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+ 142:sc= -3.56! (180deg=-6.09!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 6 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.24) 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 120:sc= -1.84 USER MOD Single : A 24 SER OG : rot 8:sc= 0.12 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -12:sc= 0.292 USER MOD Single : A 38 SER OG : rot -14:sc= 0.585 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.773 K(o=0.77,f=-2.5!) USER MOD Single : A 44 SER OG : rot -109:sc= 1.23 USER MOD Single : A 48 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.708 -27.864 25.085 1.00 1.00 N ATOM 2 CA MET A 1 18.015 -29.088 24.600 1.00 1.00 C ATOM 3 C MET A 1 16.765 -28.683 23.825 1.00 1.00 C ATOM 4 O MET A 1 15.980 -27.857 24.288 1.00 1.00 O ATOM 5 CB MET A 1 17.627 -29.948 25.802 1.00 1.00 C ATOM 6 CG MET A 1 18.892 -30.487 26.473 1.00 1.00 C ATOM 7 SD MET A 1 18.427 -31.481 27.910 1.00 1.00 S ATOM 8 CE MET A 1 20.083 -31.672 28.611 1.00 1.00 C ATOM 0 H1 MET A 1 19.092 -28.036 26.036 1.00 1.00 H new ATOM 0 H2 MET A 1 19.485 -27.624 24.436 1.00 1.00 H new ATOM 0 H3 MET A 1 18.032 -27.074 25.123 1.00 1.00 H new ATOM 0 HA MET A 1 18.674 -29.658 23.944 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.048 -29.358 26.513 1.00 1.00 H new ATOM 0 HB3 MET A 1 16.992 -30.774 25.482 1.00 1.00 H new ATOM 0 HG2 MET A 1 19.463 -31.091 25.768 1.00 1.00 H new ATOM 0 HG3 MET A 1 19.535 -29.662 26.779 1.00 1.00 H new ATOM 0 HE1 MET A 1 20.026 -32.266 29.523 1.00 1.00 H new ATOM 0 HE2 MET A 1 20.727 -32.175 27.890 1.00 1.00 H new ATOM 0 HE3 MET A 1 20.496 -30.690 28.843 1.00 1.00 H new ATOM 20 N ALA A 2 16.593 -29.271 22.644 1.00 1.00 N ATOM 21 CA ALA A 2 15.435 -28.967 21.804 1.00 1.00 C ATOM 22 C ALA A 2 14.136 -29.344 22.512 1.00 1.00 C ATOM 23 O ALA A 2 13.073 -28.795 22.215 1.00 1.00 O ATOM 24 CB ALA A 2 15.540 -29.716 20.477 1.00 1.00 C ATOM 0 H ALA A 2 17.236 -29.957 22.248 1.00 1.00 H new ATOM 0 HA ALA A 2 15.424 -27.894 21.612 1.00 1.00 H new ATOM 0 HB1 ALA A 2 14.673 -29.483 19.858 1.00 1.00 H new ATOM 0 HB2 ALA A 2 16.449 -29.411 19.958 1.00 1.00 H new ATOM 0 HB3 ALA A 2 15.573 -30.789 20.666 1.00 1.00 H new ATOM 30 N GLU A 3 14.227 -30.293 23.438 1.00 1.00 N ATOM 31 CA GLU A 3 13.057 -30.745 24.176 1.00 1.00 C ATOM 32 C GLU A 3 12.492 -29.626 25.047 1.00 1.00 C ATOM 33 O GLU A 3 11.279 -29.534 25.233 1.00 1.00 O ATOM 34 CB GLU A 3 13.424 -31.946 25.050 1.00 1.00 C ATOM 35 CG GLU A 3 13.747 -33.147 24.162 1.00 1.00 C ATOM 36 CD GLU A 3 14.179 -34.327 25.022 1.00 1.00 C ATOM 37 OE1 GLU A 3 14.214 -34.174 26.233 1.00 1.00 O ATOM 38 OE2 GLU A 3 14.473 -35.365 24.456 1.00 1.00 O ATOM 0 H GLU A 3 15.096 -30.761 23.693 1.00 1.00 H new ATOM 0 HA GLU A 3 12.293 -31.038 23.456 1.00 1.00 H new ATOM 0 HB2 GLU A 3 14.282 -31.703 25.677 1.00 1.00 H new ATOM 0 HB3 GLU A 3 12.598 -32.187 25.719 1.00 1.00 H new ATOM 0 HG2 GLU A 3 12.873 -33.418 23.570 1.00 1.00 H new ATOM 0 HG3 GLU A 3 14.540 -32.888 23.460 1.00 1.00 H new ATOM 45 N ALA A 4 13.377 -28.783 25.578 1.00 1.00 N ATOM 46 CA ALA A 4 12.959 -27.672 26.433 1.00 1.00 C ATOM 47 C ALA A 4 13.381 -26.331 25.834 1.00 1.00 C ATOM 48 O ALA A 4 14.508 -26.171 25.356 1.00 1.00 O ATOM 49 CB ALA A 4 13.584 -27.823 27.815 1.00 1.00 C ATOM 0 H ALA A 4 14.384 -28.847 25.432 1.00 1.00 H new ATOM 0 HA ALA A 4 11.872 -27.693 26.511 1.00 1.00 H new ATOM 0 HB1 ALA A 4 13.270 -26.994 28.449 1.00 1.00 H new ATOM 0 HB2 ALA A 4 13.259 -28.763 28.261 1.00 1.00 H new ATOM 0 HB3 ALA A 4 14.670 -27.820 27.725 1.00 1.00 H new ATOM 55 N HIS A 5 12.469 -25.368 25.872 1.00 1.00 N ATOM 56 CA HIS A 5 12.744 -24.039 25.337 1.00 1.00 C ATOM 57 C HIS A 5 13.815 -23.332 26.164 1.00 1.00 C ATOM 58 O HIS A 5 14.686 -22.655 25.616 1.00 1.00 O ATOM 59 CB HIS A 5 11.466 -23.199 25.337 1.00 1.00 C ATOM 60 CG HIS A 5 10.525 -23.718 24.288 1.00 1.00 C ATOM 61 ND1 HIS A 5 9.686 -24.797 24.517 1.00 1.00 N ATOM 62 CD2 HIS A 5 10.277 -23.319 22.998 1.00 1.00 C ATOM 63 CE1 HIS A 5 8.977 -25.009 23.389 1.00 1.00 C ATOM 64 NE2 HIS A 5 9.300 -24.136 22.434 1.00 1.00 N ATOM 0 H HIS A 5 11.535 -25.481 26.266 1.00 1.00 H new ATOM 0 HA HIS A 5 13.107 -24.153 24.315 1.00 1.00 H new ATOM 0 HB2 HIS A 5 10.992 -23.239 26.318 1.00 1.00 H new ATOM 0 HB3 HIS A 5 11.705 -22.154 25.141 1.00 1.00 H new ATOM 0 HD2 HIS A 5 10.765 -22.496 22.497 1.00 1.00 H new ATOM 0 HE1 HIS A 5 8.239 -25.789 23.274 1.00 1.00 H new ATOM 0 HE2 HIS A 5 8.914 -24.079 21.492 1.00 1.00 H new ATOM 72 N GLN A 6 13.737 -23.486 27.485 1.00 1.00 N ATOM 73 CA GLN A 6 14.691 -22.853 28.386 1.00 1.00 C ATOM 74 C GLN A 6 16.100 -23.386 28.140 1.00 1.00 C ATOM 75 O GLN A 6 17.072 -22.628 28.169 1.00 1.00 O ATOM 76 CB GLN A 6 14.281 -23.110 29.845 1.00 1.00 C ATOM 77 CG GLN A 6 12.934 -22.434 30.141 1.00 1.00 C ATOM 78 CD GLN A 6 13.065 -20.923 30.009 1.00 1.00 C ATOM 79 OE1 GLN A 6 13.939 -20.316 30.632 1.00 1.00 O ATOM 80 NE2 GLN A 6 12.244 -20.278 29.228 1.00 1.00 N ATOM 0 H GLN A 6 13.022 -24.044 27.952 1.00 1.00 H new ATOM 0 HA GLN A 6 14.689 -21.780 28.195 1.00 1.00 H new ATOM 0 HB2 GLN A 6 14.206 -24.182 30.027 1.00 1.00 H new ATOM 0 HB3 GLN A 6 15.046 -22.725 30.519 1.00 1.00 H new ATOM 0 HG2 GLN A 6 12.174 -22.802 29.451 1.00 1.00 H new ATOM 0 HG3 GLN A 6 12.603 -22.691 31.147 1.00 1.00 H new ATOM 0 HE21 GLN A 6 11.523 -20.786 28.715 1.00 1.00 H new ATOM 0 HE22 GLN A 6 12.323 -19.266 29.130 1.00 1.00 H new ATOM 89 N ALA A 7 16.207 -24.689 27.897 1.00 1.00 N ATOM 90 CA ALA A 7 17.504 -25.299 27.648 1.00 1.00 C ATOM 91 C ALA A 7 18.131 -24.717 26.384 1.00 1.00 C ATOM 92 O ALA A 7 19.337 -24.473 