USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot -28:sc= 0.169 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 100:sc= -0.428 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc=-0.00813 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.849 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.44! C(o=-3.4!,f=-6!) USER MOD Single : A 64 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-4.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 9:sc= 1.18 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -122:sc= 0 (180deg=-0.0424) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= -0.0721 (180deg=-0.377) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 144:sc= 0.498 (180deg=-0.349!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 2.269 -5.463 -2.995 1.00 33.34 N ATOM 36 CA SER A 3 1.740 -6.566 -3.790 1.00 5.44 C ATOM 37 C SER A 3 2.354 -7.893 -3.353 1.00 52.34 C ATOM 38 O SER A 3 3.558 -7.984 -3.113 1.00 64.31 O ATOM 39 CB SER A 3 2.015 -6.328 -5.276 1.00 1.12 C ATOM 40 OG SER A 3 3.385 -6.047 -5.503 1.00 24.04 O ATOM 0 HA SER A 3 0.663 -6.614 -3.630 1.00 5.44 H new ATOM 0 HB2 SER A 3 1.721 -7.208 -5.849 1.00 1.12 H new ATOM 0 HB3 SER A 3 1.406 -5.497 -5.633 1.00 1.12 H new ATOM 0 HG SER A 3 3.770 -5.630 -4.704 1.00 24.04 H new ATOM 46 N LEU A 4 1.517 -8.919 -3.253 1.00 73.31 N ATOM 47 CA LEU A 4 1.975 -10.243 -2.846 1.00 32.12 C ATOM 48 C LEU A 4 1.447 -11.317 -3.792 1.00 14.05 C ATOM 49 O LEU A 4 0.253 -11.362 -4.093 1.00 64.43 O ATOM 50 CB LEU A 4 1.525 -10.542 -1.415 1.00 3.05 C ATOM 51 CG LEU A 4 1.919 -9.509 -0.358 1.00 13.00 C ATOM 52 CD1 LEU A 4 0.845 -9.407 0.715 1.00 64.33 C ATOM 53 CD2 LEU A 4 3.262 -9.865 0.261 1.00 3.34 C ATOM 0 H LEU A 4 0.518 -8.860 -3.448 1.00 73.31 H new ATOM 0 HA LEU A 4 3.064 -10.252 -2.888 1.00 32.12 H new ATOM 0 HB2 LEU A 4 0.440 -10.642 -1.410 1.00 3.05 H new ATOM 0 HB3 LEU A 4 1.935 -11.508 -1.121 1.00 3.05 H new ATOM 0 HG LEU A 4 2.012 -8.538 -0.844 1.00 13.00 H new ATOM 0 HD11 LEU A 4 1.142 -8.667 1.458 1.00 64.33 H new ATOM 0 HD12 LEU A 4 -0.097 -9.104 0.259 1.00 64.33 H new ATOM 0 HD13 LEU A 4 0.720 -10.376 1.198 1.00 64.33 H new ATOM 0 HD21 LEU A 4 3.526 -9.119 1.011 1.00 3.34 H new ATOM 0 HD22 LEU A 4 3.197 -10.846 0.732 1.00 3.34 H new ATOM 0 HD23 LEU A 4 4.027 -9.886 -0.516 1.00 3.34 H new ATOM 65 N THR A 5 2.343 -12.183 -4.256 1.00 13.54 N ATOM 66 CA THR A 5 1.967 -13.257 -5.166 1.00 3.01 C ATOM 67 C THR A 5 1.072 -14.278 -4.472 1.00 42.45 C ATOM 68 O THR A 5 1.436 -14.835 -3.437 1.00 13.13 O ATOM 69 CB THR A 5 3.208 -13.977 -5.727 1.00 41.24 C ATOM 70 OG1 THR A 5 4.333 -13.756 -4.869 1.00 33.21 O ATOM 71 CG2 THR A 5 3.530 -13.485 -7.130 1.00 44.23 C ATOM 0 H THR A 5 3.334 -12.161 -4.016 1.00 13.54 H new ATOM 0 HA THR A 5 1.419 -12.797 -5.989 1.00 3.01 H new ATOM 0 HB THR A 5 2.992 -15.044 -5.773 1.00 41.24 H new ATOM 0 HG1 THR A 5 5.117 -14.218 -5.232 1.00 33.21 H new ATOM 0 HG21 THR A 5 4.410 -14.007 -7.506 1.00 44.23 H new ATOM 0 HG22 THR A 5 2.683 -13.681 -7.788 1.00 44.23 H new ATOM 0 HG23 THR A 5 3.728 -12.413 -7.103 1.00 44.23 H new ATOM 79 N VAL A 6 -0.100 -14.519 -5.050 1.00 73.14 N ATOM 80 CA VAL A 6 -1.047 -15.475 -4.488 1.00 52.25 C ATOM 81 C VAL A 6 -1.081 -16.761 -5.306 1.00 43.15 C ATOM 82 O VAL A 6 -1.432 -16.751 -6.486 1.00 54.33 O ATOM 83 CB VAL A 6 -2.468 -14.884 -4.422 1.00 72.23 C ATOM 84 CG1 VAL A 6 -3.455 -15.923 -3.912 1.00 30.03 C ATOM 85 CG2 VAL A 6 -2.488 -13.642 -3.545 1.00 41.41 C ATOM 0 H VAL A 6 -0.417 -14.066 -5.907 1.00 73.14 H new ATOM 0 HA VAL A 6 -0.707 -15.700 -3.477 1.00 52.25 H new ATOM 0 HB VAL A 6 -2.770 -14.595 -5.429 1.00 72.23 H new ATOM 0 HG11 VAL A 6 -4.453 -15.488 -3.872 1.00 30.03 H new ATOM 0 HG12 VAL A 6 -3.460 -16.781 -4.584 1.00 30.03 H new ATOM 0 HG13 VAL A 6 -3.160 -16.246 -2.914 1.00 30.03 H new ATOM 0 HG21 VAL A 6 -3.500 -13.238 -3.510 1.00 41.41 H new ATOM 0 HG22 VAL A 6 -2.166 -13.903 -2.537 1.00 41.41 H new ATOM 0 HG23 VAL A 6 -1.812 -12.893 -3.959 1.00 41.41 H new ATOM 95 N LYS A 7 -0.713 -17.869 -4.672 1.00 2.20 N ATOM 96 CA LYS A 7 -0.702 -19.165 -5.339 1.00 21.30 C ATOM 97 C LYS A 7 -2.043 -19.873 -5.176 1.00 14.45 C ATOM 98 O LYS A 7 -2.450 -20.202 -4.062 1.00 14.11 O ATOM 99 CB LYS A 7 0.420 -20.041 -4.777 1.00 63.34 C ATOM 100 CG LYS A 7 1.812 -19.519 -5.087 1.00 5.45 C ATOM 101 CD LYS A 7 2.228 -19.847 -6.511 1.00 11.12 C ATOM 102 CE LYS A 7 2.632 -21.306 -6.651 1.00 61.42 C ATOM 103 NZ LYS A 7 3.382 -21.555 -7.913 1.00 60.34 N ATOM 0 H LYS A 7 -0.418 -17.895 -3.696 1.00 2.20 H new ATOM 0 HA LYS A 7 -0.527 -18.997 -6.402 1.00 21.30 H new ATOM 0 HB2 LYS A 7 0.302 -20.118 -3.696 1.00 63.34 H new ATOM 0 HB3 LYS A 7 0.320 -21.048 -5.181 1.00 63.34 H new ATOM 0 HG2 LYS A 7 1.838 -18.439 -4.939 1.00 5.45 H new ATOM 0 HG3 LYS A 7 2.528 -19.953 -4.389 1.00 5.45 H new ATOM 0 HD2 LYS A 7 1.404 -19.630 -7.191 1.00 11.12 H new ATOM 0 HD3 LYS A 7 3.061 -19.208 -6.804 1.00 11.12 H new ATOM 0 HE2 LYS A 7 3.248 -21.596 -5.799 1.00 61.42 H new ATOM 0 HE3 LYS A 7 1.741 -21.933 -6.628 1.00 61.42 H new ATOM 0 HZ1 LYS A 7 3.639 -22.561 -7.971 1.00 60.34 H new ATOM 0 HZ2 LYS A 7 2.786 -21.303 -8.727 1.00 60.34 H new ATOM 0 HZ3 LYS A 7 4.246 -20.976 -7.924 1.00 60.34 H new ATOM 117 N ALA A 8 -2.725 -20.104 -6.293 1.00 31.14 N ATOM 118 CA ALA A 8 -4.019 -20.776 -6.273 1.00 3.51 C ATOM 119 C ALA A 8 -3.943 -22.134 -6.962 1.00 2.14 C ATOM 120 O ALA A 8 -3.397 -22.255 -8.059 1.00 14.22 O ATOM 121 CB ALA A 8 -5.076 -19.904 -6.935 1.00 62.21 C ATOM 0 H ALA A 8 -2.403 -19.836 -7.223 1.00 31.14 H new ATOM 0 HA ALA A 8 -4.299 -20.941 -5.233 1.00 3.51 H new ATOM 0 HB1 ALA A 8 -6.037 -20.418 -6.913 1.00 62.21 H new ATOM 0 HB2 ALA A 8 -5.157 -18.959 -6.397 1.00 62.21 H new ATOM 0 HB3 ALA A 8 -4.792 -19.710 -7.969 1.00 62.21 H new ATOM 127 N TYR A 9 -4.492 -23.153 -6.311 1.00 31.31 N ATOM 128 CA TYR A 9 -4.484 -24.504 -6.860 1.00 24.14 C ATOM 129 C TYR A 9 -5.900 -24.968 -7.188 1.00 45.30 C ATOM 130 O TYR A 9 -6.766 -25.022 -6.314 1.00 72.34 O ATOM 131 CB TYR A 9 -3.834 -25.474 -5.872 1.00 24.42 C ATOM 132 CG TYR A 9 -2.465 -25.035 -5.403 1.00 12.54 C ATOM 133 CD1 TYR A 9 -1.329 -25.314 -6.152 1.00 72.14 C ATOM 134 CD2 TYR A 9 -2.308 -24.340 -4.209 1.00 61.44 C ATOM 135 CE1 TYR A 9 -0.077 -24.915 -5.728 1.00 3.25 C ATOM 136 CE2 TYR A 9 -1.060 -23.936 -3.777 1.00 63.05 C ATOM 137 CZ TYR A 9 0.053 -24.226 -4.540 1.00 12.32 C ATOM 138 OH TYR A 9 1.298 -23.826 -4.112 1.00 41.12 O ATOM 0 H TYR A 9 -4.948 -23.070 -5.403 1.00 31.31 H new ATOM 0 HA TYR A 9 -3.903 -24.490 -7.782 1.00 24.14 H new ATOM 0 HB2 TYR A 9 -4.486 -25.588 -5.006 1.00 24.42 H new ATOM 0 HB3 TYR A 9 -3.751 -26.455 -6.340 1.00 24.42 H new ATOM 0 HD1 TYR A 9 -1.427 -25.853 -7.083 1.00 72.14 H new ATOM 0 HD2 TYR A 9 -3.177 -24.112 -3.609 1.00 61.44 H new ATOM 0 HE1 TYR A 9 0.795 -25.141 -6.323 1.00 3.25 H new ATOM 0 HE2 TYR A 9 -0.956 -23.396 -2.847 1.00 63.05 H new ATOM 0 HH TYR A 9 1.429 -22.879 -4.326 1.00 41.12 H new ATOM 148 N LEU A 10 -6.127 -25.301 -8.454 1.00 20.34 N ATOM 149 CA LEU A 10 -7.437 -25.762 -8.900 1.00 14.42 C ATOM 150 C LEU A 10 -7.544 -27.280 -8.802 1.00 65.10 C ATOM 151 O LEU A 10 -6.709 -28.008 -9.342 1.00 1.32 O ATOM 152 CB LEU A 10 -7.694 -25.313 -10.339 1.00 55.34 C ATOM 153 CG LEU A 10 -8.957 -25.868 -11.000 1.00 44.23 C ATOM 154 CD1 LEU A 10 -10.173 -25.620 -10.121 1.00 44.13 C ATOM 155 CD2 LEU A 10 -9.155 -25.248 -12.376 1.00 12.23 C ATOM 0 H LEU A 10 -5.421 -25.260 -9.189 1.00 20.34 H new ATOM 0 HA LEU A 10 -8.191 -25.321 -8.248 1.00 14.42 H new ATOM 0 HB2 LEU A 10 -7.748 -24.224 -10.355 1.00 55.34 H new ATOM 0 HB3 LEU A 10 -6.835 -25.598 -10.946 1.00 55.34 H new ATOM 0 HG LEU A 10 -8.837 -26.944 -11.122 1.00 44.23 H new ATOM 0 HD11 LEU A 10 -11.062 -26.022 -10.608 1.00 44.13 H new ATOM 0 HD12 LEU A 10 -10.033 -26.112 -9.159 1.00 44.13 H new ATOM 0 HD13 LEU A 10 -10.297 -24.548 -9.966 1.00 44.13 H new ATOM 0 HD21 LEU A 10 -10.058 -25.654 -12.832 1.00 12.23 H new ATOM 0 HD22 LEU A 10 -9.253 -24.167 -12.277 1.00 12.23 H new ATOM 0 HD23 LEU A 10 -8.296 -25.478 -13.006 1.00 12.23 H new ATOM 167 N LEU A 11 -8.576 -27.752 -8.112 1.00 62.51 N ATOM 168 CA LEU A 11 -8.793 -29.185 -7.945 1.00 72.33 C ATOM 169 C LEU A 11 -9.971 -29.659 -8.790 1.00 72.44 C ATOM 170 O LEU A 11 -11.084 -29.150 -8.664 1.00 20.33 O ATOM 171 CB LEU A 11 -9.042 -29.515 -6.472 1.00 61.35 C ATOM 172 CG LEU A 11 -8.241 -28.699 -5.457 1.00 71.33 C ATOM 173 CD1 LEU A 11 -8.474 -29.223 -4.049 1.00 11.14 C ATOM 174 CD2 LEU A 11 -6.759 -28.728 -5.800 1.00 42.34 C ATOM 0 H LEU A 11 -9.276 -27.164 -7.659 1.00 62.51 H new ATOM 0 HA LEU A 11 -7.896 -29.705 -8.281 1.00 72.33 H new ATOM 0 HB2 LEU A 11 -10.103 -29.376 -6.264 1.00 61.35 H new ATOM 0 HB3 LEU A 11 -8.822 -30.571 -6.315 1.00 61.35 H new ATOM 0 HG LEU A 11 -8.583 -27.665 -5.499 1.00 71.33 H new ATOM 0 HD11 LEU A 11 -7.896 -28.630 -3.340 1.00 11.14 H new ATOM 0 HD12 LEU A 11 -9.534 -29.150 -3.804 1.00 11.14 H new ATOM 0 HD13 LEU A 11 -8.160 -30.265 -3.992 1.00 11.14 H new ATOM 0 HD21 LEU A 11 -6.204 -28.142 -5.067 1.00 42.34 H new ATOM 0 HD22 LEU A 11 -6.402 -29.758 -5.786 1.00 42.34 H new ATOM 0 HD23 LEU A 11 -6.607 -28.305 -6.793 1.00 42.34 H new ATOM 186 N GLY A 12 -9.718 -30.640 -9.652 1.00 53.12 N ATOM 187 CA GLY A 12 -10.768 -31.168 -10.504 1.00 42.11 C ATOM 188 C GLY A 12 -11.246 -32.535 -10.056 1.00 5.12 C ATOM 189 O GLY A 12 -11.388 -32.790 -8.860 1.00 24.22 O ATOM 0 H GLY A 12 -8.805 -31.078 -9.775 1.00 53.12 H new ATOM 0 HA2 GLY A 12 -11.610 -30.476 -10.509 1.00 42.11 H new ATOM 0 HA3 GLY A 12 -10.402 -31.232 -11.529 1.00 42.11 H new ATOM 193 N LYS A 13 -11.496 -33.417 -11.017 1.00 51.14 N ATOM 194 CA LYS A 13 -11.961 -34.766 -10.717 1.00 14.31 C ATOM 195 C LYS A 13 -10.906 -35.544 -9.938 1.00 61.54 C ATOM 196 O LYS A 13 -11.234 -36.404 -9.121 1.00 