USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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+ -162:sc= -0.0206 (180deg=-0.372) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00084) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00444 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 180:sc=-0.00252 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 -15:sc= 0.445 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= -0.0438 (180deg=-0.57) USER MOD Single : A 42 HIS : no HE2:sc= 0.775 K(o=0.77,f=-3.9!) USER MOD Single : A 44 SER OG : rot 1:sc= 1.02 USER MOD Single : A 48 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.989 -30.155 -5.329 1.00 1.00 N ATOM 2 CA MET A 1 17.458 -28.848 -4.844 1.00 1.00 C ATOM 3 C MET A 1 18.583 -27.814 -4.824 1.00 1.00 C ATOM 4 O MET A 1 18.473 -26.749 -5.434 1.00 1.00 O ATOM 5 CB MET A 1 16.881 -29.021 -3.435 1.00 1.00 C ATOM 6 CG MET A 1 15.637 -29.911 -3.497 1.00 1.00 C ATOM 7 SD MET A 1 14.949 -30.108 -1.834 1.00 1.00 S ATOM 8 CE MET A 1 13.749 -31.401 -2.238 1.00 1.00 C ATOM 0 H1 MET A 1 17.199 -30.760 -5.632 1.00 1.00 H new ATOM 0 H2 MET A 1 18.629 -29.993 -6.133 1.00 1.00 H new ATOM 0 H3 MET A 1 18.510 -30.625 -4.561 1.00 1.00 H new ATOM 0 HA MET A 1 16.670 -28.504 -5.513 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.627 -29.467 -2.777 1.00 1.00 H new ATOM 0 HB3 MET A 1 16.625 -28.049 -3.014 1.00 1.00 H new ATOM 0 HG2 MET A 1 14.893 -29.468 -4.159 1.00 1.00 H new ATOM 0 HG3 MET A 1 15.895 -30.885 -3.913 1.00 1.00 H new ATOM 0 HE1 MET A 1 13.200 -31.681 -1.339 1.00 1.00 H new ATOM 0 HE2 MET A 1 13.051 -31.028 -2.988 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.272 -32.273 -2.630 1.00 1.00 H new ATOM 20 N ALA A 2 19.666 -28.133 -4.122 1.00 1.00 N ATOM 21 CA ALA A 2 20.803 -27.220 -4.031 1.00 1.00 C ATOM 22 C ALA A 2 21.485 -27.072 -5.388 1.00 1.00 C ATOM 23 O ALA A 2 21.589 -28.034 -6.144 1.00 1.00 O ATOM 24 CB ALA A 2 21.810 -27.743 -3.009 1.00 1.00 C ATOM 0 H ALA A 2 19.781 -29.009 -3.612 1.00 1.00 H new ATOM 0 HA ALA A 2 20.435 -26.244 -3.714 1.00 1.00 H new ATOM 0 HB1 ALA A 2 22.655 -27.057 -2.947 1.00 1.00 H new ATOM 0 HB2 ALA A 2 21.331 -27.819 -2.033 1.00 1.00 H new ATOM 0 HB3 ALA A 2 22.164 -28.727 -3.317 1.00 1.00 H new ATOM 30 N GLU A 3 21.947 -25.860 -5.688 1.00 1.00 N ATOM 31 CA GLU A 3 22.617 -25.603 -6.958 1.00 1.00 C ATOM 32 C GLU A 3 23.905 -24.813 -6.743 1.00 1.00 C ATOM 33 O GLU A 3 23.987 -23.977 -5.845 1.00 1.00 O ATOM 34 CB GLU A 3 21.685 -24.821 -7.884 1.00 1.00 C ATOM 35 CG GLU A 3 20.507 -25.710 -8.287 1.00 1.00 C ATOM 36 CD GLU A 3 19.530 -24.915 -9.144 1.00 1.00 C ATOM 37 OE1 GLU A 3 19.814 -23.761 -9.413 1.00 1.00 O ATOM 38 OE2 GLU A 3 18.514 -25.476 -9.524 1.00 1.00 O ATOM 0 H GLU A 3 21.870 -25.048 -5.075 1.00 1.00 H new ATOM 0 HA GLU A 3 22.870 -26.560 -7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 3 21.323 -23.924 -7.381 1.00 1.00 H new ATOM 0 HB3 GLU A 3 22.227 -24.492 -8.771 1.00 1.00 H new ATOM 0 HG2 GLU A 3 20.867 -26.578 -8.840 1.00 1.00 H new ATOM 0 HG3 GLU A 3 20.002 -26.086 -7.397 1.00 1.00 H new ATOM 45 N ALA A 4 24.909 -25.083 -7.572 1.00 1.00 N ATOM 46 CA ALA A 4 26.186 -24.389 -7.460 1.00 1.00 C ATOM 47 C ALA A 4 26.873 -24.736 -6.142 1.00 1.00 C ATOM 48 O ALA A 4 26.492 -24.237 -5.083 1.00 1.00 O ATOM 49 CB ALA A 4 25.965 -22.878 -7.538 1.00 1.00 C ATOM 0 H ALA A 4 24.863 -25.772 -8.323 1.00 1.00 H new ATOM 0 HA ALA A 4 26.825 -24.708 -8.284 1.00 1.00 H new ATOM 0 HB1 ALA A 4 26.923 -22.365 -7.454 1.00 1.00 H new ATOM 0 HB2 ALA A 4 25.502 -22.627 -8.492 1.00 1.00 H new ATOM 0 HB3 ALA A 4 25.312 -22.563 -6.724 1.00 1.00 H new ATOM 55 N HIS A 5 27.889 -25.593 -6.218 1.00 1.00 N ATOM 56 CA HIS A 5 28.628 -26.003 -5.028 1.00 1.00 C ATOM 57 C HIS A 5 29.388 -24.823 -4.436 1.00 1.00 C ATOM 58 O HIS A 5 29.444 -24.659 -3.217 1.00 1.00 O ATOM 59 CB HIS A 5 29.612 -27.119 -5.383 1.00 1.00 C ATOM 60 CG HIS A 5 28.852 -28.354 -5.778 1.00 1.00 C ATOM 61 ND1 HIS A 5 28.198 -29.149 -4.852 1.00 1.00 N ATOM 62 CD2 HIS A 5 28.628 -28.939 -6.998 1.00 1.00 C ATOM 63 CE1 HIS A 5 27.619 -30.159 -5.524 1.00 1.00 C ATOM 64 NE2 HIS A 5 27.849 -30.077 -6.836 1.00 1.00 N ATOM 0 H HIS A 5 28.217 -26.015 -7.087 1.00 1.00 H new ATOM 0 HA HIS A 5 27.915 -26.369 -4.289 1.00 1.00 H new ATOM 0 HB2 HIS A 5 30.259 -26.801 -6.200 1.00 1.00 H new ATOM 0 HB3 HIS A 5 30.257 -27.334 -4.531 1.00 1.00 H new ATOM 0 HD2 HIS A 5 29.001 -28.570 -7.942 1.00 1.00 H new ATOM 0 HE1 HIS A 5 27.038 -30.942 -5.059 1.00 1.00 H new ATOM 0 HE2 HIS A 5 27.523 -30.713 -7.563 1.00 1.00 H new ATOM 72 N GLN A 6 29.977 -24.008 -5.304 1.00 1.00 N ATOM 73 CA GLN A 6 30.736 -22.846 -4.855 1.00 1.00 C ATOM 74 C GLN A 6 29.802 -21.769 -4.311 1.00 1.00 C ATOM 75 O GLN A 6 28.778 -21.452 -4.917 1.00 1.00 O ATOM 76 CB GLN A 6 31.552 -22.279 -6.017 1.00 1.00 C ATOM 77 CG GLN A 6 32.644 -23.280 -6.405 1.00 1.00 C ATOM 78 CD GLN A 6 33.419 -22.768 -7.613 1.00 1.00 C ATOM 79 OE1 GLN A 6 32.854 -22.611 -8.697 1.00 1.00 O ATOM 80 NE2 GLN A 6 34.689 -22.499 -7.489 1.00 1.00 N ATOM 0 H GLN A 6 29.944 -24.129 -6.316 1.00 1.00 H new ATOM 0 HA GLN A 6 31.408 -23.160 -4.057 1.00 1.00 H new ATOM 0 HB2 GLN A 6 30.903 -22.083 -6.870 1.00 1.00 H new ATOM 0 HB3 GLN A 6 32.000 -21.327 -5.731 1.00 1.00 H new ATOM 0 HG2 GLN A 6 33.323 -23.433 -5.566 1.00 1.00 H new ATOM 0 HG3 GLN A 6 32.197 -24.247 -6.634 1.00 1.00 H new ATOM 0 HE21 GLN A 6 35.153 -22.630 -6.590 1.00 1.00 H new ATOM 0 HE22 GLN A 6 35.219 -22.157 -8.291 1.00 1.00 H new ATOM 89 N ALA A 7 30.165 -21.212 -3.163 1.00 1.00 N ATOM 90 CA ALA A 7 29.358 -20.171 -2.541 1.00 1.00 C ATOM 91 C ALA A 7 30.252 -19.128 -1.878 1.00 1.00 C ATOM 92 O ALA A 7 31.348 -19.441 -1.413 1.00 1.00 O ATOM 93 CB ALA A 7 28.421 -20.787 -1.499 1.00 1.00 C ATOM 0 H ALA A 7 31.008 -21.462 -2.646 1.00 1.00 H new ATOM 0 HA ALA A 7 28.765 -19.684 -3.315 1.00 1.00 H new ATOM 0 HB1 ALA A 7 27.822 -20.001 -1.039 1.00 1.00 H new ATOM 0 HB2 ALA A 7 27.763 -21.509 -1.983 1.00 1.00 H new ATOM 0 HB3 ALA A 7 29.010 -21.290 -0.732 1.00 1.00 H new ATOM 99 N VAL A 8 29.773 -17.887 -1.847 1.00 1.00 N ATOM 100 CA VAL A 8 30.527 -16.793 -1.248 1.00 1.00 C ATOM 101 C VAL A 8 29.731 -16.141 -0.121 1.00 1.00 C ATOM 102 O VAL A 8 28.561 -15.803 -0.292 1.00 1.00 O ATOM 103 CB VAL A 8 30.851 -15.754 -2.320 1.00 1.00 C ATOM 104 CG1 VAL A 8 31.345 -14.474 -1.653 1.00 1.00 C ATOM 105 CG2 VAL A 8 31.944 -16.298 -3.244 1.00 1.00 C ATOM 0 H VAL A 8 28.867 -17.616 -2.230 1.00 1.00 H new ATOM 0 HA VAL A 8 31.451 -17.192 -0.830 1.00 1.00 H new ATOM 0 HB VAL A 8 29.954 -15.541 -2.902 1.00 1.00 H new ATOM 0 HG11 VAL A 8 31.577 -13.732 -2.417 1.00 1.00 H new ATOM 0 HG12 VAL A 8 30.570 -14.085 -0.993 1.00 1.00 H new ATOM 0 HG13 VAL A 8 32.242 -14.689 -1.072 1.00 1.00 H new ATOM 0 HG21 VAL A 8 32.176 -15.557 -4.009 1.00 1.00 H new ATOM 0 HG22 VAL A 8 32.840 -16.510 -2.661 1.00 1.00 H new ATOM 0 HG23 VAL A 8 31.595 -17.214 -3.720 1.00 1.00 H new ATOM 115 N GLY A 9 30.373 -15.971 1.036 1.00 1.00 N ATOM 116 CA GLY A 9 29.709 -15.364 2.187 1.00 1.00 C ATOM 117 C GLY A 9 29.380 -13.891 1.941 1.00 1.00 C ATOM 118 O GLY A 9 28.272 -13.441 2.236 1.00 1.00 O ATOM 0 H GLY A 9 31.343 -16.243 1.199 1.00 1.00 H new ATOM 0 HA2 GLY A 9 28.791 -15.910 2.407 1.00 1.00 H new ATOM 0 HA3 GLY A 9 30.350 -15.452 3.064 1.00 1.00 H new ATOM 122 N PHE A 10 30.346 -13.144 1.405 1.00 1.00 N ATOM 123 CA PHE A 10 30.137 -11.722 1.133 1.00 1.00 C ATOM 124 C PHE A 10 30.598 -11.363 -0.275 1.00 1.00 C ATOM 125 O PHE A 10 31.572 -11.922 -0.784 1.00 1.00 O ATOM 126 CB PHE A 10 30.908 -10.882 2.149 1.00 1.00 C ATOM 127 CG PHE A 10 30.326 -11.103 3.525 1.00 1.00 C ATOM 128 CD1 PHE A 10 29.200 -10.378 3.930 1.00 1.00 C ATOM 129 CD2 PHE A 10 30.912 -12.033 4.394 1.00 1.00 C ATOM 130 CE1 PHE A 10 28.658 -10.582 5.205 1.00 1.00 C ATOM 131 CE2 PHE A 10 30.370 -12.237 5.670 1.00 1.00 C ATOM 132 CZ PHE A 10 29.244 -11.511 6.073 1.00 1.00 C ATOM 0 H PHE A 10 31.270 -13.495 1.153 1.00 1.00 H new ATOM 0 HA PHE A 10 29.070 -11.513 1.214 1.00 1.00 H new ATOM 0 HB2 PHE A 10 31.963 -11.157 2.139 1.00 1.00 H new ATOM 0 HB3 PHE A 10 30.851 -9.826 1.883 1.00 1.00 H new ATOM 0 HD1 PHE A 10 28.749 -9.661 3.260 1.00 1.00 H new ATOM 0 HD2 PHE A 10 31.781 -12.592 4.080 1.00 1.00 H new ATOM 0 HE1 PHE A 10 27.789 -10.023 5.518 1.00 1.00 H new ATOM 0 HE2 PHE A 10 30.821 -12.953 6.341 1.00 1.00 H new ATOM 0 HZ PHE A 10 28.826 -11.668 7.056 1.00 1.00 H new ATOM 142 N ARG A 11 29.902 -10.415 -0.896 1.00 1.00 N ATOM 143 CA ARG A 11 30.255 -9.985 -2.246 1.00 1.00 C ATOM 144 C ARG A 11 31.745 -9.661 -2.328 1.00 1.00 C ATOM 145 O ARG A 11 32.391 -9.424 -1.308 1.00 1.00 O ATOM 146 CB ARG A 11 29.435 -8.755 -2.647 1.00 1.00 C ATOM 147 CG ARG A 11 28.579 -8.295 -1.466 1.00 1.00 C ATOM 148 CD ARG A 11 27.880 -6.984 -1.827 1.00 1.00 C ATOM 149 NE ARG A 11 26.938 -7.196 -2.924 1.00 1.00 N ATOM 150 CZ ARG A 11 26.294 -6.176 -3.481 1.00 1.00 C ATOM 151 NH1 ARG A 11 26.499 -4.963 -3.048 1.00 1.00 N ATOM 152 NH2 ARG A 11 25.456 -6.387 -4.460 1.00 1.00 N ATOM 0 H ARG A 11 29.099 -9.934 -0.492 1.00 1.00 H new ATOM 0 HA ARG A 11 30.030 -10.800 -2.934 1.00 1.00 H new ATOM 0 HB2 ARG A 11 30.100 -7.950 -2.961 1.00 1.00 H new ATOM 0 HB3 ARG A 11 28.798 -8.993 -3.499 1.00 1.00 H new ATOM 0 HG2 ARG A 11 27.841 -9.058 -1.219 1.00 1.00 H new ATOM 0 HG3 ARG A 11 29.202 -8.157 -0.583 1.00 1.00 H new ATOM 0 HD2 ARG A 11 27.353 -6.594 -0.957 1.00 1.00 H new ATOM 0 HD3 ARG A 11 28.620 -6.237 -2.113 1.00 1.00 H new ATOM 0 HE ARG A 11 26.772 -8.142 -3.268 1.00 1.00 H new ATOM 0 HH11 ARG A 11 27.153 -4.798 -2.283 1.00 1.00 H new ATOM 0 HH12 ARG A 11 26.005 -4.179 -3.475 1.00 1.00 H new ATOM 0 HH21 ARG A 11 25.295 -7.336 -4.798 1.00 1.00 H new ATOM 0 HH22 ARG A 11 24.962 -5.603 -4.887 1.00 1.00 H new ATOM 166 N PRO A 12 32.297 -9.648 -3.513 1.00 1.00 N ATOM 167 CA PRO A 12 33.743 -9.351 -3.727 1.00 1.00 C ATOM 168 C PRO A 12 34.077 -7.883 -3.476 1.00 1.00 C ATOM 169 O PRO A 12 33.232 -7.005 -3.648 1.00 1.00 O ATOM 170 CB PRO A 12 33.965 -9.744 -5.186 1.00 1.00 C ATOM 171 CG PRO A 12 32.650 -9.502 -5.834 1.00 1.00 C ATOM 172 CD PRO A 12 31.606 -9.902 -4.792 1.00 1.00 C ATOM 0 HA PRO A 12 34.390 -9.891 -3.035 1.00 1.00 H new ATOM 0 HB2 PRO A 12 34.751 -9.144 -5.645 1.00 1.00 H new ATOM 0 HB3 PRO A 12 34.267 -10.788 -5.276 1.00 1.00 H new ATOM 0 HG2 PRO A 12 32.539 -8.456 -6.120 1.00 1.00 H new ATOM 0 HG3 PRO A 12 32.545 -10.094 -6.743 1.00 1.00 H new ATOM 0 HD2 PRO A 12 30.696 -9.308 -4.884 1.00 1.00 H new ATOM 0 HD3 PRO A 12 31.316 -10.948 -4.893 1.00 1.00 H new ATOM 180 N SER A 13 35.313 -7.628 -3.065 1.00 1.00 N ATOM 181 CA SER A 13 35.755 -6.265 -2.788 1.00 1.00 C ATOM 182 C SER A 13 36.039 -5.519 -4.088 1.00 1.00 C ATOM 183 O SER A 13 36.178 -6.133 -5.144 1.00 1.00 O ATOM 184 CB SER A 13 37.023 -6.293 -1.933 1.00 1.00 C ATOM 185 OG SER A 13 37.983 -7.150 -2.538 1.00 1.00 O ATOM 0 H SER A 13 36.025 -8.343 -2.916 1.00 1.00 H new ATOM 0 HA SER A 13 34.961 -5.748 -2.249 1.00 1.00 H new ATOM 0 HB2 SER A 13 37.430 -5.287 -1.833 1.00 1.00 H new ATOM 0 HB3 SER A 13 36.789 -6.643 -0.928 1.00 1.00 H new ATOM 0 HG SER A 13 38.796 -7.167 -1.992 1.00 1.00 H new ATOM 191 N LEU A 14 36.123 -4.193 -4.006 1.00 1.00 N ATOM 192 CA LEU A 14 36.390 -3.378 -5.187 1.00 1.00 C ATOM 193 C LEU A 