28.103 8.846 2.034 1.00 1.00 C ATOM 250 O GLY A 18 29.160 8.803 1.404 1.00 1.00 O ATOM 0 H GLY A 18 27.636 9.515 -0.495 1.00 1.00 H new ATOM 0 HA2 GLY A 18 25.988 9.248 1.973 1.00 1.00 H new ATOM 0 HA3 GLY A 18 26.478 7.861 1.021 1.00 1.00 H new ATOM 254 N ALA A 19 28.054 8.873 3.360 1.00 1.00 N ATOM 255 CA ALA A 19 29.277 8.853 4.151 1.00 1.00 C ATOM 256 C ALA A 19 29.992 7.515 3.990 1.00 1.00 C ATOM 257 O ALA A 19 29.358 6.460 3.945 1.00 1.00 O ATOM 258 CB ALA A 19 28.947 9.095 5.626 1.00 1.00 C ATOM 0 H ALA A 19 27.192 8.908 3.904 1.00 1.00 H new ATOM 0 HA ALA A 19 29.936 9.646 3.797 1.00 1.00 H new ATOM 0 HB1 ALA A 19 29.866 9.079 6.212 1.00 1.00 H new ATOM 0 HB2 ALA A 19 28.464 10.066 5.736 1.00 1.00 H new ATOM 0 HB3 ALA A 19 28.276 8.313 5.982 1.00 1.00 H new ATOM 264 N GLU A 20 31.316 7.564 3.898 1.00 1.00 N ATOM 265 CA GLU A 20 32.102 6.348 3.741 1.00 1.00 C ATOM 266 C GLU A 20 33.356 6.410 4.599 1.00 1.00 C ATOM 267 O GLU A 20 34.133 5.460 4.652 1.00 1.00 O ATOM 268 CB GLU A 20 32.491 6.157 2.278 1.00 1.00 C ATOM 269 CG GLU A 20 31.237 5.867 1.445 1.00 1.00 C ATOM 270 CD GLU A 20 31.615 5.754 -0.023 1.00 1.00 C ATOM 271 OE1 GLU A 20 32.793 5.871 -0.317 1.00 1.00 O ATOM 272 OE2 GLU A 20 30.724 5.552 -0.831 1.00 1.00 O ATOM 0 H GLU A 20 31.863 8.424 3.929 1.00 1.00 H new ATOM 0 HA GLU A 20 31.494 5.503 4.064 1.00 1.00 H new ATOM 0 HB2 GLU A 20 32.989 7.052 1.904 1.00 1.00 H new ATOM 0 HB3 GLU A 20 33.200 5.335 2.184 1.00 1.00 H new ATOM 0 HG2 GLU A 20 30.770 4.942 1.783 1.00 1.00 H new ATOM 0 HG3 GLU A 20 30.505 6.663 1.582 1.00 1.00 H new ATOM 279 N VAL A 21 33.548 7.535 5.269 1.00 1.00 N ATOM 280 CA VAL A 21 34.708 7.706 6.128 1.00 1.00 C ATOM 281 C VAL A 21 34.651 6.754 7.321 1.00 1.00 C ATOM 282 O VAL A 21 35.669 6.202 7.741 1.00 1.00 O ATOM 283 CB VAL A 21 34.777 9.146 6.624 1.00 1.00 C ATOM 284 CG1 VAL A 21 34.889 10.085 5.425 1.00 1.00 C ATOM 285 CG2 VAL A 21 33.507 9.467 7.418 1.00 1.00 C ATOM 0 H VAL A 21 32.920 8.338 5.235 1.00 1.00 H new ATOM 0 HA VAL A 21 35.600 7.476 5.546 1.00 1.00 H new ATOM 0 HB VAL A 21 35.647 9.276 7.267 1.00 1.00 H new ATOM 0 HG11 VAL A 21 34.939 11.116 5.774 1.00 1.00 H new ATOM 0 HG12 VAL A 21 35.791 9.849 4.861 1.00 1.00 H new ATOM 0 HG13 VAL A 21 34.017 9.961 4.783 1.00 1.00 H new ATOM 0 HG21 VAL A 21 33.551 10.496 7.775 1.00 1.00 H new ATOM 0 HG22 VAL A 21 32.635 9.343 6.776 1.00 1.00 H new ATOM 0 HG23 VAL A 21 33.429 8.791 8.269 1.00 1.00 H new ATOM 295 N GLU A 22 33.459 6.578 7.878 1.00 1.00 N ATOM 296 CA GLU A 22 33.289 5.711 9.032 1.00 1.00 C ATOM 297 C GLU A 22 33.583 4.259 8.667 1.00 1.00 C ATOM 298 O GLU A 22 34.263 3.547 9.406 1.00 1.00 O ATOM 299 CB GLU A 22 31.854 5.835 9.540 1.00 1.00 C ATOM 300 CG GLU A 22 31.632 7.238 10.107 1.00 1.00 C ATOM 301 CD GLU A 22 30.169 7.412 10.491 1.00 1.00 C ATOM 302 OE1 GLU A 22 29.420 6.461 10.332 1.00 1.00 O ATOM 303 OE2 GLU A 22 29.815 8.494 10.929 1.00 1.00 O ATOM 0 H GLU A 22 32.602 7.022 7.550 1.00 1.00 H new ATOM 0 HA GLU A 22 33.989 6.015 9.810 1.00 1.00 H new ATOM 0 HB2 GLU A 22 31.152 5.644 8.728 1.00 1.00 H new ATOM 0 HB3 GLU A 22 31.663 5.086 10.309 1.00 1.00 H new ATOM 0 HG2 GLU A 22 32.267 7.393 10.979 1.00 1.00 H new ATOM 0 HG3 GLU A 22 31.916 7.988 9.369 1.00 1.00 H new ATOM 310 N LEU A 23 33.071 3.834 7.521 1.00 1.00 N ATOM 311 CA LEU A 23 33.284 2.470 7.059 1.00 1.00 C ATOM 312 C LEU A 23 34.070 2.473 5.750 1.00 1.00 C ATOM 313 O LEU A 23 33.669 3.127 4.788 1.00 1.00 O ATOM 314 CB LEU A 23 31.927 1.788 6.852 1.00 1.00 C ATOM 315 CG LEU A 23 31.131 1.790 8.165 1.00 1.00 C ATOM 316 CD1 LEU A 23 29.750 1.174 7.924 1.00 1.00 C ATOM 317 CD2 LEU A 23 31.864 0.968 9.230 1.00 1.00 C ATOM 0 H LEU A 23 32.508 4.411 6.896 1.00 1.00 H new ATOM 0 HA LEU A 23 33.857 1.922 7.807 1.00 1.00 H new ATOM 0 HB2 LEU A 23 31.365 2.307 6.076 1.00 1.00 H new ATOM 0 HB3 LEU