2.31 O ATOM 197 CB LYS A 13 -12.308 -35.508 -12.010 1.00 3.23 C ATOM 198 CG LYS A 13 -13.182 -36.731 -11.793 1.00 42.04 C ATOM 199 CD LYS A 13 -12.355 -38.005 -11.741 1.00 12.22 C ATOM 200 CE LYS A 13 -12.508 -38.822 -13.015 1.00 12.52 C ATOM 201 NZ LYS A 13 -13.546 -39.880 -12.874 1.00 24.54 N ATOM 0 H LYS A 13 -11.384 -33.222 -12.012 1.00 51.14 H new ATOM 0 HA LYS A 13 -12.856 -34.686 -10.101 1.00 14.31 H new ATOM 0 HB2 LYS A 13 -12.818 -34.823 -12.687 1.00 3.23 H new ATOM 0 HB3 LYS A 13 -11.385 -35.814 -12.502 1.00 3.23 H new ATOM 0 HG2 LYS A 13 -13.740 -36.620 -10.863 1.00 42.04 H new ATOM 0 HG3 LYS A 13 -13.914 -36.804 -12.597 1.00 42.04 H new ATOM 0 HD2 LYS A 13 -11.305 -37.752 -11.593 1.00 12.22 H new ATOM 0 HD3 LYS A 13 -12.662 -38.605 -10.884 1.00 12.22 H new ATOM 0 HE2 LYS A 13 -12.773 -38.161 -13.841 1.00 12.52 H new ATOM 0 HE3 LYS A 13 -11.553 -39.282 -13.268 1.00 12.52 H new ATOM 0 HZ1 LYS A 13 -13.620 -40.414 -13.763 1.00 24.54 H new ATOM 0 HZ2 LYS A 13 -13.281 -40.526 -12.103 1.00 24.54 H new ATOM 0 HZ3 LYS A 13 -14.463 -39.440 -12.657 1.00 24.54 H new ATOM 215 N GLU A 14 -9.639 -35.237 -10.197 1.00 41.34 N ATOM 216 CA GLU A 14 -8.536 -35.908 -9.519 1.00 74.45 C ATOM 217 C GLU A 14 -7.968 -35.033 -8.407 1.00 3.25 C ATOM 218 O GLU A 14 -7.306 -35.525 -7.493 1.00 41.23 O ATOM 219 CB GLU A 14 -7.433 -36.262 -10.519 1.00 53.12 C ATOM 220 CG GLU A 14 -7.892 -37.196 -11.626 1.00 62.23 C ATOM 221 CD GLU A 14 -6.781 -37.536 -12.601 1.00 4.15 C ATOM 222 OE1 GLU A 14 -5.769 -36.804 -12.624 1.00 24.33 O ATOM 223 OE2 GLU A 14 -6.923 -38.532 -13.339 1.00 64.35 O ATOM 0 H GLU A 14 -9.351 -34.528 -10.871 1.00 41.34 H new ATOM 0 HA GLU A 14 -8.921 -36.826 -9.074 1.00 74.45 H new ATOM 0 HB2 GLU A 14 -7.050 -35.344 -10.965 1.00 53.12 H new ATOM 0 HB3 GLU A 14 -6.604 -36.726 -9.984 1.00 53.12 H new ATOM 0 HG2 GLU A 14 -8.277 -38.115 -11.184 1.00 62.23 H new ATOM 0 HG3 GLU A 14 -8.717 -36.733 -12.168 1.00 62.23 H new ATOM 230 N GLU A 15 -8.231 -33.732 -8.492 1.00 21.55 N ATOM 231 CA GLU A 15 -7.744 -32.788 -7.493 1.00 31.44 C ATOM 232 C GLU A 15 -6.220 -32.809 -7.421 1.00 61.33 C ATOM 233 O GLU A 15 -5.638 -32.762 -6.338 1.00 60.01 O ATOM 234 CB GLU A 15 -8.334 -33.115 -6.119 1.00 73.32 C ATOM 235 CG GLU A 15 -9.853 -33.081 -6.086 1.00 30.33 C ATOM 236 CD GLU A 15 -10.410 -33.267 -4.688 1.00 20.14 C ATOM 237 OE1 GLU A 15 -9.723 -32.879 -3.720 1.00 0.34 O ATOM 238 OE2 GLU A 15 -11.532 -33.801 -4.561 1.00 42.42 O ATOM 0 H GLU A 15 -8.778 -33.309 -9.242 1.00 21.55 H new ATOM 0 HA GLU A 15 -8.063 -31.789 -7.790 1.00 31.44 H new ATOM 0 HB2 GLU A 15 -7.994 -34.104 -5.813 1.00 73.32 H new ATOM 0 HB3 GLU A 15 -7.947 -32.405 -5.388 1.00 73.32 H new ATOM 0 HG2 GLU A 15 -10.200 -32.129 -6.488 1.00 30.33 H new ATOM 0 HG3 GLU A 15 -10.245 -33.863 -6.736 1.00 30.33 H new ATOM 245 N ALA A 16 -5.580 -32.881 -8.584 1.00 31.11 N ATOM 246 CA ALA A 16 -4.124 -32.907 -8.654 1.00 54.14 C ATOM 247 C ALA A 16 -3.587 -31.666 -9.359 1.00 62.24 C ATOM 248 O ALA A 16 -2.821 -31.768 -10.318 1.00 15.03 O ATOM 249 CB ALA A 16 -3.653 -34.167 -9.366 1.00 3.53 C ATOM 0 H ALA A 16 -6.047 -32.922 -9.490 1.00 31.11 H new ATOM 0 HA ALA A 16 -3.735 -32.911 -7.636 1.00 54.14 H new ATOM 0 HB1 ALA A 16 -2.564 -34.174 -9.411 1.00 3.53 H new ATOM 0 HB2 ALA A 16 -3.999 -35.044 -8.820 1.00 3.53 H new ATOM 0 HB3 ALA A 16 -4.058 -34.186 -10.378 1.00 3.53 H new ATOM 255 N ALA A 17 -3.993 -30.496 -8.879 1.00 11.40 N ATOM 256 CA ALA A 17 -3.551 -29.235 -9.463 1.00 21.33 C ATOM 257 C ALA A 17 -3.868 -29.179 -10.953 1.00 60.52 C ATOM 258 O ALA A 17 -2.965 -29.123 -11.788 1.00 22.51 O ATOM 259 CB ALA A 17 -2.060 -29.041 -9.231 1.00 2.43 C ATOM 0 H ALA A 17 -4.628 -30.394 -8.087 1.00 11.40 H new ATOM 0 HA ALA A 17 -4.093 -28.426 -8.973 1.00 21.33 H new ATOM 0 HB1 ALA A 17 -1.743 -28.096 -9.672 1.00 2.43 H new ATOM 0 HB2 ALA A 17 -1.857 -29.028 -8.160 1.00 2.43 H new ATOM 0 HB3 ALA A 17 -1.510 -29.860 -9.694 1.00 2.43 H new ATOM 265 N ARG A 18 -5.156 -29.196 -11.280 1.00 40.25 N ATOM 266 CA ARG A 18 -5.592 -29.149 -12.671 1.00 64.00 C ATOM 267 C ARG A 18 -5.057 -27.900 -13.366 1.00 72.34 C ATOM 268 O ARG A 18 -4.677 -27.945 -14.536 1.00 11.21 O ATOM 269 CB ARG A 18 -7.119 -29.176 -12.750 1.00 51.43 C ATOM 270 CG ARG A 18 -7.699 -30.576 -12.859 1.00 30.42 C ATOM 271 CD ARG A 18 -9.006 -30.580 -13.636 1.00 41.43 C ATOM 272 NE ARG A 18 -8.784 -30.627 -15.079 1.00 53.21 N ATOM 273 CZ ARG A 18 -9.753 -30.481 -15.977 1.00 23.25 C ATOM 274 NH1 ARG A 18 -11.002 -30.280 -15.582 1.00 12.34 N ATOM 275 NH2 ARG A 18 -9.472 -30.536 -17.272 1.00 70.42 N ATOM 0 H ARG A 18 -5.916 -29.242 -10.601 1.00 40.25 H new ATOM 0 HA ARG A 18 -5.194 -30.026 -13.181 1.00 64.00 H new ATOM 0 HB2 ARG A 18 -7.529 -28.690 -11.864 1.00 51.43 H new ATOM 0 HB3 ARG A 18 -7.440 -28.591 -13.612 1.00 51.43 H new ATOM 0 HG2 ARG A 18 -6.980 -31.231 -13.351 1.00 30.42 H new ATOM 0 HG3 ARG A 18 -7.867 -30.980 -11.861 1.00 30.42 H new ATOM 0 HD2 ARG A 18 -9.605 -31.439 -13.333 1.00 41.43 H new ATOM 0 HD3 ARG A 18 -9.579 -29.687 -13.386 1.00 41.43 H new ATOM 0 HE ARG A 18 -7.834 -30.780 -15.416 1.00 53.21 H new ATOM 0 HH11 ARG A 18 -11.222 -30.237 -14.587 1.00 12.34 H new ATOM 0 HH12 ARG A 18 -11.744 -30.168 -16.273 1.00 12.34 H new ATOM 0 HH21 ARG A 18 -8.512 -30.690 -17.579 1.00 70.42 H new ATOM 0 HH22 ARG A 18 -10.216 -30.424 -17.961 1.00 70.42 H new ATOM 289 N GLU A 19 -5.032 -26.788 -12.638 1.00 72.42 N ATOM 290 CA GLU A 19 -4.546 -25.528 -13.186 1.00 43.24 C ATOM 291 C GLU A 19 -3.945 -24.653 -12.090 1.00 20.45 C ATOM 292 O GLU A 19 -4.559 -24.443 -11.043 1.00 50.11 O ATOM 293 CB GLU A 19 -5.681 -24.779 -13.887 1.00 13.55 C ATOM 294 CG GLU A 19 -5.816 -25.118 -15.361 1.00 74.53 C ATOM 295 CD GLU A 19 -4.665 -24.584 -16.191 1.00 31.30 C ATOM 296 OE1 GLU A 19 -3.746 -23.974 -15.606 1.00 12.43 O ATOM 297 OE2 GLU A 19 -4.683 -24.776 -17.425 1.00 23.54 O ATOM 0 H GLU A 19 -5.343 -26.735 -11.668 1.00 72.42 H new ATOM 0 HA GLU A 19 -3.767 -25.755 -13.913 1.00 43.24 H new ATOM 0 HB2 GLU A 19 -6.620 -25.007 -13.383 1.00 13.55 H new ATOM 0 HB3 GLU A 19 -5.515 -23.707 -13.783 1.00 13.55 H new ATOM 0 HG2 GLU A 19 -5.871 -26.200 -15.477 1.00 74.53 H new ATOM 0 HG3 GLU A 19 -6.753 -24.709 -15.740 1.00 74.53 H new ATOM 304 N ILE A 20 -2.741 -24.148 -12.337 1.00 14.20 N ATOM 305 CA ILE A 20 -2.058 -23.296 -11.371 1.00 61.25 C ATOM 306 C ILE A 20 -1.771 -21.919 -11.960 1.00 3.13 C ATOM 307 O ILE A 20 -1.224 -21.803 -13.057 1.00 12.13 O ATOM 308 CB ILE A 20 -0.734 -23.928 -10.902 1.00 0.41 C ATOM 309 CG1 ILE A 20 -0.989 -25.311 -10.300 1.00 2.12 C ATOM 310 CG2 ILE A 20 -0.045 -23.023 -9.891 1.00 43.15 C ATOM 311 CD1 ILE A 20 0.275 -26.106 -10.057 1.00 72.54 C ATOM 0 H ILE A 20 -2.219 -24.314 -13.197 1.00 14.20 H new ATOM 0 HA ILE A 20 -2.724 -23.190 -10.515 1.00 61.25 H new ATOM 0 HB ILE A 20 -0.077 -24.044 -11.764 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -1.523 -25.195 -9.357 1.00 2.12 H new ATOM 0 HG13 ILE A 20 -1.641 -25.875 -10.968 1.00 2.12 H new ATOM 0 HG21 ILE A 20 0.889 -23.483 -9.569 1.00 43.15 H new ATOM 0 HG22 ILE A 20 0.165 -22.057 -10.351 1.00 43.15 H new ATOM 0 HG23 ILE A 20 -0.696 -22.880 -9.028 1.00 43.15 H new ATOM 0 HD11 ILE A 20 0.019 -27.075 -9.629 1.00 72.54 H new ATOM 0 HD12 ILE A 20 0.799 -26.253 -11.001 1.00 72.54 H new ATOM 0 HD13 ILE A 20 0.919 -25.563 -9.365 1.00 72.54 H new ATOM 323 N ARG A 21 -2.141 -20.877 -11.222 1.00 34.51 N ATOM 324 CA ARG A 21 -1.923 -19.507 -11.670 1.00 31.40 C ATOM 325 C ARG A 21 -1.708 -18.574 -10.482 1.00 34.53 C ATOM 326 O ARG A 21 -2.369 -18.704 -9.451 1.00 51.20 O ATOM 327 CB ARG A 21 -3.112 -19.025 -12.502 1.00 54.14 C ATOM 328 CG ARG A 21 -3.166 -19.629 -13.896 1.00 23.40 C ATOM 329 CD ARG A 21 -2.004 -19.153 -14.755 1.00 35.14 C ATOM 330 NE ARG A 21 -2.051 -19.719 -16.100 1.00 43.33 N ATOM 331 CZ ARG A 21 -1.383 -19.215 -17.132 1.00 54.15 C ATOM 332 NH1 ARG A 21 -0.622 -18.141 -16.974 1.00 14.13 N ATOM 333 NH2 ARG A 21 -1.476 -19.786 -18.327 1.00 13.04 N ATOM 0 H ARG A 21 -2.593 -20.956 -10.311 1.00 34.51 H new ATOM 0 HA ARG A 21 -1.026 -19.492 -12.288 1.00 31.40 H new ATOM 0 HB2 ARG A 21 -4.035 -19.266 -11.975 1.00 54.14 H new ATOM 0 HB3 ARG A 21 -3.068 -17.939 -12.587 1.00 54.14 H new ATOM 0 HG2 ARG A 21 -3.145 -20.716 -13.824 1.00 23.40 H new ATOM 0 HG3 ARG A 21 -4.108 -19.360 -14.374 1.00 23.40 H new ATOM 0 HD2 ARG A 21 -2.022 -18.065 -14.819 1.00 35.14 H new ATOM 0 HD3 ARG A 21 -1.064 -19.429 -14.278 1.00 35.14 H new ATOM 0 HE ARG A 21 -2.628 -20.546 -16.256 1.00 43.33 H new ATOM 0 HH11 ARG A 21 -0.548 -17.699 -16.058 1.00 14.13 H new ATOM 0 HH12 ARG A 21 -0.111 -17.757 -17.769 1.00 14.13 H new ATOM 0 HH21 ARG A 21 -2.061 -20.612 -18.453 1.00 13.04 H new ATOM 0 HH22 ARG A 21 -0.963 -19.398 -19.119 1.00 13.04 H new ATOM 347 N ARG A 22 -0.780 -17.635 -10.633 1.00 72.54 N ATOM 348 CA ARG A 22 -0.477 -16.682 -9.573 1.00 32.33 C ATOM 349 C ARG A 22 -0.659 -15.248 -10.062 1.00 62.51 C ATOM 350 O ARG A 22 -0.713 -14.994 -11.265 1.00 74.35 O ATOM 351 CB ARG A 22 0.954 -16.884 -9.070 1.00 53.34 C ATOM 352 CG ARG A 22 2.003 -16.788 -10.166 1.00 10.32 C ATOM 353 CD ARG A 22 3.170 -17.727 -9.903 1.00 52.14 C ATOM 354 NE ARG A 22 3.932 -18.005 -11.118 1.00 20.33 N ATOM 355 CZ ARG A 22 4.813 -17.161 -11.642 1.00 51.23 C ATOM 356 NH1 ARG A 22 5.042 -15.991 -11.062 1.00 13.12 N ATOM 357 NH2 ARG A 22 5.467 -17.486 -12.750 1.00 25.02 N ATOM 0 H ARG A 22 -0.225 -17.514 -11.480 1.00 72.54 H new ATOM 0 HA ARG A 22 -1.172 -16.858 -8.751 1.00 32.33 H new ATOM 0 HB2 ARG A 22 1.170 -16.138 -8.305 1.00 53.34 H new ATOM 0 HB3 ARG A 22 1.028 -17.861 -8.592 1.00 53.34 H new ATOM 0 HG2 ARG A 22 1.550 -17.029 -11.127 1.00 10.32 H new ATOM 0 HG3 ARG A 22 2.367 -15.763 -10.234 1.00 10.32 H new ATOM 0 HD2 ARG A 22 3.829 -17.286 -9.155 1.00 52.14 H new ATOM 