USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= -0.473 K(o=-1.9,f=-2.7) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.39 X(o=-1.9,f=-1.9!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -4.8 K(o=-4.8,f=-9.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= -0.127 (180deg=-0.851) USER MOD Single : A 53 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 58 SER OG : rot 48:sc= 1.2 USER MOD Single : A 62 THR OG1 : rot 173:sc= -0.574 USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.812 USER MOD Single : A 70 MET CE :methyl -169:sc= -0.578 (180deg=-0.823) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -51:sc= 0.108 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 66:sc= 0.458 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.839 -1.482 -1.473 1.00 23.13 N ATOM 19 CA SER A 2 4.441 -2.726 -1.009 1.00 70.22 C ATOM 20 C SER A 2 4.117 -3.875 -1.960 1.00 60.42 C ATOM 21 O SER A 2 3.305 -3.729 -2.873 1.00 33.03 O ATOM 22 CB SER A 2 3.948 -3.061 0.401 1.00 14.01 C ATOM 23 OG SER A 2 4.696 -2.364 1.381 1.00 44.23 O ATOM 0 HA SER A 2 5.522 -2.591 -0.986 1.00 70.22 H new ATOM 0 HB2 SER A 2 2.893 -2.802 0.492 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.029 -4.134 0.573 1.00 14.01 H new ATOM 0 HG SER A 2 4.361 -2.594 2.273 1.00 44.23 H new ATOM 29 N VAL A 3 4.758 -5.017 -1.737 1.00 5.10 N ATOM 30 CA VAL A 3 4.537 -6.192 -2.572 1.00 74.43 C ATOM 31 C VAL A 3 3.050 -6.498 -2.710 1.00 53.33 C ATOM 32 O VAL A 3 2.615 -7.068 -3.709 1.00 14.34 O ATOM 33 CB VAL A 3 5.254 -7.431 -1.999 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.440 -8.043 -0.869 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.512 -8.451 -3.097 1.00 71.40 C ATOM 0 H VAL A 3 5.434 -5.154 -0.986 1.00 5.10 H new ATOM 0 HA VAL A 3 4.950 -5.963 -3.554 1.00 74.43 H new ATOM 0 HB VAL A 3 6.216 -7.119 -1.593 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.961 -8.916 -0.477 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.312 -7.309 -0.074 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.462 -8.343 -1.246 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.019 -9.319 -2.675 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.564 -8.762 -3.535 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.139 -8.004 -3.869 1.00 71.40 H new ATOM 45 N GLU A 4 2.277 -6.114 -1.700 1.00 43.03 N ATOM 46 CA GLU A 4 0.837 -6.348 -1.709 1.00 11.43 C ATOM 47 C GLU A 4 0.192 -5.716 -2.939 1.00 22.33 C ATOM 48 O GLU A 4 -0.479 -6.392 -3.719 1.00 35.51 O ATOM 49 CB GLU A 4 0.199 -5.785 -0.437 1.00 73.40 C ATOM 50 CG GLU A 4 -1.293 -6.056 -0.334 1.00 34.13 C ATOM 51 CD GLU A 4 -1.818 -5.897 1.079 1.00 73.21 C ATOM 52 OE1 GLU A 4 -1.039 -6.123 2.029 1.00 60.22 O ATOM 53 OE2 GLU A 4 -3.007 -5.549 1.236 1.00 42.52 O1- ATOM 0 H GLU A 4 2.623 -5.640 -0.866 1.00 43.03 H new ATOM 0 HA GLU A 4 0.669 -7.424 -1.745 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.699 -6.215 0.431 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.368 -4.709 -0.401 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.829 -5.375 -0.995 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.500 -7.068 -0.683 1.00 34.13 H new ATOM 60 N THR A 5 0.398 -4.413 -3.104 1.00 74.04 N ATOM 61 CA THR A 5 -0.164 -3.689 -4.237 1.00 61.14 C ATOM 62 C THR A 5 0.367 -4.234 -5.558 1.00 11.11 C ATOM 63 O THR A 5 -0.213 -3.995 -6.617 1.00 53.10 O ATOM 64 CB THR A 5 0.151 -2.183 -4.153 1.00 23.45 C ATOM 65 OG1 THR A 5 0.086 -1.744 -2.791 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.826 -1.377 -4.997 1.00 71.31 C ATOM 0 H THR A 5 0.950 -3.838 -2.467 1.00 74.04 H new ATOM 0 HA THR A 5 -1.244 -3.831 -4.197 1.00 61.14 H new ATOM 0 HB THR A 5 1.158 -2.023 -4.539 1.00 23.45 H new ATOM 0 HG1 THR A 5 0.289 -0.786 -2.746 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.583 -0.317 -4.922 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.754 -1.693 -6.038 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.841 -1.543 -4.637 1.00 71.31 H new ATOM 74 N ILE A 6 1.472 -4.968 -5.487 1.00 14.44 N ATOM 75 CA ILE A 6 2.079 -5.549 -6.678 1.00 13.03 C ATOM 76 C ILE A 6 1.399 -6.860 -7.058 1.00 73.35 C ATOM 77 O ILE A 6 1.064 -7.083 -8.222 1.00 33.51 O ATOM 78 CB ILE A 6 3.584 -5.805 -6.475 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.379 -4.519 -6.712 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.064 -6.910 -7.404 1.00 42.51 C ATOM 81 CD1 ILE A 6 4.215 -3.496 -5.610 1.00 64.21 C ATOM 0 H ILE A 6 1.965 -5.174 -4.618 1.00 14.44 H new ATOM 0 HA ILE A 6 1.947 -4.827 -7.484 1.00 13.03 H new ATOM 0 HB ILE A 6 3.747 -6.126 -5.446 1.00 41.41 H new ATOM 0 HG12 ILE A 6 5.436 -4.768 -6.812 1.00 24.24 H new ATOM 0 HG13 ILE A 6 4.065 -4.076 -7.657 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.130 -7.079 -7.248 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.516 -7.828 -7.191 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.891 -6.616 -8.439 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.806 -2.611 -5.844 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.164 -3.219 -5.525 1.00 64.21 H new ATOM 0 HD13 ILE A 6 4.556 -3.921 -4.666 1.00 64.21 H new ATOM 93 N ILE A 7 1.197 -7.724 -6.069 1.00 51.41 N ATOM 94 CA ILE A 7 0.554 -9.012 -6.299 1.00 0.02 C ATOM 95 C ILE A 7 -0.956 -8.853 -6.446 1.00 53.31 C ATOM 96 O ILE A 7 -1.602 -9.619 -7.161 1.00 54.10 O ATOM 97 CB ILE A 7 0.846 -10.000 -5.154 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.347 -10.285 -5.070 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.066 -11.290 -5.357 1.00 54.25 C ATOM 100 CD1 ILE A 7 2.923 -10.879 -6.336 1.00 52.51 C ATOM 0 H ILE A 7 1.469 -7.555 -5.101 1.00 51.41 H new ATOM 0 HA ILE A 7 0.968 -9.411 -7.225 1.00 0.02 H new ATOM 0 HB ILE A 7 0.527 -9.550 -4.214 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.872 -9.357 -4.842 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.533 -10.968 -4.241 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.282 -11.978 -4.540 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -1.002 -11.071 -5.374 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.357 -11.746 -6.303 1.00 54.25 H new ATOM 0 HD11 ILE A 7 3.991 -11.054 -6.203 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.425 -11.824 -6.554 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.769 -10.188 -7.165 1.00 52.51 H new ATOM 112 N GLU A 8 -1.509 -7.854 -5.767 1.00 35.43 N ATOM 113 CA GLU A 8 -2.944 -7.596 -5.824 1.00 71.25 C ATOM 114 C GLU A 8 -3.390 -7.313 -7.256 1.00 71.52 C ATOM 115 O GLU A 8 -4.507 -7.650 -7.647 1.00 32.54 O ATOM 116 CB GLU A 8 -3.307 -6.415 -4.922 1.00 71.25 C ATOM 117 CG GLU A 8 -3.073 -5.060 -5.569 1.00 15.12 C ATOM 118 CD GLU A 8 -3.633 -3.915 -4.747 1.00 1.01 C ATOM 119 OE1 GLU A 8 -3.721 -4.062 -3.510 1.00 75.25 O ATOM 120 OE2 GLU A 8 -3.982 -2.874 -5.339 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.987 -7.211 -5.172 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.462 -8.487 -5.471 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -4.356 -6.496 -4.637 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -2.722 -6.476 -4.005 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -2.003 -4.910 -5.712 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.531 -5.050 -6.558 1.00 15.12 H new ATOM 127 N ARG A 9 -2.508 -6.692 -8.032 1.00 14.15 N ATOM 128 CA ARG A 9 -2.810 -6.362 -9.420 1.00 33.34 C ATOM 129 C ARG A 9 -2.721 -7.602 -10.305 1.00 22.34 C ATOM 130 O ARG A 9 -3.445 -7.723 -11.294 1.00 52.23 O ATOM 131 CB ARG A 9 -1.850 -5.287 -9.931 1.00 41.22 C ATOM 132 CG ARG A 9 -2.004 -3.949 -9.228 1.00 63.41 C ATOM 133 CD ARG A 9 -0.968 -2.944 -9.709 1.00 44.44 C ATOM 134 NE ARG A 9 -1.504 -1.586 -9.757 1.00 1.20 N ATOM 135 CZ ARG A 9 -0.974 -0.612 -10.489 1.00 43.43 C ATOM 136 NH1 ARG A 9 0.100 -0.846 -11.230 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -1.520 0.597 -10.481 1.00 51.24 N ATOM 0 H ARG A 9 -1.578 -6.407 -7.723 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.829 -5.979 -9.463 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.826 -5.638 -9.806 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -2.011 -5.147 -11.000 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -3.005 -3.556 -9.407 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -1.905 -4.089 -8.152 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -0.103 -2.969 -9.046 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -0.618 -3.231 -10.701 1.00 44.44 H new ATOM 0 HE ARG A 9 -2.330 -1.374 -9.198 1.00 1.20 H new ATOM 0 HH11 ARG A 9 0.521 -1.775 -11.239 1.00 23.04 H new ATOM 0 HH12 ARG A 9 0.505 -0.097 -11.791 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -2.347 0.779 -9.913 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -1.113 1.344 -11.043 1.00 51.24 H new ATOM 151 N ILE A 10 -1.829 -8.518 -9.943 1.00 40.41 N ATOM 152 CA ILE A 10 -1.647 -9.748 -10.704 1.00 14.34 C ATOM 153 C ILE A 10 -2.842 -10.680 -10.537 1.00 62.03 C ATOM 154 O ILE A 10 -3.485 -11.065 -11.515 1.00 74.00 O ATOM 155 CB ILE A 10 -0.368 -10.490 -10.276 1.00 5.51 C ATOM 156 CG1 ILE A 10 0.840 -9.553 -10.347 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.147 -11.714 -11.152 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.090 -10.129 -9.717 1.00 13.02 C ATOM 0 H ILE A 10 -1.222 -8.432 -9.128 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.557 -9.461 -11.752 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.487 -10.822 -9.245 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.045 -9.316 -11.391 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.592 -8.615 -9.850 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.761 -12.228 -10.837 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.998 -12.389 -11.056 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.046 -11.404 -12.192 1.00 55.12 H new ATOM 0 HD11 ILE A 10 2.905 -9.411 -9.804 1.00 13.02 H new ATOM 0 HD12 ILE A 10 1.903 -10.340 -8.664 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.363 -11.052 -10.229 1.00 13.02 H new ATOM 170 N LYS A 11 -3.137 -11.039 -9.293 1.00 61.13 N ATOM 171 CA LYS A 11 -4.257 -11.924 -8.996 1.00 50.23 C ATOM 172 C LYS A 11 -5.538 -11.420 -9.653 1.00 62.52 C ATOM 173 O LYS A 11 -6.389 -12.209 -10.062 1.00 43.22 O ATOM 174 CB LYS A 11 -4.457 -12.036 -7.483 1.00 4.34 C ATOM 175 CG LYS A 11 -4.339 -10.710 -6.753 1.00 75.22 C ATOM 176 CD LYS A 11 -5.451 -10.532 -5.733 1.00 21.30 C ATOM 177 CE LYS A 11 -5.386 -11.593 -4.646 1.00 45.52 C ATOM 178 NZ LYS A 11 -5.570 -11.010 -3.289 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.615 -10.730 -8.473 1.00 61.13 H new ATOM 0 HA LYS A 11 -4.026 -12.910 -9.400 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.440 -12.463 -7.286 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.721 -12.730 -7.078 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.373 -10.655 -6.252 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.372 -9.893 -7.474 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.377 -9.543 -5.282 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -6.417 -10.582 -6.234 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -6.155 -12.344 -4.826 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -4.424 -12.104 -4.694 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -5.519 -11.766 -2.577 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -4.821 -10.311 -3.107 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -6.498 -10.545 -3.234 1.00 13.21 H new ATOM 192 N ALA A 12 -5.667 -10.100 -9.752 1.00 55.14 N ATOM 193 CA ALA A 12 -6.841 -9.492 -10.363 1.00 34.34 C ATOM 194 C ALA A 12 -6.781 -9.584 -11.884 1.00 55.24 C ATOM 195 O ALA A 12 -7.811 -9.673 -12.551 1.00 10.40 O ATOM 196 CB ALA A 12 -6.971 -8.040 -9.926 1.00 45.33 C ATOM 0 H ALA A 12 -4.972 -9.433 -9.417 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.720 -10.043 -10.027 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.853 -7.598 -10.390 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -7.070 -7.994 -8.841 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -6.083 -7.487 -10.233 1.00 45.33 H new ATOM 202 N ARG A 13 -5.567 -9.565 -12.425 1.00 1.42 N ATOM 203 CA ARG A 13 -5.373 -9.645 -13.868 1.00 42.34 C ATOM 204 C ARG A 13 -5.517 -11.084 -14.356 1.00 75.41 C ATOM 205 O ARG A 13 -6.253 -11.357 -15.305 1.00 71.34 O ATOM 206 CB ARG A 13 -3.994 -9.102 -14.249 1.00 55.21 C ATOM 207 CG ARG A 13 -3.717 -9.138 -15.743 1.00 12.20 C ATOM 208 CD ARG A 13 -4.523 -8.081 -16.484 1.00 25.52 C ATOM 209 NE ARG A 13 -4.500 -8.290 -17.929 1.00 14.11 N ATOM 210 CZ ARG A 13 -5.332 -7.688 -18.772 1.00 35.11 C ATOM 211 NH1 ARG A 13 -6.248 -6.845 -18.316 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -5.249 -7.930 -20.074 1.00 54.31 N ATOM 0 H ARG A 13 -4.704 -9.495 -11.886 1.00 1.42 H new ATOM 0 HA ARG A 13 -6.141 -9.038 -14.348 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.908 -8.074 -13.897 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.229 -9.682 -13.732 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.654 -8.978 -15.921 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.961 -10.125 -16.136 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -5.554 -8.098 -16.131 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.124 -7.093 -16.254 1.00 25.52 H new ATOM 0 HE ARG A 13 -3.807 -8.933 -18.312 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -6.315 -6.657 -17.316 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -6.885 -6.384 -18.965 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -4.546 -8.579 -20.428 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -5.888 -7.467 -20.720 1.00 54.31 H new ATOM 226 N VAL A 14 -4.811 -11.999 -13.702 1.00 22.42 N ATOM 227 CA VAL A 14 -4.861 -13.410 -14.069 1.00 65.13 C ATOM 228 C VAL A 14 -6.300 -13.909 -14.137 1.00 11.41 C ATOM 229 O VAL A 14 -6.669 -14.647 -15.049 1.00 11.41 O ATOM 230 CB VAL A 14 -4.074 -14.278 -13.070 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.592 -14.279 -13.414 1.00 11.02 C ATOM 232 CG2 VAL A 14 -4.298 -13.788 -11.646 1.00 61.14 C ATOM 0 H VAL A 14 -4.197 -11.790 -12.915 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.402 -13.498 -15.054 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.440 -15.302 -13.140 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.052 -14.898 -12.697 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -2.452 -14.681 -14.418 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.209 -13.259 -13.374 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.734 -14.413 -10.953 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -3.961 -12.755 -11.559 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -5.359 -13.845 -11.404 1.00 61.14 H new ATOM 242 N GLY A 15 -7.109 -13.501 -13.163 1.00 21.44 N ATOM 243 CA GLY A 15 -8.499 -13.917 -13.131 1.00 52.30 C ATOM 244 C GLY A 15 -9.368 -13.106 -14.072 1.00 73.25 C ATOM 245 O GLY A 15 -10.577 -13.323 -14.153 1.00 42.21 O ATOM 0 H GLY A 15 -6.826 -12.890 -12.396 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.566 -14.972 -13.398 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.881 -13.820 -12.115 1.00 52.30 H new ATOM 249 N ALA A 16 -8.752 -12.168 -14.783 1.00 11.20 N ATOM 250 CA ALA A 16 -9.478 -11.322 -15.723 1.00 51.25 C ATOM 251 C ALA A 16 -9.102 -11.653 -17.163 1.00 3.23 C ATOM 252 O ALA A 16 -9.720 -11.159 -18.107 1.00 4.14 O ATOM 253 CB ALA A 16 -9.208 -9.854 -15.429 1.00 14.21 C ATOM 0 H ALA A 16 -7.752 -11.974 -14.726 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.544 -11.516 -15.600 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.756 -9.234 -16.138 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.533 -9.620 -14.415 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -8.140 -9.655 -15.522 1.00 14.21 H new ATOM 259 N VAL A 17 -8.084 -12.492 -17.326 1.00 61.40 N ATOM 260 CA VAL A 17 -7.626 -12.890 -18.652 1.00 25.41 C ATOM 261 C VAL A 17 -8.786 -13.380 -19.511 1.00 62.03 C ATOM 262 O VAL A 17 -9.566 -14.234 -19.089 1.00 65.32 O ATOM 263 CB VAL A 17 -6.559 -13.998 -18.568 1.00 5.11 C ATOM 264 CG1 VAL A 17 -6.359 -14.651 -19.928 1.00 42.13 C ATOM 265 CG2 VAL A 17 -5.249 -13.438 -18.038 1.00 53.34 C ATOM 0 H VAL A 17 -7.561 -12.909 -16.556 1.00 61.40 H new ATOM 0 HA VAL A 17 -7.186 -12.006 -19.113 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.908 -14.762 -17.873 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.602 -15.431 -19.849 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -7.299 -15.090 -20.263 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -6.033 -13.900 -20.648 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.507 -14.235 -17.986 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.892 -12.654 -18.705 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.407 -13.023 -17.042 1.00 53.34 H new ATOM 275 N ASP A 18 -8.893 -12.834 -20.717 1.00 53.03 N ATOM 276 CA ASP A 18 -9.958 -13.217 -21.638 1.00 53.12 C ATOM 277 C ASP A 18 -9.423 -14.127 -22.739 1.00 33.02 C ATOM 278 O ASP A 18 -8.295 -13.977 -23.208 1.00 11.13 O ATOM 279 CB ASP A 18 -10.600 -11.973 -22.253 1.00 41.05 C ATOM 280 CG ASP A 18 -11.614 -11.327 -21.329 1.00 3.44 C ATOM 281 OD1 ASP A 18 -12.092 -10.219 -21.654 1.00 41.35 O ATOM 282 OD2 ASP A 18 -11.930 -11.929 -20.282 1.00 43.50 O1- ATOM 0 H ASP A 18 -8.256 -12.125 -21.080 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.713 -13.765 -21.075 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -9.822 -11.249 -22.497 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -11.087 -12.245 -23.189 1.00 41.05 H new ATOM 287 N PRO A 19 -10.251 -15.094 -23.161 1.00 61.33 N ATOM 288 CA PRO A 19 -9.883 -16.047 -24.212 1.00 24.45 C ATOM 289 C PRO A 19 -9.792 -15.390 -25.585 1.00 52.45 C ATOM 290 O PRO A 19 -9.293 -15.989 -26.538 1.00 60.01 O ATOM 291 CB PRO A 19 -11.025 -17.067 -24.182 1.00 44.51 C ATOM 292 CG PRO A 19 -12.186 -16.319 -23.623 1.00 61.04 C ATOM 293 CD PRO A 19 -11.610 -15.331 -22.647 1.00 65.12 C ATOM 0 HA PRO A 19 -8.899 -16.483 -24.040 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -11.242 -17.447 -25.180 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.772 -17.927 -23.561 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.739 -15.810 -24.412 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.884 -16.994 -23.129 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -12.194 -14.411 -22.616 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.592 -15.732 -21.634 1.00 65.12 H new ATOM 301 N ASN A 20 -10.276 -14.157 -25.679 1.00 14.21 N ATOM 302 CA ASN A 20 -10.248 -13.418 -26.937 1.00 51.20 C ATOM 303 C ASN A 20 -8.835 -12.940 -27.256 1.00 32.21 C ATOM 304 O ASN A 20 -8.424 -12.915 -28.415 1.00 25.02 O ATOM 305 CB ASN A 20 -11.201 -12.224 -26.871 1.00 64.43 C ATOM 306 CG ASN A 20 -12.464 -12.446 -27.682 1.00 2.35 C ATOM 307 OD1 ASN A 20 -12.730 -11.726 -28.645 1.00 4.13 O ATOM 308 ND2 ASN A 20 -13.247 -13.445 -27.295 1.00 52.44 N ATOM 0 H ASN A 20 -10.693 -13.647 -24.900 1.00 14.21 H new ATOM 0 HA ASN A 20 -10.572 -14.089 -27.732 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -11.469 -12.033 -25.832 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -10.689 -11.334 -27.237 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -14.110 -13.642 -27.802 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.986 -14.015 -26.491 1.00 52.44 H new ATOM 315 N GLY A 21 -8.097 -12.559 -26.217 1.00 50.52 N ATOM 316 CA GLY A 21 -6.738 -12.086 -26.407 1.00 62.51 C ATOM 317 C GLY A 21 -5.724 -13.213 -26.393 1.00 11.23 C ATOM 318 O GLY A 21 -5.406 -13.805 -27.425 1.00 25.24 O ATOM 0 H GLY A 21 -8.416 -12.570 -25.248 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -6.671 -11.553 -27.356 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -6.492 -11.371 -25.622 1.00 62.51 H new ATOM 322 N PRO A 22 -5.197 -13.526 -25.199 1.00 62.45 N ATOM 323 CA PRO A 22 -4.205 -14.591 -25.026 1.00 23.24 C ATOM 324 C PRO A 22 -4.802 -15.979 -25.236 1.00 51.52 C ATOM 325 O PRO A 22 -5.924 -16.115 -25.726 1.00 44.23 O ATOM 326 CB PRO A 22 -3.750 -14.419 -23.575 1.00 44.15 C ATOM 327 CG PRO A 22 -4.897 -13.754 -22.894 1.00 54.42 C ATOM 328 CD PRO A 22 -5.532 -12.864 -23.927 1.00 52.42 C ATOM 0 HA PRO A 22 -3.396 -14.517 -25.753 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -3.520 -15.380 -23.116 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.847 -13.812 -23.513 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -5.610 -14.490 -22.522 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -4.558 -13.175 -22.035 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -6.610 -12.789 -23.785 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -5.133 -11.850 -23.884 1.00 52.42 H new ATOM 336 N ARG A 23 -4.046 -17.006 -24.862 1.00 3.14 N ATOM 337 CA ARG A 23 -4.501 -18.383 -25.011 1.00 53.14 C ATOM 338 C ARG A 23 -4.118 -19.216 -23.790 1.00 53.31 C ATOM 339 O ARG A 23 -3.268 -18.818 -22.994 1.00 11.32 O ATOM 340 CB ARG A 23 -3.903 -19.006 -26.273 1.00 65.52 C ATOM 341 CG ARG A 23 -4.449 -18.412 -27.562 1.00 43.32 C ATOM 342 CD ARG A 23 -5.966 -18.517 -27.625 1.00 4.23 C ATOM 343 NE ARG A 23 -6.426 -19.027 -28.913 1.00 13.13 N ATOM 344 CZ ARG A 23 -6.397 -18.319 -30.037 1.00 63.53 C ATOM 345 NH1 ARG A 23 -5.931 -17.077 -30.030 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -6.834 -18.853 -31.170 1.00 32.33 N ATOM 0 H ARG A 23 -3.116 -16.911 -24.454 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.587 -18.373 -25.098 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.821 -18.878 -26.254 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -4.097 -20.079 -26.266 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -4.152 -17.366 -27.636 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -4.012 -18.929 -28.416 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.317 -19.173 -26.829 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.405 -17.536 -27.446 1.00 4.23 H new ATOM 0 HE ARG A 23 -6.790 -19.979 -28.952 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -5.594 -16.664 -29.161 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -5.910 -16.535 -30.894 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.193 -19.808 -31.179 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -6.811 -18.309 -32.032 1.00 32.33 H new ATOM 360 N LYS A 24 -4.753 -20.375 -23.649 1.00 71.13 N ATOM 361 CA LYS A 24 -4.481 -21.265 -22.527 1.00 41.04 C ATOM 362 C LYS A 24 -3.112 -21.921 -22.674 1.00 22.22 C ATOM 363 O LYS A 24 -2.955 -22.898 -23.407 1.00 21.24 O ATOM 364 CB LYS A 24 -5.565 -22.340 -22.427 1.00 44.53 C ATOM 365 CG LYS A 24 -6.702 -21.972 -21.490 1.00 62.53 C ATOM 366 CD LYS A 24 -7.997 -22.660 -21.888 1.00 63.55 C ATOM 367 CE LYS A 24 -8.872 -21.754 -22.740 1.00 34.31 C ATOM 368 NZ LYS A 24 -10.282 -22.229 -22.788 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.460 -20.720 -24.298 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.484 -20.670 -21.614 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.971 -22.528 -23.421 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.111 -23.271 -22.086 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.439 -22.252 -20.470 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.846 -20.892 -21.497 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -7.771 -23.572 -22.440 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -8.543 -22.957 -20.992 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -8.844 -20.741 -22.339 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.470 -21.708 -23.752 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -10.846 -21.585 -23.378 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -10.312 -23.186 -23.194 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -10.675 -22.249 -21.825 1.00 63.14 H new ATOM 382 N VAL A 25 -2.122 -21.379 -21.970 1.00 32.25 N ATOM 383 CA VAL A 25 -0.766 -21.914 -22.019 1.00 72.11 C ATOM 384 C VAL A 25 -0.487 -22.817 -20.823 1.00 51.12 C ATOM 385 O VAL A 25 -1.314 -22.939 -19.917 1.00 43.45 O ATOM 386 CB VAL A 25 0.281 -20.785 -22.053 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.146 -19.969 -23.329 1.00 11.11 C ATOM 388 CG2 VAL A 25 0.147 -19.898 -20.825 1.00 3.14 C ATOM 0 H VAL A 25 -2.234 -20.570 -21.359 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.689 -22.498 -22.936 1.00 72.11 H new ATOM 0 HB VAL A 25 1.274 -21.234 -22.042 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.894 -19.176 -23.335 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.297 -20.617 -24.193 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.850 -19.528 -23.375 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.894 -19.106 -20.865 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -0.849 -19.456 -20.802 1.00 3.14 H new ATOM 0 HG23 VAL A 25 0.300 -20.495 -19.926 1.00 3.14 H new ATOM 398 N LEU A 26 0.682 -23.447 -20.825 1.00 52.13 N ATOM 399 CA LEU A 26 1.072 -24.339 -19.738 1.00 53.31 C ATOM 400 C LEU A 26 2.426 -23.936 -19.163 1.00 41.52 C ATOM 401 O LEU A 26 3.373 -23.673 -19.903 1.00 23.31 O ATOM 402 CB LEU A 26 1.124 -25.785 -20.233 1.00 34.22 C ATOM 403 CG LEU A 26 2.067 -26.060 -21.405 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.529 -27.509 -21.390 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.386 -25.729 -22.725 1.00 1.25 C ATOM 0 H LEU A 26 1.376 -23.357 -21.567 1.00 52.13 H new ATOM 0 HA LEU A 26 0.325 -24.259 -18.948 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.417 -26.423 -19.399 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.117 -26.084 -20.525 1.00 34.22 H new ATOM 0 HG LEU A 26 2.943 -25.420 -21.300 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.199 -27.686 -22.231 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.055 -27.713 -20.458 1.00 50.53 H new ATOM 0 HD13 LEU A 26 1.664 -28.167 -21.470 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.071 -25.930 -23.548 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.493 -26.343 -22.838 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.106 -24.676 -22.736 1.00 1.25 H new ATOM 417 N GLY A 27 2.512 -23.894 -17.836 1.00 11.13 N ATOM 418 CA GLY A 27 3.755 -23.526 -17.184 1.00 74.50 C ATOM 419 C GLY A 27 3.529 -22.828 -15.858 1.00 72.22 C ATOM 420 O GLY A 27 2.388 -22.637 -15.434 1.00 33.15 O ATOM 0 H GLY A 27 1.743 -24.108 -17.202 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.356 -24.421 -17.022 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.327 -22.872 -17.842 1.00 74.50 H new ATOM 424 N VAL A 28 4.618 -22.449 -15.197 1.00 0.31 N ATOM 425 CA VAL A 28 4.534 -21.770 -13.909 1.00 11.43 C ATOM 426 C VAL A 28 5.659 -20.754 -13.750 1.00 12.21 C ATOM 427 O VAL A 28 6.717 -20.880 -14.367 1.00 72.43 O ATOM 428 CB VAL A 28 4.594 -22.773 -12.742 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.930 -22.190 -11.504 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.944 -24.090 -13.136 1.00 65.50 C ATOM 0 H VAL A 28 5.569 -22.601 -15.532 1.00 0.31 H new ATOM 0 HA VAL A 28 3.575 -21.253 -13.885 1.00 11.43 H new ATOM 0 HB VAL A 28 5.640 -22.968 -12.507 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.982 -22.912 -10.689 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.445 -21.275 -11.211 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.886 -21.964 -11.723 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.996 -24.786 -12.299 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.901 -23.916 -13.399 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.469 -24.513 -13.993 1.00 65.50 H new ATOM 440 N PHE A 29 5.423 -19.745 -12.919 1.00 21.24 N ATOM 441 CA PHE A 29 6.416 -18.703 -12.678 1.00 24.31 C ATOM 442 C PHE A 29 6.716 -18.572 -11.187 1.00 74.32 C ATOM 443 O PHE A 29 5.813 -18.653 -10.354 1.00 14.41 O ATOM 444 CB PHE A 29 5.927 -17.364 -13.232 1.00 62.43 C ATOM 445 CG PHE A 29 5.609 -17.402 -14.699 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.443 -16.834 -15.184 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.478 -18.008 -15.594 1.00 0.33 C ATOM 448 CE1 PHE A 29 4.148 -16.867 -16.534 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.188 -18.043 -16.945 1.00 64.12 C ATOM 450 CZ PHE A 29 5.021 -17.473 -17.416 1.00 52.54 C ATOM 0 H PHE A 29 4.553 -19.626 -12.400 1.00 21.24 H new ATOM 0 HA PHE A 29 7.335 -18.986 -13.192 1.00 24.31 H new ATOM 0 HB2 PHE A 29 5.037 -17.056 -12.683 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.689 -16.606 -13.053 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.756 -16.359 -14.499 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.391 -18.457 -15.232 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.235 -16.419 -16.899 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.874 -18.516 -17.632 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.792 -17.501 -18.471 1.00 52.54 H new ATOM 460 N GLN A 30 7.988 -18.368 -10.861 1.00 73.10 N ATOM 461 CA GLN A 30 8.406 -18.227 -9.471 1.00 2.03 C ATOM 462 C GLN A 30 8.922 -16.817 -9.199 1.00 32.14 C ATOM 463 O GLN A 30 10.098 -16.523 -9.414 1.00 10.04 O ATOM 464 CB GLN A 30 9.490 -19.253 -9.136 1.00 11.10 C ATOM 465 CG GLN A 30 9.784 -19.363 -7.649 1.00 21.52 C ATOM 466 CD GLN A 30 8.524 -19.434 -6.809 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.545 -20.076 -7.191 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.542 -18.774 -5.656 1.00 1.20 N ATOM 0 H GLN A 30 8.746 -18.297 -11.539 1.00 73.10 H new ATOM 0 HA GLN A 30 7.538 -18.406 -8.836 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.183 -20.229 -9.510 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.407 -18.985 -9.660 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.388 -20.252 -7.467 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.377 -18.504 -7.335 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.375 -18.255 -5.379 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.723 -18.787 -5.048 1.00 1.20 H new ATOM 477 N LEU A 31 8.034 -15.950 -8.726 1.00 65.02 N ATOM 478 CA LEU A 31 8.399 -14.570 -8.424 1.00 54.50 C ATOM 479 C LEU A 31 9.046 -14.467 -7.047 1.00 53.24 C ATOM 480 O LEU A 31 8.501 -14.950 -6.056 1.00 13.04 O ATOM 481 CB LEU A 31 7.164 -13.669 -8.488 1.00 52.25 C ATOM 482 CG LEU A 31 7.277 -12.322 -7.773 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.348 -11.461 -8.425 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.937 -11.602 -7.776 1.00 64.43 C ATOM 0 H LEU A 31 7.057 -16.178 -8.543 1.00 65.02 H new ATOM 0 HA LEU A 31 9.121 -14.240 -9.170 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.929 -13.483 -9.536 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.320 -14.213 -8.064 1.00 52.25 H new ATOM 0 HG LEU A 31 7.566 -12.505 -6.738 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.415 -10.506 -7.903 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.309 -11.972 -8.370 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.089 -11.287 -9.469 1.00 62.41 H new ATOM 0 HD21 LEU A 31 6.037 -10.646 -7.263 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.618 -11.431 -8.804 1.00 64.43 H new ATOM 0 HD23 LEU A 31 5.194 -12.213 -7.263 1.00 64.43 H new ATOM 496 N ASN A 32 10.212 -13.830 -6.993 1.00 55.44 N ATOM 497 CA ASN A 32 10.934 -13.662 -5.737 1.00 63.23 C ATOM 498 C ASN A 32 11.283 -12.195 -5.503 1.00 53.21 C ATOM 499 O ASN A 32 12.151 -11.638 -6.176 1.00 30.12 O ATOM 500 CB ASN A 32 12.210 -14.507 -5.741 1.00 15.22 C ATOM 501 CG ASN A 32 11.941 -15.959 -6.084 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.753 -16.793 -5.199 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.920 -16.267 -7.376 1.00 41.33 N ATOM 0 H ASN A 32 10.676 -13.422 -7.804 1.00 55.44 H new ATOM 0 HA ASN A 32 10.287 -13.997 -4.927 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.915 -14.091 -6.460 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.683 -14.450 -4.761 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.743 -17.228 -7.668 1.00 41.33 H new ATOM 0 HD22 ASN A 32 12.081 -15.543 -8.076 1.00 41.33 H new ATOM 510 N ILE A 33 10.602 -11.577 -4.545 1.00 31.21 N ATOM 511 CA ILE A 33 10.840 -10.176 -4.220 1.00 31.14 C ATOM 512 C ILE A 33 11.781 -10.040 -3.028 1.00 52.44 C ATOM 513 O ILE A 33 11.628 -10.731 -2.021 1.00 11.10 O ATOM 514 CB ILE A 33 9.525 -9.438 -3.909 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.525 -9.629 -5.051 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.791 -7.959 -3.671 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.544 -10.754 -4.813 1.00 72.22 C ATOM 0 H ILE A 33 9.880 -12.024 -3.980 1.00 31.21 H new ATOM 0 HA ILE A 33 11.302 -9.723 -5.098 1.00 31.14 H new ATOM 0 HB ILE A 33 9.095 -9.860 -3.001 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.972 -8.701 -5.198 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.072 -9.824 -5.973 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.852 -7.451 -3.452 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.471 -7.843 -2.827 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.241 -7.522 -4.563 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.866 -10.831 -5.663 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.087 -11.692 -4.696 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.970 -10.551 -3.909 1.00 72.22 H new ATOM 529 N LYS A 34 12.755 -9.144 -3.148 1.00 22.24 N ATOM 530 CA LYS A 34 13.720 -8.913 -2.080 1.00 23.21 C ATOM 531 C LYS A 34 13.074 -8.172 -0.914 1.00 44.34 C ATOM 532 O LYS A 34 12.110 -7.427 -1.095 1.00 15.11 O ATOM 533 CB LYS A 34 14.913 -8.116 -2.607 1.00 53.34 C ATOM 534 CG LYS A 34 15.975 -8.976 -3.270 1.00 41.43 C ATOM 535 CD LYS A 34 16.253 -8.520 -4.693 1.00 33.21 C ATOM 536 CE LYS A 34 17.568 -9.083 -5.211 1.00 40.23 C ATOM 537 NZ LYS A 34 17.367 -10.338 -5.987 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.897 -8.565 -3.976 1.00 22.24 H new ATOM 0 HA LYS A 34 14.068 -9.882 -1.723 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.557 -7.376 -3.324 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.366 -7.567 -1.781 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.895 -8.934 -2.687 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.650 -10.016 -3.277 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.438 -8.838 -5.344 1.00 33.21 H new ATOM 0 HD3 LYS A 34 16.283 -7.431 -4.728 1.00 33.21 H new ATOM 0 HE2 LYS A 34 18.058 -8.341 -5.841 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.235 -9.278 -4.371 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.286 -10.690 -6.322 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 16.923 -11.055 -5.378 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 16.751 -10.147 -6.803 1.00 30.42 H new ATOM 551 N THR A 35 13.612 -8.378 0.284 1.00 41.14 N ATOM 552 CA THR A 35 13.089 -7.729 1.479 1.00 62.04 C ATOM 553 C THR A 35 14.208 -7.397 2.460 1.00 21.21 C ATOM 554 O THR A 35 15.354 -7.800 2.267 1.00 42.41 O ATOM 555 CB THR A 35 12.045 -8.613 2.189 1.00 73.14 C ATOM 556 OG1 THR A 35 12.703 -9.621 2.963 1.00 74.33 O ATOM 557 CG2 THR A 35 11.116 -9.269 1.178 1.00 21.11 C ATOM 0 H THR A 35 14.411 -8.990 0.452 1.00 41.14 H new ATOM 0 HA THR A 35 12.610 -6.806 1.152 1.00 62.04 H new ATOM 0 HB THR A 35 11.451 -7.979 2.848 1.00 73.14 H new ATOM 0 HG1 THR A 35 12.033 -10.178 3.412 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.387 -9.888 1.702 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.595 -8.499 0.609 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.699 -9.891 0.498 1.00 21.11 H new ATOM 565 N ALA A 36 13.867 -6.662 3.513 1.00 32.44 N ATOM 566 CA ALA A 36 14.843 -6.279 4.526 1.00 70.24 C ATOM 567 C ALA A 36 15.131 -7.436 5.476 1.00 54.21 C ATOM 568 O ALA A 36 16.108 -7.410 6.224 1.00 10.51 O ATOM 569 CB ALA A 36 14.351 -5.066 5.301 1.00 11.33 C ATOM 0 H ALA A 36 12.922 -6.320 3.687 1.00 32.44 H new ATOM 0 HA ALA A 36 15.773 -6.020 4.020 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.090 -4.791 6.054 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.204 -4.231 4.615 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.406 -5.305 5.790 1.00 11.33 H new ATOM 575 N SER A 37 14.273 -8.451 5.442 1.00 12.43 N ATOM 576 CA SER A 37 14.433 -9.616 6.305 1.00 24.12 C ATOM 577 C SER A 37 14.688 -10.872 5.478 1.00 71.45 C ATOM 578 O SER A 37 14.706 -11.983 6.006 1.00 35.33 O ATOM 579 CB SER A 37 13.188 -9.809 7.173 1.00 74.34 C ATOM 580 OG SER A 37 13.264 -9.027 8.354 1.00 31.32 O ATOM 0 H SER A 37 13.461 -8.490 4.827 1.00 12.43 H new ATOM 0 HA SER A 37 15.294 -9.444 6.950 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.299 -9.532 6.606 1.00 74.34 H new ATOM 0 HB3 SER A 37 13.084 -10.862 7.436 1.00 74.34 H new ATOM 0 HG SER A 37 12.456 -9.166 8.891 1.00 31.32 H new ATOM 586 N GLY A 38 14.887 -10.687 4.176 1.00 20.32 N ATOM 587 CA GLY A 38 15.140 -11.813 3.297 1.00 11.02 C ATOM 588 C GLY A 38 14.501 -11.638 1.933 1.00 44.13 C ATOM 589 O GLY A 38 14.650 -10.594 1.299 1.00 2.10 O ATOM 0 H GLY A 38 14.877 -9.777 3.715 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.216 -11.942 3.177 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.759 -12.724 3.759 1.00 11.02 H new ATOM 593 N VAL A 39 13.788 -12.663 1.479 1.00 25.01 N ATOM 594 CA VAL A 39 13.125 -12.620 0.182 1.00 53.13 C ATOM 595 C VAL A 39 11.782 -13.339 0.226 1.00 4.40 C ATOM 596 O VAL A 39 11.654 -14.398 0.841 1.00 12.03 O ATOM 597 CB VAL A 39 13.998 -13.253 -0.917 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.986 -14.771 -0.800 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.524 -12.812 -2.293 1.00 44.20 C ATOM 0 H VAL A 39 13.655 -13.535 1.991 1.00 25.01 H new ATOM 0 HA VAL A 39 12.963 -11.568 -0.054 1.00 53.13 H new ATOM 0 HB VAL A 39 15.024 -12.910 -0.785 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.608 -15.201 -1.585 