A 23 32.074 0.764 6.508 1.00 1.00 H new ATOM 0 HG LEU A 23 31.027 2.818 8.512 1.00 1.00 H new ATOM 0 HD11 LEU A 23 29.184 1.175 8.855 1.00 1.00 H new ATOM 0 HD12 LEU A 23 29.217 1.759 7.175 1.00 1.00 H new ATOM 0 HD13 LEU A 23 29.865 0.149 7.570 1.00 1.00 H new ATOM 0 HD21 LEU A 23 31.289 0.977 10.156 1.00 1.00 H new ATOM 0 HD22 LEU A 23 31.977 -0.059 8.883 1.00 1.00 H new ATOM 0 HD23 LEU A 23 32.848 1.400 9.409 1.00 1.00 H new ATOM 329 N SER A 24 35.179 1.730 5.728 1.00 1.00 N ATOM 330 CA SER A 24 36.038 1.628 4.544 1.00 1.00 C ATOM 331 C SER A 24 37.474 1.354 4.972 1.00 1.00 C ATOM 332 O SER A 24 38.421 1.577 4.216 1.00 1.00 O ATOM 333 CB SER A 24 35.989 2.910 3.705 1.00 1.00 C ATOM 334 OG SER A 24 34.890 2.838 2.804 1.00 1.00 O ATOM 0 H SER A 24 35.506 1.185 6.525 1.00 1.00 H new ATOM 0 HA SER A 24 35.670 0.805 3.931 1.00 1.00 H new ATOM 0 HB2 SER A 24 35.886 3.780 4.354 1.00 1.00 H new ATOM 0 HB3 SER A 24 36.920 3.033 3.152 1.00 1.00 H new ATOM 0 HG SER A 24 34.083 3.176 3.245 1.00 1.00 H new ATOM 340 N ALA A 25 37.629 0.885 6.207 1.00 1.00 N ATOM 341 CA ALA A 25 38.953 0.612 6.745 1.00 1.00 C ATOM 342 C ALA A 25 39.812 -0.169 5.753 1.00 1.00 C ATOM 343 O ALA A 25 40.958 0.209 5.510 1.00 1.00 O ATOM 344 CB ALA A 25 38.837 -0.179 8.052 1.00 1.00 C ATOM 0 H ALA A 25 36.860 0.688 6.847 1.00 1.00 H new ATOM 0 HA ALA A 25 39.436 1.571 6.935 1.00 1.00 H new ATOM 0 HB1 ALA A 25 39.833 -0.378 8.446 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.268 0.401 8.779 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.327 -1.123 7.862 1.00 1.00 H new ATOM 350 N PRO A 26 39.315 -1.235 5.172 1.00 1.00 N ATOM 351 CA PRO A 26 40.115 -2.031 4.193 1.00 1.00 C ATOM 352 C PRO A 26 40.657 -1.162 3.058 1.00 1.00 C ATOM 353 O PRO A 26 41.812 -1.304 2.655 1.00 1.00 O ATOM 354 CB PRO A 26 39.115 -3.059 3.655 1.00 1.00 C ATOM 355 CG PRO A 26 38.071 -3.184 4.713 1.00 1.00 C ATOM 356 CD PRO A 26 37.969 -1.803 5.368 1.00 1.00 C ATOM 0 HA PRO A 26 40.993 -2.484 4.654 1.00 1.00 H new ATOM 0 HB2 PRO A 26 38.681 -2.729 2.711 1.00 1.00 H new ATOM 0 HB3 PRO A 26 39.599 -4.017 3.465 1.00 1.00 H new ATOM 0 HG2 PRO A 26 37.115 -3.485 4.285 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.345 -3.944 5.445 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.201 -1.190 4.897 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.713 -1.877 6.425 1.00 1.00 H new ATOM 364 N VAL A 27 39.825 -0.244 2.578 1.00 1.00 N ATOM 365 CA VAL A 27 40.224 0.672 1.516 1.00 1.00 C ATOM 366 C VAL A 27 41.302 1.630 2.016 1.00 1.00 C ATOM 367 O VAL A 27 42.249 1.938 1.297 1.00 1.00 O ATOM 368 CB VAL A 27 39.019 1.466 1.017 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.489 2.546 0.044 1.00 1.00 C ATOM 370 CG2 VAL A 27 38.056 0.522 0.299 1.00 1.00 C ATOM 0 H VAL A 27 38.869 -0.115 2.908 1.00 1.00 H new ATOM 0 HA VAL A 27 40.627 0.084 0.691 1.00 1.00 H new ATOM 0 HB VAL A 27 38.514 1.933 1.862 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.629 3.113 -0.313 1.00 1.00 H new ATOM 0 HG12 VAL A 27 40.181 3.217 0.552 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.992 2.079 -0.803 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.194 1.085 -0.059 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.564 0.059 -0.547 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.722 -0.252 0.990 1.00 1.00 H new ATOM 380 N LEU A 28 41.133 2.131 3.239 1.00 1.00 N ATOM 381 CA LEU A 28 42.103 3.077 3.798 1.00 1.00 C ATOM 382 C LEU A 28 43.474 2.428 3.977 1.00 1.00 C ATOM 383 O LEU A 28 44.503 3.047 3.700 1.00 1.00 O ATOM 384 CB LEU A 28 41.618 3.672 5.129 1.00 1.00 C ATOM 385 CG LEU A 28 40.699 4.882 4.877 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.386 4.435 4.224 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.399 5.568 6.213 1.00 1.00 C ATOM 0 H LEU A 28 40.350 1.905 3.853 1.00 1.00 