USER MOD reduce.3.24.130724 H: found=0, std=0, add=283, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 281 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 6 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.775 K(o=-0.77,f=-5.3!) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00108) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.108) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 3 -0.718 2.453 -6.237 1.00 2.14 N ATOM 24 CA GLU A 3 -0.577 1.770 -7.517 1.00 42.23 C ATOM 25 C GLU A 3 0.134 2.660 -8.533 1.00 2.01 C ATOM 26 O GLU A 3 0.506 3.794 -8.229 1.00 73.20 O ATOM 27 CB GLU A 3 -1.949 1.359 -8.055 1.00 51.32 C ATOM 28 CG GLU A 3 -2.473 0.064 -7.459 1.00 75.21 C ATOM 29 CD GLU A 3 -1.725 -1.155 -7.963 1.00 75.13 C ATOM 30 OE1 GLU A 3 -0.903 -1.006 -8.891 1.00 2.54 O ATOM 31 OE2 GLU A 3 -1.963 -2.259 -7.430 1.00 13.04 O ATOM 0 HA GLU A 3 0.026 0.876 -7.358 1.00 42.23 H new ATOM 0 HB2 GLU A 3 -2.663 2.157 -7.853 1.00 51.32 H new ATOM 0 HB3 GLU A 3 -1.888 1.252 -9.138 1.00 51.32 H new ATOM 0 HG2 GLU A 3 -2.394 0.110 -6.373 1.00 75.21 H new ATOM 0 HG3 GLU A 3 -3.531 -0.039 -7.698 1.00 75.21 H new ATOM 38 N PHE A 4 0.321 2.137 -9.740 1.00 54.44 N ATOM 39 CA PHE A 4 0.988 2.883 -10.801 1.00 63.42 C ATOM 40 C PHE A 4 -0.002 3.284 -11.891 1.00 31.54 C ATOM 41 O PHE A 4 0.385 3.552 -13.028 1.00 10.41 O ATOM 42 CB PHE A 4 2.119 2.048 -11.406 1.00 72.33 C ATOM 43 CG PHE A 4 1.723 0.630 -11.706 1.00 10.12 C ATOM 44 CD1 PHE A 4 1.846 -0.356 -10.740 1.00 65.25 C ATOM 45 CD2 PHE A 4 1.227 0.284 -12.952 1.00 71.03 C ATOM 46 CE1 PHE A 4 1.484 -1.661 -11.014 1.00 33.51 C ATOM 47 CE2 PHE A 4 0.862 -1.020 -13.231 1.00 41.33 C ATOM 48 CZ PHE A 4 0.990 -1.993 -12.260 1.00 72.43 C ATOM 0 H PHE A 4 0.020 1.200 -10.008 1.00 54.44 H new ATOM 0 HA PHE A 4 1.407 3.790 -10.365 1.00 63.42 H new ATOM 0 HB2 PHE A 4 2.459 2.524 -12.326 1.00 72.33 H new ATOM 0 HB3 PHE A 4 2.964 2.043 -10.718 1.00 72.33 H new ATOM 0 HD1 PHE A 4 2.229 -0.102 -9.763 1.00 65.25 H new ATOM 0 HD2 PHE A 4 1.124 1.042 -13.715 1.00 71.03 H new ATOM 0 HE1 PHE A 4 1.587 -2.421 -10.254 1.00 33.51 H new ATOM 0 HE2 PHE A 4 0.477 -1.277 -14.207 1.00 41.33 H new ATOM 0 HZ PHE A 4 0.704 -3.012 -12.475 1.00 72.43 H new ATOM 58 N ARG A 5 -1.282 3.321 -11.534 1.00 22.31 N ATOM 59 CA ARG A 5 -2.329 3.687 -12.480 1.00 65.34 C ATOM 60 C ARG A 5 -2.692 5.162 -12.345 1.00 41.53 C ATOM 61 O ARG A 5 -3.854 5.510 -12.133 1.00 32.42 O ATOM 62 CB ARG A 5 -3.571 2.822 -12.259 1.00 10.10 C ATOM 63 CG ARG A 5 -3.343 1.345 -12.538 1.00 12.52 C ATOM 64 CD ARG A 5 -3.581 1.012 -14.002 1.00 44.04 C ATOM 65 NE ARG A 5 -3.464 -0.420 -14.264 1.00 23.14 N ATOM 66 CZ ARG A 5 -3.457 -0.947 -15.483 1.00 41.52 C ATOM 67 NH1 ARG A 5 -3.559 -0.163 -16.548 1.00 14.23 N ATOM 68 NH2 ARG A 5 -3.347 -2.260 -15.640 1.00 0.42 N ATOM 0 H ARG A 5 -1.619 3.102 -10.596 1.00 22.31 H new ATOM 0 HA ARG A 5 -1.950 3.515 -13.487 1.00 65.34 H new ATOM 0 HB2 ARG A 5 -3.907 2.941 -11.229 1.00 10.10 H new ATOM 0 HB3 ARG A 5 -4.374 3.184 -12.900 1.00 10.10 H new ATOM 0 HG2 ARG A 5 -2.323 1.075 -12.263 1.00 12.52 H new ATOM 0 HG3 ARG A 5 -4.010 0.749 -11.915 1.00 12.52 H new ATOM 0 HD2 ARG A 5 -4.574 1.354 -14.295 1.00 44.04 H new ATOM 0 HD3 ARG A 5 -2.863 1.553 -14.618 1.00 44.04 H new ATOM 0 HE ARG A 5 -3.383 -1.050 -13.466 1.00 23.14 H new ATOM 0 HH11 ARG A 5 -3.643 0.847 -16.432 1.00 14.23 H new ATOM 0 HH12 ARG A 5 -3.553 -0.570 -17.483 1.00 14.23 H new ATOM 0 HH21 ARG A 5 -3.268 -2.866 -14.824 1.00 0.42 H new ATOM 0 HH22 ARG A 5 -3.342 -2.663 -16.577 1.00 0.42 H new ATOM 82 N HIS A 6 -1.690 6.027 -12.470 1.00 0.24 N ATOM 83 CA HIS A 6 -1.904 7.466 -12.361 1.00 61.15 C ATOM 84 C HIS A 6 -2.561 8.014 -13.625 1.00 5.01 C ATOM 85 O HIS A 6 -3.394 8.918 -13.561 1.00 33.41 O ATOM 86 CB HIS A 6 -0.577 8.183 -12.110 1.00 60.32 C ATOM 87 CG HIS A 6 -0.738 9.609 -11.682 1.00 33.34 C ATOM 88 ND1 HIS A 6 -0.377 10.064 -10.431 1.00 44.34 N ATOM 89 CD2 HIS A 6 -1.224 10.683 -12.346 1.00 14.21 C ATOM 90 CE1 HIS A 6 -0.635 11.357 -10.345 1.00 22.04 C ATOM 91 NE2 HIS A 6 -1.149 11.757 -11.493 1.00 55.13 N ATOM 0 H HIS A 6 -0.722 5.757 -12.647 1.00 0.24 H new ATOM 0 HA HIS A 6 -2.571 7.647 -11.518 1.00 61.15 H new ATOM 0 HB2 HIS A 6 -0.021 7.643 -11.344 1.00 60.32 H new ATOM 0 HB3 HIS A 6 0.022 8.151 -13.020 1.00 60.32 H new ATOM 0 HD2 HIS A 6 -1.601 10.694 -13.358 1.00 14.21 H new ATOM 0 HE1 HIS A 6 -0.456 11.981 -9.482 1.00 22.04 H new ATOM 0 HE2 HIS A 6 -1.443 12.709 -11.711 1.00 55.13 H new ATOM 99 N ASP A 7 -2.178 7.462 -14.771 1.00 55.23 N ATOM 100 CA ASP A 7 -2.730 7.896 -16.050 1.00 32.52 C ATOM 101 C ASP A 7 -3.752 6.889 -16.570 1.00 1.13 C ATOM 102 O ASP A 7 -3.593 5.681 -16.394 1.00 40.23 O ATOM 103 CB ASP A 7 -1.611 8.081 -17.076 1.00 12.43 C ATOM 104 CG ASP A 7 -0.464 8.912 -16.537 1.00 4.45 C ATOM 105 OD1 ASP A 7 -0.677 10.112 -16.260 1.00 74.35 O ATOM 106 OD2 ASP A 7 0.648 8.363 -16.390 1.00 2.53 O ATOM 0 H ASP A 7 -1.488 6.714 -14.841 1.00 55.23 H new ATOM 0 HA ASP A 7 -3.233 8.851 -15.896 1.00 32.52 H new ATOM 0 HB2 ASP A 7 -1.236 7.104 -17.381 1.00 12.43 H new ATOM 0 HB3 ASP A 7 -2.015 8.560 -17.968 1.00 12.43 H new ATOM 111 N SER A 8 -4.801 7.396 -17.209 1.00 73.43 N ATOM 112 CA SER A 8 -5.852 6.541 -17.751 1.00 1.44 C ATOM 113 C SER A 8 -5.302 5.630 -18.843 1.00 62.14 C ATOM 114 O SER A 8 -4.166 5.791 -19.289 1.00 14.33 O ATOM 115 CB SER A 8 -6.994 7.393 -18.308 1.00 32.10 C ATOM 116 OG SER A 8 -8.179 6.628 -18.449 1.00 2.05 O ATOM 0 H SER A 8 -4.946 8.394 -17.364 1.00 73.43 H new ATOM 0 HA SER A 8 -6.234 5.918 -16.942 1.00 1.44 H new ATOM 0 HB2 SER A 8 -7.179 8.237 -17.644 1.00 32.10 H new ATOM 0 HB3 SER A 8 -6.706 7.805 -19.275 1.00 32.10 H new ATOM 0 HG SER A 8 -8.894 7.195 -18.805 1.00 2.05 H new ATOM 122 N GLY A 9 -6.117 4.670 -19.271 1.00 50.52 N ATOM 123 CA GLY A 9 -5.696 3.747 -20.308 1.00 24.40 C ATOM 124 C GLY A 9 -6.072 4.223 -21.697 1.00 1.01 C ATOM 125 O GLY A 9 -7.205 4.033 -22.140 1.00 65.55 O ATOM 0 H GLY A 9 -7.061 4.516 -18.918 1.00 50.52 H new ATOM 0 HA2 GLY A 9 -4.616 3.613 -20.254 1.00 24.40 H new ATOM 0 HA3 GLY A 9 -6.148 2.772 -20.127 1.00 24.40 H new ATOM 129 N TYR A 10 -5.121 4.846 -22.385 1.00 32.43 N ATOM 130 CA TYR A 10 -5.360 5.355 -23.730 1.00 61.40 C ATOM 131 C TYR A 10 -4.868 4.365 -24.782 1.00 43.41 C ATOM 132 O TYR A 10 -4.204 3.381 -24.460 1.00 61.45 O ATOM 133 CB TYR A 10 -4.665 6.704 -23.918 1.00 41.21 C ATOM 134 CG TYR A 10 -5.332 7.591 -24.945 1.00 70.22 C ATOM 135 CD1 TYR A 10 -6.652 7.996 -24.790 1.00 61.12 C ATOM 136 CD2 TYR A 10 -4.642 8.024 -26.071 1.00 4.35 C ATOM 137 CE1 TYR A 10 -7.265 8.805 -25.727 1.00 13.34 C ATOM 138 CE2 TYR A 10 -5.247 8.835 -27.011 1.00 44.14 C ATOM 139 CZ TYR A 10 -6.559 9.222 -26.835 1.00 44.42 C ATOM 140 OH TYR A 10 -7.166 10.030 -27.770 1.00 23.14 O ATOM 0 H TYR A 10 -4.178 5.010 -22.033 1.00 32.43 H new ATOM 0 HA TYR A 10 -6.435 5.487 -23.856 1.00 61.40 H new ATOM 0 HB2 TYR A 10 -4.639 7.226 -22.962 1.00 41.21 H new ATOM 0 HB3 TYR A 10 -3.631 6.532 -24.216 1.00 41.21 H new ATOM 0 HD1 TYR A 10 -7.208 7.673 -23.922 1.00 61.12 H new ATOM 0 HD2 TYR A 10 -3.615 7.721 -26.213 1.00 4.35 H new ATOM 0 HE1 TYR A 10 -8.292 9.109 -25.592 1.00 13.34 H new ATOM 0 HE2 TYR A 10 -4.696 9.164 -27.879 1.00 44.14 H new ATOM 0 HH TYR A 10 -6.531 10.234 -28.488 1.00 23.14 H new ATOM 150 N GLU A 11 -5.198 4.637 -26.041 1.00 34.12 N ATOM 151 CA GLU A 11 -4.790 3.771 -27.141 1.00 33.02 C ATOM 152 C GLU A 11 -3.338 4.032 -27.529 1.00 2.22 C ATOM 153 O GLU A 11 -2.685 3.187 -28.141 1.00 74.33 O ATOM 154 CB GLU A 11 -5.700 3.985 -28.352 1.00 41.44 C ATOM 155 CG GLU A 11 -5.808 5.439 -28.783 1.00 31.35 C ATOM 156 CD GLU A 11 -6.387 5.593 -30.175 1.00 52.24 C ATOM 157 OE1 GLU A 11 -5.740 5.138 -31.141 1.00 52.15 O ATOM 158 OE2 GLU A 11 -7.488 6.169 -30.299 1.00 14.52 O ATOM 0 H GLU A 11 -5.746 5.449 -26.324 1.00 34.12 H new ATOM 0 HA GLU A 11 -4.878 2.737 -26.808 1.00 33.02 H new ATOM 0 HB2 GLU A 11 -5.324 3.394 -29.187 1.00 41.44 H new ATOM 0 HB3 GLU A 11 -6.696 3.609 -28.118 1.00 41.44 H new ATOM 0 HG2 GLU A 11 -6.433 5.979 -28.072 1.00 31.35 H new ATOM 0 HG3 GLU A 11 -4.820 