26.328 1.00 1.00 O ATOM 93 CB ALA A 7 17.341 -26.814 27.499 1.00 1.00 C ATOM 0 H ALA A 7 15.418 -25.335 27.868 1.00 1.00 H new ATOM 0 HA ALA A 7 18.161 -25.088 28.492 1.00 1.00 H new ATOM 0 HB1 ALA A 7 18.314 -27.268 27.313 1.00 1.00 H new ATOM 0 HB2 ALA A 7 16.918 -27.226 28.415 1.00 1.00 H new ATOM 0 HB3 ALA A 7 16.675 -27.028 26.663 1.00 1.00 H new ATOM 99 N VAL A 8 17.304 -24.490 25.373 1.00 1.00 N ATOM 100 CA VAL A 8 17.785 -23.926 24.113 1.00 1.00 C ATOM 101 C VAL A 8 18.341 -22.525 24.336 1.00 1.00 C ATOM 102 O VAL A 8 19.415 -22.186 23.844 1.00 1.00 O ATOM 103 CB VAL A 8 16.638 -23.864 23.097 1.00 1.00 C ATOM 104 CG1 VAL A 8 17.103 -23.114 21.846 1.00 1.00 C ATOM 105 CG2 VAL A 8 16.209 -25.284 22.707 1.00 1.00 C ATOM 0 H VAL A 8 16.303 -24.685 25.397 1.00 1.00 H new ATOM 0 HA VAL A 8 18.579 -24.566 23.728 1.00 1.00 H new ATOM 0 HB VAL A 8 15.792 -23.342 23.545 1.00 1.00 H new ATOM 0 HG11 VAL A 8 16.288 -23.070 21.124 1.00 1.00 H new ATOM 0 HG12 VAL A 8 17.401 -22.102 22.119 1.00 1.00 H new ATOM 0 HG13 VAL A 8 17.952 -23.636 21.404 1.00 1.00 H new ATOM 0 HG21 VAL A 8 15.394 -25.232 21.985 1.00 1.00 H new ATOM 0 HG22 VAL A 8 17.054 -25.810 22.263 1.00 1.00 H new ATOM 0 HG23 VAL A 8 15.874 -25.820 23.595 1.00 1.00 H new ATOM 115 N GLY A 9 17.602 -21.715 25.084 1.00 1.00 N ATOM 116 CA GLY A 9 18.038 -20.354 25.369 1.00 1.00 C ATOM 117 C GLY A 9 17.736 -19.432 24.198 1.00 1.00 C ATOM 118 O GLY A 9 17.025 -19.807 23.268 1.00 1.00 O ATOM 0 H GLY A 9 16.707 -21.973 25.500 1.00 1.00 H new ATOM 0 HA2 GLY A 9 17.537 -19.987 26.265 1.00 1.00 H new ATOM 0 HA3 GLY A 9 19.108 -20.346 25.577 1.00 1.00 H new ATOM 122 N PHE A 10 18.276 -18.218 24.257 1.00 1.00 N ATOM 123 CA PHE A 10 18.059 -17.234 23.199 1.00 1.00 C ATOM 124 C PHE A 10 19.386 -16.645 22.729 1.00 1.00 C ATOM 125 O PHE A 10 20.343 -16.554 23.498 1.00 1.00 O ATOM 126 CB PHE A 10 17.148 -16.115 23.709 1.00 1.00 C ATOM 127 CG PHE A 10 15.765 -16.666 23.971 1.00 1.00 C ATOM 128 CD1 PHE A 10 14.840 -16.768 22.926 1.00 1.00 C ATOM 129 CD2 PHE A 10 15.411 -17.076 25.261 1.00 1.00 C ATOM 130 CE1 PHE A 10 13.561 -17.277 23.171 1.00 1.00 C ATOM 131 CE2 PHE A 10 14.131 -17.586 25.508 1.00 1.00 C ATOM 132 CZ PHE A 10 13.203 -17.687 24.464 1.00 1.00 C ATOM 0 H PHE A 10 18.865 -17.892 25.023 1.00 1.00 H new ATOM 0 HA PHE A 10 17.583 -17.734 22.355 1.00 1.00 H new ATOM 0 HB2 PHE A 10 17.559 -15.686 24.623 1.00 1.00 H new ATOM 0 HB3 PHE A 10 17.097 -15.311 22.975 1.00 1.00 H new ATOM 0 HD1 PHE A 10 15.114 -16.453 21.930 1.00 1.00 H new ATOM 0 HD2 PHE A 10 16.126 -16.999 26.067 1.00 1.00 H new ATOM 0 HE1 PHE A 10 12.848 -17.355 22.364 1.00 1.00 H new ATOM 0 HE2 PHE A 10 13.859 -17.902 26.504 1.00 1.00 H new ATOM 0 HZ PHE A 10 12.215 -18.079 24.654 1.00 1.00 H new ATOM 142 N ARG A 11 19.436 -16.255 21.458 1.00 1.00 N ATOM 143 CA ARG A 11 20.648 -15.679 20.884 1.00 1.00 C ATOM 144 C ARG A 11 20.346 -14.317 20.255 1.00 1.00 C ATOM 145 O ARG A 11 20.144 -14.216 19.044 1.00 1.00 O ATOM 146 CB ARG A 11 21.212 -16.615 19.811 1.00 1.00 C ATOM 147 CG ARG A 11 22.666 -16.241 19.519 1.00 1.00 C ATOM 148 CD ARG A 11 23.226 -17.170 18.439 1.00 1.00 C ATOM 149 NE ARG A 11 22.367 -17.155 17.257 1.00 1.00 N ATOM 150 CZ ARG A 11 22.751 -17.733 16.124 1.00 1.00 C ATOM 151 NH1 ARG A 11 23.903 -18.341 16.064 1.00 1.00 N ATOM 152 NH2 ARG A 11 21.977 -17.695 15.074 1.00 1.00 N ATOM 0 H ARG A 11 18.653 -16.327 20.808 1.00 1.00 H new ATOM 0 HA ARG A 11 21.380 -15.550 21.681 1.00 1.00 H new ATOM 0 HB2 ARG A 11 21.153 -17.650 20.149 1.00 1.00 H new ATOM 0 HB3 ARG A 11 20.617 -16.542 18.901 1.00 1.00 H new ATOM 0 HG2 ARG A 11 22.726 -15.204 19.189 1.00 1.00 H new ATOM 0 HG3 ARG A 11 23.263 -16.321 20.428 1.00 1.00 H new ATOM 0 HD2 ARG A 11 24.234 -16.856 18.168 1.00 1.00 H new ATOM 0 HD3 ARG A 11 23.302 -18.185 18.828 1.00 1.00 H new ATOM 0 HE ARG A 11 21.458 -16.694 17.302 1.00 1.00 H new ATOM 0 HH11 ARG A 11 24.507 -18.372 16.886 1.00 1.00 H new ATOM 0 HH12 ARG A 11 24.200 -18.786 15.196 1.00 1.00 H new ATOM 0 HH21 ARG A 11 21.075 -17.221 15.122 1.00 1.00 H new ATOM 0 HH22 ARG A 11 22.274 -18.139 14.205 1.00 1.00 H new ATOM 166 N PRO A 12 20.304 -13.277 21.045 1.00 1.00 N ATOM 167 CA PRO A 12 20.011 -11.904 20.544 1.00 1.00 C ATOM 168 C PRO A 12 21.055 -11.430 19.539 1.00 1.00 C ATOM 169 O PRO A 12 22.237 -11.755 19.663 1.00 1.00 O ATOM 170 CB PRO A 12 20.036 -11.028 21.800 1.00 1.00 C ATOM 171 CG PRO A 12 19.935 -11.962 22.957 1.00 1.00 C ATOM 172 CD PRO A 12 20.525 -13.290 22.493 1.00 1.00 C ATOM 0 HA PRO A 12 19.058 -11.863 20.016 1.00 1.00 H new ATOM 0 HB2 PRO A 12 20.955 -10.444 21.850 1.00 1.00 H new ATOM 0 HB3 PRO A 12 19.208 -10.319 21.798 1.00 1.00 H new ATOM 0 HG2 PRO A 12 20.481 -11.574 23.817 1.00 1.00 H new ATOM 0 HG3 PRO A 12 18.897 -12.085 23.267 1.00 1.00 H new ATOM 0 HD2 PRO A 12 21.585 -13.365 22.736 1.00 1.00 H new ATOM 0 HD3 PRO A 12 20.029 -14.137 22.967 1.00 1.00 H new ATOM 180 N SER A 13 20.608 -10.664 18.544 1.00 1.00 N ATOM 181 CA SER A 13 21.513 -10.151 17.520 1.00 1.00 C ATOM 182 C SER A 13 22.406 -9.055 18.091 1.00 1.00 C ATOM 183 O SER A 13 21.989 -8.298 18.968 1.00 1.00 O ATOM 184 CB SER A 13 20.714 -9.585 16.343 1.00 1.00 C ATOM 185 OG SER A 13 20.219 -10.654 15.551 1.00 1.00 O ATOM 0 H SER A 13 19.633 -10.388 18.427 1.00 1.00 H new ATOM 0 HA SER A 13 22.136 -10.977 17.176 1.00 1.00 H new ATOM 0 HB2 SER A 13 19.887 -8.976 16.710 1.00 1.00 H new ATOM 0 HB3 SER A 13 21.346 -8.934 15.740 1.00 1.00 H new ATOM 0 HG SER A 13 19.706 -10.293 14.798 1.00 1.00 H new ATOM 191 N LEU A 14 23.634 -8.975 17.584 1.00 1.00 N ATOM 192 CA LEU A 14 24.585 -7.968 18.046 1.00 1.00 C ATOM 