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.377 -15.064 0.174 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.964 -15.136 -0.906 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.152 -13.269 -3.058 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.490 -13.124 -2.439 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.590 -11.727 -2.370 1.00 44.20 H new ATOM 609 N GLU A 40 10.782 -12.757 -0.428 1.00 32.42 N ATOM 610 CA GLU A 40 9.448 -13.343 -0.462 1.00 60.10 C ATOM 611 C GLU A 40 9.236 -14.140 -1.747 1.00 42.53 C ATOM 612 O GLU A 40 9.414 -13.619 -2.848 1.00 20.13 O ATOM 613 CB GLU A 40 8.383 -12.250 -0.347 1.00 24.13 C ATOM 614 CG GLU A 40 8.516 -11.401 0.906 1.00 11.04 C ATOM 615 CD GLU A 40 7.437 -11.699 1.930 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.360 -11.071 1.855 1.00 60.43 O ATOM 617 OE2 GLU A 40 7.669 -12.558 2.805 1.00 55.13 O1- ATOM 0 H GLU A 40 10.871 -11.880 -0.941 1.00 32.42 H new ATOM 0 HA GLU A 40 9.356 -14.021 0.386 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.442 -11.603 -1.222 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.396 -12.713 -0.359 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.495 -11.573 1.354 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.471 -10.347 0.633 1.00 11.04 H new ATOM 624 N GLN A 41 8.856 -15.404 -1.595 1.00 42.11 N ATOM 625 CA GLN A 41 8.622 -16.273 -2.743 1.00 75.52 C ATOM 626 C GLN A 41 7.155 -16.243 -3.158 1.00 53.35 C ATOM 627 O GLN A 41 6.272 -15.992 -2.337 1.00 61.42 O ATOM 628 CB GLN A 41 9.041 -17.707 -2.416 1.00 53.24 C ATOM 629 CG GLN A 41 10.357 -17.800 -1.660 1.00 24.20 C ATOM 630 CD GLN A 41 11.342 -18.749 -2.315 1.00 1.24 C ATOM 631 OE1 GLN A 41 11.181 -19.969 -2.252 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.367 -18.194 -2.948 1.00 4.21 N ATOM 0 H GLN A 41 8.704 -15.849 -0.690 1.00 42.11 H new ATOM 0 HA GLN A 41 9.224 -15.905 -3.574 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.257 -18.179 -1.824 1.00 53.24 H new ATOM 0 HB3 GLN A 41 9.124 -18.273 -3.344 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.804 -16.808 -1.593 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.163 -18.131 -0.640 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.461 -17.179 -2.975 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.062 -18.783 -3.408 1.00 4.21 H new ATOM 641 N TRP A 42 6.902 -16.497 -4.437 1.00 43.02 N ATOM 642 CA TRP A 42 5.541 -16.498 -4.962 1.00 5.44 C ATOM 643 C TRP A 42 5.421 -17.435 -6.159 1.00 60.44 C ATOM 644 O TRP A 42 6.384 -17.640 -6.898 1.00 11.52 O ATOM 645 CB TRP A 42 5.126 -15.081 -5.362 1.00 34.30 C ATOM 646 CG TRP A 42 5.088 -14.125 -4.209 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.123 -13.368 -3.737 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.959 -13.826 -3.382 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.704 -12.617 -2.665 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.381 -12.877 -2.429 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.633 -14.263 -3.354 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.523 -12.364 -1.460 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.782 -13.752 -2.392 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.229 -12.810 -1.456 1.00 22.13 C ATOM 0 H TRP A 42 7.621 -16.705 -5.130 1.00 43.02 H new ATOM 0 HA TRP A 42 4.874 -16.855 -4.177 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.821 -14.705 -6.113 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.141 -15.116 -5.828 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.123 -13.361 -4.146 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.285 -11.970 -2.131 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.278 -14.988 -4.072 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.867 -11.639 -0.737 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.755 -14.085 -2.361 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.539 -12.429 -0.717 1.00 22.13 H new ATOM 665 N ILE A 43 4.231 -18.000 -6.344 1.00 22.22 N ATOM 666 CA ILE A 43 3.986 -18.913 -7.454 1.00 14.53 C ATOM 667 C ILE A 43 2.880 -18.389 -8.362 1.00 73.12 C ATOM 668 O ILE A 43 1.723 -18.284 -7.955 1.00 34.33 O ATOM 669 CB ILE A 43 3.599 -20.317 -6.951 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.674 -20.857 -6.006 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.396 -21.262 -8.127 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.171 -21.107 -4.600 1.00 2.14 C ATOM 0 H ILE A 43 3.424 -17.842 -5.741 1.00 22.22 H new ATOM 0 HA ILE A 43 4.916 -18.981 -8.019 1.00 14.53 H new ATOM 0 HB ILE A 43 2.661 -20.245 -6.401 1.00 20.41 H new ATOM 0 HG12 ILE A 43 5.070 -21.788 -6.413 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.501 -20.149 -5.967 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.123 -22.250 -7.757 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.600 -20.881 -8.766 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.320 -21.332 -8.701 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.986 -21.489 -3.985 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.801 -20.174 -4.175 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.363 -21.838 -4.627 1.00 2.14 H new ATOM 684 N VAL A 44 3.244 -18.061 -9.599 1.00 32.54 N ATOM 685 CA VAL A 44 2.282 -17.550 -10.569 1.00 1.41 C ATOM 686 C VAL A 44 2.083 -18.534 -11.716 1.00 62.00 C ATOM 687 O VAL A 44 2.935 -18.657 -12.596 1.00 64.24 O ATOM 688 CB VAL A 44 2.731 -16.192 -11.142 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.527 -15.371 -11.575 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.566 -15.433 -10.122 1.00 14.24 C ATOM 0 H VAL A 44 4.198 -18.140 -9.952 1.00 32.54 H new ATOM 0 HA VAL A 44 1.338 -17.418 -10.040 1.00 1.41 H new ATOM 0 HB VAL A 44 3.350 -16.375 -12.020 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.864 -14.415 -11.977 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.974 -15.913 -12.342 1.00 0.24 H new ATOM 0 HG13 VAL A 44 0.879 -15.195 -10.717 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.874 -14.476 -10.544 1.00 14.24 H new ATOM 0 HG22 VAL A 44 2.974 -15.259 -9.224 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.449 -16.019 -9.867 1.00 14.24 H new ATOM 700 N ASP A 45 0.952 -19.230 -11.700 1.00 45.32 N ATOM 701 CA ASP A 45 0.639 -20.204 -12.742 1.00 21.31 C ATOM 702 C ASP A 45 -0.030 -19.527 -13.933 1.00 43.53 C ATOM 703 O ASP A 45 -0.704 -18.507 -13.785 1.00 12.42 O ATOM 704 CB ASP A 45 -0.269 -21.301 -12.186 1.00 64.12 C ATOM 705 CG ASP A 45 -1.339 -21.722 -13.175 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.391 -21.051 -13.233 1.00 21.05 O ATOM 707 OD2 ASP A 45 -1.124 -22.723 -13.890 1.00 51.12 O1- ATOM 0 H ASP A 45 0.237 -19.139 -10.979 1.00 45.32 H new ATOM 0 HA ASP A 45 1.573 -20.653 -13.080 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.335 -22.168 -11.918 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.743 -20.947 -11.271 1.00 64.12 H new ATOM 712 N LEU A 46 0.161 -20.101 -15.117 1.00 52.01 N ATOM 713 CA LEU A 46 -0.423 -19.553 -16.336 1.00 33.22 C ATOM 714 C LEU A 46 -1.489 -20.488 -16.897 1.00 13.22 C ATOM 715 O LEU A 46 -2.300 -20.092 -17.734 1.00 72.41 O ATOM 716 CB LEU A 46 0.665 -19.315 -17.384 1.00 61.21 C ATOM 717 CG LEU A 46 1.854 -20.277 -17.349 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.452 -20.437 -18.737 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.906 -19.788 -16.365 1.00 32.43 C ATOM 0 H LEU A 46 0.716 -20.945 -15.258 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.894 -18.602 -16.088 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.208 -19.370 -18.372 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.042 -18.299 -17.263 1.00 61.21 H new ATOM 0 HG LEU A 46 1.499 -21.252 -17.015 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.296 -21.125 -18.692 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.696 -20.834 -19.415 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.793 -19.467 -19.100 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.745 -20.484 -16.353 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.258 -18.802 -16.668 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.471 -19.727 -15.368 1.00 32.43 H new ATOM 731 N LYS A 47 -1.483 -21.732 -16.428 1.00 32.14 N ATOM 732 CA LYS A 47 -2.451 -22.724 -16.879 1.00 73.41 C ATOM 733 C LYS A 47 -3.867 -22.329 -16.472 1.00 25.15 C ATOM 734 O LYS A 47 -4.782 -22.328 -17.295 1.00 30.54 O ATOM 735 CB LYS A 47 -2.110 -24.100 -16.302 1.00 12.14 C ATOM 736 CG LYS A 47 -0.649 -24.483 -16.468 1.00 71.22 C ATOM 737 CD LYS A 47 -0.501 -25.861 -17.092 1.00 44.04 C ATOM 738 CE LYS A 47 -0.315 -26.935 -16.031 1.00 52.41 C ATOM 739 NZ LYS A 47 0.390 -28.131 -16.570 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.818 -22.076 -15.736 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.404 -22.770 -17.967 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.362 -24.113 -15.242 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.732 -24.853 -16.787 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.147 -23.744 -17.092 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.155 -24.468 -15.496 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.384 -26.088 -17.690 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.353 -25.865 -17.769 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.252 -26.525 -15.195 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -1.288 -27.232 -15.641 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 0.497 -28.840 -15.816 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -0.163 -28.537 -17.351 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.329 -27.852 -16.919 1.00 64.34 H new ATOM 753 N GLN A 48 -4.039 -21.990 -15.198 1.00 45.21 N ATOM 754 CA GLN A 48 -5.343 -21.592 -14.683 1.00 10.22 C ATOM 755 C GLN A 48 -5.360 -20.107 -14.333 1.00 4.23 C ATOM 756 O GLN A 48 -6.383 -19.569 -13.909 1.00 2.01 O ATOM 757 CB GLN A 48 -5.703 -22.422 -13.450 1.00 63.24 C ATOM 758 CG GLN A 48 -5.772 -23.916 -13.721 1.00 72.31 C ATOM 759 CD GLN A 48 -6.266 -24.705 -12.525 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.406 -25.169 -12.501 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.407 -24.860 -11.523 1.00 43.10 N ATOM 0 H GLN A 48 -3.291 -21.983 -14.504 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.083 -21.772 -15.462 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.965 -22.237 -12.669 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.666 -22.086 -13.065 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.433 -24.097 -14.569 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.783 -24.276 -14.005 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.472 -24.458 -11.586 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.683 -25.381 -10.691 1.00 43.10 H new ATOM 770 N LEU A 49 -4.220 -19.449 -14.515 1.00 40.44 N ATOM 771 CA LEU A 49 -4.103 -18.026 -14.218 1.00 12.54 C ATOM 772 C LEU A 49 -4.419 -17.747 -12.752 1.00 71.02 C ATOM 773 O LEU A 49 -5.481 -17.216 -12.424 1.00 2.15 O ATOM 774 CB LEU A 49 -5.042 -17.219 -15.116 1.00 75.10 C ATOM 775 CG LEU A 49 -4.705 -17.215 -16.608 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.240 -16.869 -16.823 1.00 31.41 C ATOM 777 CD2 LEU A 49 -5.035 -18.562 -17.234 1.00 22.10 C ATOM 0 H LEU A 49 -3.364 -19.878 -14.867 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.074 -17.723 -14.412 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.053 -17.608 -14.993 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.052 -16.188 -14.763 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.312 -16.453 -17.096 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.019 -16.871 -17.890 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.035 -15.881 -16.412 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.614 -17.607 -16.321 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.789 -18.540 -18.296 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.455 -19.343 -16.743 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -6.098 -18.769 -17.113 1.00 22.10 H new ATOM 789 N LYS A 50 -3.490 -18.107 -11.874 1.00 54.03 N ATOM 790 CA LYS A 50 -3.665 -17.893 -10.442 1.00 73.12 C ATOM 791 C LYS A 50 -2.355 -17.462 -9.791 1.00 13.13 C ATOM 792 O LYS A 50 -1.337 -17.306 -10.465 1.00 33.05 O ATOM 793 CB LYS A 50 -4.183 -19.169 -9.775 1.00 23.41 C ATOM 794 CG LYS A 50 -3.269 -20.368 -9.962 1.00 12.24 C ATOM 795 CD LYS A 50 -2.371 -20.578 -8.756 1.00 71.24 C ATOM 796 CE LYS A 50 -2.697 -21.878 -8.037 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.607 -23.053 -8.949 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.607 -18.549 -12.129 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.396 -17.096 -10.306 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.313 -18.984 -8.709 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.167 -19.406 -10.179 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.870 -21.262 -10.129 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.657 -20.224 -10.852 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.329 -20.589 -9.075 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.485 -19.741 -8.067 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.010 -22.013 -7.201 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.701 -21.819 -7.618 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.280 -23.883 -8.414 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.544 -23.250 -9.356 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.934 -22.848 -9.715 1.00 41.23 H new ATOM 811 N VAL A 51 -2.387 -17.271 -8.476 1.00 11.01 N ATOM 812 CA VAL A 51 -1.201 -16.861 -7.733 1.00 51.13 C ATOM 813 C VAL A 51 -1.181 -17.485 -6.343 1.00 24.24 C ATOM 814 O VAL A 51 -2.228 -17.723 -5.741 1.00 11.33 O ATOM 815 CB VAL A 51 -1.128 -15.328 -7.596 1.00 74.54 C ATOM 816 CG1 VAL A 51 0.314 -14.878 -7.419 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.761 -14.655 -8.805 1.00 51.31 C ATOM 0 H VAL A 51 -3.222 -17.394 -7.903 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.337 -17.210 -8.298 1.00 51.13 H new ATOM 0 HB VAL A 51 -1.688 -15.031 -6.709 1.00 74.54 H new ATOM 0 HG11 VAL A 51 0.347 -13.793 -7.324 1.00 60.22 H new ATOM 0 HG12 VAL A 51 0.730 -15.334 -6.521 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.900 -15.184 -8.286 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.701 -13.573 -8.692 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -1.230 -14.955 -9.708 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.806 -14.954 -8.882 1.00 51.31 H new ATOM 827 N ASP A 52 0.020 -17.750 -5.838 1.00 34.02 N ATOM 828 CA ASP A 52 0.178 -18.347 -4.517 1.00 10.05 C ATOM 829 C ASP A 52 1.472 -17.875 -3.859 1.00 41.12 C ATOM 830 O ASP A 52 2.332 -17.285 -4.514 1.00 32.23 O ATOM 831 CB ASP A 52 0.169 -19.873 -4.618 1.00 62.44 C ATOM 832 CG ASP A 52 -0.724 -20.373 -5.736 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.200 -20.649 -6.836 1.00 40.15 O ATOM 834 OD2 ASP A 52 -1.946 -20.490 -5.511 1.00 41.01 O1- ATOM 0 H ASP A 52 0.897 -17.561 -6.323 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.661 -18.028 -3.898 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.186 -20.230 -4.782 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.168 -20.295 -3.671 1.00 62.44 H new ATOM 839 N GLN A 53 1.602 -18.140 -2.564 1.00 45.12 N ATOM 840 CA GLN A 53 2.790 -17.741 -1.819 1.00 63.05 C ATOM 841 C GLN A 53 3.791 -18.889 -1.735 1.00 31.52 C ATOM 842 O GLN A 53 3.423 -20.057 -1.854 1.00 43.42 O ATOM 843 CB GLN A 53 2.405 -17.281 -0.412 1.00 21.35 C ATOM 844 CG GLN A 53 3.030 -15.953 -0.014 1.00 51.34 C ATOM 845 CD GLN A 53 3.891 -16.062 1.229 1.00 13.11 C ATOM 846 OE1 GLN A 53 3.418 -15.857 2.347 1.00 31.44 O ATOM 847 NE2 GLN A 53 5.165 -16.387 1.040 1.00 1.42 N ATOM 0 H GLN A 53 0.900 -18.629 -2.009 1.00 45.12 H new ATOM 0 HA GLN A 53 3.259 -16.912 -2.349 1.00 63.05 H new ATOM 0 HB2 GLN A 53 1.320 -17.195 -0.351 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.706 -18.044 0.306 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.636 -15.579 -0.839 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.241 -15.222 0.159 1.00 51.34 H new ATOM 0 HE21 GLN A 53 5.516 -16.548 0.096 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.793 -16.475 1.839 1.00 1.42 H new ATOM 856 N GLY A 54 5.060 -18.548 -1.530 1.00 60.23 N ATOM 857 CA GLY A 54 6.094 -19.561 -1.435 1.00 32.11 C ATOM 858 C GLY A 54 6.659 -19.942 -2.789 1.00 61.12 C ATOM 859 O GLY A 54 6.625 -19.149 -3.730 1.00 34.53 O ATOM 0 H GLY A 54 5.390 -17.588 -1.428 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.900 -19.195 -0.799 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.685 -20.449 -0.953 1.00 32.11 H new ATOM 863 N VAL A 55 7.184 -21.159 -2.889 1.00 63.32 N ATOM 864 CA VAL A 55 7.760 -21.644 -4.138 1.00 0.23 C ATOM 865 C VAL A 55 7.098 -22.943 -4.580 1.00 31.05 C ATOM 866 O VAL A 55 6.689 -23.758 -3.753 1.00 13.53 O ATOM 867 CB VAL A 55 9.277 -21.873 -4.004 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.568 -22.909 -2.929 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.872 -22.297 -5.338 1.00 61.54 C ATOM 0 H VAL A 55 7.222 -21.828 -2.120 1.00 63.32 H new ATOM 0 HA VAL A 55 7.581 -20.875 -4.889 1.00 0.23 H new ATOM 0 HB VAL A 55 9.743 -20.934 -3.706 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.645 -23.057 -2.849 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.177 -22.561 -1.973 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.090 -23.852 -3.194 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.945 -22.454 -5.224 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.402 -23.224 -5.668 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.696 -21.517 -6.079 1.00 61.54 H new ATOM 879 N PHE A 56 6.995 -23.131 -5.892 1.00 21.01 N ATOM 880 CA PHE A 56 6.381 -24.333 -6.447 1.00 21.13 C ATOM 881 C PHE A 56 7.351 -25.510 -6.400 1.00 72.32 C ATOM 882 O PHE A 56 8.564 -25.325 -6.308 1.00 54.15 O ATOM 883 CB PHE A 56 5.934 -24.083 -7.888 1.00 15.22 C ATOM 884 CG PHE A 56 5.063 -25.174 -8.442 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.916 -25.570 -7.773 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.391 -25.803 -9.632 1.00 11.02 C ATOM 887 CE1 PHE A 56 3.112 -26.574 -8.281 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.591 -26.807 -10.145 1.00 40.34 C ATOM 889 CZ PHE A 56 3.450 -27.194 -9.467 1.00 32.22 C ATOM 0 H PHE A 56 7.329 -22.467 -6.591 1.00 21.01 H new ATOM 0 HA PHE A 56 5.509 -24.579 -5.841 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.393 -23.138 -7.933 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.815 -23.976 -8.520 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.647 -25.089 -6.844 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.282 -25.506 -10.165 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.220 -26.873 -7.750 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.857 -27.288 -11.074 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.825 -27.980 -9.864 1.00 32.22 H new ATOM 899 N ALA A 57 6.806 -26.720 -6.464 1.00 32.10 N ATOM 900 CA ALA A 57 7.622 -27.928 -6.430 1.00 4.40 C ATOM 901 C ALA A 57 8.714 -27.882 -7.493 1.00 45.14 C ATOM 902 O ALA A 57 9.797 -28.438 -7.308 1.00 5.11 O ATOM 903 CB ALA A 57 6.749 -29.160 -6.619 1.00 15.14 C ATOM 0 H ALA A 57 5.803 -26.890 -6.540 1.00 32.10 H new ATOM 0 HA ALA A 57 8.104 -27.985 -5.454 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.371 -30.055 -6.591 1.00 15.14 H new ATOM 0 HB2 ALA A 57 6.009 -29.208 -5.820 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.240 -29.101 -7.581 1.00 15.14 H new ATOM 909 N SER A 58 8.422 -27.219 -8.607 1.00 54.32 N ATOM 910 CA SER A 58 9.378 -27.105 -9.703 1.00 12.25 C ATOM 911 C SER A 58 8.809 -26.254 -10.834 1.00 23.03 C ATOM 912 O SER A 58 8.251 -26.762 -11.807 1.00 74.33 O ATOM 913 CB SER A 58 9.749 -28.492 -10.229 1.00 24.15 C ATOM 914 OG SER A 58 10.943 -28.963 -9.629 1.00 63.33 O ATOM 0 H SER A 58 7.531 -26.752 -8.775 1.00 54.32 H new ATOM 0 HA SER A 58 10.275 -26.617 -9.322 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.937 -29.190 -10.027 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.873 -28.453 -11.311 1.00 24.15 H new ATOM 0 HG SER A 58 10.896 -28.831 -8.659 1.00 63.33 H new ATOM 920 N PRO A 59 8.952 -24.926 -10.705 1.00 64.12 N ATOM 921 CA PRO A 59 8.460 -23.976 -11.706 1.00 73.32 C ATOM 922 C PRO A 59 9.259 -24.034 -13.003 1.00 23.22 C ATOM 923 O PRO A 59 10.472 -24.252 -12.987 1.00 4.44 O ATOM 924 CB PRO A 59 8.644 -22.617 -11.025 1.00 61.42 C ATOM 925 CG PRO A 59 9.743 -22.830 -10.044 1.00 4.13 C ATOM 926 CD PRO A 59 9.607 -24.252 -9.571 1.00 10.03 C ATOM 0 HA PRO A 59 7.431 -24.187 -11.997 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.903 -21.844 -11.748 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.728 -22.295 -10.529 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.716 -22.664 -10.506 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.663 -22.132 -9.211 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.577 -24.695 -9.346 1.00 10.03 H new ATOM 0 HD3 PRO A 59 9.007 -24.318 -8.663 1.00 10.03 H new ATOM 934 N ASP A 60 8.574 -23.839 -14.124 1.00 20.31 N ATOM 935 CA ASP A 60 9.222 -23.868 -15.431 1.00 71.05 C ATOM 936 C ASP A 60 10.152 -22.671 -15.603 1.00 72.31 C ATOM 937 O ASP A 60 11.024 -22.670 -16.471 1.00 5.43 O ATOM 938 CB ASP A 60 8.172 -23.878 -16.543 1.00 60.31 C ATOM 939 CG ASP A 60 8.564 -24.776 -17.700 1.00 74.41 C ATOM 940 OD1 ASP A 60 8.454 -26.012 -17.557 1.00 62.40 O ATOM 941 OD2 ASP A 60 8.981 -24.243 -18.750 1.00 72.43 O1- ATOM 0 H ASP A 60 7.570 -23.659 -14.155 1.00 20.31 H new ATOM 0 HA ASP A 60 9.817 -24.779 -15.495 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.218 -24.211 -16.135 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.025 -22.862 -16.909 1.00 60.31 H new ATOM 946 N VAL A 61 9.959 -21.654 -14.770 1.00 23.13 N ATOM 947 CA VAL A 61 10.781 -20.450 -14.831 1.00 4.42 C ATOM 948 C VAL A 61 10.895 -19.795 -13.459 1.00 2.01 C ATOM 949 O VAL A 61 9.958 -19.828 -12.661 1.00 3.25 O ATOM 950 CB VAL A 61 10.207 -19.428 -15.829 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.965 -18.113 -15.743 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.248 -19.984 -17.244 1.00 33.43 C ATOM 0 H VAL A 61 9.241 -21.639 -14.045 1.00 23.13 H new ATOM 0 HA VAL A 61 11.771 -20.758 -15.168 1.00 4.42 H new ATOM 0 HB VAL A 61 9.166 -19.237 -15.568 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.545 -17.404 -16.456 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.879 -17.709 -14.735 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.016 -18.283 -15.977 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.838 -19.248 -17.936 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.279 -20.205 -17.518 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.656 -20.898 -17.293 1.00 33.43 H new ATOM 962 N THR A 62 12.052 -19.197 -13.190 1.00 50.24 N ATOM 963 CA THR A 62 12.292 -18.535 -11.915 1.00 14.23 C ATOM 964 C THR A 62 12.595 -17.053 -12.114 1.00 31.34 C ATOM 965 O THR A 62 13.606 -16.691 -12.715 1.00 52.43 O ATOM 966 CB THR A 62 13.460 -19.187 -11.152 1.00 64.24 C ATOM 967 OG1 THR A 62 13.779 -20.455 -11.737 1.00 4.13 O ATOM 968 CG2 THR A 62 13.111 -19.374 -9.684 1.00 53.40 C ATOM 0 H THR A 62 12.838 -19.158 -13.839 1.00 50.24 H new ATOM 0 HA THR A 62 11.380 -18.643 -11.328 1.00 14.23 H new ATOM 0 HB THR A 62 14.324 -18.527 -11.222 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.592 -20.812 -11.322 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.951 -19.836 -9.166 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.897 -18.404 -9.235 1.00 53.40 H new ATOM 0 HG23 THR A 62 12.234 -20.016 -9.597 1.00 53.40 H new ATOM 976 N VAL A 63 11.711 -16.200 -11.603 1.00 71.42 N ATOM 977 CA VAL A 63 11.886 -14.757 -11.724 1.00 52.44 C ATOM 978 C VAL A 63 12.465 -14.166 -10.444 1.00 12.25 C ATOM 979 O VAL A 63 11.938 -14.381 -9.352 1.00 15.12 O ATOM 980 CB VAL A 63 10.552 -14.056 -12.043 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.780 -12.579 -12.327 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.862 -14.733 -13.219 1.00 54.53 C ATOM 0 H VAL A 63 10.868 -16.483 -11.102 1.00 71.42 H new ATOM 0 HA VAL A 63 12.582 -14.589 -12.546 1.00 52.44 H new ATOM 0 HB VAL A 63 9.901 -14.138 -11.173 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.827 -12.100 -12.550 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.228 -12.105 -11.453 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.449 -12.472 -13.181 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.921 -14.225 -13.431 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.507 -14.683 -14.097 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.664 -15.776 -12.973 1.00 54.53 H new ATOM 992 N THR A 64 13.554 -13.416 -10.585 1.00 21.22 N ATOM 993 CA THR A 64 14.206 -12.792 -9.441 1.00 44.01 C ATOM 994 C THR A 64 14.220 -11.274 -9.575 1.00 25.10 C ATOM 995 O THR A 64 14.954 -10.720 -10.393 1.00 72.04 O ATOM 996 CB THR A 64 15.653 -13.295 -9.276 1.00 34.33 C ATOM 997 OG1 THR A 64 15.942 -14.290 -10.264 