5.898 -28.752 1.00 31.35 H new ATOM 165 N VAL A 12 -2.838 5.210 -27.168 1.00 63.22 N ATOM 166 CA VAL A 12 -1.463 5.584 -27.477 1.00 63.44 C ATOM 167 C VAL A 12 -0.486 4.501 -27.033 1.00 3.01 C ATOM 168 O VAL A 12 -0.340 4.233 -25.840 1.00 32.32 O ATOM 169 CB VAL A 12 -1.078 6.915 -26.805 1.00 30.44 C ATOM 170 CG1 VAL A 12 -1.337 6.851 -25.307 1.00 73.31 C ATOM 171 CG2 VAL A 12 0.378 7.253 -27.088 1.00 53.20 C ATOM 0 H VAL A 12 -3.365 5.921 -26.661 1.00 63.22 H new ATOM 0 HA VAL A 12 -1.403 5.702 -28.559 1.00 63.44 H new ATOM 0 HB VAL A 12 -1.699 7.707 -27.224 1.00 30.44 H new ATOM 0 HG11 VAL A 12 -1.059 7.800 -24.849 1.00 73.31 H new ATOM 0 HG12 VAL A 12 -2.395 6.658 -25.129 1.00 73.31 H new ATOM 0 HG13 VAL A 12 -0.743 6.049 -24.869 1.00 73.31 H new ATOM 0 HG21 VAL A 12 0.633 8.197 -26.606 1.00 53.20 H new ATOM 0 HG22 VAL A 12 1.018 6.461 -26.698 1.00 53.20 H new ATOM 0 HG23 VAL A 12 0.528 7.343 -28.164 1.00 53.20 H new ATOM 181 N HIS A 13 0.183 3.882 -28.000 1.00 61.43 N ATOM 182 CA HIS A 13 1.149 2.828 -27.709 1.00 35.23 C ATOM 183 C HIS A 13 2.387 3.399 -27.024 1.00 54.45 C ATOM 184 O HIS A 13 3.118 2.682 -26.341 1.00 34.03 O ATOM 185 CB HIS A 13 1.550 2.105 -28.995 1.00 22.24 C ATOM 186 CG HIS A 13 0.590 1.030 -29.402 1.00 62.13 C ATOM 187 ND1 HIS A 13 0.960 -0.289 -29.559 1.00 71.24 N ATOM 188 CD2 HIS A 13 -0.733 1.084 -29.684 1.00 4.51 C ATOM 189 CE1 HIS A 13 -0.094 -0.999 -29.922 1.00 24.23 C ATOM 190 NE2 HIS A 13 -1.134 -0.189 -30.004 1.00 23.21 N ATOM 0 H HIS A 13 0.074 4.092 -28.992 1.00 61.43 H new ATOM 0 HA HIS A 13 0.678 2.115 -27.032 1.00 35.23 H new ATOM 0 HB2 HIS A 13 1.630 2.834 -29.802 1.00 22.24 H new ATOM 0 HB3 HIS A 13 2.539 1.666 -28.862 1.00 22.24 H new ATOM 0 HD2 HIS A 13 -1.357 1.965 -29.661 1.00 4.51 H new ATOM 0 HE1 HIS A 13 -0.103 -2.061 -30.118 1.00 24.23 H new ATOM 0 HE2 HIS A 13 -2.081 -0.465 -30.263 1.00 23.21 H new ATOM 198 N HIS A 14 2.617 4.695 -27.214 1.00 34.12 N ATOM 199 CA HIS A 14 3.767 5.363 -26.615 1.00 33.31 C ATOM 200 C HIS A 14 3.743 5.227 -25.095 1.00 50.43 C ATOM 201 O HIS A 14 4.783 5.293 -24.441 1.00 44.15 O ATOM 202 CB HIS A 14 3.786 6.840 -27.007 1.00 1.53 C ATOM 203 CG HIS A 14 5.030 7.557 -26.580 1.00 22.00 C ATOM 204 ND1 HIS A 14 5.073 8.915 -26.343 1.00 61.24 N ATOM 205 CD2 HIS A 14 6.281 7.096 -26.346 1.00 1.03 C ATOM 206 CE1 HIS A 14 6.297 9.258 -25.984 1.00 10.32 C ATOM 207 NE2 HIS A 14 7.049 8.173 -25.977 1.00 24.22 N ATOM 0 H HIS A 14 2.023 5.303 -27.778 1.00 34.12 H new ATOM 0 HA HIS A 14 4.671 4.884 -26.990 1.00 33.31 H new ATOM 0 HB2 HIS A 14 3.683 6.922 -28.089 1.00 1.53 H new ATOM 0 HB3 HIS A 14 2.921 7.336 -26.566 1.00 1.53 H new ATOM 0 HD2 HIS A 14 6.613 6.072 -26.433 1.00 1.03 H new ATOM 0 HE1 HIS A 14 6.627 10.257 -25.738 1.00 10.32 H new ATOM 0 HE2 HIS A 14 8.040 8.140 -25.737 1.00 24.22 H new ATOM 215 N GLN A 15 2.550 5.039 -24.541 1.00 54.14 N ATOM 216 CA GLN A 15 2.391 4.896 -23.099 1.00 5.31 C ATOM 217 C GLN A 15 2.842 3.515 -22.636 1.00 61.30 C ATOM 218 O GLN A 15 2.896 3.236 -21.438 1.00 15.31 O ATOM 219 CB GLN A 15 0.934 5.131 -22.699 1.00 11.03 C ATOM 220 CG GLN A 15 0.072 3.881 -22.779 1.00 1.22 C ATOM 221 CD GLN A 15 -1.411 4.191 -22.726 1.00 20.42 C ATOM 222 OE1 GLN A 15 -1.820 5.347 -22.830 1.00 43.54 O ATOM 223 NE2 GLN A 15 -2.226 3.155 -22.563 1.00 15.41 N ATOM 0 H GLN A 15 1.679 4.982 -25.069 1.00 54.14 H new ATOM 0 HA GLN A 15 3.018 5.644 -22.614 1.00 5.31 H new ATOM 0 HB2 GLN A 15 0.903 5.519 -21.681 1.00 11.03 H new ATOM 0 HB3 GLN A 15 0.508 5.898 -23.345 1.00 11.03 H new ATOM 0 HG2 GLN A 15 0.295 3.349 -23.704 1.00 1.22 H new ATOM 0 HG3 GLN A 15 0.329 3.213 -21.957 1.00 1.22 H new ATOM 0 HE21 GLN A 15 -1.843 2.213 -22.481 1.00 15.41 H new ATOM 0 HE22 GLN A 15 -3.235 3.301 -22.520 1.00 15.41 H new ATOM 232 N LYS A 16 3.165 2.652 -23.593 1.00 63.23 N ATOM 233 CA LYS A 16 3.612 1.299 -23.285 1.00 64.41 C ATOM 234 C LYS A 16 4.753 1.320 -22.273 1.00 21.13 C ATOM 235 O LYS A 16 4.969 0.350 -21.545 1.00 61.20 O ATOM 236 CB LYS A 16 4.063 0.585 -24.562 1.00 12.11 C ATOM 237 CG LYS A 16 4.499 -0.852 -24.334 1.00 53.00 C ATOM 238 CD LYS A 16 3.318 -1.745 -23.990 1.00 43.11 C ATOM 239 CE LYS A 16 3.738 -2.906 -23.101 1.00 51.42 C ATOM 240 NZ LYS A 16 4.685 -3.822 -23.795 1.00 51.42 N ATOM 0 H LYS A 16 3.125 2.866 -24.590 1.00 63.23 H new ATOM 0 HA LYS A 16 2.773 0.757 -22.850 1.00 64.41 H new ATOM 0 HB2 LYS A 16 3.246 0.598 -25.283 1.00 12.11 H new ATOM 0 HB3 LYS A 16 4.889 1.140 -25.006 1.00 12.11 H new ATOM 0 HG2 LYS A 16 4.993 -1.230 -25.229 1.00 53.00 H new ATOM 0 HG3 LYS A 16 5.231 -0.888 -23.527 1.00 53.00 H new ATOM 0 HD2 LYS A 16 2.551 -1.158 -23.485 1.00 43.11 H new ATOM 0 HD3 LYS A 16 2.872 -2.130 -24.907 1.00 43.11 H new ATOM 0 HE2 LYS A 16 4.205 -2.519 -22.195 1.00 51.42 H new ATOM 0 HE3 LYS A 16 2.855 -3.464 -22.791 1.00 51.42 H new ATOM 0 HZ1 LYS A 16 4.934 -4.609 -23.162 1.00 51.42 H new ATOM 0 HZ2 LYS A 16 4.237 -4.198 -24.655 1.00 51.42 H new ATOM 0 HZ3 LYS A 16 5.547 -3.300 -24.053 1.00 51.42 H new ATOM 254 N LEU A 17 5.479 2.431 -22.230 1.00 45.31 N ATOM 255 CA LEU A 17 6.598 2.580 -21.305 1.00 33.50 C ATOM 256 C LEU A 17 6.144 2.371 -19.864 1.00 34.51 C ATOM 257 O LEU A 17 6.952 2.077 -18.983 1.00 63.24 O ATOM 258 CB LEU A 17 7.231 3.964 -21.457 1.00 34.24 C ATOM 259 CG LEU A 17 7.990 4.491 -20.239 1.00 44.51 C ATOM 260 CD1 LEU A 17 9.138 5.389 -20.674 1.00 44.12 C ATOM 261 CD2 LEU A 17 7.049 5.240 -19.307 1.00 5.25 C ATOM 0 H LEU A 17 5.313 3.243 -22.825 1.00 45.31 H new ATOM 0 HA LEU A 17 7.341 1.820 -21.547 1.00 33.50 H new ATOM 0 HB2 LEU A 17 7.917 3.937 -22.304 1.00 34.24 H new ATOM 0 HB3 LEU A 17 6.444 4.676 -21.706 1.00 34.24 H new ATOM 0 HG LEU A 17 8.405 3.641 -19.697 1.00 44.51 H new ATOM 0 HD11 LEU A 17 9.667 5.755 -19.794 1.00 44.12 H new ATOM 0 HD12 LEU A 17 9.826 4.822 -21.301 1.00 44.12 H new ATOM 0 HD13 LEU A 17 8.745 6.234 -21.239 1.00 44.12 H new ATOM 0 HD21 LEU A 17 7.607 5.608 -18.446 1.00 5.25 H new ATOM 0 HD22 LEU A 17 6.605 6.082 -19.838 1.00 5.25 H new ATOM 0 HD23 LEU A 17 6.261 4.568 -18.969 1.00 5.25 H new ATOM 273 N VAL A 18 4.844 2.522 -19.630 1.00 52.05 N ATOM 274 CA VAL A 18 4.281 2.347 -18.297 1.00 31.30 C ATOM 275 C VAL A 18 4.627 0.974 -17.731 1.00 14.13 C ATOM 276 O VAL A 18 4.585 0.762 -16.519 1.00 3.24 O ATOM 277 CB VAL A 18 2.750 2.515 -18.307 1.00 71.14 C ATOM 278 CG1 VAL A 18 2.108 1.508 -19.250 1.00 24.02 C ATOM 279 CG2 VAL A 18 2.189 2.373 -16.900 1.00 42.14 C ATOM 0 H VAL A 18 4.161 2.765 -20.347 1.00 52.05 H new ATOM 0 HA VAL A 18 4.719 3.119 -17.665 1.00 31.30 H new ATOM 0 HB VAL A 18 2.514 3.516 -18.668 1.00 71.14 H new ATOM 0 HG11 VAL A 18 1.026 1.642 -19.244 1.00 24.02 H new ATOM 0 HG12 VAL A 18 2.487 1.663 -20.260 1.00 24.02 H new ATOM 0 HG13 VAL A 18 2.350 0.497 -18.922 1.00 24.02 H new ATOM 0 HG21 VAL A 18 1.106 2.495 -16.926 1.00 42.14 H new ATOM 0 HG22 VAL A 18 2.434 1.386 -16.509 1.00 42.14 H new ATOM 0 HG23 VAL A 18 2.624 3.137 -16.256 1.00 42.14 H new ATOM 289 N PHE A 19 4.968 0.044 -18.616 1.00 62.21 N ATOM 290 CA PHE A 19 5.321 -1.310 -18.205 1.00 22.01 C ATOM 291 C PHE A 19 6.353 -1.286 -17.081 1.00 15.54 C ATOM 292 O PHE A 19 6.392 -2.183 -16.239 1.00 74.41 O ATOM 293 CB PHE A 19 5.867 -2.102 -19.395 1.00 54.53 C ATOM 294 CG PHE A 19 7.317 -1.834 -19.679 1.00 51.45 C ATOM 295 CD1 PHE A 19 7.715 -0.633 -20.245 1.00 64.44 C ATOM 296 CD2 PHE A 19 8.282 -2.782 -19.381 1.00 73.41 C ATOM 297 CE1 PHE A 19 9.049 -0.383 -20.508 1.00 23.42 C ATOM 298 CE2 PHE A 19 9.617 -2.538 -19.641 1.00 11.11 C ATOM 299 CZ PHE A 19 10.001 -1.338 -20.206 1.00 41.50 C ATOM 0 H PHE A 19 5.008 0.203 -19.623 1.00 62.21 H new ATOM 0 HA PHE A 19 4.418 -1.797 -17.836 1.00 22.01 H new ATOM 0 HB2 PHE A 19 5.733 -3.167 -19.205 1.00 54.53 H new ATOM 0 HB3 PHE A 19 5.281 -1.861 -20.282 1.00 54.53 H new ATOM 0 HD1 PHE A 19 6.974 0.116 -20.483 1.00 64.44 H new ATOM 0 HD2 PHE A 19 7.987 -3.723 -18.940 1.00 73.41 H new ATOM 0 HE1 PHE A 19 9.347 0.557 -20.949 1.00 23.42 H new ATOM 0 HE2 PHE A 19 10.359 -3.285 -19.403 1.00 11.11 H new ATOM 0 HZ PHE A 19 11.044 -1.146 -20.412 1.00 41.50 H new ATOM 309 N PHE A 20 7.187 -0.251 -17.074 1.00 