193 C LEU A 14 24.839 -6.929 16.963 1.00 1.00 C ATOM 194 O LEU A 14 25.200 -7.265 15.837 1.00 1.00 O ATOM 195 CB LEU A 14 25.911 -8.635 18.433 1.00 1.00 C ATOM 196 CG LEU A 14 26.856 -7.604 19.067 1.00 1.00 C ATOM 197 CD1 LEU A 14 26.257 -7.045 20.358 1.00 1.00 C ATOM 198 CD2 LEU A 14 28.187 -8.271 19.390 1.00 1.00 C ATOM 0 H LEU A 14 23.993 -9.593 16.856 1.00 1.00 H new ATOM 0 HA LEU A 14 24.158 -7.472 18.917 1.00 1.00 H new ATOM 0 HB2 LEU A 14 25.726 -9.449 19.134 1.00 1.00 H new ATOM 0 HB3 LEU A 14 26.378 -9.073 17.551 1.00 1.00 H new ATOM 0 HG LEU A 14 27.003 -6.787 18.360 1.00 1.00 H new ATOM 0 HD11 LEU A 14 26.942 -6.316 20.791 1.00 1.00 H new ATOM 0 HD12 LEU A 14 25.305 -6.562 20.138 1.00 1.00 H new ATOM 0 HD13 LEU A 14 26.096 -7.858 21.066 1.00 1.00 H new ATOM 0 HD21 LEU A 14 28.860 -7.541 19.840 1.00 1.00 H new ATOM 0 HD22 LEU A 14 28.023 -9.092 20.088 1.00 1.00 H new ATOM 0 HD23 LEU A 14 28.632 -8.658 18.473 1.00 1.00 H new ATOM 210 N THR A 15 24.650 -5.663 17.321 1.00 1.00 N ATOM 211 CA THR A 15 24.858 -4.563 16.384 1.00 1.00 C ATOM 212 C THR A 15 26.070 -3.730 16.788 1.00 1.00 C ATOM 213 O THR A 15 26.394 -2.742 16.133 1.00 1.00 O ATOM 214 CB THR A 15 23.620 -3.664 16.341 1.00 1.00 C ATOM 215 OG1 THR A 15 23.422 -3.078 17.622 1.00 1.00 O ATOM 216 CG2 THR A 15 22.392 -4.492 15.958 1.00 1.00 C ATOM 0 H THR A 15 24.353 -5.373 18.253 1.00 1.00 H new ATOM 0 HA THR A 15 25.034 -4.990 15.397 1.00 1.00 H new ATOM 0 HB THR A 15 23.766 -2.879 15.598 1.00 1.00 H new ATOM 0 HG1 THR A 15 22.631 -2.500 17.599 1.00 1.00 H new ATOM 0 HG21 THR A 15 21.513 -3.848 15.929 1.00 1.00 H new ATOM 0 HG22 THR A 15 22.547 -4.939 14.976 1.00 1.00 H new ATOM 0 HG23 THR A 15 22.240 -5.280 16.696 1.00 1.00 H new ATOM 224 N SER A 16 26.735 -4.134 17.867 1.00 1.00 N ATOM 225 CA SER A 16 27.909 -3.414 18.346 1.00 1.00 C ATOM 226 C SER A 16 29.008 -3.419 17.284 1.00 1.00 C ATOM 227 O SER A 16 29.782 -2.469 17.178 1.00 1.00 O ATOM 228 CB SER A 16 28.431 -4.058 19.629 1.00 1.00 C ATOM 229 OG SER A 16 28.773 -5.412 19.363 1.00 1.00 O ATOM 0 H SER A 16 26.482 -4.951 18.423 1.00 1.00 H new ATOM 0 HA SER A 16 27.622 -2.383 18.552 1.00 1.00 H new ATOM 0 HB2 SER A 16 29.302 -3.515 19.995 1.00 1.00 H new ATOM 0 HB3 SER A 16 27.673 -4.008 20.410 1.00 1.00 H new ATOM 0 HG SER A 16 29.725 -5.552 19.551 1.00 1.00 H new ATOM 235 N ASP A 17 29.074 -4.502 16.504 1.00 1.00 N ATOM 236 CA ASP A 17 30.086 -4.622 15.453 1.00 1.00 C ATOM 237 C ASP A 17 29.564 -4.080 14.123 1.00 1.00 C ATOM 238 O ASP A 17 30.261 -4.125 13.105 1.00 1.00 O ATOM 239 CB ASP A 17 30.485 -6.087 15.279 1.00 1.00 C ATOM 240 CG ASP A 17 29.248 -6.934 15.001 1.00 1.00 C ATOM 241 OD1 ASP A 17 28.155 -6.392 15.052 1.00 1.00 O ATOM 242 OD2 ASP A 17 29.410 -8.113 14.740 1.00 1.00 O ATOM 0 H ASP A 17 28.444 -5.301 16.580 1.00 1.00 H new ATOM 0 HA ASP A 17 30.954 -4.035 15.753 1.00 1.00 H new ATOM 0 HB2 ASP A 17 31.195 -6.184 14.457 1.00 1.00 H new ATOM 0 HB3 ASP A 17 30.987 -6.445 16.178 1.00 1.00 H new ATOM 247 N GLY A 18 28.341 -3.566 14.140 1.00 1.00 N ATOM 248 CA GLY A 18 27.743 -3.013 12.930 1.00 1.00 C ATOM 249 C GLY A 18 28.450 -1.720 12.538 1.00 1.00 C ATOM 250 O GLY A 18 29.144 -1.109 13.352 1.00 1.00 O ATOM 0 H GLY A 18 27.748 -3.520 14.969 1.00 1.00 H new ATOM 0 HA2 GLY A 18 27.814 -3.736 12.117 1.00 1.00 H new ATOM 0 HA3 GLY A 18 26.683 -2.821 13.094 1.00 1.00 H new ATOM 254 N ALA A 19 28.281 -1.316 11.284 1.00 1.00 N ATOM 255 CA ALA A 19 28.923 -0.098 10.799 1.00 1.00 C ATOM 256 C ALA A 19 28.045 0.626 9.783 1.00 1.00 C ATOM 257 O ALA A 19 27.286 0.000 9.040 1.00 1.00 O ATOM 258 CB ALA A 19 30.269 -0.439 10.150 1.00 1.00 C ATOM 0 H ALA A 19 27.713 -1.806 10.592 1.00 1.00 H new ATOM 0 HA ALA A 19 29.078 0.560 11.654 1.00 1.00 H new ATOM 0 HB1 ALA A 19 30.742 0.475 9.791 1.00 1.00 H new ATOM 0 HB2 ALA A 19 30.916 -0.918 10.885 1.00 1.00 H new ATOM 0 HB3 ALA A 19 30.108 -1.117 9.312 1.00 1.00 H new ATOM 264 N GLU A 20 28.161 1.950 9.749 1.00 1.00 N ATOM 265 CA GLU A 20 27.378 2.747 8.812 1.00 1.00 C ATOM 266 C GLU A 20 27.807 2.466 7.373 1.00 1.00 C ATOM 267 O GLU A 20 26.981 2.441 6.462 1.00 1.00 O ATOM 268 CB GLU A 20 27.541 4.236 9.114 1.00 1.00 C ATOM 269 CG GLU A 20 26.876 4.548 10.458 1.00 1.00 C ATOM 270 CD GLU A 20 27.125 6.002 10.841 1.00 1.00 C ATOM 271 OE1 GLU A 20 27.809 6.684 10.093 1.00 1.00 O ATOM 272 OE2 GLU A 20 26.641 6.408 11.883 1.00 1.00 O ATOM 0 H GLU A 20 28.783 2.489 10.352 1.00 1.00 H new ATOM 0 HA GLU A 20 26.330 2.470 8.927 1.00 1.00 H new ATOM 0 HB2 GLU A 20 28.598 4.500 9.147 1.00 1.00 H new ATOM 0 HB3 GLU A 20 27.088 4.833 8.322 1.00 1.00 H new ATOM 0 HG2 GLU A 20 25.804 4.359 10.395 1.00 1.00 H new ATOM 0 HG3 GLU A 20 27.271 3.888 11.230 1.00 1.00 H new ATOM 279 N VAL A 21 29.106 2.259 7.181 1.00 1.00 N ATOM 280 CA VAL A 21 29.648 1.983 5.857 1.00 1.00 C ATOM 281 C VAL A 21 30.341 0.626 5.850 1.00 1.00 C ATOM 282 O VAL A 21 31.118 0.312 6.752 1.00 1.00 O ATOM 283 CB VAL A 21 30.641 3.073 5.467 1.00 1.00 C ATOM 284 CG1 VAL A 21 31.422 2.630 4.237 1.00 1.00 C ATOM 285 CG2 VAL A 21 29.884 4.361 5.154 1.00 1.00 C ATOM 0 H VAL A 21 29.802 2.277 7.926 1.00 1.00 H new ATOM 0 HA VAL A 21 28.831 1.968 5.135 1.00 1.00 H new ATOM 0 HB VAL A 21 31.332 3.249 6.292 1.00 1.00 H new ATOM 0 HG11 VAL A 21 32.132 3.408 3.957 1.00 1.00 H new ATOM 0 HG12 VAL A 21 31.962 1.710 4.461 1.00 1.00 H new ATOM 0 HG13 VAL A 21 30.732 2.455 3.412 1.00 1.00 H new ATOM 0 HG21 VAL A 21 30.593 5.141 4.875 1.00 1.00 H new ATOM 0 HG22 VAL A 21 29.194 4.186 4.329 1.00 1.00 H new ATOM 0 HG23 VAL A 21 29.324 4.677 6.034 1.00 1.00 H new ATOM 295 N GLU A 22 30.038 -0.182 4.838 1.00 