1.00 1.35 O ATOM 998 CG2 THR A 64 15.870 -13.875 -7.887 1.00 73.53 C ATOM 0 H THR A 64 14.003 -13.226 -11.481 1.00 21.22 H new ATOM 0 HA THR A 64 13.629 -13.070 -8.559 1.00 44.01 H new ATOM 0 HB THR A 64 16.325 -12.447 -9.407 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.800 -14.716 -10.058 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.899 -14.223 -7.795 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.679 -13.107 -7.138 1.00 73.53 H new ATOM 0 HG23 THR A 64 15.188 -14.711 -7.731 1.00 73.53 H new ATOM 1006 N VAL A 65 13.403 -10.606 -8.767 1.00 24.10 N ATOM 1007 CA VAL A 65 13.323 -9.150 -8.795 1.00 44.40 C ATOM 1008 C VAL A 65 13.358 -8.571 -7.385 1.00 72.43 C ATOM 1009 O VAL A 65 13.036 -9.254 -6.414 1.00 51.43 O ATOM 1010 CB VAL A 65 12.042 -8.672 -9.504 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.815 -8.992 -8.663 1.00 53.11 C ATOM 1012 CG2 VAL A 65 12.122 -7.182 -9.800 1.00 61.51 C ATOM 0 H VAL A 65 12.787 -11.049 -8.085 1.00 24.10 H new ATOM 0 HA VAL A 65 14.191 -8.795 -9.352 1.00 44.40 H new ATOM 0 HB VAL A 65 11.952 -9.203 -10.452 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.920 -8.647 -9.180 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.752 -10.069 -8.507 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.894 -8.490 -7.699 1.00 53.11 H new ATOM 0 HG21 VAL A 65 11.209 -6.861 -10.301 1.00 61.51 H new ATOM 0 HG22 VAL A 65 12.236 -6.631 -8.866 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.978 -6.985 -10.445 1.00 61.51 H new ATOM 1022 N GLY A 66 13.750 -7.304 -7.280 1.00 71.14 N ATOM 1023 CA GLY A 66 13.818 -6.653 -5.986 1.00 41.23 C ATOM 1024 C GLY A 66 12.549 -5.896 -5.649 1.00 23.54 C ATOM 1025 O GLY A 66 11.730 -5.621 -6.527 1.00 73.14 O ATOM 0 H GLY A 66 14.022 -6.718 -8.069 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.006 -7.401 -5.216 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.662 -5.964 -5.974 1.00 41.23 H new ATOM 1029 N LEU A 67 12.383 -5.560 -4.375 1.00 13.24 N ATOM 1030 CA LEU A 67 11.203 -4.831 -3.924 1.00 45.22 C ATOM 1031 C LEU A 67 11.034 -3.531 -4.704 1.00 21.23 C ATOM 1032 O LEU A 67 10.040 -3.344 -5.406 1.00 45.23 O ATOM 1033 CB LEU A 67 11.305 -4.531 -2.427 1.00 52.23 C ATOM 1034 CG LEU A 67 9.980 -4.390 -1.678 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.361 -5.756 -1.426 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.184 -3.645 -0.367 1.00 21.12 C ATOM 0 H LEU A 67 13.050 -5.781 -3.636 1.00 13.24 H new ATOM 0 HA LEU A 67 10.329 -5.457 -4.104 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.882 -5.327 -1.956 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.871 -3.608 -2.300 1.00 52.23 H new ATOM 0 HG LEU A 67 9.295 -3.812 -2.298 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.419 -5.635 -0.892 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.177 -6.253 -2.378 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.043 -6.360 -0.827 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.230 -3.554 0.152 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.887 -4.195 0.259 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.582 -2.651 -0.571 1.00 21.12 H new ATOM 1048 N GLU A 68 12.011 -2.640 -4.577 1.00 23.10 N ATOM 1049 CA GLU A 68 11.970 -1.359 -5.272 1.00 24.34 C ATOM 1050 C GLU A 68 11.688 -1.555 -6.759 1.00 61.31 C ATOM 1051 O GLU A 68 10.907 -0.814 -7.357 1.00 21.23 O ATOM 1052 CB GLU A 68 13.292 -0.611 -5.087 1.00 2.03 C ATOM 1053 CG GLU A 68 13.679 -0.408 -3.632 1.00 62.33 C ATOM 1054 CD GLU A 68 14.266 0.966 -3.370 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.218 1.348 -4.082 1.00 72.13 O ATOM 1056 OE2 GLU A 68 13.773 1.657 -2.454 1.00 60.41 O1- ATOM 0 H GLU A 68 12.840 -2.781 -4.000 1.00 23.10 H new ATOM 0 HA GLU A 68 11.162 -0.767 -4.842 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.085 -1.163 -5.591 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.221 0.361 -5.574 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.800 -0.549 -3.003 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.403 -1.169 -3.343 1.00 62.33 H new ATOM 1063 N ASP A 69 12.329 -2.558 -7.349 1.00 20.45 N ATOM 1064 CA ASP A 69 12.147 -2.853 -8.766 1.00 42.22 C ATOM 1065 C ASP A 69 10.668 -3.032 -9.098 1.00 43.43 C ATOM 1066 O ASP A 69 10.150 -2.408 -10.024 1.00 14.14 O ATOM 1067 CB ASP A 69 12.924 -4.112 -9.150 1.00 71.20 C ATOM 1068 CG ASP A 69 14.415 -3.966 -8.915 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.867 -2.831 -8.657 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.129 -4.988 -8.989 1.00 23.21 O1- ATOM 0 H ASP A 69 12.979 -3.180 -6.869 1.00 20.45 H new ATOM 0 HA ASP A 69 12.531 -2.009 -9.340 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.549 -4.957 -8.573 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.745 -4.339 -10.201 1.00 71.20 H new ATOM 1075 N MET A 70 9.995 -3.888 -8.337 1.00 54.02 N ATOM 1076 CA MET A 70 8.576 -4.149 -8.551 1.00 40.11 C ATOM 1077 C MET A 70 7.739 -2.928 -8.187 1.00 33.44 C ATOM 1078 O MET A 70 6.865 -2.512 -8.949 1.00 2.01 O ATOM 1079 CB MET A 70 8.127 -5.355 -7.724 1.00 64.44 C ATOM 1080 CG MET A 70 8.661 -6.681 -8.244 1.00 53.12 C ATOM 1081 SD MET A 70 7.564 -8.063 -7.877 1.00 44.35 S ATOM 1082 CE MET A 70 7.135 -8.604 -9.529 1.00 74.02 C ATOM 0 H MET A 70 10.409 -4.413 -7.567 1.00 54.02 H new ATOM 0 HA MET A 70 8.427 -4.368 -9.608 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.454 -5.220 -6.693 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.038 -5.391 -7.711 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.805 -6.613 -9.322 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.640 -6.872 -7.804 1.00 53.12 H new ATOM 0 HE1 MET A 70 6.316 -9.321 -9.476 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.827 -7.745 -10.125 1.00 74.02 H new ATOM 0 HE3 MET A 70 8.001 -9.076 -9.993 1.00 74.02 H new ATOM 1092 N LEU A 71 8.009 -2.358 -7.018 1.00 4.41 N ATOM 1093 CA LEU A 71 7.279 -1.184 -6.553 1.00 52.32 C ATOM 1094 C LEU A 71 7.281 -0.086 -7.611 1.00 50.24 C ATOM 1095 O LEU A 71 6.287 0.616 -7.794 1.00 51.41 O ATOM 1096 CB LEU A 71 7.896 -0.657 -5.255 1.00 73.33 C ATOM 1097 CG LEU A 71 7.906 -1.629 -4.074 1.00 72.22 C ATOM 1098 CD1 LEU A 71 9.023 -1.277 -3.104 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.560 -1.623 -3.366 1.00 30.51 C ATOM 0 H LEU A 71 8.728 -2.690 -6.375 1.00 4.41 H new ATOM 0 HA LEU A 71 6.247 -1.480 -6.365 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.923 -0.356 -5.461 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.354 0.240 -4.957 1.00 73.33 H new ATOM 0 HG LEU A 71 8.087 -2.634 -4.456 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.015 -1.979 -2.270 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.983 -1.335 -3.618 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.873 -0.265 -2.728 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.586 -2.320 -2.529 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.348 -0.620 -2.996 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.780 -1.924 -4.065 1.00 30.51 H new ATOM 1111 N ALA A 72 8.404 0.056 -8.308 1.00 72.12 N ATOM 1112 CA ALA A 72 8.534 1.065 -9.352 1.00 10.33 C ATOM 1113 C ALA A 72 7.509 0.844 -10.459 1.00 3.31 C ATOM 1114 O ALA A 72 6.911 1.795 -10.962 1.00 20.22 O ATOM 1115 CB ALA A 72 9.943 1.053 -9.925 1.00 1.25 C ATOM 0 H ALA A 72 9.237 -0.516 -8.168 1.00 72.12 H new ATOM 0 HA ALA A 72 8.344 2.041 -8.906 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.026 1.811 -10.704 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.660 1.267 -9.132 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.154 0.072 -10.350 1.00 1.25 H new ATOM 1121 N ILE A 73 7.313 -0.415 -10.834 1.00 10.35 N ATOM 1122 CA ILE A 73 6.359 -0.760 -11.882 1.00 70.44 C ATOM 1123 C ILE A 73 4.926 -0.521 -11.421 1.00 3.41 C ATOM 1124 O ILE A 73 4.220 0.326 -11.969 1.00 51.33 O ATOM 1125 CB ILE A 73 6.509 -2.230 -12.317 1.00 2.34 C ATOM 1126 CG1 ILE A 73 7.987 -2.588 -12.483 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.750 -2.479 -13.613 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.214 -3.961 -13.073 1.00 20.44 C ATOM 0 H ILE A 73 7.801 -1.213 -10.428 1.00 10.35 H new ATOM 0 HA ILE A 73 6.576 -0.114 -12.733 1.00 70.44 H new ATOM 0 HB ILE A 73 6.085 -2.868 -11.541 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.463 -1.844 -13.122 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.477 -2.534 -11.511 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.865 -3.522 -13.908 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.693 -2.259 -13.464 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.147 -1.834 -14.397 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.284 -4.146 -13.162 1.00 20.44 H new ATOM 0 HD12 ILE A 73 7.768 -4.714 -12.424 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.754 -4.014 -14.060 1.00 20.44 H new ATOM 1140 N SER A 74 4.502 -1.272 -10.411 1.00 34.22 N ATOM 1141 CA SER A 74 3.151 -1.144 -9.876 1.00 34.44 C ATOM 1142 C SER A 74 2.863 0.297 -9.466 1.00 12.00 C ATOM 1143 O SER A 74 1.718 0.743 -9.488 1.00 4.54 O ATOM 1144 CB SER A 74 2.964 -2.075 -8.676 1.00 32.15 C ATOM 1145 OG SER A 74 1.957 -1.589 -7.806 1.00 43.53 O ATOM 0 H SER A 74 5.074 -1.976 -9.946 1.00 34.22 H new ATOM 0 HA SER A 74 2.448 -1.428 -10.660 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.698 -3.073 -9.024 1.00 32.15 H new ATOM 0 HB3 SER A 74 3.905 -2.167 -8.133 1.00 32.15 H new ATOM 0 HG SER A 74 1.856 -2.202 -7.048 1.00 43.53 H new ATOM 1151 N GLY A 75 3.915 1.019 -9.091 1.00 30.23 N ATOM 1152 CA GLY A 75 3.756 2.403 -8.681 1.00 71.54 C ATOM 1153 C GLY A 75 3.656 3.349 -9.860 1.00 52.41 C ATOM 1154 O GLY A 75 3.783 4.564 -9.703 1.00 72.55 O ATOM 0 H GLY A 75 4.873 0.671 -9.064 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.860 2.496 -8.067 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.601 2.693 -8.057 1.00 71.54 H new ATOM 1158 N LYS A 76 3.431 2.793 -11.046 1.00 72.22 N ATOM 1159 CA LYS A 76 3.315 3.596 -12.258 1.00 63.32 C ATOM 1160 C LYS A 76 4.458 4.601 -12.357 1.00 4.25 C ATOM 1161 O LYS A 76 4.296 5.690 -12.908 1.00 51.51 O ATOM 1162 CB LYS A 76 1.972 4.331 -12.281 1.00 43.21 C ATOM 1163 CG LYS A 76 1.882 5.464 -11.274 1.00 10.13 C ATOM 1164 CD LYS A 76 0.808 6.467 -11.659 1.00 41.34 C ATOM 1165 CE LYS A 76 -0.015 6.893 -10.452 1.00 40.22 C ATOM 1166 NZ LYS A 76 -1.327 6.191 -10.399 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.325 1.789 -11.194 1.00 72.22 H new ATOM 0 HA LYS A 76 3.370 2.925 -13.115 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.803 4.731 -13.281 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.173 3.616 -12.084 1.00 43.21 H new ATOM 0 HG2 LYS A 76 1.665 5.058 -10.286 1.00 10.13 H new ATOM 0 HG3 LYS A 76 2.845 5.969 -11.206 1.00 10.13 H new ATOM 0 HD2 LYS A 76 1.272 7.343 -12.112 1.00 41.34 H new ATOM 0 HD3 LYS A 76 0.152 6.029 -12.412 1.00 41.34 H new ATOM 0 HE2 LYS A 76 0.545 6.686 -9.540 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -0.181 7.970 -10.487 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -1.857 6.509 -9.563 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.872 6.408 -11.258 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -1.169 5.165 -10.340 1.00 53.25 H new ATOM 1180 N THR A 77 5.616 4.228 -11.820 1.00 13.43 N ATOM 1181 CA THR A 77 6.786 5.095 -11.848 1.00 43.43 C ATOM 1182 C THR A 77 7.811 4.604 -12.864 1.00 63.21 C ATOM 1183 O THR A 77 8.514 5.401 -13.487 1.00 21.54 O ATOM 1184 CB THR A 77 7.454 5.183 -10.464 1.00 71.41 C ATOM 1185 OG1 THR A 77 8.080 3.936 -10.141 1.00 24.34 O ATOM 1186 CG2 THR A 77 6.434 5.536 -9.392 1.00 61.23 C ATOM 0 H THR A 77 5.768 3.330 -11.360 1.00 13.43 H new ATOM 0 HA THR A 77 6.437 6.086 -12.138 1.00 43.43 H new ATOM 0 HB THR A 77 8.208 5.969 -10.499 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.439 3.206 -10.269 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.930 5.592 -8.423 1.00 61.23 H new ATOM 0 HG22 THR A 77 5.981 6.500 -9.624 1.00 61.23 H new ATOM 0 HG23 THR A 77 5.660 4.769 -9.360 1.00 61.23 H new ATOM 1194 N LEU A 78 7.890 3.288 -13.028 1.00 61.23 N ATOM 1195 CA LEU A 78 8.830 2.689 -13.971 1.00 64.41 C ATOM 1196 C LEU A 78 8.130 1.668 -14.862 1.00 4.21 C ATOM 1197 O LEU A 78 6.984 1.293 -14.614 1.00 64.35 O ATOM 1198 CB LEU A 78 9.982 2.022 -13.218 1.00 40.00 C ATOM 1199 CG LEU A 78 11.311 1.930 -13.968 1.00 14.14 C ATOM 1200 CD1 LEU A 78 12.441 2.496 -13.124 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.604 0.490 -14.360 1.00 52.03 C ATOM 0 H LEU A 78 7.315 2.615 -12.521 1.00 61.23 H new ATOM 0 HA LEU A 78 