14 37.817 -2.836 -5.150 1.00 1.00 C ATOM 194 O LEU A 14 38.242 -2.262 -4.149 1.00 1.00 O ATOM 195 CB LEU A 14 35.405 -2.204 -5.247 1.00 1.00 C ATOM 196 CG LEU A 14 33.967 -2.733 -5.288 1.00 1.00 C ATOM 197 CD1 LEU A 14 32.991 -1.556 -5.290 1.00 1.00 C ATOM 198 CD2 LEU A 14 33.756 -3.572 -6.555 1.00 1.00 C ATOM 0 H LEU A 14 36.011 -3.664 -3.141 1.00 1.00 H new ATOM 0 HA LEU A 14 36.268 -4.004 -6.071 1.00 1.00 H new ATOM 0 HB2 LEU A 14 35.540 -1.559 -4.378 1.00 1.00 H new ATOM 0 HB3 LEU A 14 35.604 -1.596 -6.129 1.00 1.00 H new ATOM 0 HG LEU A 14 33.789 -3.355 -4.411 1.00 1.00 H new ATOM 0 HD11 LEU A 14 31.968 -1.932 -5.319 1.00 1.00 H new ATOM 0 HD12 LEU A 14 33.134 -0.963 -4.387 1.00 1.00 H new ATOM 0 HD13 LEU A 14 33.174 -0.933 -6.166 1.00 1.00 H new ATOM 0 HD21 LEU A 14 32.732 -3.945 -6.578 1.00 1.00 H new ATOM 0 HD22 LEU A 14 33.937 -2.954 -7.435 1.00 1.00 H new ATOM 0 HD23 LEU A 14 34.449 -4.414 -6.554 1.00 1.00 H new ATOM 210 N THR A 15 38.549 -3.024 -6.248 1.00 1.00 N ATOM 211 CA THR A 15 39.931 -2.550 -6.332 1.00 1.00 C ATOM 212 C THR A 15 40.064 -1.453 -7.384 1.00 1.00 C ATOM 213 O THR A 15 41.168 -0.991 -7.673 1.00 1.00 O ATOM 214 CB THR A 15 40.863 -3.707 -6.689 1.00 1.00 C ATOM 215 OG1 THR A 15 40.520 -4.210 -7.973 1.00 1.00 O ATOM 216 CG2 THR A 15 40.721 -4.816 -5.648 1.00 1.00 C ATOM 0 H THR A 15 38.212 -3.498 -7.086 1.00 1.00 H new ATOM 0 HA THR A 15 40.209 -2.143 -5.360 1.00 1.00 H new ATOM 0 HB THR A 15 41.894 -3.355 -6.702 1.00 1.00 H new ATOM 0 HG1 THR A 15 41.118 -4.951 -8.204 1.00 1.00 H new ATOM 0 HG21 THR A 15 41.386 -5.641 -5.903 1.00 1.00 H new ATOM 0 HG22 THR A 15 40.985 -4.428 -4.664 1.00 1.00 H new ATOM 0 HG23 THR A 15 39.691 -5.171 -5.633 1.00 1.00 H new ATOM 224 N SER A 16 38.938 -1.046 -7.962 1.00 1.00 N ATOM 225 CA SER A 16 38.952 -0.009 -8.986 1.00 1.00 C ATOM 226 C SER A 16 39.214 1.360 -8.365 1.00 1.00 C ATOM 227 O SER A 16 39.001 1.565 -7.171 1.00 1.00 O ATOM 228 CB SER A 16 37.613 0.016 -9.721 1.00 1.00 C ATOM 229 OG SER A 16 36.679 0.772 -8.963 1.00 1.00 O ATOM 0 H SER A 16 38.013 -1.415 -7.741 1.00 1.00 H new ATOM 0 HA SER A 16 39.753 -0.235 -9.690 1.00 1.00 H new ATOM 0 HB2 SER A 16 37.736 0.455 -10.711 1.00 1.00 H new ATOM 0 HB3 SER A 16 37.245 -1.000 -9.866 1.00 1.00 H new ATOM 0 HG SER A 16 35.818 0.793 -9.431 1.00 1.00 H new ATOM 235 N ASP A 17 39.679 2.291 -9.187 1.00 1.00 N ATOM 236 CA ASP A 17 39.973 3.638 -8.717 1.00 1.00 C ATOM 237 C ASP A 17 38.694 4.459 -8.580 1.00 1.00 C ATOM 238 O ASP A 17 37.711 4.222 -9.285 1.00 1.00 O ATOM 239 CB ASP A 17 40.926 4.332 -9.692 1.00 1.00 C ATOM 240 CG ASP A 17 40.262 4.469 -11.059 1.00 1.00 C ATOM 241 OD1 ASP A 17 39.166 3.956 -11.218 1.00 1.00 O ATOM 242 OD2 ASP A 17 40.855 5.088 -11.925 1.00 1.00 O ATOM 0 H ASP A 17 39.860 2.139 -10.179 1.00 1.00 H new ATOM 0 HA ASP A 17 40.443 3.563 -7.736 1.00 1.00 H new ATOM 0 HB2 ASP A 17 41.198 5.316 -9.310 1.00 1.00 H new ATOM 0 HB3 ASP A 17 41.849 3.759 -9.782 1.00 1.00 H new ATOM 247 N GLY A 18 38.718 5.425 -7.669 1.00 1.00 N ATOM 248 CA GLY A 18 37.560 6.283 -7.445 1.00 1.00 C ATOM 249 C GLY A 18 36.713 5.773 -6.286 1.00 1.00 C ATOM 250 O GLY A 18 35.749 6.423 -5.879 1.00 1.00 O ATOM 0 H GLY A 18 39.522 5.633 -7.076 1.00 1.00 H new ATOM 0 HA2 GLY A 18 37.892 7.300 -7.236 1.00 1.00 H new ATOM 0 HA3 GLY A 18 36.955 6.325 -8.350 1.00 1.00 H new ATOM 254 N ALA A 19 37.078 4.610 -5.757 1.00 1.00 N ATOM 255 CA ALA A 19 36.341 4.027 -4.643 1.00 1.00 C ATOM 256 C ALA A 19 36.541 4.861 -3.385 1.00 1.00 C ATOM 257 O ALA A 19 37.637 5.358 -3.129 1.00 1.00 O ATOM 258 CB ALA A 19 36.819 2.599 -4.390 1.00 1.00 C ATOM 0 H ALA A 19 37.873 4.057 -6.078 1.00 1.00 H new ATOM 0 HA ALA A 19 35.281 4.013 -4.897 1.00 1.00 H new ATOM 0 HB1 ALA A 19 36.263 2.172 -3.556 1.00 1.00 H new ATOM 0 HB2 ALA A 19 36.654 1.996 -5.283 1.00 1.00 H new ATOM 0 HB3 ALA A 19 37.882 2.608 -4.150 1.00 1.00 H new ATOM 264 N GLU A 20 35.478 5.010 -2.603 1.00 1.00 N ATOM 265 CA GLU A 20 35.561 5.788 -1.375 1.00 1.00 C ATOM 266 C GLU A 20 34.329 5.544 -0.503 1.00 1.00 C ATOM 267 O GLU A 20 33.319 6.235 -0.638 1.00 1.00 O ATOM 268 CB GLU A 20 35.676 7.279 -1.723 1.00 1.00 C ATOM 269 CG GLU A 20 35.847 8.118 -0.447 1.00 1.00 C ATOM 270 CD GLU A 20 37.218 7.861 0.175 1.00 1.00 C ATOM 271 OE1 GLU A 20 38.015 7.186 -0.452 1.00 1.00 O ATOM 272 OE2 GLU A 20 37.451 8.346 1.270 1.00 1.00 O ATOM 0 H GLU A 20 34.560 4.608 -2.794 1.00 1.00 H new ATOM 0 HA GLU A 20 36.443 5.478 -0.815 1.00 1.00 H new ATOM 0 HB2 GLU A 20 36.525 7.439 -2.387 1.00 1.00 H new ATOM 0 HB3 GLU A 20 34.785 7.603 -2.261 1.00 1.00 H new ATOM 0 HG2 GLU A 20 35.739 9.177 -0.682 1.00 1.00 H new ATOM 0 HG3 GLU A 20 35.063 7.869 0.268 1.00 1.00 H new ATOM 279 N VAL A 21 34.426 4.563 0.396 1.00 1.00 N ATOM 280 CA VAL A 21 33.321 4.240 1.296 1.00 1.00 C ATOM 281 C VAL A 21 33.791 4.323 2.747 1.00 1.00 C ATOM 282 O VAL A 21 34.855 3.809 3.093 1.00 1.00 O ATOM 283 CB VAL A 21 32.793 2.834 0.999 1.00 1.00 C ATOM 284 CG1 VAL A 21 31.824 2.407 2.104 1.00 1.00 C ATOM 285 CG2 VAL A 21 32.063 2.836 -0.345 1.00 1.00 C ATOM 0 H VAL A 21 35.255 3.982 0.519 1.00 1.00 H new ATOM 0 HA VAL A 21 32.517 4.959 1.139 1.00 1.00 H new ATOM 0 HB VAL A 21 33.628 2.135 0.958 1.00 1.00 H new ATOM 0 HG11 VAL A 21 31.449 1.406 1.892 1.00 1.00 H new ATOM 0 HG12 VAL A 21 32.343 2.404 3.062 1.00 1.00 H new ATOM 0 HG13 VAL A 21 30.989 3.106 2.146 1.00 1.00 H new ATOM 0 HG21 VAL A 21 31.687 1.835 -0.556 1.00 1.00 H new ATOM 0 HG22 VAL A 21 31.228 3.536 -0.305 1.00 1.00 H new ATOM 0 HG23 VAL A 21 32.753 3.139 -1.133 1.00 1.00 H new ATOM 295 N GLU A 22 33.004 4.986 3.584 1.00 1.00 N ATOM 296 CA GLU A 22 33.357 