1.00 N ATOM 296 CA GLU A 22 30.619 -1.518 4.733 1.00 1.00 C ATOM 297 C GLU A 22 32.131 -1.463 4.520 1.00 1.00 C ATOM 298 O GLU A 22 32.867 -2.249 5.115 1.00 1.00 O ATOM 299 CB GLU A 22 29.961 -2.275 3.576 1.00 1.00 C ATOM 300 CG GLU A 22 30.497 -3.708 3.513 1.00 1.00 C ATOM 301 CD GLU A 22 29.808 -4.468 2.387 1.00 1.00 C ATOM 302 OE1 GLU A 22 28.800 -3.985 1.902 1.00 1.00 O ATOM 303 OE2 GLU A 22 30.301 -5.524 2.025 1.00 1.00 O ATOM 0 H GLU A 22 29.397 0.062 4.083 1.00 1.00 H new ATOM 0 HA GLU A 22 30.434 -2.039 5.672 1.00 1.00 H new ATOM 0 HB2 GLU A 22 28.879 -2.289 3.708 1.00 1.00 H new ATOM 0 HB3 GLU A 22 30.161 -1.762 2.635 1.00 1.00 H new ATOM 0 HG2 GLU A 22 31.575 -3.696 3.350 1.00 1.00 H new ATOM 0 HG3 GLU A 22 30.324 -4.213 4.464 1.00 1.00 H new ATOM 310 N LEU A 23 32.591 -0.540 3.674 1.00 1.00 N ATOM 311 CA LEU A 23 34.027 -0.416 3.402 1.00 1.00 C ATOM 312 C LEU A 23 34.575 0.927 3.889 1.00 1.00 C ATOM 313 O LEU A 23 34.167 1.988 3.414 1.00 1.00 O ATOM 314 CB LEU A 23 34.279 -0.543 1.898 1.00 1.00 C ATOM 315 CG LEU A 23 33.769 -1.894 1.388 1.00 1.00 C ATOM 316 CD1 LEU A 23 33.979 -1.967 -0.125 1.00 1.00 C ATOM 317 CD2 LEU A 23 34.541 -3.033 2.065 1.00 1.00 C ATOM 0 H LEU A 23 32.002 0.124 3.171 1.00 1.00 H new ATOM 0 HA LEU A 23 34.539 -1.214 3.940 1.00 1.00 H new ATOM 0 HB2 LEU A 23 33.777 0.267 1.368 1.00 1.00 H new ATOM 0 HB3 LEU A 23 35.345 -0.447 1.691 1.00 1.00 H new ATOM 0 HG LEU A 23 32.709 -1.994 1.622 1.00 1.00 H new ATOM 0 HD11 LEU A 23 33.618 -2.926 -0.497 1.00 1.00 H new ATOM 0 HD12 LEU A 23 33.428 -1.160 -0.608 1.00 1.00 H new ATOM 0 HD13 LEU A 23 35.041 -1.867 -0.350 1.00 1.00 H new ATOM 0 HD21 LEU A 23 34.173 -3.991 1.697 1.00 1.00 H new ATOM 0 HD22 LEU A 23 35.602 -2.940 1.835 1.00 1.00 H new ATOM 0 HD23 LEU A 23 34.397 -2.979 3.144 1.00 1.00 H new ATOM 329 N SER A 24 35.532 0.867 4.809 1.00 1.00 N ATOM 330 CA SER A 24 36.157 2.073 5.335 1.00 1.00 C ATOM 331 C SER A 24 37.620 1.808 5.655 1.00 1.00 C ATOM 332 O SER A 24 38.501 2.109 4.851 1.00 1.00 O ATOM 333 CB SER A 24 35.425 2.532 6.596 1.00 1.00 C ATOM 334 OG SER A 24 34.203 3.158 6.223 1.00 1.00 O ATOM 0 H SER A 24 35.890 -0.002 5.204 1.00 1.00 H new ATOM 0 HA SER A 24 36.097 2.858 4.581 1.00 1.00 H new ATOM 0 HB2 SER A 24 35.228 1.681 7.247 1.00 1.00 H new ATOM 0 HB3 SER A 24 36.047 3.227 7.160 1.00 1.00 H new ATOM 0 HG SER A 24 34.051 3.032 5.263 1.00 1.00 H new ATOM 340 N ALA A 25 37.875 1.277 6.846 1.00 1.00 N ATOM 341 CA ALA A 25 39.246 1.002 7.277 1.00 1.00 C ATOM 342 C ALA A 25 40.035 0.212 6.222 1.00 1.00 C ATOM 343 O ALA A 25 41.154 0.591 5.877 1.00 1.00 O ATOM 344 CB ALA A 25 39.233 0.233 8.604 1.00 1.00 C ATOM 0 H ALA A 25 37.158 1.029 7.528 1.00 1.00 H new ATOM 0 HA ALA A 25 39.746 1.961 7.412 1.00 1.00 H new ATOM 0 HB1 ALA A 25 40.257 0.032 8.918 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.730 0.830 9.365 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.702 -0.710 8.473 1.00 1.00 H new ATOM 350 N PRO A 26 39.496 -0.867 5.711 1.00 1.00 N ATOM 351 CA PRO A 26 40.210 -1.696 4.688 1.00 1.00 C ATOM 352 C PRO A 26 40.665 -0.858 3.495 1.00 1.00 C ATOM 353 O PRO A 26 41.796 -0.984 3.031 1.00 1.00 O ATOM 354 CB PRO A 26 39.161 -2.721 4.252 1.00 1.00 C ATOM 355 CG PRO A 26 38.187 -2.799 5.383 1.00 1.00 C ATOM 356 CD PRO A 26 38.169 -1.417 6.036 1.00 1.00 C ATOM 0 HA PRO A 26 41.116 -2.149 5.090 1.00 1.00 H new ATOM 0 HB2 PRO A 26 38.669 -2.411 3.330 1.00 1.00 H new ATOM 0 HB3 PRO A 26 39.617 -3.692 4.059 1.00 1.00 H new ATOM 0 HG2 PRO A 26 37.195 -3.071 5.023 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.486 -3.563 6.100 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.368 -0.795 5.637 1.00 1.00 H new ATOM 0 HD3 PRO A 26 38.015 -1.484 7.113 1.00 1.00 H new ATOM 364 N VAL A 27 39.795 0.034 3.033 1.00 1.00 N ATOM 365 CA VAL A 27 40.141 0.919 1.925 1.00 1.00 C ATOM 366 C VAL A 27 41.234 1.887 2.364 1.00 1.00 C ATOM 367 O VAL A 27 42.181 2.151 1.624 1.00 1.00 O ATOM 368 CB VAL A 27 38.912 1.703 1.474 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.333 2.753 0.445 1.00 1.00 C ATOM 370 CG2 VAL A 27 37.901 0.743 0.848 1.00 1.00 C ATOM 0 H VAL A 27 38.854 0.163 3.404 1.00 1.00 H new ATOM 0 HA VAL A 27 40.502 0.317 1.091 1.00 1.00 H new ATOM 0 HB VAL A 27 38.456 2.199 2.331 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.458 3.315 0.120 1.00 1.00 H new ATOM 0 HG12 VAL A 27 40.056 3.434 0.895 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.786 2.259 -0.414 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.022 1.300 0.525 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.353 0.248 -0.012 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.606 -0.005 1.584 1.00 1.00 H new ATOM 380 N LEU A 28 41.077 2.420 3.565 1.00 1.00 N ATOM 381 CA LEU A 28 42.041 3.371 4.106 1.00 1.00 C ATOM 382 C LEU A 28 43.415 2.721 4.263 1.00 1.00 C ATOM 383 O LEU A 28 44.440 3.331 3.951 1.00 1.00 O ATOM 384 CB LEU A 28 41.559 3.891 5.465 1.00 1.00 C ATOM 385 CG LEU A 28 40.331 4.791 5.278 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.728 5.116 6.647 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.739 6.093 4.573 1.00 1.00 C ATOM 0 H LEU A 28 40.294 2.212 4.184 1.00 1.00 H new ATOM 0 HA LEU A 28 42.127 4.204 3.408 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.310 3.053 6.116 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.358 4.449 5.954 1.00 1.00 H new ATOM 0 HG LEU A 28 39.593 4.272 4.667 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.855 5.756 6.517 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.430 4.192 7.142 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.469 