9.229 3.482 -14.603 1.00 64.41 H new ATOM 0 HB2 LEU A 78 10.149 2.570 -12.290 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.673 1.014 -12.942 1.00 40.00 H new ATOM 0 HG LEU A 78 11.234 2.524 -14.879 1.00 14.14 H new ATOM 0 HD11 LEU A 78 13.379 2.422 -13.675 1.00 21.42 H new ATOM 0 HD12 LEU A 78 12.236 3.542 -12.896 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.520 1.931 -12.195 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.554 0.444 -14.893 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.661 -0.127 -13.463 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.808 0.119 -15.005 1.00 52.03 H new ATOM 1213 N THR A 79 8.829 1.220 -15.901 1.00 53.44 N ATOM 1214 CA THR A 79 8.276 0.243 -16.829 1.00 2.24 C ATOM 1215 C THR A 79 9.141 -1.012 -16.884 1.00 31.21 C ATOM 1216 O THR A 79 10.358 -0.948 -16.713 1.00 53.42 O ATOM 1217 CB THR A 79 8.146 0.826 -18.249 1.00 73.11 C ATOM 1218 OG1 THR A 79 9.422 1.284 -18.708 1.00 25.35 O ATOM 1219 CG2 THR A 79 7.150 1.975 -18.272 1.00 71.32 C ATOM 0 H THR A 79 9.779 1.519 -16.120 1.00 53.44 H new ATOM 0 HA THR A 79 7.284 -0.017 -16.460 1.00 2.24 H new ATOM 0 HB THR A 79 7.784 0.039 -18.910 1.00 73.11 H new ATOM 0 HG1 THR A 79 9.332 1.652 -19.612 1.00 25.35 H new ATOM 0 HG21 THR A 79 7.075 2.371 -19.285 1.00 71.32 H new ATOM 0 HG22 THR A 79 6.173 1.616 -17.949 1.00 71.32 H new ATOM 0 HG23 THR A 79 7.488 2.763 -17.599 1.00 71.32 H new ATOM 1227 N VAL A 80 8.504 -2.154 -17.125 1.00 5.33 N ATOM 1228 CA VAL A 80 9.215 -3.424 -17.205 1.00 10.20 C ATOM 1229 C VAL A 80 10.391 -3.335 -18.171 1.00 63.11 C ATOM 1230 O VAL A 80 11.471 -3.859 -17.901 1.00 72.02 O ATOM 1231 CB VAL A 80 8.281 -4.563 -17.655 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.049 -5.871 -17.767 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.111 -4.702 -16.693 1.00 54.23 C ATOM 0 H VAL A 80 7.497 -2.225 -17.268 1.00 5.33 H new ATOM 0 HA VAL A 80 9.586 -3.643 -16.204 1.00 10.20 H new ATOM 0 HB VAL A 80 7.885 -4.318 -18.640 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.373 -6.664 -18.086 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.850 -5.761 -18.498 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.476 -6.127 -16.797 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.461 -5.511 -17.025 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.486 -4.925 -15.694 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.547 -3.770 -16.669 1.00 54.23 H new ATOM 1243 N GLY A 81 10.174 -2.666 -19.300 1.00 1.42 N ATOM 1244 CA GLY A 81 11.226 -2.520 -20.290 1.00 4.53 C ATOM 1245 C GLY A 81 12.464 -1.852 -19.725 1.00 72.43 C ATOM 1246 O GLY A 81 13.585 -2.301 -19.966 1.00 54.32 O ATOM 0 H GLY A 81 9.289 -2.223 -19.547 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.493 -3.502 -20.680 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.852 -1.934 -21.130 1.00 4.53 H new ATOM 1250 N ASP A 82 12.263 -0.775 -18.974 1.00 14.13 N ATOM 1251 CA ASP A 82 13.372 -0.043 -18.374 1.00 21.43 C ATOM 1252 C ASP A 82 14.127 -0.919 -17.378 1.00 23.42 C ATOM 1253 O ASP A 82 15.350 -1.034 -17.441 1.00 72.21 O ATOM 1254 CB ASP A 82 12.861 1.218 -17.677 1.00 22.14 C ATOM 1255 CG ASP A 82 13.189 2.481 -18.450 1.00 13.02 C ATOM 1256 OD1 ASP A 82 14.315 2.998 -18.293 1.00 14.15 O ATOM 1257 OD2 ASP A 82 12.320 2.951 -19.214 1.00 41.32 O1- ATOM 0 H ASP A 82 11.342 -0.389 -18.766 1.00 14.13 H new ATOM 0 HA ASP A 82 14.058 0.244 -19.171 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.781 1.145 -17.547 1.00 22.14 H new ATOM 0 HB3 ASP A 82 13.299 1.281 -16.681 1.00 22.14 H new ATOM 1262 N ALA A 83 13.388 -1.534 -16.461 1.00 45.42 N ATOM 1263 CA ALA A 83 13.987 -2.400 -15.452 1.00 21.54 C ATOM 1264 C ALA A 83 14.791 -3.521 -16.100 1.00 74.42 C ATOM 1265 O ALA A 83 15.822 -3.944 -15.573 1.00 71.11 O ATOM 1266 CB ALA A 83 12.910 -2.976 -14.545 1.00 12.34 C ATOM 0 H ALA A 83 12.374 -1.449 -16.396 1.00 45.42 H new ATOM 0 HA ALA A 83 14.669 -1.799 -14.851 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.371 -3.620 -13.797 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.380 -2.163 -14.048 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.206 -3.557 -15.140 1.00 12.34 H new ATOM 1272 N LEU A 84 14.316 -4.000 -17.245 1.00 41.30 N ATOM 1273 CA LEU A 84 14.992 -5.074 -17.965 1.00 72.41 C ATOM 1274 C LEU A 84 16.391 -4.645 -18.394 1.00 23.24 C ATOM 1275 O LEU A 84 17.373 -5.340 -18.131 1.00 61.34 O ATOM 1276 CB LEU A 84 14.174 -5.485 -19.190 1.00 54.12 C ATOM 1277 CG LEU A 84 13.799 -6.966 -19.281 1.00 10.02 C ATOM 1278 CD1 LEU A 84 15.045 -7.823 -19.429 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.001 -7.390 -18.056 1.00 24.15 C ATOM 0 H LEU A 84 13.465 -3.662 -17.695 1.00 41.30 H new ATOM 0 HA LEU A 84 15.084 -5.928 -17.294 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.256 -4.897 -19.203 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.737 -5.218 -20.084 1.00 54.12 H new ATOM 0 HG LEU A 84 13.176 -7.110 -20.164 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.759 -8.873 -19.492 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.578 -7.537 -20.336 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.693 -7.675 -18.565 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.743 -8.446 -18.138 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.599 -7.231 -17.159 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.088 -6.797 -17.993 1.00 24.15 H new ATOM 1291 N LYS A 85 16.476 -3.495 -19.054 1.00 13.23 N ATOM 1292 CA LYS A 85 17.755 -2.971 -19.517 1.00 53.44 C ATOM 1293 C LYS A 85 18.764 -2.912 -18.375 1.00 73.11 C ATOM 1294 O LYS A 85 19.908 -3.342 -18.522 1.00 1.12 O ATOM 1295 CB LYS A 85 17.570 -1.577 -20.121 1.00 25.42 C ATOM 1296 CG LYS A 85 18.412 -1.335 -21.361 1.00 52.24 C ATOM 1297 CD LYS A 85 19.895 -1.304 -21.031 1.00 12.13 C ATOM 1298 CE LYS A 85 20.686 -0.552 -22.090 1.00 30.01 C ATOM 1299 NZ LYS A 85 21.759 -1.395 -22.686 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.673 -2.908 -19.280 1.00 13.23 H new ATOM 0 HA LYS A 85 18.139 -3.644 -20.283 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.519 -1.436 -20.373 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.821 -0.828 -19.370 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.218 -2.119 -22.093 1.00 52.24 H new ATOM 0 HG3 LYS A 85 18.121 -0.391 -21.821 1.00 52.24 H new ATOM 0 HD2 LYS A 85 20.043 -0.831 -20.060 1.00 12.13 H new ATOM 0 HD3 LYS A 85 20.272 -2.323 -20.949 1.00 12.13 H new ATOM 0 HE2 LYS A 85 20.010 -0.215 -22.876 1.00 30.01 H new ATOM 0 HE3 LYS A 85 21.129 0.340 -21.647 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 22.274 -0.845 -23.403 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 22.419 -1.696 -21.940 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 21.335 -2.233 -23.132 1.00 0.02 H new ATOM 1313 N GLN A 86 18.333 -2.378 -17.237 1.00 11.43 N ATOM 1314 CA GLN A 86 19.200 -2.264 -16.070 1.00 53.23 C ATOM 1315 C GLN A 86 19.485 -3.636 -15.468 1.00 21.22 C ATOM 1316 O GLN A 86 20.465 -3.816 -14.747 1.00 41.42 O ATOM 1317 CB GLN A 86 18.558 -1.357 -15.018 1.00 12.42 C ATOM 1318 CG GLN A 86 17.975 -0.077 -15.594 1.00 73.05 C ATOM 1319 CD GLN A 86 17.738 0.985 -14.537 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.614 1.802 -14.255 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.549 0.976 -13.946 1.00 61.43 N ATOM 0 H GLN A 86 17.389 -2.018 -17.098 1.00 11.43 H new ATOM 0 HA GLN A 86 20.144 -1.825 -16.392 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.769 -1.909 -14.507 1.00 12.42 H new ATOM 0 HB3 GLN A 86 19.305 -1.101 -14.267 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.651 0.316 -16.353 1.00 73.05 H new ATOM 0 HG3 GLN A 86 17.033 -0.304 -16.093 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.853 0.280 -14.212 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.332 1.665 -13.226 1.00 61.43 H new ATOM 1330 N GLY A 87 18.623 -4.601 -15.771 1.00 0.43 N ATOM 1331 CA GLY A 87 18.800 -5.944 -15.251 1.00 2.32 C ATOM 1332 C GLY A 87 18.221 -6.109 -13.860 1.00 44.42 C ATOM 1333 O GLY A 87 18.854 -6.693 -12.981 1.00 32.22 O ATOM 0 H GLY A 87 17.805 -4.477 -16.367 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.325 -6.657 -15.925 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.863 -6.185 -15.229 1.00 2.32 H new ATOM 1337 N LYS A 88 17.014 -5.592 -13.657 1.00 21.33 N ATOM 1338 CA LYS A 88 16.348 -5.682 -12.364 1.00 11.34 C ATOM 1339 C LYS A 88 15.778 -7.080 -12.143 1.00 1.12 C ATOM 1340 O LYS A 88 15.730 -7.569 -11.014 1.00 61.44 O ATOM 1341 CB LYS A 88 15.230 -4.642 -12.268 1.00 75.34 C ATOM 1342 CG LYS A 88 15.697 -3.221 -12.533 1.00 24.51 C ATOM 1343 CD LYS A 88 16.276 -2.583 -11.282 1.00 73.13 C ATOM 1344 CE LYS A 88 17.715 -2.138 -11.499 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.262 -1.430 -10.309 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.476 -5.105 -14.374 1.00 21.33 H new ATOM 0 HA LYS A 88 17.087 -5.483 -11.588 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.446 -4.897 -12.981 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.785 -4.690 -11.274 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.449 -3.225 -13.322 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.860 -2.623 -12.894 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.668 -1.725 -10.995 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.234 -3.294 -10.457 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.334 -3.007 -11.721 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.765 -1.481 -12.367 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.244 -1.143 -10.497 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.686 -0.586 -10.112 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.238 -2.065 -9.486 1.00 30.44 H new ATOM 1359 N ILE A 89 15.349 -7.717 -13.226 1.00 4.34 N ATOM 1360 CA ILE A 89 14.784 -9.059 -13.150 1.00 61.10 C ATOM 1361 C ILE A 89 15.764 -10.098 -13.686 1.00 40.34 C ATOM 1362 O ILE A 89 16.315 -9.942 -14.774 1.00 73.31 O ATOM 1363 CB ILE A 89 13.464 -9.160 -13.937 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.529 -8.010 -13.557 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.796 -10.501 -13.679 1.00 22.12 C ATOM 1366 CD1 ILE A 89 12.139 -7.135 -14.728 1.00 63.11 C ATOM 0 H ILE A 89 15.382 -7.326 -14.167 1.00 4.34 H new ATOM 0 HA ILE A 89 14.585 -9.259 -12.097 1.00 61.10 H new ATOM 0 HB ILE A 89 13.686 -9.086 -15.002 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.626 -8.421 -13.105 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.013 -7.394 -12.799 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.864 -10.558 -14.242 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.460 -11.305 -13.995 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.584 -10.603 -12.615 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.476 -6.341 -14.384 1.00 63.11 H new ATOM 0 HD12 ILE A 89 13.034 -6.695 -15.167 1.00 63.11 H new ATOM 0 HD13 ILE A 89 11.626 -7.738 -15.477 1.00 63.11 H new ATOM 1378 N GLU A 90 15.973 -11.159 -12.913 1.00 44.31 N ATOM 1379 CA GLU A 90 16.885 -12.225 -13.311 1.00 3.44 C ATOM 1380 C GLU A 90 16.137 -13.338 -14.038 1.00 63.21 C ATOM 1381 O GLU A 90 14.960 -13.588 -13.773 1.00 12.42 O ATOM 1382 CB GLU A 90 17.603 -12.796 -12.086 1.00 21.54 C ATOM 1383 CG GLU A 90 19.088 -12.474 -12.048 1.00 21.32 C ATOM 1384 CD GLU A 90 19.952 -13.719 -11.980 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.596 -14.724 -12.632 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.983 -13.689 -11.277 1.00 73.11 O1- ATOM 0 H GLU A 90 15.524 -11.303 -12.009 1.00 44.31 H new ATOM 0 HA GLU A 90 17.623 -11.801 -13.992 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.132 -12.406 -11.184 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.474 -13.878 -12.071 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.354 -11.899 -12.935 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.297 -11.843 -11.184 1.00 21.32 H new ATOM 1393 N LEU A 91 16.826 -14.002 -14.960 1.00 41.35 N ATOM 1394 CA LEU A 91 16.228 -15.089 -15.728 1.00 12.31 C ATOM 1395 C LEU A 91 16.811 -16.436 -15.312 1.00 71.23 C ATOM 1396 O LEU A 91 18.023 -16.643 -15.370 1.00 24.34 O ATOM 1397 CB LEU A 91 16.450 -14.864 -17.225 1.00 34.35 C ATOM 1398 CG LEU A 91 15.961 -13.527 -17.783 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.392 -13.363 -19.231 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.447 -13.420 -17.660 1.00 15.23 C ATOM 0 H LEU A 91 17.799 -13.807 -15.194 1.00 41.35 H new ATOM 0 HA LEU A 91 15.157 -15.099 -15.523 