5.152 4.992 1.00 1.00 C ATOM 297 C GLU A 22 33.367 3.813 5.727 1.00 1.00 C ATOM 298 O GLU A 22 34.204 3.586 6.604 1.00 1.00 O ATOM 299 CB GLU A 22 32.358 6.103 5.659 1.00 1.00 C ATOM 300 CG GLU A 22 32.774 6.358 7.111 1.00 1.00 C ATOM 301 CD GLU A 22 31.820 7.352 7.766 1.00 1.00 C ATOM 302 OE1 GLU A 22 31.075 7.994 7.045 1.00 1.00 O ATOM 303 OE2 GLU A 22 31.852 7.458 8.980 1.00 1.00 O ATOM 0 H GLU A 22 32.119 5.417 3.316 1.00 1.00 H new ATOM 0 HA GLU A 22 34.362 5.571 5.045 1.00 1.00 H new ATOM 0 HB2 GLU A 22 32.318 7.045 5.112 1.00 1.00 H new ATOM 0 HB3 GLU A 22 31.357 5.673 5.628 1.00 1.00 H new ATOM 0 HG2 GLU A 22 32.772 5.421 7.667 1.00 1.00 H new ATOM 0 HG3 GLU A 22 33.792 6.745 7.142 1.00 1.00 H new ATOM 310 N LEU A 23 32.430 2.939 5.382 1.00 1.00 N ATOM 311 CA LEU A 23 32.337 1.635 6.037 1.00 1.00 C ATOM 312 C LEU A 23 33.598 0.802 5.793 1.00 1.00 C ATOM 313 O LEU A 23 34.106 0.148 6.705 1.00 1.00 O ATOM 314 CB LEU A 23 31.107 0.880 5.508 1.00 1.00 C ATOM 315 CG LEU A 23 30.998 -0.504 6.161 1.00 1.00 C ATOM 316 CD1 LEU A 23 30.926 -0.359 7.682 1.00 1.00 C ATOM 317 CD2 LEU A 23 29.732 -1.206 5.661 1.00 1.00 C ATOM 0 H LEU A 23 31.729 3.104 4.660 1.00 1.00 H new ATOM 0 HA LEU A 23 32.239 1.797 7.110 1.00 1.00 H new ATOM 0 HB2 LEU A 23 30.205 1.456 5.713 1.00 1.00 H new ATOM 0 HB3 LEU A 23 31.178 0.772 4.426 1.00 1.00 H new ATOM 0 HG LEU A 23 31.876 -1.093 5.896 1.00 1.00 H new ATOM 0 HD11 LEU A 23 30.849 -1.346 8.138 1.00 1.00 H new ATOM 0 HD12 LEU A 23 31.826 0.138 8.043 1.00 1.00 H new ATOM 0 HD13 LEU A 23 30.052 0.234 7.950 1.00 1.00 H new ATOM 0 HD21 LEU A 23 29.654 -2.189 6.125 1.00 1.00 H new ATOM 0 HD22 LEU A 23 28.858 -0.610 5.924 1.00 1.00 H new ATOM 0 HD23 LEU A 23 29.782 -1.318 4.578 1.00 1.00 H new ATOM 329 N SER A 24 34.085 0.813 4.556 1.00 1.00 N ATOM 330 CA SER A 24 35.268 0.039 4.207 1.00 1.00 C ATOM 331 C SER A 24 36.504 0.572 4.924 1.00 1.00 C ATOM 332 O SER A 24 37.114 1.543 4.478 1.00 1.00 O ATOM 333 CB SER A 24 35.491 0.105 2.702 1.00 1.00 C ATOM 334 OG SER A 24 34.245 -0.075 2.047 1.00 1.00 O ATOM 0 H SER A 24 33.682 1.345 3.785 1.00 1.00 H new ATOM 0 HA SER A 24 35.107 -0.993 4.518 1.00 1.00 H new ATOM 0 HB2 SER A 24 35.927 1.065 2.427 1.00 1.00 H new ATOM 0 HB3 SER A 24 36.196 -0.666 2.391 1.00 1.00 H new ATOM 0 HG SER A 24 34.376 -0.033 1.077 1.00 1.00 H new ATOM 340 N ALA A 25 36.903 -0.103 5.995 1.00 1.00 N ATOM 341 CA ALA A 25 38.111 0.278 6.713 1.00 1.00 C ATOM 342 C ALA A 25 39.360 -0.089 5.894 1.00 1.00 C ATOM 343 O ALA A 25 40.322 0.679 5.831 1.00 1.00 O ATOM 344 CB ALA A 25 38.169 -0.413 8.075 1.00 1.00 C ATOM 0 H ALA A 25 36.413 -0.909 6.382 1.00 1.00 H new ATOM 0 HA ALA A 25 38.088 1.357 6.865 1.00 1.00 H new ATOM 0 HB1 ALA A 25 39.079 -0.115 8.596 1.00 1.00 H new ATOM 0 HB2 ALA A 25 37.301 -0.123 8.667 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.168 -1.494 7.935 1.00 1.00 H new ATOM 350 N PRO A 26 39.358 -1.271 5.294 1.00 1.00 N ATOM 351 CA PRO A 26 40.504 -1.803 4.477 1.00 1.00 C ATOM 352 C PRO A 26 40.881 -0.920 3.288 1.00 1.00 C ATOM 353 O PRO A 26 42.026 -0.933 2.844 1.00 1.00 O ATOM 354 CB PRO A 26 40.011 -3.172 3.990 1.00 1.00 C ATOM 355 CG PRO A 26 38.918 -3.554 4.924 1.00 1.00 C ATOM 356 CD PRO A 26 38.257 -2.249 5.341 1.00 1.00 C ATOM 0 HA PRO A 26 41.413 -1.846 5.077 1.00 1.00 H new ATOM 0 HB2 PRO A 26 39.649 -3.117 2.963 1.00 1.00 H new ATOM 0 HB3 PRO A 26 40.815 -3.907 4.005 1.00 1.00 H new ATOM 0 HG2 PRO A 26 38.202 -4.218 4.439 1.00 1.00 H new ATOM 0 HG3 PRO A 26 39.311 -4.088 5.789 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.448 -1.975 4.663 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.826 -2.319 6.340 1.00 1.00 H new ATOM 364 N VAL A 27 39.939 -0.148 2.773 1.00 1.00 N ATOM 365 CA VAL A 27 40.251 0.728 1.651 1.00 1.00 C ATOM 366 C VAL A 27 41.271 1.791 2.132 1.00 1.00 C ATOM 367 O VAL A 27 42.307 2.088 1.503 1.00 1.00 O ATOM 368 CB VAL A 27 38.966 1.415 1.165 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.322 2.505 0.153 1.00 1.00 C ATOM 370 CG2 VAL A 27 38.061 0.379 0.492 1.00 1.00 C ATOM 0 H VAL A 27 38.974 -0.107 3.102 1.00 1.00 H new ATOM 0 HA VAL A 27 40.674 0.154 0.827 1.00 1.00 H new ATOM 0 HB VAL A 27 38.448 1.860 2.015 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.410 2.993 -0.192 1.00 1.00 H new ATOM 0 HG12 VAL A 27 39.971 3.242 0.625 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.838 2.058 -0.697 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.148 0.864 0.146 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.582 -0.062 -0.358 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.808 -0.403 1.208 1.00 1.00 H new ATOM 380 N LEU A 28 40.970 2.372 3.313 1.00 1.00 N ATOM 381 CA LEU A 28 41.911 3.389 3.856 1.00 1.00 C ATOM 382 C LEU A 28 43.291 2.758 4.062 1.00 1.00 C ATOM 383 O LEU A 28 44.322 3.394 3.798 1.00 1.00 O ATOM 384 CB LEU A 28 41.411 3.977 5.186 1.00 1.00 C ATOM 385 CG LEU A 28 40.145 4.831 4.970 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.601 5.281 6.329 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.475 6.067 4.122 1.00 1.00 C ATOM 0 H LEU A 28 40.144 2.177 3.880 1.00 1.00 H new ATOM 0 HA LEU A 28 41.975 4.202 3.133 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.195 3.170 5.886 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.194 4.588 5.635 1.00 1.00 H new ATOM 0 HG LEU A 28 39.398 4.232 4.449 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.706 5.885 6.181 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.353 4.406 6.929 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.357 5.873 6.846 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.572 