5.632 7.258 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.862 6.727 4.444 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.480 6.617 5.177 1.00 1.00 H new ATOM 0 HD23 LEU A 28 41.165 5.860 3.597 1.00 1.00 H new ATOM 399 N GLN A 29 43.434 1.480 4.741 1.00 1.00 N ATOM 400 CA GLN A 29 44.698 0.783 4.924 1.00 1.00 C ATOM 401 C GLN A 29 45.395 0.560 3.589 1.00 1.00 C ATOM 402 O GLN A 29 46.610 0.718 3.488 1.00 1.00 O ATOM 403 CB GLN A 29 44.457 -0.562 5.611 1.00 1.00 C ATOM 404 CG GLN A 29 44.037 -0.329 7.064 1.00 1.00 C ATOM 405 CD GLN A 29 43.728 -1.661 7.735 1.00 1.00 C ATOM 406 OE1 GLN A 29 42.822 -2.375 7.309 1.00 1.00 O ATOM 407 NE2 GLN A 29 44.425 -2.038 8.772 1.00 1.00 N ATOM 0 H GLN A 29 42.605 0.947 5.003 1.00 1.00 H new ATOM 0 HA GLN A 29 45.341 1.402 5.550 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.682 -1.118 5.083 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.363 -1.167 5.576 1.00 1.00 H new ATOM 0 HG2 GLN A 29 44.833 0.184 7.604 1.00 1.00 H new ATOM 0 HG3 GLN A 29 43.160 0.318 7.099 1.00 1.00 H new ATOM 0 HE21 GLN A 29 45.176 -1.445 9.124 1.00 1.00 H new ATOM 0 HE22 GLN A 29 44.218 -2.926 9.230 1.00 1.00 H new ATOM 416 N GLU A 30 44.630 0.199 2.565 1.00 1.00 N ATOM 417 CA GLU A 30 45.210 -0.031 1.249 1.00 1.00 C ATOM 418 C GLU A 30 45.739 1.281 0.675 1.00 1.00 C ATOM 419 O GLU A 30 46.829 1.316 0.107 1.00 1.00 O ATOM 420 CB GLU A 30 44.148 -0.628 0.321 1.00 1.00 C ATOM 421 CG GLU A 30 44.753 -0.967 -1.048 1.00 1.00 C ATOM 422 CD GLU A 30 45.716 -2.142 -0.924 1.00 1.00 C ATOM 423 OE1 GLU A 30 45.768 -2.737 0.144 1.00 1.00 O ATOM 424 OE2 GLU A 30 46.382 -2.435 -1.904 1.00 1.00 O ATOM 0 H GLU A 30 43.621 0.061 2.619 1.00 1.00 H new ATOM 0 HA GLU A 30 46.041 -0.731 1.336 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.728 -1.527 0.772 1.00 1.00 H new ATOM 0 HB3 GLU A 30 43.328 0.079 0.197 1.00 1.00 H new ATOM 0 HG2 GLU A 30 43.959 -1.212 -1.754 1.00 1.00 H new ATOM 0 HG3 GLU A 30 45.277 -0.099 -1.447 1.00 1.00 H new ATOM 431 N ILE A 31 44.994 2.362 0.851 1.00 1.00 N ATOM 432 CA ILE A 31 45.444 3.660 0.365 1.00 1.00 C ATOM 433 C ILE A 31 46.707 4.081 1.108 1.00 1.00 C ATOM 434 O ILE A 31 47.658 4.560 0.498 1.00 1.00 O ATOM 435 CB ILE A 31 44.346 4.704 0.573 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.173 4.375 -0.357 1.00 1.00 C ATOM 437 CG2 ILE A 31 44.888 6.097 0.240 1.00 1.00 C ATOM 438 CD1 ILE A 31 41.955 5.212 0.041 1.00 1.00 C ATOM 0 H ILE A 31 44.088 2.369 1.320 1.00 1.00 H new ATOM 0 HA ILE A 31 45.665 3.584 -0.700 1.00 1.00 H new ATOM 0 HB ILE A 31 44.015 4.691 1.611 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.447 4.581 -1.392 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.934 3.313 -0.296 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.103 6.838 0.389 1.00 1.00 H new ATOM 0 HG22 ILE A 31 45.731 6.325 0.892 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.216 6.121 -0.799 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.121 4.978 -0.620 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.677 4.984 1.070 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.198 6.271 -0.043 1.00 1.00 H new ATOM 450 N TYR A 32 46.721 3.893 2.425 1.00 1.00 N ATOM 451 CA TYR A 32 47.890 4.260 3.217 1.00 1.00 C ATOM 452 C TYR A 32 49.110 3.468 2.779 1.00 1.00 C ATOM 453 O TYR A 32 50.193 4.023 2.592 1.00 1.00 O ATOM 454 CB TYR A 32 47.617 3.997 4.699 1.00 1.00 C ATOM 455 CG TYR A 32 48.860 4.284 5.513 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.202 5.606 5.810 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.668 3.232 5.962 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.356 5.880 6.556 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.822 3.504 6.710 1.00 1.00 C ATOM 460 CZ TYR A 32 51.167 4.828 7.005 1.00 1.00 C ATOM 461 OH TYR A 32 52.306 5.096 7.732 1.00 1.00 O ATOM 0 H TYR A 32 45.949 3.495 2.959 1.00 1.00 H new ATOM 0 HA TYR A 32 48.088 5.321 3.063 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.794 4.624 5.043 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.309 2.961 4.842 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.577 6.416 5.465 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.402 2.211 5.732 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.621 6.902 6.785 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.444 2.693 7.058 1.00 1.00 H new ATOM 0 HH TYR A 32 52.751 4.254 7.965 1.00 1.00 H new ATOM 471 N LEU A 33 48.930 2.166 2.618 1.00 1.00 N ATOM 472 CA LEU A 33 50.031 1.302 2.204 1.00 1.00 C ATOM 473 C LEU A 33 50.532 1.698 0.820 1.00 1.00 C ATOM 474 O LEU A 33 51.740 1.757 0.578 1.00 1.00 O ATOM 475 CB LEU A 33 49.570 -0.157 2.185 1.00 1.00 C ATOM 476 CG LEU A 33 50.723 -1.078 1.747 1.00 1.00 C ATOM 477 CD1 LEU A 33 51.920 -0.944 2.700 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.237 -2.526 1.772 1.00 1.00 C ATOM 0 H LEU A 33 48.042 1.686 2.765 1.00 1.00 H new ATOM 0 HA LEU A 33 50.846 1.416 2.918 1.00 1.00 H new ATOM 0 HB2 LEU A 33 49.220 -0.448 3.176 1.00 1.00 H new ATOM 0 HB3 LEU A 33 48.727 -0.270 1.503 1.00 1.00 H new ATOM 0 HG LEU A 33 51.037 -0.792 0.743 1.00 1.00 H new ATOM 0 HD11 LEU A 33 52.723 -1.604 2.371 1.00 1.00 H new ATOM 0 HD12 LEU A 33 52.274 0.087 2.697 1.00 1.00 H new ATOM 0 HD13 LEU A 33 51.614 -1.220 3.709 1.00 1.00 H new ATOM 0 HD21 LEU A 33 51.047 -3.187 1.463 1.00 1.00 H new ATOM 0 HD22 LEU A 33 49.921 -2.786 2.782 1.00 1.00 H new ATOM 0 HD23 LEU A 33 49.396 -2.639 1.088 1.00 1.00 H new ATOM 490 N SER A 34 49.592 1.988 -0.074 1.00 1.00 N ATOM 491 CA SER A 34 49.950 2.398 -1.432 1.00 1.00 C ATOM 492 C SER A 34 50.650 3.755 -1.414 