H new ATOM 0 HA LEU A 28 42.198 3.892 3.080 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.082 2.913 5.699 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.474 3.977 5.731 1.00 1.00 H new ATOM 0 HG LEU A 28 41.202 5.576 4.204 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.750 5.304 4.054 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.600 3.950 3.272 1.00 1.00 H new ATOM 0 HD13 LEU A 28 38.873 3.733 4.882 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.749 6.426 6.043 1.00 1.00 H new ATOM 0 HD22 LEU A 28 39.903 4.863 6.881 1.00 1.00 H new ATOM 0 HD23 LEU A 28 41.331 5.904 6.667 1.00 1.00 H new ATOM 399 N GLN A 29 43.487 1.185 4.442 1.00 1.00 N ATOM 400 CA GLN A 29 44.742 0.475 4.660 1.00 1.00 C ATOM 401 C GLN A 29 45.491 0.273 3.341 1.00 1.00 C ATOM 402 O GLN A 29 46.712 0.416 3.290 1.00 1.00 O ATOM 403 CB GLN A 29 44.461 -0.884 5.295 1.00 1.00 C ATOM 404 CG GLN A 29 43.926 -0.677 6.714 1.00 1.00 C ATOM 405 CD GLN A 29 43.591 -2.025 7.341 1.00 1.00 C ATOM 406 OE1 GLN A 29 43.809 -3.066 6.724 1.00 1.00 O ATOM 407 NE2 GLN A 29 43.078 -2.074 8.538 1.00 1.00 N ATOM 0 H GLN A 29 42.650 0.651 4.674 1.00 1.00 H new ATOM 0 HA GLN A 29 45.363 1.074 5.326 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.735 -1.435 4.697 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.372 -1.482 5.321 1.00 1.00 H new ATOM 0 HG2 GLN A 29 44.668 -0.158 7.320 1.00 1.00 H new ATOM 0 HG3 GLN A 29 43.037 -0.046 6.689 1.00 1.00 H new ATOM 0 HE21 GLN A 29 42.897 -1.211 9.051 1.00 1.00 H new ATOM 0 HE22 GLN A 29 42.858 -2.975 8.962 1.00 1.00 H new ATOM 416 N GLU A 30 44.763 -0.052 2.278 1.00 1.00 N ATOM 417 CA GLU A 30 45.388 -0.252 0.972 1.00 1.00 C ATOM 418 C GLU A 30 45.938 1.076 0.452 1.00 1.00 C ATOM 419 O GLU A 30 47.044 1.114 -0.088 1.00 1.00 O ATOM 420 CB GLU A 30 44.350 -0.802 -0.011 1.00 1.00 C ATOM 421 CG GLU A 30 44.987 -1.063 -1.386 1.00 1.00 C ATOM 422 CD GLU A 30 45.940 -2.248 -1.296 1.00 1.00 C ATOM 423 OE1 GLU A 30 45.950 -2.895 -0.261 1.00 1.00 O ATOM 424 OE2 GLU A 30 46.640 -2.498 -2.266 1.00 1.00 O ATOM 0 H GLU A 30 43.751 -0.182 2.292 1.00 1.00 H new ATOM 0 HA GLU A 30 46.208 -0.963 1.069 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.926 -1.727 0.380 1.00 1.00 H new ATOM 0 HB3 GLU A 30 43.528 -0.093 -0.114 1.00 1.00 H new ATOM 0 HG2 GLU A 30 44.211 -1.264 -2.124 1.00 1.00 H new ATOM 0 HG3 GLU A 30 45.525 -0.177 -1.722 1.00 1.00 H new ATOM 431 N ILE A 31 45.189 2.164 0.633 1.00 1.00 N ATOM 432 CA ILE A 31 45.662 3.471 0.185 1.00 1.00 C ATOM 433 C ILE A 31 46.916 3.834 0.965 1.00 1.00 C ATOM 434 O ILE A 31 47.894 4.310 0.391 1.00 1.00 O ATOM 435 CB ILE A 31 44.591 4.548 0.402 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.410 4.303 -0.539 1.00 1.00 C ATOM 437 CG2 ILE A 31 45.187 5.927 0.110 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.236 5.194 -0.128 1.00 1.00 C ATOM 0 H ILE A 31 44.271 2.167 1.077 1.00 1.00 H new ATOM 0 HA ILE A 31 45.881 3.420 -0.882 1.00 1.00 H new ATOM 0 HB ILE A 31 44.247 4.505 1.435 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.700 4.517 -1.567 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.114 3.254 -0.503 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.426 6.692 0.264 1.00 1.00 H new ATOM 0 HG22 ILE A 31 46.027 6.110 0.781 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.533 5.962 -0.923 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.395 5.019 -0.799 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.940 4.958 0.894 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.535 6.240 -0.187 1.00 1.00 H new ATOM 450 N TYR A 32 46.892 3.592 2.267 1.00 1.00 N ATOM 451 CA TYR A 32 48.052 3.890 3.094 1.00 1.00 C ATOM 452 C TYR A 32 49.264 3.096 2.607 1.00 1.00 C ATOM 453 O TYR A 32 50.356 3.644 2.460 1.00 1.00 O ATOM 454 CB TYR A 32 47.766 3.537 4.556 1.00 