6.661 3.977 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.227 6.668 4.633 1.00 1.00 H new ATOM 0 HD23 LEU A 28 40.860 5.751 3.153 1.00 1.00 H new ATOM 399 N GLN A 29 43.310 1.522 4.559 1.00 1.00 N ATOM 400 CA GLN A 29 44.581 0.841 4.803 1.00 1.00 C ATOM 401 C GLN A 29 45.347 0.633 3.490 1.00 1.00 C ATOM 402 O GLN A 29 46.558 0.832 3.429 1.00 1.00 O ATOM 403 CB GLN A 29 44.346 -0.522 5.454 1.00 1.00 C ATOM 404 CG GLN A 29 43.810 -0.319 6.867 1.00 1.00 C ATOM 405 CD GLN A 29 43.466 -1.664 7.483 1.00 1.00 C ATOM 406 OE1 GLN A 29 43.688 -2.707 6.863 1.00 1.00 O ATOM 407 NE2 GLN A 29 42.922 -1.702 8.665 1.00 1.00 N ATOM 0 H GLN A 29 42.479 0.981 4.796 1.00 1.00 H new ATOM 0 HA GLN A 29 45.168 1.470 5.472 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.637 -1.103 4.864 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.276 -1.089 5.483 1.00 1.00 H new ATOM 0 HG2 GLN A 29 44.554 0.192 7.478 1.00 1.00 H new ATOM 0 HG3 GLN A 29 42.925 0.317 6.843 1.00 1.00 H new ATOM 0 HE21 GLN A 29 42.742 -0.835 9.171 1.00 1.00 H new ATOM 0 HE22 GLN A 29 42.676 -2.599 9.085 1.00 1.00 H new ATOM 416 N GLU A 30 44.629 0.253 2.437 1.00 1.00 N ATOM 417 CA GLU A 30 45.268 0.046 1.138 1.00 1.00 C ATOM 418 C GLU A 30 45.817 1.361 0.601 1.00 1.00 C ATOM 419 O GLU A 30 46.919 1.387 0.053 1.00 1.00 O ATOM 420 CB GLU A 30 44.268 -0.545 0.132 1.00 1.00 C ATOM 421 CG GLU A 30 43.921 -1.983 0.517 1.00 1.00 C ATOM 422 CD GLU A 30 42.862 -2.551 -0.427 1.00 1.00 C ATOM 423 OE1 GLU A 30 42.471 -1.849 -1.347 1.00 1.00 O ATOM 424 OE2 GLU A 30 42.454 -3.680 -0.214 1.00 1.00 O ATOM 0 H GLU A 30 43.623 0.084 2.453 1.00 1.00 H new ATOM 0 HA GLU A 30 46.091 -0.656 1.273 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.363 0.062 0.109 1.00 1.00 H new ATOM 0 HB3 GLU A 30 44.693 -0.522 -0.871 1.00 1.00 H new ATOM 0 HG2 GLU A 30 44.818 -2.602 0.481 1.00 1.00 H new ATOM 0 HG3 GLU A 30 43.555 -2.012 1.543 1.00 1.00 H new ATOM 431 N ILE A 31 45.076 2.452 0.770 1.00 1.00 N ATOM 432 CA ILE A 31 45.559 3.744 0.301 1.00 1.00 C ATOM 433 C ILE A 31 46.810 4.143 1.072 1.00 1.00 C ATOM 434 O ILE A 31 47.785 4.603 0.477 1.00 1.00 O ATOM 435 CB ILE A 31 44.478 4.817 0.471 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.329 4.524 -0.499 1.00 1.00 C ATOM 437 CG2 ILE A 31 45.070 6.197 0.162 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.126 5.392 -0.136 1.00 1.00 C ATOM 0 H ILE A 31 44.160 2.469 1.218 1.00 1.00 H new ATOM 0 HA ILE A 31 45.802 3.659 -0.758 1.00 1.00 H new ATOM 0 HB ILE A 31 44.108 4.808 1.496 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.642 4.727 -1.523 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.058 3.469 -0.452 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.300 6.959 0.283 1.00 1.00 H new ATOM 0 HG22 ILE A 31 45.893 6.401 0.846 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.438 6.214 -0.864 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.307 5.185 -0.825 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.809 5.167 0.882 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.402 6.444 -0.206 1.00 1.00 H new ATOM 450 N TYR A 32 46.789 3.950 2.384 1.00 1.00 N ATOM 451 CA TYR A 32 47.943 4.286 3.202 1.00 1.00 C ATOM 452 C TYR A 32 49.159 3.464 2.771 1.00 1.00 C ATOM 453 O TYR A 32 50.259 3.995 2.618 1.00 1.00 O ATOM 454 CB TYR A 32 47.630 4.004 4.669 1.00 1.00 C ATOM 455 CG TYR A 32 48.850 4.265 5.512 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.213 5.581 5.816 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.619 3.194 5.987 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.345 5.830 6.600 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.753 3.442 6.769 1.00 1.00 C ATOM 460 CZ TYR A 32 51.115 4.760 7.078 1.00 1.00 C ATOM 461 OH TYR A 32 52.235 5.004 7.852 1.00 1.00 O ATOM 0 H TYR A 32 45.996 3.567 2.898 1.00 1.00 H new ATOM 0 HA TYR A 32 48.169 5.344 3.072 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.806 4.635 5.002 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.309 2.969 4.789 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.620 6.404 5.446 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.337 2.179 5.750 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.625 6.846 6.837 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.349 2.618 7.134 1.00 1.00 H new ATOM 0 HH TYR A 32 52.653 4.153 8.101 1.00 1.00 H new ATOM 471 N LEU A 33 48.955 2.161 2.588 1.00 1.00 N ATOM 472 CA LEU A 33 50.048 1.282 2.183 1.00 1.00 C ATOM 473 C LEU A 33 50.578 1.673 0.806 1.00 1.00 C ATOM 474 O LEU A 33 51.788 1.687 0.576 1.00 1.00 O ATOM 475 CB LEU A 33 49.569 -0.175 2.154 1.00 1.00 C ATOM 476 CG LEU A 33 49.319 -0.661 3.586 1.00 1.00 C ATOM 477 CD1 LEU A 33 48.628 -2.026 3.545 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.647 -0.779 4.351 1.00 1.00 C ATOM 0 H LEU A 33 48.056 1.696 2.712 1.00 1.00 H new ATOM 0 HA LEU A 33 50.854 1.385 2.910 1.00 1.00 H new ATOM 0 HB2 LEU A 33 48.655 -0.256 1.566 1.00 1.00 H new ATOM 0 HB3 LEU A 33 50.316 -0.805 1.670 1.00 1.00 H new ATOM 0 HG LEU A 33 48.682 0.060 4.099 1.00 1.00 H new ATOM 0 HD11 LEU A 33 48.449 -2.374 4.562 1.00 1.00 H new ATOM 0 HD12 LEU A 33 47.677 -1.937 3.019 1.00 1.00 H new ATOM 0 HD13 LEU A 33 49.265 -2.741 3.024 1.00 1.00 H new ATOM 0 HD21 LEU A 33 50.453 -1.125 5.366 1.00 1.00 H new ATOM 0 HD22 LEU A 33 51.297 -1.491 3.843 1.00 1.00 H new ATOM 0 HD23 LEU A 33 51.134 0.195 4.387 1.00 1.00 H new ATOM 490 N SER A 34 49.666 1.992 -0.105 1.00 1.00 N ATOM 491 CA SER A 34 50.054 2.388 -1.456 1.00 1.00 C ATOM 492 C SER A 34 50.798 3.717 -1.433 1.00 1.00 C ATOM 493 O SER A 34 51.718 3.937 -2.223 1.00 1.00 