31.23 N ATOM 310 CA PHE A 20 8.220 -0.109 -16.055 1.00 22.35 C ATOM 311 C PHE A 20 7.627 -0.246 -14.655 1.00 55.45 C ATOM 312 O PHE A 20 8.298 -0.693 -13.726 1.00 15.42 O ATOM 313 CB PHE A 20 8.921 1.244 -16.194 1.00 23.53 C ATOM 314 CG PHE A 20 8.211 2.362 -15.487 1.00 1.34 C ATOM 315 CD1 PHE A 20 6.960 2.782 -15.908 1.00 51.32 C ATOM 316 CD2 PHE A 20 8.795 2.994 -14.401 1.00 1.34 C ATOM 317 CE1 PHE A 20 6.303 3.811 -15.259 1.00 45.34 C ATOM 318 CE2 PHE A 20 8.143 4.023 -13.748 1.00 4.43 C ATOM 319 CZ PHE A 20 6.897 4.433 -14.178 1.00 54.34 C ATOM 0 H PHE A 20 7.167 0.501 -17.762 1.00 31.23 H new ATOM 0 HA PHE A 20 8.950 -0.905 -16.200 1.00 22.35 H new ATOM 0 HB2 PHE A 20 9.934 1.161 -15.801 1.00 23.53 H new ATOM 0 HB3 PHE A 20 9.009 1.492 -17.252 1.00 23.53 H new ATOM 0 HD1 PHE A 20 6.492 2.300 -16.754 1.00 51.32 H new ATOM 0 HD2 PHE A 20 9.771 2.679 -14.061 1.00 1.34 H new ATOM 0 HE1 PHE A 20 5.327 4.128 -15.597 1.00 45.34 H new ATOM 0 HE2 PHE A 20 8.608 4.506 -12.902 1.00 4.43 H new ATOM 0 HZ PHE A 20 6.387 5.239 -13.670 1.00 54.34 H new ATOM 329 N ALA A 21 6.364 0.144 -14.515 1.00 33.24 N ATOM 330 CA ALA A 21 5.678 0.064 -13.231 1.00 5.14 C ATOM 331 C ALA A 21 4.908 -1.246 -13.099 1.00 45.45 C ATOM 332 O ALA A 21 4.655 -1.718 -11.992 1.00 61.41 O ATOM 333 CB ALA A 21 4.740 1.250 -13.059 1.00 23.44 C ATOM 0 H ALA A 21 5.795 0.518 -15.275 1.00 33.24 H new ATOM 0 HA ALA A 21 6.431 0.093 -12.443 1.00 5.14 H new ATOM 0 HB1 ALA A 21 4.234 1.177 -12.096 1.00 23.44 H new ATOM 0 HB2 ALA A 21 5.313 2.176 -13.099 1.00 23.44 H new ATOM 0 HB3 ALA A 21 3.999 1.247 -13.859 1.00 23.44 H new ATOM 339 N GLU A 22 4.539 -1.826 -14.237 1.00 13.20 N ATOM 340 CA GLU A 22 3.796 -3.081 -14.247 1.00 51.44 C ATOM 341 C GLU A 22 4.717 -4.261 -13.952 1.00 1.34 C ATOM 342 O GLU A 22 4.277 -5.295 -13.450 1.00 32.03 O ATOM 343 CB GLU A 22 3.110 -3.282 -15.600 1.00 51.43 C ATOM 344 CG GLU A 22 2.006 -4.326 -15.574 1.00 5.20 C ATOM 345 CD GLU A 22 2.508 -5.714 -15.922 1.00 3.22 C ATOM 346 OE1 GLU A 22 3.220 -5.849 -16.939 1.00 53.05 O ATOM 347 OE2 GLU A 22 2.190 -6.664 -15.177 1.00 71.34 O ATOM 0 H GLU A 22 4.742 -1.448 -15.162 1.00 13.20 H new ATOM 0 HA GLU A 22 3.037 -3.030 -13.466 1.00 51.44 H new ATOM 0 HB2 GLU A 22 2.692 -2.331 -15.930 1.00 51.43 H new ATOM 0 HB3 GLU A 22 3.858 -3.575 -16.337 1.00 51.43 H new ATOM 0 HG2 GLU A 22 1.553 -4.345 -14.583 1.00 5.20 H new ATOM 0 HG3 GLU A 22 1.224 -4.040 -16.277 1.00 5.20 H new ATOM 354 N ASP A 23 5.997 -4.098 -14.267 1.00 2.42 N ATOM 355 CA ASP A 23 6.982 -5.148 -14.035 1.00 34.21 C ATOM 356 C ASP A 23 7.823 -4.842 -12.800 1.00 11.32 C ATOM 357 O ASP A 23 9.024 -5.111 -12.771 1.00 73.41 O ATOM 358 CB ASP A 23 7.887 -5.307 -15.257 1.00 70.24 C ATOM 359 CG ASP A 23 8.454 -6.708 -15.380 1.00 34.01 C ATOM 360 OD1 ASP A 23 7.669 -7.676 -15.291 1.00 51.21 O ATOM 361 OD2 ASP A 23 9.682 -6.837 -15.565 1.00 54.45 O ATOM 0 H ASP A 23 6.377 -3.248 -14.684 1.00 2.42 H new ATOM 0 HA ASP A 23 6.447 -6.082 -13.865 1.00 34.21 H new ATOM 0 HB2 ASP A 23 7.322 -5.067 -16.158 1.00 70.24 H new ATOM 0 HB3 ASP A 23 8.706 -4.591 -15.194 1.00 70.24 H new ATOM 366 N VAL A 24 7.184 -4.275 -11.781 1.00 24.22 N ATOM 367 CA VAL A 24 7.874 -3.932 -10.543 1.00 14.43 C ATOM 368 C VAL A 24 8.069 -5.161 -9.663 1.00 35.22 C ATOM 369 O VAL A 24 9.016 -5.234 -8.881 1.00 74.30 O ATOM 370 CB VAL A 24 7.100 -2.863 -9.748 1.00 44.50 C ATOM 371 CG1 VAL A 24 7.124 -1.530 -10.482 1.00 73.50 C ATOM 372 CG2 VAL A 24 5.671 -3.317 -9.496 1.00 54.12 C ATOM 0 H VAL A 24 6.191 -4.044 -11.789 1.00 24.22 H new ATOM 0 HA VAL A 24 8.848 -3.532 -10.824 1.00 14.43 H new ATOM 0 HB VAL A 24 7.589 -2.728 -8.783 1.00 44.50 H new ATOM 0 HG11 VAL A 24 6.572 -0.787 -9.906 1.00 73.50 H new ATOM 0 HG12 VAL A 24 8.156 -1.201 -10.605 1.00 73.50 H new ATOM 0 HG13 VAL A 24 6.661 -1.646 -11.462 1.00 73.50 H new ATOM 0 HG21 VAL A 24 5.139 -2.550 -8.933 1.00 54.12 H new ATOM 0 HG22 VAL A 24 5.168 -3.482 -10.449 1.00 54.12 H new ATOM 0 HG23 VAL A 24 5.680 -4.245 -8.925 1.00 54.12 H new ATOM 382 N GLY A 25 7.165 -6.127 -9.796 1.00 