1.00 C ATOM 455 CG TYR A 32 49.020 3.748 5.372 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.396 5.037 5.774 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.817 2.650 5.713 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.570 5.224 6.519 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.988 2.836 6.457 1.00 1.00 C ATOM 460 CZ TYR A 32 51.367 4.123 6.862 1.00 1.00 C ATOM 461 OH TYR A 32 52.529 4.309 7.589 1.00 1.00 O ATOM 0 H TYR A 32 46.096 3.197 2.768 1.00 1.00 H new ATOM 0 HA TYR A 32 48.265 4.956 3.018 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.958 4.159 4.941 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.436 2.501 4.635 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.782 5.886 5.510 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.528 1.657 5.402 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.860 6.217 6.829 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.601 1.986 6.719 1.00 1.00 H new ATOM 0 HH TYR A 32 52.961 3.443 7.742 1.00 1.00 H new ATOM 471 N LEU A 33 49.066 1.808 2.355 1.00 1.00 N ATOM 472 CA LEU A 33 50.162 0.967 1.880 1.00 1.00 C ATOM 473 C LEU A 33 50.658 1.439 0.513 1.00 1.00 C ATOM 474 O LEU A 33 51.866 1.496 0.263 1.00 1.00 O ATOM 475 CB LEU A 33 49.712 -0.492 1.785 1.00 1.00 C ATOM 476 CG LEU A 33 49.501 -1.079 3.185 1.00 1.00 C ATOM 477 CD1 LEU A 33 48.825 -2.444 3.050 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.853 -1.252 3.906 1.00 1.00 C ATOM 0 H LEU A 33 48.173 1.328 2.468 1.00 1.00 H new ATOM 0 HA LEU A 33 50.980 1.046 2.597 1.00 1.00 H new ATOM 0 HB2 LEU A 33 48.786 -0.557 1.213 1.00 1.00 H new ATOM 0 HB3 LEU A 33 50.460 -1.076 1.248 1.00 1.00 H new ATOM 0 HG LEU A 33 48.877 -0.401 3.767 1.00 1.00 H new ATOM 0 HD11 LEU A 33 48.669 -2.872 4.040 1.00 1.00 H new ATOM 0 HD12 LEU A 33 47.863 -2.326 2.550 1.00 1.00 H new ATOM 0 HD13 LEU A 33 49.460 -3.108 2.463 1.00 1.00 H new ATOM 0 HD21 LEU A 33 50.685 -1.670 4.899 1.00 1.00 H new ATOM 0 HD22 LEU A 33 51.488 -1.926 3.331 1.00 1.00 H new ATOM 0 HD23 LEU A 33 51.343 -0.283 3.998 1.00 1.00 H new ATOM 490 N SER A 34 49.727 1.784 -0.370 1.00 1.00 N ATOM 491 CA SER A 34 50.107 2.249 -1.698 1.00 1.00 C ATOM 492 C SER A 34 50.840 3.587 -1.598 1.00 1.00 C ATOM 493 O SER A 34 51.780 3.843 -2.346 1.00 1.00 O ATOM 494 CB SER A 34 48.873 2.406 -2.590 1.00 1.00 C ATOM 495 OG SER A 34 47.975 3.335 -1.997 1.00 1.00 O ATOM 0 H SER A 34 48.723 1.752 -0.195 1.00 1.00 H new ATOM 0 HA SER A 34 50.770 1.506 -2.142 1.00 1.00 H new ATOM 0 HB2 SER A 34 49.169 2.751 -3.581 1.00 1.00 H new ATOM 0 HB3 SER A 34 48.381 1.442 -2.722 1.00 1.00 H new ATOM 0 HG SER A 34 48.213 3.464 -1.055 1.00 1.00 H new ATOM 501 N GLY A 35 50.411 4.433 -0.666 1.00 1.00 N ATOM 502 CA GLY A 35 51.052 5.734 -0.490 1.00 1.00 C ATOM 503 C GLY A 35 52.491 5.586 -0.011 1.00 1.00 C ATOM 504 O GLY A 35 53.362 6.347 -0.429 1.00 1.00 O ATOM 0 H GLY A 35 49.635 4.247 -0.030 1.00 1.00 H new ATOM 0 HA2 GLY A 35 51.036 6.280 -1.433 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.486 6.325 0.230 1.00 1.00 H new ATOM 508 N LEU A 36 52.752 4.622 0.868 1.00 1.00 N ATOM 509 CA LEU A 36 54.102 4.425 1.388 1.00 1.00 C ATOM 510 C LEU A 36 55.053 4.070 0.251 1.00 1.00 C ATOM 511 O LEU A 36 56.172 4.585 0.184 1.00 1.00 O ATOM 512 CB LEU A 36 54.098 3.324 2.466 1.00 1.00 C ATOM 513 CG LEU A 36 55.514 3.092 3.010 1.00 1.00 C ATOM 514 CD1 LEU A 36 56.065 4.398 3.595 1.00 1.00 C ATOM 515 CD2 LEU A 36 55.459 2.028 4.113 1.00 1.00 C ATOM 0 H LEU A 36 52.055 3.972 1.232 1.00 1.00 H new ATOM 0 HA LEU A 36 54.448 5.351 1.847 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.432 3.608 3.281 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.709 2.397 2.045 1.00 1.00 H new ATOM 0 HG LEU A 36 56.163 2.757 2.201 1.00 1.00 H new ATOM 0 HD11 LEU A 36 57.071 4.228 3.980 1.00 1.00 H new