O ATOM 494 CB SER A 34 48.813 2.515 -2.338 1.00 1.00 C ATOM 495 OG SER A 34 47.938 3.486 -1.783 1.00 1.00 O ATOM 0 H SER A 34 48.660 1.985 0.064 1.00 1.00 H new ATOM 0 HA SER A 34 50.714 1.622 -1.862 1.00 1.00 H new ATOM 0 HB2 SER A 34 49.100 2.803 -3.349 1.00 1.00 H new ATOM 0 HB3 SER A 34 48.306 1.553 -2.413 1.00 1.00 H new ATOM 0 HG SER A 34 48.200 3.672 -0.857 1.00 1.00 H new ATOM 501 N GLY A 35 50.396 4.603 -0.530 1.00 1.00 N ATOM 502 CA GLY A 35 51.039 5.906 -0.420 1.00 1.00 C ATOM 503 C GLY A 35 52.491 5.768 0.019 1.00 1.00 C ATOM 504 O GLY A 35 53.343 6.529 -0.428 1.00 1.00 O ATOM 0 H GLY A 35 49.635 4.445 0.131 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.994 6.419 -1.381 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.497 6.523 0.297 1.00 1.00 H new ATOM 508 N LEU A 36 52.784 4.810 0.892 1.00 1.00 N ATOM 509 CA LEU A 36 54.150 4.618 1.378 1.00 1.00 C ATOM 510 C LEU A 36 55.076 4.272 0.215 1.00 1.00 C ATOM 511 O LEU A 36 56.191 4.784 0.136 1.00 1.00 O ATOM 512 CB LEU A 36 54.180 3.491 2.413 1.00 1.00 C ATOM 513 CG LEU A 36 53.453 3.938 3.691 1.00 1.00 C ATOM 514 CD1 LEU A 36 53.290 2.743 4.635 1.00 1.00 C ATOM 515 CD2 LEU A 36 54.253 5.044 4.400 1.00 1.00 C ATOM 0 H LEU A 36 52.101 4.157 1.277 1.00 1.00 H new ATOM 0 HA LEU A 36 54.492 5.543 1.843 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.704 2.599 2.006 1.00 1.00 H new ATOM 0 HB3 LEU A 36 55.211 3.225 2.645 1.00 1.00 H new ATOM 0 HG LEU A 36 52.472 4.328 3.419 1.00 1.00 H new ATOM 0 HD11 LEU A 36 52.774 3.062 5.541 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.707 1.966 4.141 1.00 1.00 H new ATOM 0 HD13 LEU A 36 54.272 2.349 4.897 1.00 1.00 H new ATOM 0 HD21 LEU A 36 53.727 5.351 5.304 1.00 1.00 H new ATOM 0 HD22 LEU A 36 55.240 4.666 4.666 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.360 5.900 3.734 1.00 1.00 H new ATOM 527 N ARG A 37 54.613 3.428 -0.695 1.00 1.00 N ATOM 528 CA ARG A 37 55.436 3.070 -1.841 1.00 1.00 C ATOM 529 C ARG A 37 55.705 4.304 -2.701 1.00 1.00 C ATOM 530 O ARG A 37 56.821 4.505 -3.183 1.00 1.00 O ATOM 531 CB ARG A 37 54.741 1.996 -2.678 1.00 1.00 C ATOM 532 CG ARG A 37 54.737 0.670 -1.916 1.00 1.00 C ATOM 533 CD ARG A 37 53.952 -0.373 -2.709 1.00 1.00 C ATOM 534 NE ARG A 37 54.613 -0.645 -3.980 1.00 1.00 N ATOM 535 CZ ARG A 37 54.054 -1.441 -4.884 1.00 1.00 C ATOM 536 NH1 ARG A 37 52.904 -2.001 -4.633 1.00 1.00 N ATOM 537 NH2 ARG A 37 54.653 -1.658 -6.025 1.00 1.00 N ATOM 0 H ARG A 37 53.694 2.987 -0.666 1.00 1.00 H new ATOM 0 HA ARG A 37 56.385 2.675 -1.478 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.719 2.301 -2.902 1.00 1.00 H new ATOM 0 HB3 ARG A 37 55.254 1.876 -3.632 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.759 0.327 -1.757 1.00 1.00 H new ATOM 0 HG3 ARG A 37 54.289 0.806 -0.931 1.00 1.00 H new ATOM 0 HD2 ARG A 37 53.869 -1.293 -2.130 1.00 1.00 H new ATOM 0 HD3 ARG A 37 52.938 -0.016 -2.888 1.00 1.00 H new ATOM 0 HE ARG A 37 55.518 -0.218 -4.178 1.00 1.00 H new ATOM 0 HH11 ARG A 37 52.435 -1.827 -3.744 1.00 1.00 H new ATOM 0 HH12 ARG A 37 52.473 -2.613 -5.326 1.00 1.00 H new ATOM 0 HH21 ARG A 37 55.551 -1.216 -6.222 1.00 1.00 H new ATOM 0 HH22 ARG A 37 54.223 -2.270 -6.719 1.00 1.00 H new ATOM 551 N SER A 38 54.680 5.140 -2.853 1.00 1.00 N ATOM 552 CA SER A 38 54.796 6.383 -3.619 1.00 1.00 C ATOM 553 C SER A 38 55.658 7.418 -2.886 1.00 1.00 C ATOM 554 O SER A 38 56.410 8.171 -3.513 1.00 1.00 O ATOM 555 CB SER A 38 53.408 6.969 -3.872 1.00 1.00 C ATOM 556 OG SER A 38 52.731 6.167 -4.834 1.00 1.00 O ATOM 0 H SER A 38 53.755 4.980 -2.454 1.00 1.00 H new ATOM 0 HA SER A 38 55.279 6.145 -4.567 1.00 1.00 H new ATOM 0 HB2 SER A 38 52.839 7.002 -2.943 1.00 1.00 H new ATOM 0 HB3 SER A 38 53.493 7.995 -4.231 1.00 1.00 H new ATOM 0 HG SER A 38 51.839 6.537 -4.999 1.00 1.00 H new ATOM 562 N TRP A 39 55.535 7.463 -1.557 1.00 1.00 N ATOM 563 CA TRP A 39 56.303 8.423 -0.768 1.00 1.00 C ATOM 564 C TRP A 39 57.804 8.191 -0.869 1.00 1.00 C ATOM 565 O TRP A 39 58.574 9.140 -0.848 1.00 1.00 O ATOM 566 CB TRP A 39 55.890 8.411 0.713 1.00 1.00 C ATOM 567 CG TRP A 39 54.583 9.114 0.889 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.453 8.547 1.365 1.00 1.00 C ATOM 569 CD2 TRP A 39 54.249 10.508 0.599 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.448 9.494 1.379 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.887 10.718 0.916 1.00 1.00 C ATOM 572 CE3 TRP A 39 54.985 11.596 0.095 1.00 1.00 C ATOM 573 CZ2 TRP A 39 52.275 11.961 0.739 1.00 1.00 C ATOM 574 CZ3 TRP A 39 54.372 12.846 -0.084 1.00 1.00 C ATOM 575 CH2 TRP A 39 53.019 13.027 0.236 1.00 1.00 C ATOM 0 H TRP A 39 54.921 6.856 -1.014 1.00 1.00 H new ATOM 0 HA TRP A 39 56.074 9.400 -1.194 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.809 7.383 1.067 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.657 8.897 1.316 1.00 1.00 H new ATOM 0 HD1 TRP A 39 53.352 7.520 1.683 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.495 9.311 1.694 1.00 1.00 H new ATOM 0 HE3 TRP A 39 56.028 11.469 -0.156 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 51.233 12.095 0.990 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 54.947 13.674 -0.471 1.00 1.00 H new ATOM 0 HH2 TRP A 39 52.554 13.991 0.093 1.00 1.00 H new ATOM 586 N LYS A 40 58.229 6.939 -0.971 1.00 1.00 N ATOM 587 CA LYS A 40 59.657 6.660 -1.046 1.00 1.00 C ATOM 588 C LYS A 40 60.282 7.400 -2.229 1.00 1.00 C ATOM 589 O LYS A 40 61.347 8.000 -2.078 1.00 1.00 O ATOM 590 CB LYS A 40 59.883 5.157 -1.217 1.00 1.00 C ATOM 591 CG LYS A 40 61.380 4.857 -1.171 1.00 1.00 C ATOM 592 CD LYS A 40 61.604 3.351 -1.297 1.00 1.00 C ATOM 593 CE LYS A 40 63.104 3.051 -1.234 1.00 1.00 C ATOM 594 NZ LYS A 40 63.636 3.458 0.101 1.00 1.00 N ATOM 0 H LYS A 40 57.623 6.119 -1.003 1.00 1.00 H new ATOM 0 HA LYS A 40 60.126 7.000 -0.123 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.367 4.609 -0.428 1.00 1.00 H new ATOM 0 HB3 LYS A 40 59.463 4.821 -2.165 1.00 1.00 H new ATOM 0 HG2 LYS A 40 61.891 5.380 -1.979 1.00 1.00 H new ATOM 0 HG3 LYS A 40 61.806 5.221 -0.236 1.00 1.00 H new ATOM 0 HD2 LYS A 40 61.083 2.827 -0.495 1.00 1.00 H new ATOM 0 HD3 LYS A 40 61.189 2.988 -2.237 1.00 1.00 H new ATOM 0 HE2 LYS A 40 63.281 1.988 -1.399 1.00 1.00 H new ATOM 0 HE3 LYS A 40 63.627 3.588 -2.