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.517 -14.952 -17.431 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.953 -15.666 -17.770 1.00 34.35 H new ATOM 0 HG LEU A 91 16.411 -12.725 -17.199 1.00 43.14 H new ATOM 0 HD11 LEU A 91 16.035 -12.406 -19.611 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.480 -13.395 -19.293 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.971 -14.171 -19.830 1.00 21.14 H new ATOM 0 HD21 LEU A 91 14.116 -12.462 -18.062 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.978 -14.230 -18.219 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.161 -13.491 -16.611 1.00 15.23 H new ATOM 1412 N SER A 92 15.940 -17.348 -14.895 1.00 62.30 N ATOM 1413 CA SER A 92 16.369 -18.675 -14.468 1.00 12.01 C ATOM 1414 C SER A 92 15.447 -19.752 -15.033 1.00 53.43 C ATOM 1415 O SER A 92 14.287 -19.861 -14.638 1.00 42.11 O ATOM 1416 CB SER A 92 16.395 -18.759 -12.941 1.00 32.04 C ATOM 1417 OG SER A 92 16.042 -17.518 -12.356 1.00 24.24 O ATOM 0 H SER A 92 14.933 -17.193 -14.843 1.00 62.30 H new ATOM 0 HA SER A 92 17.375 -18.845 -14.851 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.705 -19.533 -12.604 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.390 -19.052 -12.607 1.00 32.04 H new ATOM 0 HG SER A 92 15.106 -17.314 -12.561 1.00 24.24 H new ATOM 1423 N GLY A 93 15.974 -20.546 -15.960 1.00 72.14 N ATOM 1424 CA GLY A 93 15.186 -21.604 -16.565 1.00 41.14 C ATOM 1425 C GLY A 93 14.866 -21.329 -18.020 1.00 52.41 C ATOM 1426 O GLY A 93 15.551 -21.821 -18.917 1.00 72.03 O ATOM 0 H GLY A 93 16.932 -20.476 -16.303 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.728 -22.546 -16.487 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.257 -21.724 -16.008 1.00 41.14 H new ATOM 1430 N ASP A 94 13.822 -20.543 -18.256 1.00 50.01 N ATOM 1431 CA ASP A 94 13.411 -20.204 -19.614 1.00 42.00 C ATOM 1432 C ASP A 94 13.077 -18.719 -19.726 1.00 61.22 C ATOM 1433 O ASP A 94 11.979 -18.292 -19.371 1.00 24.31 O ATOM 1434 CB ASP A 94 12.203 -21.044 -20.030 1.00 44.20 C ATOM 1435 CG ASP A 94 12.399 -21.714 -21.376 1.00 62.13 C ATOM 1436 OD1 ASP A 94 12.399 -22.962 -21.423 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.551 -20.990 -22.382 1.00 42.01 O1- ATOM 0 H ASP A 94 13.244 -20.128 -17.525 1.00 50.01 H new ATOM 0 HA ASP A 94 14.243 -20.423 -20.284 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.015 -21.805 -19.273 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.318 -20.408 -20.069 1.00 44.20 H new ATOM 1442 N ALA A 95 14.033 -17.939 -20.221 1.00 52.22 N ATOM 1443 CA ALA A 95 13.839 -16.503 -20.380 1.00 61.03 C ATOM 1444 C ALA A 95 12.648 -16.206 -21.285 1.00 63.24 C ATOM 1445 O ALA A 95 12.052 -15.131 -21.210 1.00 24.01 O ATOM 1446 CB ALA A 95 15.101 -15.859 -20.937 1.00 22.22 C ATOM 0 H ALA A 95 14.948 -18.277 -20.518 1.00 52.22 H new ATOM 0 HA ALA A 95 13.630 -16.079 -19.398 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.942 -14.787 -21.051 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.931 -16.032 -20.252 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.335 -16.296 -21.908 1.00 22.22 H new ATOM 1452 N ASP A 96 12.305 -17.165 -22.138 1.00 31.21 N ATOM 1453 CA ASP A 96 11.185 -17.006 -23.057 1.00 63.04 C ATOM 1454 C ASP A 96 9.862 -16.960 -22.298 1.00 71.11 C ATOM 1455 O ASP A 96 9.074 -16.026 -22.458 1.00 42.54 O ATOM 1456 CB ASP A 96 11.164 -18.150 -24.072 1.00 13.52 C ATOM 1457 CG ASP A 96 10.682 -17.703 -25.439 1.00 14.13 C ATOM 1458 OD1 ASP A 96 11.250 -18.165 -26.450 1.00 42.02 O ATOM 1459 OD2 ASP A 96 9.735 -16.891 -25.496 1.00 51.14 O1- ATOM 0 H ASP A 96 12.787 -18.061 -22.212 1.00 31.21 H new ATOM 0 HA ASP A 96 11.313 -16.062 -23.587 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.166 -18.570 -24.163 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.517 -18.946 -23.704 1.00 13.52 H new ATOM 1464 N LEU A 97 9.624 -17.974 -21.472 1.00 21.24 N ATOM 1465 CA LEU A 97 8.396 -18.049 -20.688 1.00 53.03 C ATOM 1466 C LEU A 97 8.199 -16.783 -19.861 1.00 34.03 C ATOM 1467 O LEU A 97 7.093 -16.250 -19.778 1.00 22.40 O ATOM 1468 CB LEU A 97 8.429 -19.271 -19.770 1.00 23.04 C ATOM 1469 CG LEU A 97 7.278 -20.265 -19.934 1.00 32.22 C ATOM 1470 CD1 LEU A 97 5.938 -19.554 -19.814 1.00 33.50 C ATOM 1471 CD2 LEU A 97 7.383 -20.988 -21.269 1.00 13.34 C ATOM 0 H LEU A 97 10.265 -18.755 -21.328 1.00 21.24 H new ATOM 0 HA LEU A 97 7.558 -18.143 -21.379 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.367 -19.801 -19.937 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.439 -18.924 -18.737 1.00 23.04 H new ATOM 0 HG LEU A 97 7.346 -21.005 -19.137 1.00 32.22 H new ATOM 0 HD11 LEU A 97 5.131 -20.277 -19.933 1.00 33.50 H new ATOM 0 HD12 LEU A 97 5.862 -19.084 -18.834 1.00 33.50 H new ATOM 0 HD13 LEU A 97 5.860 -18.792 -20.589 1.00 33.50 H new ATOM 0 HD21 LEU A 97 6.556 -21.691 -21.368 1.00 13.34 H new ATOM 0 HD22 LEU A 97 7.341 -20.262 -22.081 1.00 13.34 H new ATOM 0 HD23 LEU A 97 8.327 -21.530 -21.316 1.00 13.34 H new ATOM 1483 N ALA A 98 9.279 -16.305 -19.253 1.00 51.02 N ATOM 1484 CA ALA A 98 9.226 -15.099 -18.436 1.00 72.21 C ATOM 1485 C ALA A 98 9.079 -13.854 -19.304 1.00 74.34 C ATOM 1486 O ALA A 98 8.305 -12.952 -18.987 1.00 70.15 O ATOM 1487 CB ALA A 98 10.471 -14.995 -17.567 1.00 43.44 C ATOM 0 H ALA A 98 10.202 -16.735 -19.311 1.00 51.02 H new ATOM 0 HA ALA A 98 8.350 -15.165 -17.790 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.418 -14.090 -16.962 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.532 -15.865 -16.913 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.356 -14.956 -18.202 1.00 43.44 H new ATOM 1493 N ALA A 99 9.828 -13.811 -20.401 1.00 41.25 N ATOM 1494 CA ALA A 99 9.781 -12.677 -21.315 1.00 41.24 C ATOM 1495 C ALA A 99 8.365 -12.452 -21.836 1.00 64.45 C ATOM 1496 O ALA A 99 7.886 -11.318 -21.892 1.00 63.22 O ATOM 1497 CB ALA A 99 10.742 -12.891 -22.473 1.00 14.33 C ATOM 0 H ALA A 99 10.475 -14.549 -20.678 1.00 41.25 H new ATOM 0 HA ALA A 99 10.085 -11.786 -20.765 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.696 -12.036 -23.147 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.757 -12.996 -22.089 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.464 -13.795 -23.014 1.00 14.33 H new ATOM 1503 N LYS A 100 7.700 -13.537 -22.216 1.00 1.23 N ATOM 1504 CA LYS A 100 6.338 -13.459 -22.731 1.00 72.44 C ATOM 1505 C LYS A 100 5.434 -12.696 -21.768 1.00 13.34 C ATOM 1506 O LYS A 100 4.582 -11.912 -22.189 1.00 61.21 O ATOM 1507 CB LYS A 100 5.778 -14.864 -22.968 1.00 31.43 C ATOM 1508 CG LYS A 100 4.366 -14.870 -23.527 1.00 4.53 C ATOM 1509 CD LYS A 100 4.355 -15.221 -25.006 1.00 22.41 C ATOM 1510 CE LYS A 100 2.937 -15.424 -25.518 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.548 -14.379 -26.505 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.082 -14.482 -22.177 1.00 1.23 H new ATOM 0 HA LYS A 100 6.366 -12.921 -23.679 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.434 -15.396 -23.656 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.790 -15.414 -22.027 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.759 -15.589 -22.977 1.00 4.53 H new ATOM 0 HG3 LYS A 100 3.911 -13.890 -23.381 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.838 -14.426 -25.574 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.936 -16.128 -25.170 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.855 -16.408 -25.980 1.00 35.11 H new ATOM 0 HE3 LYS A 100 2.242 -15.407 -24.678 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 1.575 -14.553 -26.830 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 2.601 -13.442 -26.057 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.195 -14.412 -27.318 1.00 40.13 H new ATOM 1525 N LEU A 101 5.625 -12.929 -20.475 1.00 12.30 N ATOM 1526 CA LEU A 101 4.828 -12.261 -19.451 1.00 3.23 C ATOM 1527 C LEU A 101 4.893 -10.746 -19.613 1.00 62.45 C ATOM 1528 O LEU A 101 3.864 -10.081 -19.731 1.00 14.21 O ATOM 1529 CB LEU A 101 5.317 -12.657 -18.057 1.00 62.20 C ATOM 1530 CG LEU A 101 4.322 -13.429 -17.191 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.935 -13.762 -15.840 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.038 -12.631 -17.013 1.00 34.24 C ATOM 0 H LEU A 101 6.325 -13.575 -20.110 1.00 12.30 H new ATOM 0 HA LEU A 101 3.791 -12.577 -19.569 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.217 -13.262 -18.168 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.605 -11.751 -17.524 1.00 62.20 H new ATOM 0 HG LEU A 101 4.079 -14.363 -17.697 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.212 -14.312 -15.238 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.825 -14.374 -15.985 1.00 50.44 H new ATOM 0 HD13 LEU A 101 5.208 -12.840 -15.327 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.341 -13.196 -16.394 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.264 -11.681 -16.530 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.588 -12.444 -17.988 1.00 34.24 H new ATOM 1544 N ALA A 102 6.107 -10.208 -19.619 1.00 31.42 N ATOM 1545 CA ALA A 102 6.305 -8.771 -19.771 1.00 1.32 C ATOM 1546 C ALA A 102 5.528 -8.234 -20.968 1.00 62.44 C ATOM 1547 O ALA A 102 4.921 -7.166 -20.896 1.00 20.35 O ATOM 1548 CB ALA A 102 7.786 -8.455 -19.915 1.00 64.24 C ATOM 0 H ALA A 102 6.969 -10.745 -19.520 1.00 31.42 H new ATOM 0 HA ALA A 102 5.926 -8.280 -18.875 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.919 -7.379 -20.028 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.319 -8.796 -19.027 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.183 -8.964 -20.794 1.00 64.24 H new ATOM 1554 N GLU A 103 5.553 -8.980 -22.068 1.00 45.13 N ATOM 1555 CA GLU A 103 4.852 -8.576 -23.281 1.00 0.13 C ATOM 1556 C GLU A 103 3.356 -8.430 -23.021 1.00 54.13 C ATOM 1557 O GLU A 103 2.694 -7.570 -23.604 1.00 43.44 O ATOM 1558 CB GLU A 103 5.090 -9.594 -24.397 1.00 65.34 C ATOM 1559 CG GLU A 103 5.147 -8.975 -25.784 1.00 71.40 C ATOM 1560 CD GLU A 103 3.948 -9.342 -26.636 1.00 43.23 C ATOM 1561 OE1 GLU A 103 2.851 -9.523 -26.069 1.00 35.33 O ATOM 1562 OE2 GLU A 103 4.107 -9.449 -27.870 1.00 44.42 O1- ATOM 0 H GLU A 103 6.051 -9.867 -22.144 1.00 45.13 H new ATOM 0 HA GLU A 103 5.245 -7.608 -23.592 1.00 0.13 H new ATOM 0 HB2 GLU A 103 6.025 -10.120 -24.204 1.00 65.34 H new ATOM 0 HB3 GLU A 103 4.295 -10.339 -24.373 1.00 65.34 H new ATOM 0 HG2 GLU A 103 5.204 -7.890 -25.692 1.00 71.40 H new ATOM 0 HG3 GLU A 103 6.058 -9.301 -26.286 1.00 71.40 H new ATOM 1569 N VAL A 104 2.828 -9.275 -22.141 1.00 33.41 N ATOM 1570 CA VAL A 104 1.410 -9.241 -21.803 1.00 23.33 C ATOM 1571 C VAL A 104 1.100 -8.092 -20.851 1.00 20.50 C ATOM 1572 O VAL A 104 -0.022 -7.585 -20.818 1.00 4.15 O ATOM 1573 CB VAL A 104 0.955 -10.564 -21.159 1.00 33.51 C ATOM 1574 CG1 VAL A 104 -0.559 -10.696 -21.222 1.00 74.10 C ATOM 1575 CG2 VAL A 104 1.630 -11.747 -21.837 1.00 43.11 C ATOM 0 H VAL A 104 3.361 -9.992 -21.649 1.00 33.41 H new ATOM 0 HA VAL A 104 0.865 -9.093 -22.736 1.00 23.33 H new ATOM 0 HB VAL A 104 1.252 -10.558 -20.110 1.00 33.51 H new ATOM 0 HG11 VAL A 104 -0.862 -11.637 -20.762 1.00 74.10 H new ATOM 0 HG12 VAL A 104 -1.019 -9.866 -20.686 1.00 74.10 H new ATOM 0 HG13 VAL A 104 -0.883 -10.680 -22.263 1.00 74.10 H new ATOM 0 HG21 VAL A 104 1.297 -12.673 -21.369 1.00 43.11 H new ATOM 0 HG22 VAL A 104 1.366 -11.759 -22.895 1.00 43.11 H new ATOM 0 HG23 VAL A 104 2.711 -11.657 -21.734 1.00 43.11 H new ATOM 1585 N ILE A 105 2.101 -7.683 -20.079 1.00 64.50 N ATOM 1586 CA ILE A 105 1.936 -6.592 -19.127 1.00 64.45 C ATOM 1587 C ILE A 105 1.545 -5.299 -19.836 1.00 25.40 C ATOM 1588 O ILE A 105 0.861 -4.448 -19.265 1.00 74.01 O ATOM 1589 CB ILE A 105 3.224 -6.351 -18.317 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.568 -7.588 -17.485 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.065 -5.131 -17.422 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.841 -7.441 -16.683 1.00 20.20 C ATOM 0 H ILE A 105 3.036 -8.091 -20.094 1.00 64.50 H new ATOM 0 HA ILE A 105 1.138 -6.886 -18.445 1.00 64.45 H new ATOM 0 HB ILE A 105 4.043 -6.164 -19.011 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.742 -7.800 -16.806 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.663 -8.447 -18.149 1.00 71.41 H new ATOM 0 HG21 ILE A 105 3.983 -4.973 -16.856 1.00 10.31 H new ATOM 0 HG22 ILE A 105 2.862 -4.253 -18.036 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.236 -5.291 -16.732 1.00 10.31 H new ATOM 0 HD11 ILE A 105 5.023 -8.355 -16.118 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.677 -7.259 -17.358 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.742 -6.602 -15.994 1.00 20.20 H new