ATOM 0 HD12 LEU A 36 56.098 5.160 2.816 1.00 1.00 H new ATOM 0 HD13 LEU A 36 55.418 4.735 4.405 1.00 1.00 H new ATOM 0 HD21 LEU A 36 56.462 1.858 4.505 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.809 2.371 4.918 1.00 1.00 H new ATOM 0 HD23 LEU A 36 55.067 1.098 3.702 1.00 1.00 H new ATOM 527 N ARG A 37 54.600 3.213 -0.653 1.00 1.00 N ATOM 528 CA ARG A 37 55.427 2.831 -1.794 1.00 1.00 C ATOM 529 C ARG A 37 55.720 4.051 -2.676 1.00 1.00 C ATOM 530 O ARG A 37 56.855 4.264 -3.104 1.00 1.00 O ATOM 531 CB ARG A 37 54.706 1.754 -2.619 1.00 1.00 C ATOM 532 CG ARG A 37 55.602 1.289 -3.777 1.00 1.00 C ATOM 533 CD ARG A 37 54.847 0.276 -4.641 1.00 1.00 C ATOM 534 NE ARG A 37 54.610 -0.954 -3.895 1.00 1.00 N ATOM 535 CZ ARG A 37 55.555 -1.888 -3.793 1.00 1.00 C ATOM 536 NH1 ARG A 37 56.719 -1.707 -4.359 1.00 1.00 N ATOM 537 NH2 ARG A 37 55.321 -2.983 -3.122 1.00 1.00 N ATOM 0 H ARG A 37 53.680 2.774 -0.623 1.00 1.00 H new ATOM 0 HA ARG A 37 56.372 2.433 -1.424 1.00 1.00 H new ATOM 0 HB2 ARG A 37 54.452 0.906 -1.982 1.00 1.00 H new ATOM 0 HB3 ARG A 37 53.769 2.151 -3.010 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.903 2.144 -4.382 1.00 1.00 H new ATOM 0 HG3 ARG A 37 56.514 0.839 -3.385 1.00 1.00 H new ATOM 0 HD2 ARG A 37 53.897 0.701 -4.964 1.00 1.00 H new ATOM 0 HD3 ARG A 37 55.421 0.057 -5.541 1.00 1.00 H new ATOM 0 HE ARG A 37 53.707 -1.102 -3.444 1.00 1.00 H new ATOM 0 HH11 ARG A 37 56.905 -0.850 -4.880 1.00 1.00 H new ATOM 0 HH12 ARG A 37 57.441 -2.423 -4.280 1.00 1.00 H new ATOM 0 HH21 ARG A 37 54.415 -3.124 -2.676 1.00 1.00 H new ATOM 0 HH22 ARG A 37 56.044 -3.698 -3.044 1.00 1.00 H new ATOM 551 N SER A 38 54.691 4.860 -2.921 1.00 1.00 N ATOM 552 CA SER A 38 54.826 6.079 -3.725 1.00 1.00 C ATOM 553 C SER A 38 55.622 7.151 -2.980 1.00 1.00 C ATOM 554 O SER A 38 56.383 7.915 -3.578 1.00 1.00 O ATOM 555 CB SER A 38 53.441 6.631 -4.075 1.00 1.00 C ATOM 556 OG SER A 38 53.544 7.498 -5.198 1.00 1.00 O ATOM 0 H SER A 38 53.747 4.694 -2.573 1.00 1.00 H new ATOM 0 HA SER A 38 55.364 5.819 -4.637 1.00 1.00 H new ATOM 0 HB2 SER A 38 52.757 5.812 -4.297 1.00 1.00 H new ATOM 0 HB3 SER A 38 53.027 7.170 -3.223 1.00 1.00 H new ATOM 0 HG SER A 38 52.657 7.850 -5.422 1.00 1.00 H new ATOM 562 N TRP A 39 55.416 7.213 -1.673 1.00 1.00 N ATOM 563 CA TRP A 39 56.084 8.202 -0.834 1.00 1.00 C ATOM 564 C TRP A 39 57.595 8.080 -0.925 1.00 1.00 C ATOM 565 O TRP A 39 58.300 9.079 -0.836 1.00 1.00 O ATOM 566 CB TRP A 39 55.654 8.046 0.620 1.00 1.00 C ATOM 567 CG TRP A 39 54.255 8.556 0.824 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.393 8.952 -0.154 1.00 1.00 C ATOM 569 CD2 TRP A 39 53.550 8.741 2.086 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.210 9.360 0.436 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.257 9.247 1.812 1.00 1.00 C ATOM 572 CE3 TRP A 39 53.905 8.516 3.431 1.00 1.00 C ATOM 573 CZ2 TRP A 39 51.348 9.518 2.834 1.00 1.00 C ATOM 574 CZ3 TRP A 39 52.989 8.790 4.463 1.00 1.00 C ATOM 575 CH2 TRP A 39 51.713 9.287 4.161 1.00 1.00 C ATOM 0 H TRP A 39 54.789 6.588 -1.167 1.00 1.00 H new ATOM 0 HA TRP A 39 55.792 9.187 -1.199 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.708 6.996 0.909 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.342 8.591 1.267 1.00 1.00 H new ATOM 0 HD1 TRP A 39 53.599 8.948 -1.214 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.401 9.703 -0.082 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.885 8.131 3.671 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 50.367 9.904 2.600 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 53.270 8.617 5.491 1.00 1.00 H new ATOM 0 HH2 TRP A 39 51.012 9.491 4.957 1.00 1.00 H new ATOM 586 N LYS A 40 58.100 6.867 -1.086 1.00 1.00 N ATOM 587 CA LYS A 40 59.546 6.695 -1.168 1.00 1.00 C ATOM 588 C LYS A 40 60.105 7.545 -2.303 1.00 1.00 C ATOM 589 O LYS A 40 