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 64.535 2.967 0.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 63.795 4.486 0.113 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 62.949 3.205 0.840 1.00 1.00 H new ATOM 608 N ARG A 41 59.654 7.376 -3.395 1.00 1.00 N ATOM 609 CA ARG A 41 60.238 8.074 -4.537 1.00 1.00 C ATOM 610 C ARG A 41 60.341 9.580 -4.262 1.00 1.00 C ATOM 611 O ARG A 41 61.356 10.225 -4.526 1.00 1.00 O ATOM 612 CB ARG A 41 59.386 7.828 -5.786 1.00 1.00 C ATOM 613 CG ARG A 41 60.055 8.481 -6.996 1.00 1.00 C ATOM 614 CD ARG A 41 59.242 8.183 -8.258 1.00 1.00 C ATOM 615 NE ARG A 41 57.933 8.822 -8.184 1.00 1.00 N ATOM 616 CZ ARG A 41 57.021 8.629 -9.128 1.00 1.00 C ATOM 617 NH1 ARG A 41 57.294 7.874 -10.156 1.00 1.00 N ATOM 618 NH2 ARG A 41 55.858 9.206 -9.036 1.00 1.00 N ATOM 0 H ARG A 41 58.771 6.899 -3.576 1.00 1.00 H new ATOM 0 HA ARG A 41 61.243 7.686 -4.702 1.00 1.00 H new ATOM 0 HB2 ARG A 41 59.270 6.757 -5.955 1.00 1.00 H new ATOM 0 HB3 ARG A 41 58.386 8.239 -5.644 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.129 9.558 -6.845 1.00 1.00 H new ATOM 0 HG3 ARG A 41 61.071 8.104 -7.109 1.00 1.00 H new ATOM 0 HD2 ARG A 41 59.779 8.541 -9.137 1.00 1.00 H new ATOM 0 HD3 ARG A 41 59.122 7.106 -8.374 1.00 1.00 H new ATOM 0 HE ARG A 41 57.715 9.428 -7.393 1.00 1.00 H new ATOM 0 HH11 ARG A 41 58.209 7.431 -10.235 1.00 1.00 H new ATOM 0 HH12 ARG A 41 56.592 7.726 -10.881 1.00 1.00 H new ATOM 0 HH21 ARG A 41 55.648 9.806 -8.238 1.00 1.00 H new ATOM 0 HH22 ARG A 41 55.156 9.058 -9.761 1.00 1.00 H new ATOM 632 N HIS A 42 59.247 10.098 -3.708 1.00 1.00 N ATOM 633 CA HIS A 42 59.130 11.517 -3.350 1.00 1.00 C ATOM 634 C HIS A 42 59.997 11.869 -2.137 1.00 1.00 C ATOM 635 O HIS A 42 60.532 12.972 -2.029 1.00 1.00 O ATOM 636 CB HIS A 42 57.669 11.847 -3.044 1.00 1.00 C ATOM 637 CG HIS A 42 56.871 11.805 -4.317 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.353 10.625 -4.821 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.483 12.791 -5.193 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.687 10.925 -5.949 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.732 12.230 -6.222 1.00 1.00 N ATOM 0 H HIS A 42 58.415 9.549 -3.493 1.00 1.00 H new ATOM 0 HA HIS A 42 59.481 12.107 -4.197 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.266 11.133 -2.325 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.595 12.834 -2.588 1.00 1.00 H new ATOM 0 HD1 HIS A 42 56.458 9.697 -4.411 1.00 1.00 H new ATOM 0 HD2 HIS A 42 56.724 13.839 -5.097 1.00 1.00 H new ATOM 0 HE1 HIS A 42 55.176 10.197 -6.561 1.00 1.00 H new ATOM 649 N LEU A 43 60.102 10.915 -1.223 1.00 1.00 N ATOM 650 CA LEU A 43 60.862 11.054 0.022 1.00 1.00 C ATOM 651 C LEU A 43 62.354 10.791 -0.219 1.00 1.00 C ATOM 652 O LEU A 43 63.178 10.954 0.676 1.00 1.00 O ATOM 653 CB LEU A 43 60.298 10.070 1.065 1.00 1.00 C ATOM 654 CG LEU A 43 60.905 10.301 2.461 1.00 1.00 C ATOM 655 CD1 LEU A 43 60.514 11.688 2.983 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.367 9.237 3.418 1.00 1.00 C ATOM 0 H LEU A 43 59.655 10.004 -1.323 1.00 1.00 H new ATOM 0 HA LEU A 43 60.763 12.074 0.394 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.215 10.179 1.118 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.500 9.048 0.746 1.00 1.00 H new ATOM 0 HG LEU A 43 61.991 10.237 2.396 1.00 1.00 H new ATOM 0 HD11 LEU A 43 60.949 11.841 3.971 1.00 1.00 H new ATOM 0 HD12 LEU A 43 60.887 12.452 2.301 1.00 1.00 H new ATOM 0 HD13 LEU A 43 59.428 11.759 3.049 1.00 1.00 H new ATOM 0 HD21 LEU A 43 60.791 9.392 4.410 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.281 9.312 3.472 1.00 1.00 H new ATOM 0 HD23 LEU A 43 60.645 8.247 3.055 1.00 1.00 H new ATOM 668 N SER A 44 62.694 10.334 -1.418 1.00 1.00 N ATOM 669 CA SER A 44 64.075 9.987 -1.749 1.00 1.00 C ATOM 670 C SER A 44 65.067 11.116 -1.449 1.00 1.00 C ATOM 671 O SER A 44 66.166 10.840 -0.968 1.00 1.00 O ATOM 672 CB SER A 44 64.167 9.626 -3.229 1.00 1.00 C ATOM 673 OG SER A 44 63.301 8.531 -3.498 1.00 1.00 O ATOM 0 H SER A 44 62.032 10.194 -2.181 1.00 1.00 H new ATOM 0 HA SER A 44 64.347 9.140 -1.120 1.00 1.00 H new ATOM 0 HB2 SER A 44 63.890 10.483 -3.843 1.00 1.00 H new ATOM 0 HB3 SER A 44 65.193 9.366 -3.489 1.00 1.00 H new ATOM 0 HG SER A 44 62.831 8.276 -2.677 1.00 1.00 H new ATOM 679 N ARG A 45 64.739 12.369 -1.762 1.00 1.00 N ATOM 680 CA ARG A 45 65.713 13.438 -1.535 1.00 1.00 C ATOM 681 C ARG A 45 66.125 13.521 -0.063 1.00 1.00 C ATOM 682 O ARG A 45 67.313 13.568 0.256 1.00 1.00 O ATOM 683 CB ARG A 45 65.129 14.780 -1.974 1.00 1.00 C ATOM 684 CG ARG A 45 65.046 14.818 -3.502 1.00 1.00 C ATOM 685 CD ARG A 45 64.424 16.142 -3.952 1.00 1.00 C ATOM 686 NE ARG A 45 64.337 16.194 -5.408 1.00 1.00 N ATOM 687 CZ ARG A 45 65.328 16.694 -6.145 1.00 1.00 C ATOM 688 NH1 ARG A 45 66.425 17.125 -5.574 1.00 1.00 N ATOM 689 NH2 ARG A 45 65.203 16.748 -7.443 1.00 1.00 N ATOM 0 H ARG A 45 63.846 12.663 -2.157 1.00 1.00 H new ATOM 0 HA ARG A 45 66.599 13.208 -2.126 1.00 1.00 H new