73.35 N ATOM 383 CA GLY A 25 7.255 -7.342 -9.008 1.00 1.05 C ATOM 384 C GLY A 25 8.033 -8.435 -9.713 1.00 3.10 C ATOM 385 O GLY A 25 8.086 -8.474 -10.942 1.00 73.52 O ATOM 0 H GLY A 25 6.372 -6.089 -10.436 1.00 73.35 H new ATOM 0 HA2 GLY A 25 7.733 -7.118 -8.054 1.00 1.05 H new ATOM 0 HA3 GLY A 25 6.251 -7.702 -8.785 1.00 1.05 H new ATOM 389 N SER A 26 8.641 -9.324 -8.934 1.00 12.03 N ATOM 390 CA SER A 26 9.425 -10.420 -9.491 1.00 50.33 C ATOM 391 C SER A 26 8.560 -11.660 -9.690 1.00 72.44 C ATOM 392 O SER A 26 7.694 -11.964 -8.871 1.00 73.44 O ATOM 393 CB SER A 26 10.605 -10.749 -8.575 1.00 11.53 C ATOM 394 OG SER A 26 11.543 -11.584 -9.231 1.00 33.25 O ATOM 0 H SER A 26 8.606 -9.307 -7.915 1.00 12.03 H new ATOM 0 HA SER A 26 9.806 -10.104 -10.462 1.00 50.33 H new ATOM 0 HB2 SER A 26 11.093 -9.827 -8.260 1.00 11.53 H new ATOM 0 HB3 SER A 26 10.243 -11.242 -7.673 1.00 11.53 H new ATOM 0 HG SER A 26 12.288 -11.778 -8.625 1.00 33.25 H new ATOM 400 N ASN A 27 8.802 -12.373 -10.786 1.00 31.33 N ATOM 401 CA ASN A 27 8.045 -13.581 -11.094 1.00 61.23 C ATOM 402 C ASN A 27 8.799 -14.827 -10.639 1.00 44.12 C ATOM 403 O ASN A 27 9.881 -14.734 -10.059 1.00 64.01 O ATOM 404 CB ASN A 27 7.764 -13.662 -12.596 1.00 74.10 C ATOM 405 CG ASN A 27 6.753 -12.627 -13.051 1.00 44.24 C ATOM 406 OD1 ASN A 27 6.166 -11.916 -12.236 1.00 2.41 O ATOM 407 ND2 ASN A 27 6.546 -12.538 -14.360 1.00 64.01 N ATOM 0 H ASN A 27 9.516 -12.135 -11.475 1.00 31.33 H new ATOM 0 HA ASN A 27 7.099 -13.534 -10.555 1.00 61.23 H new ATOM 0 HB2 ASN A 27 8.695 -13.523 -13.145 1.00 74.10 H new ATOM 0 HB3 ASN A 27 7.396 -14.658 -12.841 1.00 74.10 H new ATOM 0 HD21 ASN A 27 5.878 -11.860 -14.726 1.00 64.01 H new ATOM 0 HD22 ASN A 27 7.055 -13.148 -15.000 1.00 64.01 H new ATOM 414 N LYS A 28 8.221 -15.993 -10.907 1.00 1.22 N ATOM 415 CA LYS A 28 8.838 -17.258 -10.527 1.00 72.34 C ATOM 416 C LYS A 28 9.361 -17.998 -11.754 1.00 44.25 C ATOM 417 O LYS A 28 10.566 -18.203 -11.901 1.00 14.42 O ATOM 418 CB LYS A 28 7.831 -18.136 -9.781 1.00 21.43 C ATOM 419 CG LYS A 28 7.075 -17.401 -8.688 1.00 3.51 C ATOM 420 CD LYS A 28 6.259 -18.356 -7.834 1.00 25.24 C ATOM 421 CE LYS A 28 6.075 -17.823 -6.421 1.00 41.53 C ATOM 422 NZ LYS A 28 5.464 -16.465 -6.417 1.00 15.22 N ATOM 0 H LYS A 28 7.326 -16.088 -11.386 1.00 1.22 H new ATOM 0 HA LYS A 28 9.679 -17.040 -9.869 1.00 72.34 H new ATOM 0 HB2 LYS A 28 7.115 -18.542 -10.496 1.00 21.43 H new ATOM 0 HB3 LYS A 28 8.357 -18.983 -9.341 1.00 21.43 H new ATOM 0 HG2 LYS A 28 7.781 -16.860 -8.057 1.00 3.51 H new ATOM 0 HG3 LYS A 28 6.415 -16.659 -9.137 1.00 3.51 H new ATOM 0 HD2 LYS A 28 5.284 -18.514 -8.294 1.00 25.24 H new ATOM 0 HD3 LYS A 28 6.755 -19.326 -7.796 1.00 25.24 H new ATOM 0 HE2 LYS A 28 5.444 -18.507 -5.854 1.00 41.53 H new ATOM 0 HE3 LYS A 28 7.041 -17.788 -5.917 1.00 41.53 H new ATOM 0 HZ1 LYS A 28 5.215 -16.199 -5.443 1.00 15.22 H new ATOM 0 HZ2 LYS A 28 6.144 -15.777 -6.800 1.00 15.22 H new ATOM 0 HZ3 LYS A 28 4.606 -16.469 -7.005 1.00 15.22 H new ATOM 436 N GLY A 29 8.448 -18.395 -12.635 1.00 71.31 N ATOM 437 CA GLY A 29 8.838 -19.106 -13.839 1.00 33.33 C ATOM 438 C GLY A 29 7.781 -19.034 -14.923 1.00 12.21 C ATOM 439 O GLY A 29 6.658 -19.502 -14.737 1.00 1.12 O ATOM 0 H GLY A 29 7.445 -18.237 -12.537 1.00 71.31 H new ATOM 0 HA2 GLY A 29 9.771 -18.689 -14.217 1.00 33.33 H new ATOM 0 HA3 GLY A 29 9.032 -20.150 -13.594 1.00 33.33 H new ATOM 443 N ALA A 30 8.140 -18.444 -16.058 1.00 53.24 N ATOM 444 CA ALA A 30 7.214 -18.312 -17.177 1.00 10.15 C ATOM 445 C ALA A 30 7.669 -19.148 -18.368 1.00 20.23 C ATOM 446 O ALA A 30 7.425 -18.789 -19.520 1.00 12.42 O ATOM 447 CB ALA A 30 7.075 -16.851 -17.577 1.00 43.43 C ATOM 0 H ALA A 30 9.065 -18.050 -16.227 1.00 53.24 H new ATOM 0 HA ALA A 30 6.241 -18.684 -16.857 1.00 10.15 H new ATOM 0 HB1 ALA A 30 6.381 -16.767 -18.413 1.00 43.43 H new ATOM 0 HB2 ALA A 30 6.696 -16.277 -16.732 1.00 43.43 H new ATOM 0 HB3 ALA A 30 8.049 -16.461 -17.873 1.00 43.43 H new ATOM 453 N ILE A 31 8.332 -20.264 -18.083 1.00 33.05 N ATOM 454 CA ILE A 31 8.820 -21.151 -19.131 1.00 42.10 C ATOM 455 C ILE A 31 7.680 -21.625 -20.025 1.00 72.14 C ATOM 456 O ILE A 31 7.890 -21.959 -21.192 1.00 1.31 O ATOM 457 CB ILE A 31 9.539 -22.378 -18.541 1.00 31.45 C ATOM 458 CG1 ILE A 31 8.679 -23.026 -17.453 1.00 3.53 C ATOM 459 CG2 ILE A 31 10.897 -21.979 -17.983 1.00 30.43 C ATOM 460 CD1 ILE A 31 8.943 -24.504 -17.274 1.00 71.32 C ATOM 0 H ILE A 31 8.543 -20.575 -17.135 1.00 33.05 H new ATOM 0 HA ILE A 31 9.530 -20.576 -19.726 1.00 42.10 H new ATOM 0 HB ILE A 31 9.695 -23.107 -19.337 1.00 31.45 H new ATOM 0 HG12 ILE A 31 8.860 -22.516 -16.507 1.00 3.53 H new ATOM 0 HG13 ILE A 31 7.627 -22.880 -17.698 1.00 3.53 H new ATOM 0 HG21 ILE A 31 11.393 -22.857 -17.570 1.00 30.43 H new ATOM 0 HG22 ILE A 31 11.509 -21.559 -18.781 1.00 30.43 H new ATOM 0 HG23 ILE A 31 10.763 -21.235 -17.198 1.00 30.43 H new ATOM 0 HD11 ILE A 31 8.299 -24.896 -16.487 1.00 71.32 H new ATOM 0 HD12 ILE A 31 8.735 -25.026 -18.208 1.00 71.32 H new ATOM 0 HD13 ILE A 31 9.986 -24.656 -16.998 1.00 71.32 H new ATOM 472 N ILE A 32 6.472 -21.651 -19.472 1.00 3.25 N ATOM 473 CA ILE A 32 5.298 -22.081 -20.220 1.00 70.11 C ATOM 474 C ILE A 32 5.023 -21.149 -21.395 1.00 63.24 C ATOM 475 O ILE A 32 4.583 -21.586 -22.458 1.00 15.13 O ATOM 476 CB ILE A 32 4.048 -22.139 -19.322 1.00 40.12 C ATOM 477 CG1 ILE A 32 4.291 -23.070 -18.132 1.00 55.24 C ATOM 478 CG2 ILE A 32 2.840 -22.600 -20.125 1.00 3.53 C ATOM 479 CD1 ILE A 32 3.271 -22.914 -17.026 1.00 73.40 C ATOM 0 H ILE A 32 6.281 -21.379 -18.508 1.00 3.25 H new ATOM 0 HA ILE A 32 5.512 -23.082 -20.595 1.00 70.11 H new ATOM 0 HB ILE A 32 3.846 -21.138 -18.941 1.00 40.12 H new ATOM 0 HG12 ILE A 32 4.282 -24.103 -18.481 1.00 55.24 H new ATOM 0 HG13 ILE A 32 5.285 -22.879 -17.728 1.00 55.24 H new ATOM 0 HG21 ILE A 32 1.964 -22.636 -19.477 1.00 3.53 H new ATOM 0 HG22 ILE A 32 2.658 -21.902 -20.942 1.00 3.53 H new ATOM 0 HG23 ILE A 32 3.031 -23.593 -20.532 1.00 3.53 H new ATOM 0 HD11 ILE A 32 3.505 -23.604 -16.215 1.00 73.40 H new ATOM 0 HD12 ILE A 32 3.295 -21.891 -16.650 1.00 73.40 H new ATOM 0 HD13 ILE A 32 2.277 -23.134 -17.414 1.00 73.40 H new ATOM 491 N GLY A 33 5.289 -19.861 -21.197 1.00 61.44 N ATOM 492 CA GLY A 33 5.066 -18.888 -22.250 1.00 1.40 C ATOM 493 C GLY A 33 6.343 -18.521 -22.981 1.00 34.23 C ATOM 494 O GLY A 33 7.435 -18.608 -22.419 1.00 24.21 O ATOM 0 H GLY A 33 5.655 -19.475 -20.327 1.00 61.44 H new ATOM 0 HA2 GLY A 33 4.345 -19.288 -22.963 1.00 1.40 H new ATOM 0 HA3 GLY A 33 4.625 -17.988 -21.821 1.00 1.40 H new ATOM 498 N LEU A 34 6.206 -18.112 -24.237 1.00 44.21 N ATOM 499 CA LEU A 34 7.359 -17.732 -25.047 1.00 74.13 C ATOM 500 C LEU A 34 8.002 -16.456 -24.515 1.00 1.14 C ATOM 501 O LEU A 34 9.216 -16.395 -24.322 1.00 31.13 O ATOM 502 CB LEU A 34 6.939 -17.535 -26.505 1.00 63.41 C ATOM 503 CG LEU A 34 6.966 -18.785 -27.386 1.00 30.12 C ATOM 504 CD1 LEU A 34 6.183 -18.551 -28.668 1.00 60.24 C ATOM 505 CD2 LEU A 34 8.400 -19.186 -27.700 1.00 0.23 C ATOM 0 H LEU A 34 5.309 -18.035 -24.717 1.00 44.21 H new ATOM 0 HA LEU A 34 8.092 -18.537 -24.991 1.00 74.13 H new ATOM 0 HB2 LEU A 34 5.928 -17.127 -26.519 1.00 63.41 H new ATOM 0 HB3 LEU A 34 7.592 -16.785 -26.952 1.00 63.41 H new ATOM 0 HG LEU A 34 6.493 -19.601 -26.840 1.00 30.12 H new ATOM 0 HD11 LEU A 34 6.213 -19.451 -29.282 1.00 60.24 H new ATOM 0 HD12 LEU A 34 5.148 -18.313 -28.424 1.00 60.24 H new ATOM 0 HD13 LEU A 34 6.626 -17.721 -29.218 1.00 60.24 H new ATOM 0 HD21 LEU A 34 8.399 -20.077 -28.328 1.00 0.23 H new ATOM 0 HD22 LEU A 34 8.899 -18.372 -28.226 1.00 0.23 H new ATOM 0 HD23 LEU A 34 8.931 -19.397 -26.771 1.00 0.23 H new ATOM 517 N MET A 35 7.180 -15.439 -24.277 1.00 73.32 N ATOM 518 CA MET A 35 7.669 -14.165 -23.763 1.00 73.22 C ATOM 519 C MET A 35 6.631 -13.511 -22.857 1.00 2.54 C ATOM 520 O MET A 35 5.446 -13.837 -22.916 1.00 32.31 O ATOM 521 CB MET A 35 8.019 -13.225 -24.918 1.00 61.55 C ATOM 522 CG MET A 35 8.892 -13.870 -25.983 1.00 21.12 C ATOM 523 SD MET A 35 9.470 -12.689 -27.216 1.00 50.23 S ATOM 524 CE MET A 35 10.530 -13.732 -28.214 1.00 70.41 C ATOM 0 H MET