61.164 8.154 -2.143 1.00 1.00 O ATOM 590 CB LYS A 40 59.906 5.231 -1.417 1.00 1.00 C ATOM 591 CG LYS A 40 61.432 5.074 -1.380 1.00 1.00 C ATOM 592 CD LYS A 40 61.808 3.603 -1.583 1.00 1.00 C ATOM 593 CE LYS A 40 63.329 3.455 -1.542 1.00 1.00 C ATOM 594 NZ LYS A 40 63.699 2.021 -1.705 1.00 1.00 N ATOM 0 H LYS A 40 57.552 6.010 -1.161 1.00 1.00 H new ATOM 0 HA LYS A 40 59.980 7.010 -0.219 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.445 4.597 -0.660 1.00 1.00 H new ATOM 0 HB3 LYS A 40 59.518 4.908 -2.383 1.00 1.00 H new ATOM 0 HG2 LYS A 40 61.889 5.686 -2.158 1.00 1.00 H new ATOM 0 HG3 LYS A 40 61.820 5.430 -0.426 1.00 1.00 H new ATOM 0 HD2 LYS A 40 61.351 2.989 -0.806 1.00 1.00 H new ATOM 0 HD3 LYS A 40 61.423 3.247 -2.538 1.00 1.00 H new ATOM 0 HE2 LYS A 40 63.783 4.050 -2.334 1.00 1.00 H new ATOM 0 HE3 LYS A 40 63.716 3.835 -0.596 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 64.734 1.924 -1.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 63.278 1.464 -0.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 63.344 1.672 -2.618 1.00 1.00 H new ATOM 608 N ARG A 41 59.439 7.586 -3.441 1.00 1.00 N ATOM 609 CA ARG A 41 59.955 8.370 -4.552 1.00 1.00 C ATOM 610 C ARG A 41 60.038 9.850 -4.169 1.00 1.00 C ATOM 611 O ARG A 41 60.989 10.561 -4.491 1.00 1.00 O ATOM 612 CB ARG A 41 59.029 8.223 -5.755 1.00 1.00 C ATOM 613 CG ARG A 41 59.146 6.809 -6.328 1.00 1.00 C ATOM 614 CD ARG A 41 58.182 6.661 -7.505 1.00 1.00 C ATOM 615 NE ARG A 41 58.257 5.307 -8.052 1.00 1.00 N ATOM 616 CZ ARG A 41 59.121 4.992 -9.015 1.00 1.00 C ATOM 617 NH1 ARG A 41 59.949 5.888 -9.468 1.00 1.00 N ATOM 618 NH2 ARG A 41 59.155 3.775 -9.491 1.00 1.00 N ATOM 0 H ARG A 41 58.561 7.100 -3.621 1.00 1.00 H new ATOM 0 HA ARG A 41 60.952 8.006 -4.800 1.00 1.00 H new ATOM 0 HB2 ARG A 41 57.999 8.422 -5.459 1.00 1.00 H new ATOM 0 HB3 ARG A 41 59.289 8.957 -6.518 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.169 6.620 -6.654 1.00 1.00 H new ATOM 0 HG3 ARG A 41 58.915 6.072 -5.559 1.00 1.00 H new ATOM 0 HD2 ARG A 41 57.164 6.874 -7.179 1.00 1.00 H new ATOM 0 HD3 ARG A 41 58.427 7.388 -8.279 1.00 1.00 H new ATOM 0 HE ARG A 41 57.633 4.587 -7.687 1.00 1.00 H new ATOM 0 HH11 ARG A 41 59.937 6.833 -9.085 1.00 1.00 H new ATOM 0 HH12 ARG A 41 60.610 5.645 -10.206 1.00 1.00 H new ATOM 0 HH21 ARG A 41 58.519 3.066 -9.125 1.00 1.00 H new ATOM 0 HH22 ARG A 41 59.817 3.534 -10.229 1.00 1.00 H new ATOM 632 N HIS A 42 58.998 10.264 -3.452 1.00 1.00 N ATOM 633 CA HIS A 42 58.872 11.637 -2.954 1.00 1.00 C ATOM 634 C HIS A 42 59.793 11.883 -1.747 1.00 1.00 C ATOM 635 O HIS A 42 60.320 12.981 -1.559 1.00 1.00 O ATOM 636 CB HIS A 42 57.415 11.914 -2.564 1.00 1.00 C ATOM 637 CG HIS A 42 56.575 12.031 -3.807 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.123 10.921 -4.504 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.091 13.121 -4.486 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.401 11.364 -5.551 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.352 12.699 -5.586 1.00 1.00 N ATOM 0 H HIS A 42 58.217 9.660 -3.198 1.00 1.00 H new ATOM 0 HA HIS A 42 59.174 12.316 -3.751 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.038 11.110 -1.932 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.352 12.833 -1.982 1.00 1.00 H new ATOM 0 HD1 HIS A 42 56.304 9.946 -4.267 1.00 1.00 H new ATOM 0 HD2 HIS A 42 56.259 14.151 -4.208 1.00 1.00 H new ATOM 0 HE1 HIS A 42 54.921 10.720 -6.273 1.00 1.00 H new ATOM 649 N LEU A 43 59.967 10.842 -0.944 1.00 1.00 N ATOM 650 CA LEU A 43 60.799 10.862 0.262 1.00 1.00 C ATOM 651 C LEU A 43 62.277 10.651 -0.078 1.00 1.00 C ATOM 652 O LEU A 43 63.129 10.702 0.809 1.00 1.00 O ATOM 653 CB LEU A 43 60.328 9.769 1.233 1.00 1.00 C ATOM 654 CG LEU A 43 60.771 10.084 2.669 1.00 1.00 C ATOM 655 CD1 LEU A 43 60.030 11.313 3.199 