ATOM 0 HB2 ARG A 45 64.138 14.918 -1.541 1.00 1.00 H new ATOM 0 HB3 ARG A 45 65.752 15.597 -1.611 1.00 1.00 H new ATOM 0 HG2 ARG A 45 66.041 14.708 -3.933 1.00 1.00 H new ATOM 0 HG3 ARG A 45 64.447 13.982 -3.864 1.00 1.00 H new ATOM 0 HD2 ARG A 45 63.430 16.250 -3.518 1.00 1.00 H new ATOM 0 HD3 ARG A 45 65.024 16.976 -3.587 1.00 1.00 H new ATOM 0 HE ARG A 45 63.500 15.840 -5.871 1.00 1.00 H new ATOM 0 HH11 ARG A 45 66.524 17.079 -4.560 1.00 1.00 H new ATOM 0 HH12 ARG A 45 67.180 17.507 -6.143 1.00 1.00 H new ATOM 0 HH21 ARG A 45 64.350 16.409 -7.888 1.00 1.00 H new ATOM 0 HH22 ARG A 45 65.958 17.130 -8.013 1.00 1.00 H new ATOM 703 N PHE A 46 65.143 13.538 0.824 1.00 1.00 N ATOM 704 CA PHE A 46 65.418 13.614 2.256 1.00 1.00 C ATOM 705 C PHE A 46 66.088 12.338 2.746 1.00 1.00 C ATOM 706 O PHE A 46 66.979 12.377 3.594 1.00 1.00 O ATOM 707 CB PHE A 46 64.124 13.834 3.030 1.00 1.00 C ATOM 708 CG PHE A 46 63.590 15.212 2.730 1.00 1.00 C ATOM 709 CD1 PHE A 46 64.062 16.313 3.454 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.623 15.391 1.731 1.00 1.00 C ATOM 711 CE1 PHE A 46 63.568 17.594 3.181 1.00 1.00 C ATOM 712 CE2 PHE A 46 62.130 16.671 1.457 1.00 1.00 C ATOM 713 CZ PHE A 46 62.601 17.773 2.181 1.00 1.00 C ATOM 0 H PHE A 46 64.153 13.501 0.583 1.00 1.00 H new ATOM 0 HA PHE A 46 66.091 14.454 2.426 1.00 1.00 H new ATOM 0 HB2 PHE A 46 63.389 13.079 2.753 1.00 1.00 H new ATOM 0 HB3 PHE A 46 64.304 13.727 4.100 1.00 1.00 H new ATOM 0 HD1 PHE A 46 64.807 16.174 4.223 1.00 1.00 H new ATOM 0 HD2 PHE A 46 62.259 14.541 1.173 1.00 1.00 H new ATOM 0 HE1 PHE A 46 63.931 18.444 3.740 1.00 1.00 H new ATOM 0 HE2 PHE A 46 61.386 16.809 0.687 1.00 1.00 H new ATOM 0 HZ PHE A 46 62.220 18.761 1.969 1.00 1.00 H new ATOM 723 N TRP A 47 65.645 11.208 2.207 1.00 1.00 N ATOM 724 CA TRP A 47 66.190 9.912 2.592 1.00 1.00 C ATOM 725 C TRP A 47 67.662 9.788 2.211 1.00 1.00 C ATOM 726 O TRP A 47 68.471 9.265 2.980 1.00 1.00 O ATOM 727 CB TRP A 47 65.396 8.792 1.922 1.00 1.00 C ATOM 728 CG TRP A 47 65.917 7.472 2.388 1.00 1.00 C ATOM 729 CD1 TRP A 47 65.515 6.835 3.510 1.00 1.00 C ATOM 730 CD2 TRP A 47 66.922 6.620 1.770 1.00 1.00 C ATOM 731 NE1 TRP A 47 66.204 5.644 3.620 1.00 1.00 N ATOM 732 CE2 TRP A 47 67.085 5.464 2.572 1.00 1.00 C ATOM 733 CE3 TRP A 47 67.699 6.733 0.602 1.00 1.00 C ATOM 734 CZ2 TRP A 47 67.989 4.456 2.227 1.00 1.00 C ATOM 735 CZ3 TRP A 47 68.607 5.721 0.253 1.00 1.00 C ATOM 736 CH2 TRP A 47 68.752 4.586 1.063 1.00 1.00 C ATOM 0 H TRP A 47 64.909 11.163 1.502 1.00 1.00 H new ATOM 0 HA TRP A 47 66.109 9.827 3.676 1.00 1.00 H new ATOM 0 HB2 TRP A 47 64.338 8.885 2.165 1.00 1.00 H new ATOM 0 HB3 TRP A 47 65.482 8.868 0.838 1.00 1.00 H new ATOM 0 HD1 TRP A 47 64.775 7.199 4.207 1.00 1.00 H new ATOM 0 HE1 TRP A 47 66.078 4.978 4.382 1.00 1.00 H new ATOM 0 HE3 TRP A 47 67.596 7.603 -0.029 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 68.097 3.584 2.854 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 69.198 5.817 -0.646 1.00 1.00 H new ATOM 0 HH2 TRP A 47 69.453 3.812 0.788 1.00 1.00 H new ATOM 747 N ASN A 48 67.999 10.275 1.018 1.00 1.00 N ATOM 748 CA ASN A 48 69.373 10.219 0.534 1.00 1.00 C ATOM 749 C ASN A 48 70.291 11.036 1.437 1.00 1.00 C ATOM 750 O ASN A 48 71.409 10.621 1.736 1.00 1.00 O ATOM 751 CB ASN A 48 69.451 10.768 -0.896 1.00 1.00 C ATOM 752 CG ASN A 48 68.952 9.733 -1.906 1.00 1.00 C ATOM 753 OD1 ASN A 48 68.408 10.100 -2.948 1.00 1.00 O ATOM 754 ND2 ASN A 48 69.122 8.460 -1.679 1.00 1.00 N ATOM 0 H ASN A 48 67.341 10.711 0.372 1.00 1.00 H new ATOM 0 HA ASN A 48 69.696 9.178 0.543 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.853 11.676 -0.974 1.00 1.00 H new ATOM 0 HB3 ASN A 48 70.480 11.043 -1.129 1.00 1.00 H new ATOM 0 HD21 ASN A 48 68.805 7.773 -2.363 1.00 1.00 H new ATOM 0 HD22 ASN A 48 69.572 8.151 -0.817 1.00 1.00 H new ATOM 761 N ASP A 49 69.814 12.200 1.865 1.00 1.00 N ATOM 762 CA ASP A 49 70.605 13.064 2.731 1.00 1.00 C ATOM 763 C ASP A 49 70.813 12.415 4.095 1.00 1.00 C ATOM 764 O ASP A 49 69.911 11.769 4.629 1.00 1.00 O ATOM 765 CB ASP A 49 69.902 14.409 2.907 1.00 1.00 C ATOM 766 CG ASP A 49 69.969 15.206 1.610 1.00 1.00 C ATOM 767 OD1 ASP A 49 70.754 14.837 0.750 1.00 1.00 O ATOM 768 OD2 ASP A 49 69.234 16.173 1.491 1.00 1.00 O ATOM 0 H ASP A 49 68.891 12.564 1.628 1.00 1.00 H new ATOM 0 HA ASP A 49 71.578 13.219 2.265 1.00 1.00 H new ATOM 0 HB2 ASP A 49 68.862 14.250 3.193 1.00 1.00 H new ATOM 0 HB3 ASP A 49 70.372 14.971 3.714 1.00 1.00 H new ATOM 773 N PHE A 50 72.007 12.593 4.650 1.00 1.00 N ATOM 774 CA PHE A 50 72.330 12.024 5.951 1.00 1.00 C ATOM 775 C PHE A 50 71.619 12.788 7.068 1.00 1.00 C ATOM 776 O PHE A 50 70.640 12.270 7.581 1.00 1.00 O ATOM 777 CB PHE A 50 73.844 12.068 6.178 1.00 1.00 C ATOM 778 CG PHE A 50 74.528 11.126 5.214 1.00 1.00 C ATOM 779 CD1 PHE A 50 74.686 9.777 5.545 1.00 1.00 C ATOM 780 CD2 PHE A 50 75.005 11.606 3.986 1.00 1.00 C ATOM 781 CE1 PHE A 50 75.320 8.905 4.653 1.00 1.00 C ATOM 782 CE2 PHE A 50 75.639 10.735 3.093 1.00 1.00 C ATOM 783 CZ PHE A 50 75.797 9.385 3.425 1.00 1.00 C ATOM 784 OXT PHE A 50 72.066 13.878 7.395 1.00 1.00 O ATOM 0 H PHE A 50 72.764 13.125 4.220 1.00 1.00 H new ATOM 0 HA PHE A 50 71.990 10.988 5.967 1.00 1.00 H new ATOM 0 HB2 PHE A 50 74.214 13.083 6.035 1.00 1.00 H new ATOM 0 HB3 PHE A 50 74.076 11.786 7.205 1.00 1.00 H new ATOM 0 HD1 PHE A 50 74.318 9.407 6.491 1.00 1.00 H new ATOM 0 HD2 PHE A 50 74.883 12.648 3.729 1.00 1.00 H new ATOM 0 HE1 PHE A 50 75.442 7.863 4.910 1.00 1.00 H new ATOM 0 HE2 PHE A 50 76.006 11.105 2.147 1.00 1.00 H new ATOM 0 HZ PHE A 50 76.286 8.713 2.736 1.00 1.00 H new TER 794 PHE A 50