1.00 1.00 C ATOM 493 O SER A 34 51.593 3.991 -2.170 1.00 1.00 O ATOM 494 CB SER A 34 48.697 2.491 -2.310 1.00 1.00 C ATOM 495 OG SER A 34 47.790 3.432 -1.745 1.00 1.00 O ATOM 0 H SER A 34 48.590 1.948 0.111 1.00 1.00 H new ATOM 0 HA SER A 34 50.626 1.649 -1.843 1.00 1.00 H new ATOM 0 HB2 SER A 34 48.970 2.795 -3.321 1.00 1.00 H new ATOM 0 HB3 SER A 34 48.221 1.513 -2.388 1.00 1.00 H new ATOM 0 HG SER A 34 48.075 3.655 -0.834 1.00 1.00 H new ATOM 501 N GLY A 35 50.191 4.647 -0.548 1.00 1.00 N ATOM 502 CA GLY A 35 50.789 5.979 -0.453 1.00 1.00 C ATOM 503 C GLY A 35 52.236 5.894 0.031 1.00 1.00 C ATOM 504 O GLY A 35 53.108 6.622 -0.455 1.00 1.00 O ATOM 0 H GLY A 35 49.416 4.480 0.094 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.755 6.467 -1.427 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.207 6.595 0.233 1.00 1.00 H new ATOM 508 N LEU A 36 52.501 5.018 0.993 1.00 1.00 N ATOM 509 CA LEU A 36 53.853 4.875 1.527 1.00 1.00 C ATOM 510 C LEU A 36 54.826 4.436 0.432 1.00 1.00 C ATOM 511 O LEU A 36 55.951 4.931 0.365 1.00 1.00 O ATOM 512 CB LEU A 36 53.869 3.852 2.666 1.00 1.00 C ATOM 513 CG LEU A 36 55.295 3.704 3.234 1.00 1.00 C ATOM 514 CD1 LEU A 36 55.795 5.051 3.771 1.00 1.00 C ATOM 515 CD2 LEU A 36 55.284 2.675 4.372 1.00 1.00 C ATOM 0 H LEU A 36 51.807 4.402 1.416 1.00 1.00 H new ATOM 0 HA LEU A 36 54.169 5.846 1.909 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.187 4.167 3.456 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.513 2.888 2.303 1.00 1.00 H new ATOM 0 HG LEU A 36 55.961 3.370 2.438 1.00 1.00 H new ATOM 0 HD11 LEU A 36 56.803 4.933 4.169 1.00 1.00 H new ATOM 0 HD12 LEU A 36 55.808 5.783 2.963 1.00 1.00 H new ATOM 0 HD13 LEU A 36 55.130 5.396 4.563 1.00 1.00 H new ATOM 0 HD21 LEU A 36 56.291 2.568 4.776 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.611 3.012 5.160 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.942 1.713 3.990 1.00 1.00 H new ATOM 527 N ARG A 37 54.411 3.498 -0.410 1.00 1.00 N ATOM 528 CA ARG A 37 55.302 3.024 -1.476 1.00 1.00 C ATOM 529 C ARG A 37 55.617 4.170 -2.437 1.00 1.00 C ATOM 530 O ARG A 37 56.765 4.340 -2.864 1.00 1.00 O ATOM 531 CB ARG A 37 54.640 1.876 -2.241 1.00 1.00 C ATOM 532 CG ARG A 37 54.597 0.640 -1.344 1.00 1.00 C ATOM 533 CD ARG A 37 53.889 -0.492 -2.083 1.00 1.00 C ATOM 534 NE ARG A 37 52.475 -0.170 -2.247 1.00 1.00 N ATOM 535 CZ ARG A 37 51.651 -1.006 -2.870 1.00 1.00 C ATOM 536 NH1 ARG A 37 52.103 -2.135 -3.338 1.00 1.00 N ATOM 537 NH2 ARG A 37 50.393 -0.697 -3.014 1.00 1.00 N ATOM 0 H ARG A 37 53.491 3.057 -0.384 1.00 1.00 H new ATOM 0 HA ARG A 37 56.229 2.665 -1.028 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.631 2.157 -2.543 1.00 1.00 H new ATOM 0 HB3 ARG A 37 55.197 1.660 -3.153 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.608 0.337 -1.073 1.00 1.00 H new ATOM 0 HG3 ARG A 37 54.073 0.868 -0.416 1.00 1.00 H new ATOM 0 HD2 ARG A 37 54.351 -0.647 -3.058 1.00 1.00 H new ATOM 0 HD3 ARG A 37 53.997 -1.424 -1.528 1.00 1.00 H new ATOM 0 HE ARG A 37 52.114 0.710 -1.878 1.00 1.00 H new ATOM 0 HH11 ARG A 37 53.088 -2.376 -3.226 1.00 1.00 H new ATOM 0 HH12 ARG A 37 51.472 -2.778 -3.816 1.00 1.00 H new ATOM 0 HH21 ARG A 37 50.040 0.187 -2.648 1.00 1.00 H new ATOM 0 HH22 ARG A 37 49.762 -1.340 -3.492 1.00 1.00 H new ATOM 551 N SER A 38 54.603 4.977 -2.740 1.00 1.00 N ATOM 552 CA SER A 38 54.778 6.148 -3.616 1.00 1.00 C ATOM 553 C SER A 38 55.572 7.237 -2.888 1.00 1.00 C ATOM 554 O SER A 38 56.304 8.045 -3.492 1.00 1.00 O ATOM 555 CB SER A 38 53.421 6.712 -4.052 1.00 1.00 C ATOM 556 OG SER A 38 52.671 7.050 -2.894 1.00 1.00 O ATOM 0 H SER A 38 53.651 4.848 -2.396 1.00 1.00 H new ATOM 0 HA SER A 38 55.326 5.828 -4.502 1.00 1.00 H new ATOM 0 HB2 SER A 38 53.562 7.592 -4.680 1.00 1.00 H new ATOM 0 HB3 SER A 38 52.882 5.977 -4.650 1.00 1.00 H new ATOM 0 HG SER A 38 53.087 6.644 -2.105 1.00 1.00 H new ATOM 562 N TRP A 39 55.379 7.273 -1.584 1.00 1.00 N ATOM 563 CA TRP A 39 56.039 8.280 -0.747 1.00 1.00 C ATOM 564 C TRP A 39 57.551 8.149 -0.825 1.00 1.00 C ATOM 565 O TRP A 39 58.256 9.150 -0.830 1.00 1.00 O ATOM 566 CB TRP A 39 55.591 8.160 0.696 1.00 1.00 C ATOM 567 CG TRP A 39 56.200 9.256 1.509 1.00 1.00 C ATOM 568 CD1 TRP A 39 57.191 9.097 2.415 1.00 1.00 C ATOM 569 CD2 TRP A 39 55.865 10.679 1.511 1.00 1.00 C ATOM 570 NE1 TRP A 39 57.481 10.328 2.977 1.00 1.00 N ATOM 571 CE2 TRP A 39 56.692 11.331 2.456 1.00 1.00 C ATOM 572 CE3 TRP A 39 54.933 11.462 0.799 1.00 1.00 C ATOM 573 CZ2 TRP A 39 56.600 12.707 2.690 1.00 1.00 C ATOM 574 CZ3 TRP A 39 54.842 12.847 1.035 1.00 1.00 C ATOM 575 CH2 TRP A 39 55.671 13.468 1.978 1.00 1.00 C ATOM 0 H TRP A 39 54.777 6.626 -1.075 1.00 1.00 H new ATOM 0 HA TRP A 39 55.752 9.261 -1.127 1.00 1.00 H new ATOM 0 HB2 TRP A 39 54.504 8.213 0.754 1.00 1.00 H new ATOM 0 HB3 TRP A 39 55.885 7.190 1.098 1.00 1.00 H new ATOM 0 HD1 TRP A 39 57.676 8.164 2.660 1.00 1.00 H new ATOM 0 HE1 TRP A 39 58.194 10.475 3.692 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.286 10.997 0.070 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 57.244 13.178 3.418 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 54.125 13.437 0.483 1.00 1.00 H new ATOM 0 HH2 TRP A 39 55.592 14.531 2.153 1.00 1.00 H new ATOM 586 N LYS A 40 58.044 6.916 -0.894 1.00 1.00 N ATOM 587 CA LYS A 40 59.480 6.688 -0.959 1.00 1.00 C ATOM 588 C LYS A 40 60.068 7.384 -2.185 1.00 1.00 C ATOM 589 O LYS A 40 61.169 7.929 -2.101 1.00 1.00 O ATOM 590 CB LYS A 40 59.762 5.192 -1.041 1.00 1.00 C ATOM 591 CG LYS A 40 59.368 4.536 0.282 1.00 1.00 C ATOM 592 CD LYS A 40 59.621 3.034 0.190 1.00 1.00 C ATOM 593 CE LYS A 40 59.262 2.366 1.513 1.00 1.00 C ATOM 594 NZ LYS A 40 59.513 0.906 1.400 1.00 1.00 N ATOM 0 H LYS A 40 57.476 6.069 -0.906 1.00 1.00 H new ATOM 0 HA LYS A 40 59.942 7.097 -0.060 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.200 4.748 -1.863 1.00 1.00 H new ATOM 0 HB3 LYS A 40 60.818 5.019 -1.247 1.00 1.00 H new ATOM 0 HG2 LYS A 40 59.945 4.965 1.101 1.00 1.00 H new ATOM 0 HG3 LYS A 40 58.317 4.728 0.498 1.00 1.00 H new ATOM 0 HD2 LYS A 40 59.027 2.605 -0.617 1.00 1.00 H new ATOM 0 HD3 LYS A 40 60.668 2.847 -0.050 1.00 1.00 H new ATOM 0 HE2 LYS A 40 59.857 2.789 2.322 1.00 1.00 H new ATOM 0 HE3 LYS A 40 58.216 2.551 1.