A 35 6.172 -15.472 -24.432 1.00 73.32 H new ATOM 0 HA MET A 35 8.567 -14.359 -23.177 1.00 73.22 H new ATOM 0 HB2 MET A 35 7.097 -12.872 -25.380 1.00 61.55 H new ATOM 0 HB3 MET A 35 8.532 -12.349 -24.520 1.00 61.55 H new ATOM 0 HG2 MET A 35 9.751 -14.341 -25.506 1.00 21.12 H new ATOM 0 HG3 MET A 35 8.329 -14.661 -26.479 1.00 21.12 H new ATOM 0 HE1 MET A 35 10.964 -13.143 -29.022 1.00 70.41 H new ATOM 0 HE2 MET A 35 11.328 -14.140 -27.593 1.00 70.41 H new ATOM 0 HE3 MET A 35 9.944 -14.549 -28.635 1.00 70.41 H new ATOM 534 N VAL A 36 7.085 -12.585 -22.017 1.00 50.35 N ATOM 535 CA VAL A 36 6.196 -11.884 -21.099 1.00 12.30 C ATOM 536 C VAL A 36 6.196 -10.384 -21.371 1.00 4.40 C ATOM 537 O VAL A 36 7.241 -9.791 -21.639 1.00 33.02 O ATOM 538 CB VAL A 36 6.597 -12.129 -19.632 1.00 44.53 C ATOM 539 CG1 VAL A 36 5.559 -11.542 -18.689 1.00 15.21 C ATOM 540 CG2 VAL A 36 6.786 -13.616 -19.373 1.00 54.41 C ATOM 0 H VAL A 36 8.063 -12.304 -21.954 1.00 50.35 H new ATOM 0 HA VAL A 36 5.194 -12.280 -21.265 1.00 12.30 H new ATOM 0 HB VAL A 36 7.546 -11.628 -19.444 1.00 44.53 H new ATOM 0 HG11 VAL A 36 5.860 -11.725 -17.657 1.00 15.21 H new ATOM 0 HG12 VAL A 36 5.479 -10.468 -18.859 1.00 15.21 H new ATOM 0 HG13 VAL A 36 4.593 -12.011 -18.874 1.00 15.21 H new ATOM 0 HG21 VAL A 36 7.069 -13.771 -18.332 1.00 54.41 H new ATOM 0 HG22 VAL A 36 5.854 -14.142 -19.578 1.00 54.41 H new ATOM 0 HG23 VAL A 36 7.571 -14.002 -20.024 1.00 54.41 H new ATOM 550 N GLY A 37 5.017 -9.774 -21.300 1.00 33.22 N ATOM 551 CA GLY A 37 4.903 -8.348 -21.541 1.00 1.45 C ATOM 552 C GLY A 37 5.698 -7.526 -20.545 1.00 22.51 C ATOM 553 O GLY A 37 6.009 -6.363 -20.797 1.00 32.03 O ATOM 0 H GLY A 37 4.138 -10.243 -21.080 1.00 33.22 H new ATOM 0 HA2 GLY A 37 5.249 -8.124 -22.550 1.00 1.45 H new ATOM 0 HA3 GLY A 37 3.854 -8.057 -21.492 1.00 1.45 H new ATOM 557 N GLY A 38 6.028 -8.133 -19.408 1.00 74.35 N ATOM 558 CA GLY A 38 6.787 -7.435 -18.388 1.00 32.03 C ATOM 559 C GLY A 38 8.215 -7.158 -18.815 1.00 33.44 C ATOM 560 O GLY A 38 8.852 -6.231 -18.314 1.00 33.50 O ATOM 0 H GLY A 38 5.783 -9.096 -19.176 1.00 74.35 H new ATOM 0 HA2 GLY A 38 6.292 -6.493 -18.153 1.00 32.03 H new ATOM 0 HA3 GLY A 38 6.793 -8.029 -17.474 1.00 32.03 H new ATOM 564 N VAL A 39 8.720 -7.965 -19.742 1.00 24.50 N ATOM 565 CA VAL A 39 10.083 -7.804 -20.236 1.00 14.41 C ATOM 566 C VAL A 39 10.089 -7.353 -21.692 1.00 62.44 C ATOM 567 O VAL A 39 10.943 -6.570 -22.108 1.00 2.15 O ATOM 568 CB VAL A 39 10.884 -9.113 -20.111 1.00 42.10 C ATOM 569 CG1 VAL A 39 11.223 -9.395 -18.655 1.00 41.13 C ATOM 570 CG2 VAL A 39 10.110 -10.271 -20.721 1.00 33.52 C ATOM 0 H VAL A 39 8.206 -8.737 -20.166 1.00 24.50 H new ATOM 0 HA VAL A 39 10.555 -7.039 -19.620 1.00 14.41 H new ATOM 0 HB VAL A 39 11.818 -9.001 -20.661 1.00 42.10 H new ATOM 0 HG11 VAL A 39 11.789 -10.324 -18.587 1.00 41.13 H new ATOM 0 HG12 VAL A 39 11.821 -8.576 -18.255 1.00 41.13 H new ATOM 0 HG13 VAL A 39 10.303 -9.488 -18.078 1.00 41.13 H new ATOM 0 HG21 VAL A 39 10.691 -11.188 -20.624 1.00 33.52 H new ATOM 0 HG22 VAL A 39 9.159 -10.387 -20.201 1.00 33.52 H new ATOM 0 HG23 VAL A 39 9.924 -10.069 -21.776 1.00 33.52 H new ATOM 580 N VAL A 40 9.130 -7.854 -22.465 1.00 44.02 N ATOM 581 CA VAL A 40 9.024 -7.502 -23.876 1.00 60.31 C ATOM 582 C VAL A 40 7.697 -6.812 -24.172 1.00 22.10 C ATOM 583 O VAL A 40 6.858 -6.651 -23.286 1.00 5.23 O ATOM 584 CB VAL A 40 9.155 -8.746 -24.776 1.00 3.51 C ATOM 585 CG1 VAL A 40 10.554 -9.333 -24.674 1.00 25.30 C ATOM 586 CG2 VAL A 40 8.104 -9.782 -24.408 1.00 65.20 C ATOM 0 H VAL A 40 8.416 -8.505 -22.138 1.00 44.02 H new ATOM 0 HA VAL A 40 9.843 -6.817 -24.094 1.00 60.31 H new ATOM 0 HB VAL A 40 8.988 -8.445 -25.810 1.00 3.51 H new ATOM 0 HG11 VAL A 40 10.628 -10.211 -25.316 1.00 25.30 H new ATOM 0 HG12 VAL A 40 11.285 -8.589 -24.991 1.00 25.30 H new ATOM 0 HG13 VAL A 40 10.753 -9.621 -23.642 1.00 25.30 H new ATOM 0 HG21 VAL A 40 8.211 -10.654 -25.053 1.00 65.20 H new ATOM 0 HG22 VAL A 40 8.237 -10.082 -23.368 1.00 65.20 H new ATOM 0 HG23 VAL A 40 7.110 -9.354 -24.538 1.00 65.20 H new