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.450 8.888 3.569 1.00 1.00 C ATOM 0 H LEU A 43 59.526 9.938 -1.113 1.00 1.00 H new ATOM 0 HA LEU A 43 60.696 11.841 0.730 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.242 9.685 1.193 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.734 8.805 0.926 1.00 1.00 H new ATOM 0 HG LEU A 43 61.843 10.284 2.670 1.00 1.00 H new ATOM 0 HD11 LEU A 43 60.355 11.523 4.218 1.00 1.00 H new ATOM 0 HD12 LEU A 43 60.249 12.172 2.564 1.00 1.00 H new ATOM 0 HD13 LEU A 43 58.957 11.122 3.193 1.00 1.00 H new ATOM 0 HD21 LEU A 43 60.763 9.107 4.590 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.377 8.697 3.551 1.00 1.00 H new ATOM 0 HD23 LEU A 43 60.981 8.008 3.207 1.00 1.00 H new ATOM 668 N SER A 44 62.587 10.362 -1.340 1.00 1.00 N ATOM 669 CA SER A 44 63.964 10.080 -1.732 1.00 1.00 C ATOM 670 C SER A 44 64.892 11.239 -1.390 1.00 1.00 C ATOM 671 O SER A 44 65.988 11.015 -0.875 1.00 1.00 O ATOM 672 CB SER A 44 64.029 9.830 -3.239 1.00 1.00 C ATOM 673 OG SER A 44 65.384 9.895 -3.669 1.00 1.00 O ATOM 0 H SER A 44 61.910 10.317 -2.101 1.00 1.00 H new ATOM 0 HA SER A 44 64.290 9.197 -1.182 1.00 1.00 H new ATOM 0 HB2 SER A 44 63.607 8.853 -3.476 1.00 1.00 H new ATOM 0 HB3 SER A 44 63.432 10.572 -3.768 1.00 1.00 H new ATOM 0 HG SER A 44 65.429 9.734 -4.635 1.00 1.00 H new ATOM 679 N ARG A 45 64.493 12.465 -1.692 1.00 1.00 N ATOM 680 CA ARG A 45 65.372 13.591 -1.414 1.00 1.00 C ATOM 681 C ARG A 45 65.680 13.671 0.079 1.00 1.00 C ATOM 682 O ARG A 45 66.840 13.756 0.476 1.00 1.00 O ATOM 683 CB ARG A 45 64.691 14.880 -1.875 1.00 1.00 C ATOM 684 CG ARG A 45 65.640 16.062 -1.696 1.00 1.00 C ATOM 685 CD ARG A 45 64.962 17.331 -2.216 1.00 1.00 C ATOM 686 NE ARG A 45 65.900 18.446 -2.201 1.00 1.00 N ATOM 687 CZ ARG A 45 65.473 19.700 -2.281 1.00 1.00 C ATOM 688 NH1 ARG A 45 64.196 19.948 -2.389 1.00 1.00 N ATOM 689 NH2 ARG A 45 66.330 20.682 -2.236 1.00 1.00 N ATOM 0 H ARG A 45 63.596 12.702 -2.116 1.00 1.00 H new ATOM 0 HA ARG A 45 66.311 13.456 -1.952 1.00 1.00 H new ATOM 0 HB2 ARG A 45 64.398 14.793 -2.921 1.00 1.00 H new ATOM 0 HB3 ARG A 45 63.779 15.045 -1.302 1.00 1.00 H new ATOM 0 HG2 ARG A 45 65.901 16.179 -0.644 1.00 1.00 H new ATOM 0 HG3 ARG A 45 66.569 15.883 -2.237 1.00 1.00 H new ATOM 0 HD2 ARG A 45 64.597 17.167 -3.230 1.00 1.00 H new ATOM 0 HD3 ARG A 45 64.095 17.568 -1.599 1.00 1.00 H new ATOM 0 HE ARG A 45 66.900 18.260 -2.128 1.00 1.00 H new ATOM 0 HH11 ARG A 45 63.527 19.178 -2.412 1.00 1.00 H new ATOM 0 HH12 ARG A 45 63.867 20.912 -2.451 1.00 1.00 H new ATOM 0 HH21 ARG A 45 67.326 20.485 -2.140 1.00 1.00 H new ATOM 0 HH22 ARG A 45 66.004 21.647 -2.297 1.00 1.00 H new ATOM 703 N PHE A 46 64.636 13.645 0.902 1.00 1.00 N ATOM 704 CA PHE A 46 64.803 13.718 2.352 1.00 1.00 C ATOM 705 C PHE A 46 65.475 12.462 2.908 1.00 1.00 C ATOM 706 O PHE A 46 66.291 12.538 3.820 1.00 1.00 O ATOM 707 CB PHE A 46 63.448 13.913 3.025 1.00 1.00 C ATOM 708 CG PHE A 46 62.930 15.285 2.687 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.310 16.389 3.461 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.078 15.460 1.592 1.00 1.00 C ATOM 711 CE1 PHE A 46 62.838 17.664 3.139 1.00 1.00 C ATOM 712 CE2 PHE A 46 61.603 16.736 1.270 1.00 1.00 C ATOM 713 CZ PHE A 46 61.984 17.838 2.044 1.00 1.00 C ATOM 0 H PHE A 46 63.667 13.574 0.592 1.00 1.00 H new ATOM 0 HA PHE A 46 65.448 14.570 2.567 1.00 1.00 H new ATOM 0 HB2 PHE A 46 62.746 13.151 2.687 1.00 1.00 H new ATOM 0 HB3 PHE A 46 63.544 13.802 4.105 1.00 1.00 H new ATOM 0 HD1 PHE A 46 63.968 16.255 4.307 1.00 1.00 H new ATOM 0 HD2 PHE A 46 61.786 14.609 0.994 1.00 1.00 H new ATOM 0 HE1 PHE A 46 63.132 18.515 3.735 1.00 1.00 H new ATOM 0 HE2 PHE A 46 60.943 16.870 0.425 1.00 1.00 H new ATOM 0 HZ PHE A 46 61.619 18.824 1.796 1.00 1.00 H new ATOM 723 N TRP A 47 65.106 11.310 2.365 1.00 1.00 N ATOM 724 CA TRP