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 59.271 0.442 2.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 58.927 0.511 0.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 60.517 0.742 1.185 1.00 1.00 H new ATOM 608 N ARG A 41 59.373 7.396 -3.310 1.00 1.00 N ATOM 609 CA ARG A 41 59.941 8.078 -4.467 1.00 1.00 C ATOM 610 C ARG A 41 60.074 9.575 -4.164 1.00 1.00 C ATOM 611 O ARG A 41 61.104 10.207 -4.402 1.00 1.00 O ATOM 612 CB ARG A 41 59.043 7.858 -5.690 1.00 1.00 C ATOM 613 CG ARG A 41 59.691 8.493 -6.929 1.00 1.00 C ATOM 614 CD ARG A 41 58.772 8.337 -8.149 1.00 1.00 C ATOM 615 NE ARG A 41 58.630 6.931 -8.514 1.00 1.00 N ATOM 616 CZ ARG A 41 59.534 6.317 -9.275 1.00 1.00 C ATOM 617 NH1 ARG A 41 60.572 6.979 -9.731 1.00 1.00 N ATOM 618 NH2 ARG A 41 59.372 5.054 -9.573 1.00 1.00 N ATOM 0 H ARG A 41 58.459 6.965 -3.449 1.00 1.00 H new ATOM 0 HA ARG A 41 60.929 7.672 -4.682 1.00 1.00 H new ATOM 0 HB2 ARG A 41 58.890 6.791 -5.854 1.00 1.00 H new ATOM 0 HB3 ARG A 41 58.061 8.297 -5.516 1.00 1.00 H new ATOM 0 HG2 ARG A 41 59.886 9.549 -6.745 1.00 1.00 H new ATOM 0 HG3 ARG A 41 60.653 8.021 -7.127 1.00 1.00 H new ATOM 0 HD2 ARG A 41 57.792 8.761 -7.929 1.00 1.00 H new ATOM 0 HD3 ARG A 41 59.179 8.897 -8.991 1.00 1.00 H new ATOM 0 HE ARG A 41 57.821 6.408 -8.179 1.00 1.00 H new ATOM 0 HH11 ARG A 41 60.688 7.966 -9.503 1.00 1.00 H new ATOM 0 HH12 ARG A 41 61.263 6.506 -10.314 1.00 1.00 H new ATOM 0 HH21 ARG A 41 58.559 4.548 -9.223 1.00 1.00 H new ATOM 0 HH22 ARG A 41 60.059 4.575 -10.155 1.00 1.00 H new ATOM 632 N HIS A 42 58.991 10.094 -3.590 1.00 1.00 N ATOM 633 CA HIS A 42 58.903 11.508 -3.192 1.00 1.00 C ATOM 634 C HIS A 42 59.831 11.808 -2.012 1.00 1.00 C ATOM 635 O HIS A 42 60.368 12.908 -1.891 1.00 1.00 O ATOM 636 CB HIS A 42 57.465 11.859 -2.808 1.00 1.00 C ATOM 637 CG HIS A 42 56.609 11.890 -4.054 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.090 10.738 -4.630 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.185 12.929 -4.851 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.394 11.111 -5.724 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.423 12.435 -5.903 1.00 1.00 N ATOM 0 H HIS A 42 58.150 9.554 -3.386 1.00 1.00 H new ATOM 0 HA HIS A 42 59.214 12.114 -4.043 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.075 11.125 -2.103 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.436 12.827 -2.308 1.00 1.00 H new ATOM 0 HD1 HIS A 42 56.212 9.785 -4.289 1.00 1.00 H new ATOM 0 HD2 HIS A 42 56.411 13.972 -4.684 1.00 1.00 H new ATOM 0 HE1 HIS A 42 54.876 10.423 -6.376 1.00 1.00 H new ATOM 649 N LEU A 43 59.997 10.818 -1.145 1.00 1.00 N ATOM 650 CA LEU A 43 60.844 10.923 0.047 1.00 1.00 C ATOM 651 C LEU A 43 62.314 10.688 -0.295 1.00 1.00 C ATOM 652 O LEU A 43 63.187 10.815 0.565 1.00 1.00 O ATOM 653 CB LEU A 43 60.390 9.916 1.110 1.00 1.00 C ATOM 654 CG LEU A 43 60.862 10.351 2.511 1.00 1.00 C ATOM 655 CD1 LEU A 43 60.145 11.632 2.953 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.555 9.234 3.513 1.00 1.00 C ATOM 0 H LEU A 43 59.545 9.909 -1.246 1.00 1.00 H new ATOM 0 HA LEU A 43 60.743 11.934 0.441 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.303 9.832 1.097 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.789 8.929 0.877 1.00 1.00 H new ATOM 0 HG LEU A 43 61.934 10.545 2.474 1.00 1.00 H new ATOM 0 HD11 LEU A 43 60.494 11.920 3.945 1.00 1.00 H new ATOM 0 HD12 LEU A 43 60.361 12.432 2.245 1.00 1.00 H new ATOM 0 HD13 LEU A 43 59.070 11.455 2.984 1.00 1.00 H new ATOM 0 HD21 LEU A 43 60.887 9.535 4.507 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.482 9.046 3.530 1.00 1.00 H new ATOM 0 HD23 LEU A 43 61.078 8.325 3.216 1.00 1.00 H new ATOM 668 N SER A 44 62.589 10.278 -1.528 1.00 1.00 N ATOM 669 CA SER A 44 63.952 9.955 -1.936 1.00 1.00 C ATOM 670 C SER A 44 64.944 11.065 -1.591 1.00 1.00 C ATOM 671 O SER A 44 66.043 10.771 -1.128 1.00 1.00 O ATOM 672 CB SER A 44 63.994 9.689 -3.448 1.00 1.00 C ATOM 673 OG SER A 44 63.561 10.853 -4.147 1.00 1.00 O ATOM 0 H SER A 44 61.889 10.162 -2.261 1.00 1.00 H new ATOM 0 HA SER A 44 64.249 9.063 -1.384 1.00 1.00 H new ATOM 0 HB2 SER A 44 65.006 9.424 -3.753 1.00 1.00 H new ATOM 0 HB3 SER A 44 63.354 8.843 -3.697 1.00 1.00 H new ATOM 0 HG SER A 44 62.682 10.686 -4.547 1.00 1.00 H new ATOM 679 N ARG A 45 64.606 12.327 -1.834 1.00 1.00 N ATOM 680 CA ARG A 45 65.565 13.397 -1.552 1.00 1.00 C ATOM 681 C ARG A 45 65.945 13.423 -0.078 1.00 1.00 C ATOM 682 O ARG A 45 67.126 13.461 0.266 1.00 1.00 O ATOM 683 CB ARG A 45 64.964 14.744 -1.947 1.00 1.00 C ATOM 684 CG ARG A 45 64.897 14.836 -3.471 1.00 1.00 C ATOM 685 CD ARG A 45 64.274 16.173 -3.868 1.00 1.00 C ATOM 686 NE ARG A 45 62.879 16.226 -3.435 1.00 1.00 N ATOM 687 CZ ARG A 45 61.909 15.700 -4.172 1.00 1.00 C ATOM 688 NH1 ARG A 45 62.190 15.104 -5.297 1.00 1.00 N ATOM 689 NH2 ARG A 45 60.668 15.770 -3.768 1.00 1.00 N ATOM 0 H ARG A 45 63.709 12.631 -2.212 1.00 1.00 H new ATOM 0 HA ARG A 45 66.466 13.207 -2.135 1.00 1.00 H new ATOM 0 HB2 ARG A 45 