0 HD3 ARG A 22 2.796 -18.663 -9.487 1.00 52.14 H new ATOM 0 HE ARG A 22 3.779 -18.896 -11.590 1.00 20.33 H new ATOM 0 HH11 ARG A 22 4.541 -15.737 -10.211 1.00 13.12 H new ATOM 0 HH12 ARG A 22 5.719 -15.345 -11.467 1.00 13.12 H new ATOM 0 HH21 ARG A 22 5.293 -18.385 -13.200 1.00 25.02 H new ATOM 0 HH22 ARG A 22 6.144 -16.837 -13.152 1.00 25.02 H new ATOM 371 N PHE A 23 -0.752 -14.315 -9.121 1.00 13.11 N ATOM 372 CA PHE A 23 -0.929 -12.907 -9.456 1.00 13.32 C ATOM 373 C PHE A 23 -0.634 -12.020 -8.250 1.00 44.41 C ATOM 374 O PHE A 23 -0.577 -12.494 -7.116 1.00 35.04 O ATOM 375 CB PHE A 23 -2.355 -12.654 -9.952 1.00 5.11 C ATOM 376 CG PHE A 23 -3.386 -12.703 -8.861 1.00 53.45 C ATOM 377 CD1 PHE A 23 -3.896 -13.915 -8.426 1.00 11.15 C ATOM 378 CD2 PHE A 23 -3.847 -11.536 -8.273 1.00 2.12 C ATOM 379 CE1 PHE A 23 -4.845 -13.963 -7.422 1.00 74.40 C ATOM 380 CE2 PHE A 23 -4.796 -11.578 -7.269 1.00 25.13 C ATOM 381 CZ PHE A 23 -5.296 -12.793 -6.844 1.00 34.13 C ATOM 0 H PHE A 23 -0.708 -14.508 -8.120 1.00 13.11 H new ATOM 0 HA PHE A 23 -0.225 -12.657 -10.250 1.00 13.32 H new ATOM 0 HB2 PHE A 23 -2.395 -11.678 -10.436 1.00 5.11 H new ATOM 0 HB3 PHE A 23 -2.604 -13.396 -10.710 1.00 5.11 H new ATOM 0 HD1 PHE A 23 -3.548 -14.833 -8.876 1.00 11.15 H new ATOM 0 HD2 PHE A 23 -3.460 -10.583 -8.603 1.00 2.12 H new ATOM 0 HE1 PHE A 23 -5.233 -14.915 -7.090 1.00 74.40 H new ATOM 0 HE2 PHE A 23 -5.146 -10.662 -6.817 1.00 25.13 H new ATOM 0 HZ PHE A 23 -6.039 -12.828 -6.061 1.00 34.13 H new ATOM 391 N SER A 24 -0.445 -10.729 -8.505 1.00 4.22 N ATOM 392 CA SER A 24 -0.150 -9.775 -7.442 1.00 11.01 C ATOM 393 C SER A 24 -1.418 -9.404 -6.679 1.00 1.34 C ATOM 394 O SER A 24 -2.413 -8.986 -7.271 1.00 32.31 O ATOM 395 CB SER A 24 0.497 -8.516 -8.022 1.00 55.24 C ATOM 396 OG SER A 24 1.910 -8.597 -7.969 1.00 22.53 O ATOM 0 H SER A 24 -0.491 -10.320 -9.438 1.00 4.22 H new ATOM 0 HA SER A 24 0.547 -10.245 -6.748 1.00 11.01 H new ATOM 0 HB2 SER A 24 0.176 -8.382 -9.055 1.00 55.24 H new ATOM 0 HB3 SER A 24 0.159 -7.641 -7.467 1.00 55.24 H new ATOM 0 HG SER A 24 2.299 -7.781 -8.347 1.00 22.53 H new ATOM 402 N PHE A 25 -1.374 -9.559 -5.359 1.00 45.25 N ATOM 403 CA PHE A 25 -2.518 -9.241 -4.513 1.00 71.35 C ATOM 404 C PHE A 25 -2.137 -8.225 -3.441 1.00 45.24 C ATOM 405 O PHE A 25 -1.083 -8.335 -2.813 1.00 42.24 O ATOM 406 CB PHE A 25 -3.062 -10.512 -3.857 1.00 0.10 C ATOM 407 CG PHE A 25 -4.386 -10.315 -3.175 1.00 5.32 C ATOM 408 CD1 PHE A 25 -4.444 -9.881 -1.860 1.00 53.22 C ATOM 409 CD2 PHE A 25 -5.571 -10.563 -3.848 1.00 43.31 C ATOM 410 CE1 PHE A 25 -5.661 -9.699 -1.230 1.00 21.30 C ATOM 411 CE2 PHE A 25 -6.790 -10.383 -3.223 1.00 54.42 C ATOM 412 CZ PHE A 25 -6.835 -9.949 -1.913 1.00 34.34 C ATOM 0 H PHE A 25 -0.558 -9.903 -4.853 1.00 45.25 H new ATOM 0 HA PHE A 25 -3.293 -8.804 -5.142 1.00 71.35 H new ATOM 0 HB2 PHE A 25 -3.165 -11.287 -4.616 1.00 0.10 H new ATOM 0 HB3 PHE A 25 -2.337 -10.874 -3.128 1.00 0.10 H new ATOM 0 HD1 PHE A 25 -3.529 -9.683 -1.322 1.00 53.22 H new ATOM 0 HD2 PHE A 25 -5.542 -10.901 -4.873 1.00 43.31 H new ATOM 0 HE1 PHE A 25 -5.694 -9.362 -0.205 1.00 21.30 H new ATOM 0 HE2 PHE A 25 -7.707 -10.582 -3.759 1.00 54.42 H new ATOM 0 HZ PHE A 25 -7.787 -9.805 -1.423 1.00 34.34 H new ATOM 598 N GLY A 40 -14.642 -6.904 0.943 1.00 23.33 N ATOM 599 CA GLY A 40 -13.614 -6.134 0.269 1.00 43.43 C ATOM 600 C GLY A 40 -12.553 -7.012 -0.365 1.00 4.43 C ATOM 601 O GLY A 40 -12.516 -7.198 -1.581 1.00 45.31 O ATOM 0 HA2 GLY A 40 -14.075 -5.514 -0.500 1.00 43.43 H new ATOM 0 HA3 GLY A 40 -13.143 -5.459 0.984 1.00 43.43 H new ATOM 605 N PRO A 41 -11.663 -7.568 0.471 1.00 10.30 N ATOM 606 CA PRO A 41 -10.579 -8.439 0.008 1.00 50.03 C ATOM 607 C PRO A 41 -11.092 -9.783 -0.498 1.00 24.22 C ATOM 608 O PRO A 41 -10.717 -10.233 -1.581 1.00 63.52 O ATOM 609 CB PRO A 41 -9.719 -8.631 1.259 1.00 21.13 C ATOM 610 CG PRO A 41 -10.655 -8.418 2.399 1.00 61.55 C ATOM 611 CD PRO A 41 -11.647 -7.389 1.933 1.00 72.24 C ATOM 0 HA PRO A 41 -10.039 -8.006 -0.834 1.00 50.03 H new ATOM 0 HB2 PRO A 41 -9.280 -9.628 1.288 1.00 21.13 H new ATOM 0 HB3 PRO A 41 -8.894 -7.919 1.286 1.00 21.13 H new ATOM 0 HG2 PRO A 41 -11.155 -9.347 2.672 1.00 61.55 H new ATOM 0 HG3 PRO A 41 -10.120 -8.072 3.284 1.00 61.55 H new ATOM 0 HD2 PRO A 41 -12.632 -7.554 2.369 1.00 72.24 H new ATOM 0 HD3 PRO A 41 -11.341 -6.381 2.211 1.00 72.24 H new ATOM 619 N CYS A 42 -11.950 -10.419 0.292 1.00 2.31 N ATOM 620 CA CYS A 42 -12.514 -11.713 -0.076 1.00 2.40 C ATOM 621 C CYS A 42 -13.117 -11.664 -1.476 1.00 61.40 C ATOM 622 O CYS A 42 -12.792 -12.489 -2.330 1.00 55.31 O ATOM 623 CB CYS A 42 -13.579 -12.135 0.937 1.00 1.21 C ATOM 624 SG CYS A 42 -14.489 -13.627 0.473 1.00 2.21 S ATOM 0 H CYS A 42 -12.270 -10.060 1.191 1.00 2.31 H new ATOM 0 HA CYS A 42 -11.709 -12.448 -0.072 1.00 2.40 H new ATOM 0 HB2 CYS A 42 -13.101 -12.299 1.903 1.00 1.21 H new ATOM 0 HB3 CYS A 42 -14.287 -11.316 1.066 1.00 1.21 H new ATOM 0 HG CYS A 42 -15.745 -13.481 0.776 1.00 2.21 H new ATOM 630 N GLU A 43 -13.997 -10.694 -1.703 1.00 31.34 N ATOM 631 CA GLU A 43 -14.647 -10.541 -2.999 1.00 33.13 C ATOM 632 C GLU A 43 -13.615 -10.340 -4.105 1.00 13.33 C ATOM 633 O GLU A 43 -13.684 -10.977 -5.156 1.00 23.34 O ATOM 634 CB GLU A 43 -15.618 -9.359 -2.971 1.00 12.24 C ATOM 635 CG GLU A 43 -16.150 -8.975 -4.341 1.00 73.53 C ATOM 636 CD GLU A 43 -16.944 -10.092 -4.992 1.00 41.31 C ATOM 637 OE1 GLU A 43 -17.758 -10.729 -4.291 1.00 45.22 O ATOM 638 OE2 GLU A 43 -16.751 -10.328 -6.203 1.00 41.33 O ATOM 0 H GLU A 43 -14.276 -10.003 -1.007 1.00 31.34 H new ATOM 0 HA GLU A 43 -15.204 -11.454 -3.208 1.00 33.13 H new ATOM 0 HB2 GLU A 43 -16.457 -9.605 -2.321 1.00 12.24 H new ATOM 0 HB3 GLU A 43 -15.116 -8.497 -2.531 1.00 12.24 H new ATOM 0 HG2 GLU A 43 -16.782 -8.092 -4.247 1.00 73.53 H new ATOM 0 HG3 GLU A 43 -15.316 -8.703 -4.987 1.00 73.53 H new ATOM 645 N ARG A 44 -12.661 -9.448 -3.860 1.00 24.33 N ATOM 646 CA ARG A 44 -11.615 -9.161 -4.835 1.00 13.14 C ATOM 647 C ARG A 44 -10.855 -10.430 -5.207 1.00 21.44 C ATOM 648 O ARG A 44 -10.708 -10.756 -6.385 1.00 61.04 O ATOM 649 CB ARG A 44 -10.645 -8.116 -4.280 1.00 62.24 C ATOM 650 CG ARG A 44 -11.054 -6.684 -4.582 1.00 14.12 C ATOM 651 CD ARG A 44 -9.844 -5.769 -4.687 1.00 54.15 C ATOM 652 NE ARG A 44 -8.999 -6.109 -5.829 1.00 55.52 N ATOM 653 CZ ARG A 44 -7.891 -5.448 -6.145 1.00 61.42 C ATOM 654 NH1 ARG A 44 -7.495 -4.419 -5.409 1.00 35.33 N ATOM 655 NH2 ARG A 44 -7.175 -5.818 -7.200 1.00 11.23 N ATOM 0 H ARG A 44 -12.591 -8.912 -2.995 1.00 24.33 H new ATOM 0 HA ARG A 44 -12.089 -8.766 -5.734 1.00 13.14 H new ATOM 0 HB2 ARG A 44 -10.567 -8.242 -3.200 1.00 62.24 H new ATOM 0 HB3 ARG A 44 -9.653 -8.297 -4.695 1.00 62.24 H new ATOM 0 HG2 ARG A 44 -11.616 -6.654 -5.515 1.00 14.12 H new ATOM 0 HG3 ARG A 44 -11.719 -6.321 -3.798 1.00 14.12 H new ATOM 0 HD2 ARG A 44 -10.178 -4.735 -4.778 1.00 54.15 H new ATOM 0 HD3 ARG A 44 -9.258 -5.835 -3.770 1.00 54.15 H new ATOM 0 HE ARG A 44 -9.275 -6.897 -6.416 1.00 55.52 H new ATOM 0 HH11 ARG A 44 -8.042 -4.132 -4.597 1.00 35.33 H new ATOM 0 HH12 ARG A 44 -6.644 -3.914 -5.655 1.00 35.33 H new ATOM 0 HH21 ARG A 44 -7.476 -6.610 -7.768 1.00 11.23 H new ATOM 0 HH22 ARG A 44 -6.324 -5.310 -7.442 1.00 11.23 H new ATOM 669 N LEU A 45 -10.373 -11.143 -4.194 1.00 73.34 N ATOM 670 CA LEU A 45 -9.627 -12.377 -4.414 1.00 72.55 C ATOM 671 C LEU A 45 -10.467 -13.391 -5.186 1.00 4.12 C ATOM 672 O LEU A 45 -10.044 -13.901 -6.224 1.00 63.41 O ATOM 673 CB LEU A 45 -9.187 -12.976 -3.077 1.00 44.53 C ATOM 674 CG LEU A 45 -8.747 -14.440 -3.109 1.00 51.32 C ATOM 675 CD1 LEU A 45 -7.620 -14.637 -4.111 1.00 4.05 C ATOM 676 CD2 LEU A 45 -8.318 -14.898 -1.723 1.00 30.10 C ATOM 0 H LEU A 45 -10.486 -10.888 -3.213 1.00 73.34 H new ATOM 0 HA LEU A 45 -8.744 -12.138 -5.006 1.00 72.55 H new ATOM 0 HB2 LEU A 45 -8.363 -12.378 -2.688 1.00 44.53 H new ATOM 0 HB3 LEU A 45 -10.011 -12.881 -2.370 1.00 44.53 H new ATOM 0 HG LEU A 45 -9.595 -15.048 -3.424 1.00 51.32 H new ATOM 0 HD11 LEU A 45 -7.320 -15.685 -4.120 1.00 4.05 H new ATOM 0 HD12 LEU A 45 -7.962 -14.349 -5.105 1.00 4.05 H new ATOM 0 HD13 LEU A 45 -6.769 -14.018 -3.827 1.00 4.05 H new ATOM 0 HD21 LEU A 45 -8.008 -15.942 -1.765 1.00 30.10 H new ATOM 0 HD22 LEU A 45 -7.484 -14.286 -1.379 1.00 30.10 H new ATOM 0 HD23 LEU A 45 -9.154 -14.795 -1.031 1.00 30.10 H new ATOM 688 N LEU A 46 -11.658 -13.677 -4.673 1.00 53.42 N ATOM 689 CA LEU A 46 -12.559 -14.628 -5.315 1.00 53.41 C ATOM 690 C LEU A 46 -12.874 -14.200 -6.745 1.00 12.31 C ATOM 691 O LEU A 46 -13.251 -15.021 -7.581 1.00 20.24 O ATOM 692 CB LEU A 46 -13.855 -14.755 -4.512 1.00 23.03 C ATOM 693 CG LEU A 46 -13.732 -15.425 -3.143 1.00 34.13 C ATOM 694 CD1 LEU A 46 -15.085 -15.475 -2.450 1.00 13.11 C ATOM 695 CD2 LEU A 46 -13.152 -16.825 -3.284 1.00 3.41 C ATOM 0 H LEU A 46 -12.023 -13.264 -3.814 1.00 53.42 H new ATOM 0 HA LEU A 46 -12.061 -15.597 -5.346 1.00 53.41 H new ATOM 0 HB2 LEU A 46 -14.271 -13.757 -4.370 1.00 23.03 H new ATOM 0 HB3 LEU A 46 -14.574 -15.318 -5.107 1.00 23.03 H new ATOM 0 HG LEU A 46 -13.053 -14.832 -2.530 1.00 34.13 H new ATOM 0 HD11 LEU A 46 -14.978 -15.955 -1.477 1.00 13.11 H new ATOM 0 HD12 LEU A 46 -15.462 -14.461 -2.315 1.00 13.11 H new ATOM 0 HD13 LEU A 46 -15.786 -16.044 -3.061 1.00 13.11 H new ATOM 0 HD21 LEU A 46 -13.072 -17.286 -2.300 1.00 3.41 H new ATOM 0 HD22 LEU A 46 -13.805 -17.428 -3.915 1.00 3.41 H new ATOM 0 HD23 LEU A 46 -12.163 -16.765 -3.738 1.00 3.41 H new ATOM 707 N SER A 47 -12.715 -12.909 -7.019 1.00 51.04 N ATOM 708 CA SER A 47 -12.984 -12.371 -8.348 1.00 21.30 C ATOM 709 C SER A 47 -11.914 -12.816 -9.341 1.00 1.34 C ATOM 710 O SER A 47 -12.219 -13.183 -10.475 1.00 63.04 O ATOM 711 CB SER A 47 -13.048 -10.843 -8.300 1.00 22.54 C ATOM 712 OG SER A 47 -14.344 -10.377 -8.629 1.00 54.44 O ATOM 0 H