A 47 65.659 10.039 2.816 1.00 1.00 C ATOM 725 C TRP A 47 67.167 9.956 2.562 1.00 1.00 C ATOM 726 O TRP A 47 67.918 9.442 3.391 1.00 1.00 O ATOM 727 CB TRP A 47 64.928 8.893 2.108 1.00 1.00 C ATOM 728 CG TRP A 47 65.653 7.608 2.327 1.00 1.00 C ATOM 729 CD1 TRP A 47 65.792 6.989 3.522 1.00 1.00 C ATOM 730 CD2 TRP A 47 66.316 6.763 1.346 1.00 1.00 C ATOM 731 NE1 TRP A 47 66.507 5.821 3.336 1.00 1.00 N ATOM 732 CE2 TRP A 47 66.852 5.636 2.012 1.00 1.00 C ATOM 733 CE3 TRP A 47 66.507 6.862 -0.046 1.00 1.00 C ATOM 734 CZ2 TRP A 47 67.552 4.643 1.328 1.00 1.00 C ATOM 735 CZ3 TRP A 47 67.212 5.864 -0.737 1.00 1.00 C ATOM 736 CH2 TRP A 47 67.733 4.756 -0.053 1.00 1.00 C ATOM 0 H TRP A 47 64.425 11.229 1.610 1.00 1.00 H new ATOM 0 HA TRP A 47 65.512 9.959 3.893 1.00 1.00 H new ATOM 0 HB2 TRP A 47 63.909 8.813 2.486 1.00 1.00 H new ATOM 0 HB3 TRP A 47 64.857 9.102 1.041 1.00 1.00 H new ATOM 0 HD1 TRP A 47 65.408 7.348 4.465 1.00 1.00 H new ATOM 0 HE1 TRP A 47 66.750 5.174 4.086 1.00 1.00 H new ATOM 0 HE3 TRP A 47 66.109 7.710 -0.584 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 67.951 3.793 1.861 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 67.354 5.950 -1.804 1.00 1.00 H new ATOM 0 HH2 TRP A 47 68.273 3.992 -0.592 1.00 1.00 H new ATOM 747 N ASN A 48 67.602 10.464 1.408 1.00 1.00 N ATOM 748 CA ASN A 48 69.021 10.443 1.049 1.00 1.00 C ATOM 749 C ASN A 48 69.687 11.797 1.278 1.00 1.00 C ATOM 750 O ASN A 48 70.794 12.038 0.796 1.00 1.00 O ATOM 751 CB ASN A 48 69.181 10.035 -0.414 1.00 1.00 C ATOM 752 CG ASN A 48 68.853 8.553 -0.595 1.00 1.00 C ATOM 753 OD1 ASN A 48 68.478 8.134 -1.688 1.00 1.00 O ATOM 754 ND2 ASN A 48 68.985 7.726 0.411 1.00 1.00 N ATOM 0 H ASN A 48 66.996 10.893 0.709 1.00 1.00 H new ATOM 0 HA ASN A 48 69.512 9.715 1.695 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.523 10.638 -1.040 1.00 1.00 H new ATOM 0 HB3 ASN A 48 70.202 10.231 -0.743 1.00 1.00 H new ATOM 0 HD21 ASN A 48 68.777 6.735 0.287 1.00 1.00 H new ATOM 0 HD22 ASN A 48 69.296 8.072 1.319 1.00 1.00 H new ATOM 761 N ASP A 49 69.018 12.681 2.011 1.00 1.00 N ATOM 762 CA ASP A 49 69.583 14.002 2.283 1.00 1.00 C ATOM 763 C ASP A 49 70.849 13.880 3.130 1.00 1.00 C ATOM 764 O ASP A 49 71.788 14.658 2.970 1.00 1.00 O ATOM 765 CB ASP A 49 68.570 14.897 3.004 1.00 1.00 C ATOM 766 CG ASP A 49 68.139 14.273 4.327 1.00 1.00 C ATOM 767 OD1 ASP A 49 68.536 13.152 4.593 1.00 1.00 O ATOM 768 OD2 ASP A 49 67.413 14.929 5.057 1.00 1.00 O ATOM 0 H ASP A 49 68.100 12.514 2.422 1.00 1.00 H new ATOM 0 HA ASP A 49 69.833 14.458 1.325 1.00 1.00 H new ATOM 0 HB2 ASP A 49 69.010 15.878 3.186 1.00 1.00 H new ATOM 0 HB3 ASP A 49 67.698 15.051 2.369 1.00 1.00 H new ATOM 773 N PHE A 50 70.866 12.904 4.034 1.00 1.00 N ATOM 774 CA PHE A 50 72.023 12.698 4.900 1.00 1.00 C ATOM 775 C PHE A 50 72.333 11.209 5.021 1.00 1.00 C ATOM 776 O PHE A 50 72.970 10.682 4.125 1.00 1.00 O ATOM 777 CB PHE A 50 71.755 13.288 6.286 1.00 1.00 C ATOM 778 CG PHE A 50 72.950 13.042 7.181 1.00 1.00 C ATOM 779 CD1 PHE A 50 74.086 13.855 7.069 1.00 1.00 C ATOM 780 CD2 PHE A 50 72.932 11.997 8.113 1.00 1.00 C ATOM 781 CE1 PHE A 50 75.198 13.626 7.887 1.00 1.00 C ATOM 782 CE2 PHE A 50 74.046 11.768 8.932 1.00 1.00 C ATOM 783 CZ PHE A 50 75.178 12.583 8.818 1.00 1.00 C ATOM 784 OXT PHE A 50 71.925 10.615 6.005 1.00 1.00 O ATOM 0 H PHE A 50 70.099 12.249 4.185 1.00 1.00 H new ATOM 0 HA PHE A 50 72.883 13.203 4.459 1.00 1.00 H new ATOM 0 HB2 PHE A 50 71.562 14.358 6.206 1.00 1.00 H new ATOM 0 HB3 PHE A 50 70.864 12.835 6.719 1.00 1.00 H new ATOM 0 HD1 PHE A 50 74.103 14.660 6.350 1.00 1.00 H new ATOM 0 HD2 PHE A 50 72.059 11.367 8.201 1.00 1.00 H new ATOM 0 HE1 PHE A 50 76.072 14.255 7.799 1.00 1.00 H new ATOM 0 HE2 PHE A 50 74.031 10.962 9.651 1.00 1.00 H new ATOM 0 HZ PHE A 50 76.036 12.406 9.449 1.00 1.00 H new TER 794 PHE A 50