63.967 14.850 -1.520 1.00 1.00 H new ATOM 0 HB3 ARG A 45 65.570 15.557 -1.548 1.00 1.00 H new ATOM 0 HG2 ARG A 45 65.896 14.747 -3.897 1.00 1.00 H new ATOM 0 HG3 ARG A 45 64.305 14.013 -3.871 1.00 1.00 H new ATOM 0 HD2 ARG A 45 64.834 16.992 -3.417 1.00 1.00 H new ATOM 0 HD3 ARG A 45 64.333 16.304 -4.949 1.00 1.00 H new ATOM 0 HE ARG A 45 62.647 16.676 -2.550 1.00 1.00 H new ATOM 0 HH11 ARG A 45 63.158 15.041 -5.613 1.00 1.00 H new ATOM 0 HH12 ARG A 45 61.442 14.701 -5.861 1.00 1.00 H new ATOM 0 HH21 ARG A 45 60.444 16.229 -2.885 1.00 1.00 H new ATOM 0 HH22 ARG A 45 59.923 15.365 -4.335 1.00 1.00 H new ATOM 703 N PHE A 46 64.944 13.404 0.791 1.00 1.00 N ATOM 704 CA PHE A 46 65.186 13.418 2.225 1.00 1.00 C ATOM 705 C PHE A 46 65.864 12.128 2.674 1.00 1.00 C ATOM 706 O PHE A 46 66.761 12.144 3.513 1.00 1.00 O ATOM 707 CB PHE A 46 63.865 13.583 2.979 1.00 1.00 C ATOM 708 CG PHE A 46 63.311 14.970 2.735 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.740 16.049 3.521 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.374 15.179 1.715 1.00 1.00 C ATOM 711 CE1 PHE A 46 63.234 17.332 3.290 1.00 1.00 C ATOM 712 CE2 PHE A 46 61.865 16.465 1.485 1.00 1.00 C ATOM 713 CZ PHE A 46 62.295 17.540 2.272 1.00 1.00 C ATOM 0 H PHE A 46 63.959 13.379 0.528 1.00 1.00 H new ATOM 0 HA PHE A 46 65.844 14.258 2.448 1.00 1.00 H new ATOM 0 HB2 PHE A 46 63.149 12.831 2.647 1.00 1.00 H new ATOM 0 HB3 PHE A 46 64.022 13.426 4.046 1.00 1.00 H new ATOM 0 HD1 PHE A 46 64.463 15.889 4.307 1.00 1.00 H new ATOM 0 HD2 PHE A 46 62.044 14.350 1.106 1.00 1.00 H new ATOM 0 HE1 PHE A 46 63.567 18.162 3.896 1.00 1.00 H new ATOM 0 HE2 PHE A 46 61.141 16.626 0.700 1.00 1.00 H new ATOM 0 HZ PHE A 46 61.902 18.530 2.094 1.00 1.00 H new ATOM 723 N TRP A 47 65.416 11.017 2.104 1.00 1.00 N ATOM 724 CA TRP A 47 65.963 9.705 2.439 1.00 1.00 C ATOM 725 C TRP A 47 67.448 9.602 2.090 1.00 1.00 C ATOM 726 O TRP A 47 68.248 9.051 2.854 1.00 1.00 O ATOM 727 CB TRP A 47 65.191 8.617 1.693 1.00 1.00 C ATOM 728 CG TRP A 47 65.693 7.274 2.114 1.00 1.00 C ATOM 729 CD1 TRP A 47 66.441 6.445 1.351 1.00 1.00 C ATOM 730 CD2 TRP A 47 65.502 6.596 3.386 1.00 1.00 C ATOM 731 NE1 TRP A 47 66.720 5.301 2.075 1.00 1.00 N ATOM 732 CE2 TRP A 47 66.162 5.347 3.335 1.00 1.00 C ATOM 733 CE3 TRP A 47 64.826 6.942 4.567 1.00 1.00 C ATOM 734 CZ2 TRP A 47 66.152 4.474 4.419 1.00 1.00 C ATOM 735 CZ3 TRP A 47 64.815 6.065 5.660 1.00 1.00 C ATOM 736 CH2 TRP A 47 65.475 4.835 5.586 1.00 1.00 C ATOM 0 H TRP A 47 64.673 10.997 1.405 1.00 1.00 H new ATOM 0 HA TRP A 47 65.859 9.569 3.515 1.00 1.00 H new ATOM 0 HB2 TRP A 47 64.125 8.702 1.905 1.00 1.00 H new ATOM 0 HB3 TRP A 47 65.313 8.742 0.617 1.00 1.00 H new ATOM 0 HD1 TRP A 47 66.767 6.644 0.341 1.00 1.00 H new ATOM 0 HE1 TRP A 47 67.271 4.519 1.721 1.00 1.00 H new ATOM 0 HE3 TRP A 47 64.312 7.889 4.633 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 66.664 3.525 4.358 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 64.294 6.341 6.565 1.00 1.00 H new ATOM 0 HH2 TRP A 47 65.461 4.163 6.432 1.00 1.00 H new ATOM 747 N ASN A 48 67.808 10.134 0.926 1.00 1.00 N ATOM 748 CA ASN A 48 69.196 10.101 0.477 1.00 1.00 C ATOM 749 C ASN A 48 70.087 10.895 1.429 1.00 1.00 C ATOM 750 O ASN A 48 71.201 10.474 1.751 1.00 1.00 O ATOM 751 CB ASN A 48 69.297 10.700 -0.927 1.00 1.00 C ATOM 752 CG ASN A 48 68.670 9.761 -1.956 1.00 1.00 C ATOM 753 OD1 ASN A 48 68.295 10.201 -3.038 1.00 1.00 O ATOM 754 ND2 ASN A 48 68.542 8.487 -1.688 1.00 1.00 N ATOM 0 H ASN A 48 67.163 10.590 0.281 1.00 1.00 H new ATOM 0 HA ASN A 48 69.531 9.064 0.462 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.793 11.666 -0.954 1.00 1.00 H new ATOM 0 HB3 ASN A 48 70.343 10.878 -1.178 1.00 1.00 H new ATOM 0 HD21 ASN A 48 68.130 7.859 -2.379 1.00 1.00 H new ATOM 0 HD22 ASN A 48 68.854 8.121 -0.788 1.00 1.00 H new ATOM 761 N ASP A 49 69.590 12.044 1.873 1.00 1.00 N ATOM 762 CA ASP A 49 70.350 12.885 2.784 1.00 1.00 C ATOM 763 C ASP A 49 70.049 12.511 4.233 1.00 1.00 C ATOM 764 O ASP A 49 68.937 12.720 4.717 1.00 1.00 O ATOM 765 CB ASP A 49 69.984 14.348 2.544 1.00 1.00 C ATOM 766 CG ASP A 49 70.815 15.244 3.447 1.00 1.00 C ATOM 767 OD1 ASP A 49 71.520 14.710 4.288 1.00 1.00 O ATOM 768 OD2 ASP A 49 70.733 16.450 3.287 1.00 1.00 O ATOM 0 H ASP A 49 68.673 12.410 1.619 1.00 1.00 H new ATOM 0 HA ASP A 49 71.414 12.736 2.600 1.00 1.00 H new ATOM 0 HB2 ASP A 49 70.157 14.609 1.500 1.00 1.00 H new ATOM 0 HB3 ASP A 49 68.923 14.503 2.740 1.00 1.00 H new ATOM 773 N PHE A 50 71.046 11.954 4.917 1.00 1.00 N ATOM 774 CA PHE A 50 70.871 11.550 6.309 1.00 1.00 C ATOM 775 C PHE A 50 71.390 12.629 7.251 1.00 1.00 C ATOM 776 O PHE A 50 70.591 13.169 7.998 1.00 1.00 O ATOM 777 CB PHE A 50 71.619 10.241 6.580 1.00 1.00 C ATOM 778 CG PHE A 50 71.470 9.878 8.041 1.00 1.00 C ATOM 779 CD1 PHE A 50 70.252 9.375 8.518 1.00 1.00 C ATOM 780 CD2 PHE A 50 72.547 10.046 8.920 1.00 1.00 C ATOM 781 CE1 PHE A 50 70.112 9.044 9.868 1.00 1.00 C ATOM 782 CE2 PHE A 50 72.407 9.711 10.273 1.00 1.00 C ATOM 783 CZ PHE A 50 71.190 9.211 10.748 1.00 1.00 C ATOM 784 OXT PHE A 50 72.578 12.896 7.218 1.00 1.00 O ATOM 0 H PHE A 50 71.974 11.774 4.534 1.00 1.00 H new ATOM 0 HA PHE A 50 69.806 11.404 6.487 1.00 1.00 H new ATOM 0 HB2 PHE A 50 71.221 9.444 5.952 1.00 1.00 H new ATOM 0 HB3 PHE A 50 72.673 10.351 6.326 1.00 1.00 H new ATOM 0 HD1 PHE A 50 69.421 9.243 7.841 1.00 1.00 H new ATOM 0 HD2 PHE A 50 73.486 10.434 8.555 1.00 1.00 H new ATOM 0 HE1 PHE A 50 69.172 8.659 10.234 1.00 1.00 H new ATOM 0 HE2 PHE A 50 73.239 9.839 10.950 1.00 1.00 H new ATOM 0 HZ PHE A 50 71.081 8.954 11.791 1.00 1.00 H new TER 794 PHE A 50