SER A 47 -12.401 -12.216 -6.339 1.00 51.04 H new ATOM 0 HA SER A 47 -13.947 -12.757 -8.681 1.00 21.30 H new ATOM 0 HB2 SER A 47 -12.775 -10.496 -7.304 1.00 22.54 H new ATOM 0 HB3 SER A 47 -12.320 -10.423 -8.994 1.00 22.54 H new ATOM 0 HG SER A 47 -14.359 -9.398 -8.590 1.00 54.44 H new ATOM 718 N ARG A 48 -10.659 -12.779 -8.904 1.00 72.22 N ATOM 719 CA ARG A 48 -9.543 -13.177 -9.754 1.00 1.43 C ATOM 720 C ARG A 48 -9.579 -14.676 -10.032 1.00 25.52 C ATOM 721 O ARG A 48 -9.516 -15.107 -11.184 1.00 4.34 O ATOM 722 CB ARG A 48 -8.214 -12.801 -9.095 1.00 52.54 C ATOM 723 CG ARG A 48 -8.209 -11.409 -8.485 1.00 15.42 C ATOM 724 CD ARG A 48 -8.611 -10.352 -9.503 1.00 31.55 C ATOM 725 NE ARG A 48 -7.661 -10.269 -10.609 1.00 11.14 N ATOM 726 CZ ARG A 48 -7.939 -9.695 -11.774 1.00 62.31 C ATOM 727 NH1 ARG A 48 -9.132 -9.157 -11.984 1.00 72.23 N ATOM 728 NH2 ARG A 48 -7.021 -9.659 -12.732 1.00 55.32 N ATOM 0 H ARG A 48 -10.390 -12.478 -7.967 1.00 72.22 H new ATOM 0 HA ARG A 48 -9.634 -12.647 -10.702 1.00 1.43 H new ATOM 0 HB2 ARG A 48 -7.985 -13.530 -8.318 1.00 52.54 H new ATOM 0 HB3 ARG A 48 -7.419 -12.866 -9.838 1.00 52.54 H new ATOM 0 HG2 ARG A 48 -8.895 -11.379 -7.638 1.00 15.42 H new ATOM 0 HG3 ARG A 48 -7.215 -11.184 -8.098 1.00 15.42 H new ATOM 0 HD2 ARG A 48 -9.602 -10.583 -9.893 1.00 31.55 H new ATOM 0 HD3 ARG A 48 -8.680 -9.382 -9.011 1.00 31.55 H new ATOM 0 HE ARG A 48 -6.734 -10.674 -10.480 1.00 11.14 H new ATOM 0 HH11 ARG A 48 -9.840 -9.183 -11.250 1.00 72.23 H new ATOM 0 HH12 ARG A 48 -9.342 -8.717 -12.880 1.00 72.23 H new ATOM 0 HH21 ARG A 48 -6.102 -10.072 -12.574 1.00 55.32 H new ATOM 0 HH22 ARG A 48 -7.235 -9.218 -13.627 1.00 55.32 H new ATOM 742 N VAL A 49 -9.679 -15.468 -8.969 1.00 33.13 N ATOM 743 CA VAL A 49 -9.724 -16.920 -9.098 1.00 2.31 C ATOM 744 C VAL A 49 -10.751 -17.347 -10.140 1.00 33.53 C ATOM 745 O VAL A 49 -10.577 -18.359 -10.819 1.00 54.41 O ATOM 746 CB VAL A 49 -10.061 -17.593 -7.754 1.00 3.30 C ATOM 747 CG1 VAL A 49 -10.059 -19.107 -7.900 1.00 10.24 C ATOM 748 CG2 VAL A 49 -9.081 -17.151 -6.677 1.00 60.32 C ATOM 0 H VAL A 49 -9.730 -15.128 -8.009 1.00 33.13 H new ATOM 0 HA VAL A 49 -8.732 -17.241 -9.417 1.00 2.31 H new ATOM 0 HB VAL A 49 -11.061 -17.283 -7.452 1.00 3.30 H new ATOM 0 HG11 VAL A 49 -10.299 -19.565 -6.941 1.00 10.24 H new ATOM 0 HG12 VAL A 49 -10.803 -19.402 -8.640 1.00 10.24 H new ATOM 0 HG13 VAL A 49 -9.073 -19.440 -8.225 1.00 10.24 H new ATOM 0 HG21 VAL A 49 -9.334 -17.636 -5.734 1.00 60.32 H new ATOM 0 HG22 VAL A 49 -8.069 -17.431 -6.969 1.00 60.32 H new ATOM 0 HG23 VAL A 49 -9.138 -16.069 -6.555 1.00 60.32 H new ATOM 758 N ALA A 50 -11.822 -16.570 -10.260 1.00 75.12 N ATOM 759 CA ALA A 50 -12.877 -16.867 -11.221 1.00 55.12 C ATOM 760 C ALA A 50 -12.395 -16.647 -12.651 1.00 54.31 C ATOM 761 O ALA A 50 -12.514 -17.530 -13.500 1.00 71.40 O ATOM 762 CB ALA A 50 -14.104 -16.013 -10.939 1.00 15.35 C ATOM 0 H ALA A 50 -11.982 -15.730 -9.704 1.00 75.12 H new ATOM 0 HA ALA A 50 -13.147 -17.918 -11.113 1.00 55.12 H new ATOM 0 HB1 ALA A 50 -14.884 -16.245 -11.664 1.00 15.35 H new ATOM 0 HB2 ALA A 50 -14.470 -16.222 -9.934 1.00 15.35 H new ATOM 0 HB3 ALA A 50 -13.839 -14.959 -11.017 1.00 15.35 H new ATOM 768 N VAL A 51 -11.851 -15.462 -12.912 1.00 34.14 N ATOM 769 CA VAL A 51 -11.351 -15.126 -14.239 1.00 41.01 C ATOM 770 C VAL A 51 -10.094 -15.923 -14.571 1.00 34.13 C ATOM 771 O VAL A 51 -9.754 -16.109 -15.740 1.00 33.01 O ATOM 772 CB VAL A 51 -11.038 -13.622 -14.357 1.00 22.52 C ATOM 773 CG1 VAL A 51 -10.103 -13.183 -13.240 1.00 40.44 C ATOM 774 CG2 VAL A 51 -10.439 -13.308 -15.720 1.00 31.55 C ATOM 0 H VAL A 51 -11.746 -14.719 -12.221 1.00 34.14 H new ATOM 0 HA VAL A 51 -12.138 -15.382 -14.948 1.00 41.01 H new ATOM 0 HB VAL A 51 -11.970 -13.065 -14.259 1.00 22.52 H new ATOM 0 HG11 VAL A 51 -9.893 -12.118 -13.339 1.00 40.44 H new ATOM 0 HG12 VAL A 51 -10.575 -13.372 -12.276 1.00 40.44 H new ATOM 0 HG13 VAL A 51 -9.171 -13.744 -13.304 1.00 40.44 H new ATOM 0 HG21 VAL A 51 -10.224 -12.241 -15.786 1.00 31.55 H new ATOM 0 HG22 VAL A 51 -9.516 -13.873 -15.851 1.00 31.55 H new ATOM 0 HG23 VAL A 51 -11.147 -13.584 -16.501 1.00 31.55 H new ATOM 784 N LEU A 52 -9.408 -16.393 -13.535 1.00 0.31 N ATOM 785 CA LEU A 52 -8.188 -17.172 -13.715 1.00 43.55 C ATOM 786 C LEU A 52 -8.510 -18.647 -13.932 1.00 52.51 C ATOM 787 O LEU A 52 -7.796 -19.351 -14.646 1.00 4.24 O ATOM 788 CB LEU A 52 -7.272 -17.011 -12.500 1.00 53.15 C ATOM 789 CG LEU A 52 -6.736 -15.602 -12.246 1.00 11.24 C ATOM 790 CD1 LEU A 52 -6.115 -15.509 -10.861 1.00 20.44 C ATOM 791 CD2 LEU A 52 -5.723 -15.215 -13.313 1.00 60.53 C ATOM 0 H LEU A 52 -9.676 -16.248 -12.562 1.00 0.31 H new ATOM 0 HA LEU A 52 -7.675 -16.797 -14.601 1.00 43.55 H new ATOM 0 HB2 LEU A 52 -7.817 -17.336 -11.614 1.00 53.15 H new ATOM 0 HB3 LEU A 52 -6.424 -17.685 -12.618 1.00 53.15 H new ATOM 0 HG LEU A 52 -7.571 -14.903 -12.296 1.00 11.24 H new ATOM 0 HD11 LEU A 52 -5.739 -14.499 -10.698 1.00 20.44 H new ATOM 0 HD12 LEU A 52 -6.868 -15.742 -10.108 1.00 20.44 H new ATOM 0 HD13 LEU A 52 -5.292 -16.220 -10.783 1.00 20.44 H new ATOM 0 HD21 LEU A 52 -5.353 -14.209 -13.115 1.00 60.53 H new ATOM 0 HD22 LEU A 52 -4.890 -15.918 -13.296 1.00 60.53 H new ATOM 0 HD23 LEU A 52 -6.199 -15.240 -14.293 1.00 60.53 H new ATOM 803 N PHE A 53 -9.592 -19.107 -13.313 1.00 72.42 N ATOM 804 CA PHE A 53 -10.011 -20.499 -13.439 1.00 44.42 C ATOM 805 C PHE A 53 -11.435 -20.591 -13.979 1.00 63.52 C ATOM 806 O PHE A 53 -12.374 -20.945 -13.266 1.00 52.23 O ATOM 807 CB PHE A 53 -9.920 -21.205 -12.085 1.00 65.31 C ATOM 808 CG PHE A 53 -8.515 -21.328 -11.566 1.00 73.44 C ATOM 809 CD1 PHE A 53 -7.479 -21.686 -12.413 1.00 43.23 C ATOM 810 CD2 PHE A 53 -8.232 -21.087 -10.232 1.00 32.23 C ATOM 811 CE1 PHE A 53 -6.185 -21.800 -11.939 1.00 52.53 C ATOM 812 CE2 PHE A 53 -6.941 -21.199 -9.752 1.00 42.01 C ATOM 813 CZ PHE A 53 -5.916 -21.557 -10.607 1.00 13.23 C ATOM 0 H PHE A 53 -10.195 -18.537 -12.719 1.00 72.42 H new ATOM 0 HA PHE A 53 -9.341 -20.992 -14.144 1.00 44.42 H new ATOM 0 HB2 PHE A 53 -10.521 -20.658 -11.358 1.00 65.31 H new ATOM 0 HB3 PHE A 53 -10.355 -22.201 -12.173 1.00 65.31 H new ATOM 0 HD1 PHE A 53 -7.684 -21.878 -13.456 1.00 43.23 H new ATOM 0 HD2 PHE A 53 -9.029 -20.808 -9.559 1.00 32.23 H new ATOM 0 HE1 PHE A 53 -5.386 -22.079 -12.610 1.00 52.53 H new ATOM 0 HE2 PHE A 53 -6.733 -21.007 -8.710 1.00 42.01 H new ATOM 0 HZ PHE A 53 -4.906 -21.646 -10.234 1.00 13.23 H new ATOM 823 N PRO A 54 -11.600 -20.266 -15.270 1.00 21.11 N ATOM 824 CA PRO A 54 -12.906 -20.305 -15.935 1.00 45.42 C ATOM 825 C PRO A 54 -13.417 -21.728 -16.127 1.00 65.34 C ATOM 826 O PRO A 54 -14.562 -21.938 -16.526 1.00 23.31 O ATOM 827 CB PRO A 54 -12.633 -19.647 -17.290 1.00 43.13 C ATOM 828 CG PRO A 54 -11.179 -19.867 -17.533 1.00 34.44 C ATOM 829 CD PRO A 54 -10.525 -19.836 -16.179 1.00 65.14 C ATOM 0 HA PRO A 54 -13.677 -19.804 -15.349 1.00 45.42 H new ATOM 0 HB2 PRO A 54 -13.238 -20.096 -18.077 1.00 43.13 H new ATOM 0 HB3 PRO A 54 -12.874 -18.584 -17.270 1.00 43.13 H new ATOM 0 HG2 PRO A 54 -11.006 -20.822 -18.028 1.00 34.44 H new ATOM 0 HG3 PRO A 54 -10.770 -19.093 -18.182 1.00 34.44 H new ATOM 0 HD2 PRO A 54 -9.667 -20.507 -16.132 1.00 65.14 H new ATOM 0 HD3 PRO A 54 -10.164 -18.838 -15.930 1.00 65.14 H new ATOM 837 N ALA A 55 -12.560 -22.703 -15.841 1.00 21.20 N ATOM 838 CA ALA A 55 -12.926 -24.107 -15.980 1.00 71.20 C ATOM 839 C ALA A 55 -14.172 -24.433 -15.163 1.00 61.13 C ATOM 840 O ALA A 55 -14.898 -25.380 -15.470 1.00 3.10 O ATOM 841 CB ALA A 55 -11.768 -24.999 -15.558 1.00 62.01 C ATOM 0 H ALA A 55 -11.607 -22.546 -15.512 1.00 21.20 H new ATOM 0 HA ALA A 55 -13.152 -24.296 -17.030 1.00 71.20 H new ATOM 0 HB1 ALA A 55 -12.056 -26.045 -15.667 1.00 62.01 H new ATOM 0 HB2 ALA A 55 -10.902 -24.793 -16.187 1.00 62.01 H new ATOM 0 HB3 ALA A 55 -11.515 -24.799 -14.517 1.00 62.01 H new ATOM 847 N LEU A 56 -14.414 -23.644 -14.122 1.00 72.24 N ATOM 848 CA LEU A 56 -15.573 -23.849 -13.260 1.00 60.42 C ATOM 849 C LEU A 56 -16.456 -22.606 -13.230 1.00 31.00 C ATOM 850 O LEU A 56 -16.209 -21.639 -13.951 1.00 71.53 O ATOM 851 CB LEU A 56 -15.122 -24.203 -11.842 1.00 61.10 C ATOM 852 CG LEU A 56 -14.155 -23.221 -11.181 1.00 5.13 C ATOM 853 CD1 LEU A 56 -14.879 -22.372 -10.147 1.00 61.24 C ATOM 854 CD2 LEU A 56 -12.992 -23.966 -10.541 1.00 60.13 C ATOM 0 H LEU A 56 -13.823 -22.857 -13.854 1.00 72.24 H new ATOM 0 HA LEU A 56 -16.156 -24.676 -13.666 1.00 60.42 H new ATOM 0 HB2 LEU A 56 -16.007 -24.290 -11.212 1.00 61.10 H new ATOM 0 HB3 LEU A 56 -14.650 -25.185 -11.867 1.00 61.10 H new ATOM 0 HG LEU A 56 -13.758 -22.559 -11.951 1.00 5.13 H new ATOM 0 HD11 LEU A 56 -14.174 -21.679 -9.687 1.00 61.24 H new ATOM 0 HD12 LEU A 56 -15.677 -21.810 -10.632 1.00 61.24 H new ATOM 0 HD13 LEU A 56 -15.305 -23.018 -9.380 1.00 61.24 H new ATOM 0 HD21 LEU A 56 -12.314 -23.251 -10.075 1.00 60.13 H new ATOM 0 HD22 LEU A 56 -13.372 -24.652 -9.784 1.00 60.13 H new ATOM 0 HD23 LEU A 56 -12.456 -24.529 -11.305 1.00 60.13 H new ATOM 866 N ARG A 57 -17.485 -22.638 -12.389 1.00 42.41 N ATOM 867 CA ARG A 57 -18.404 -21.513 -12.264 1.00 0.10 C ATOM 868 C ARG A 57 -17.659 -20.245 -11.857 1.00 13.23 C ATOM 869 O ARG A 57 -16.566 -20.292 -11.292 1.00 13.32 O ATOM 870 CB ARG A 57 -19.494 -21.829 -11.238 1.00 4.01 C ATOM 871 CG ARG A 57 -20.595 -22.727 -11.776 1.00 71.43 C ATOM 872 CD ARG A 57 -20.181 -24.190 -11.755 1.00 63.44 C ATOM 873 NE ARG A 57 -21.322 -25.080 -11.558 1.00 11.25 N ATOM 874 CZ ARG A 57 -21.992 -25.172 -10.414 1.00 73.14 C ATOM 875 NH1 ARG A 57 -21.637 -24.433 -9.372 1.00 74.14 N ATOM 876 NH2 ARG A 57 -23.020 -26.005 -10.312 1.00 53.20 N ATOM 0 H ARG A 57 -17.703 -23.430 -11.785 1.00 42.41 H new ATOM 0 HA ARG A 57 -18.868 -21.345 -13.236 1.00 0.10 H new ATOM 0 HB2 ARG A 57 -19.038 -22.307 -10.371 1.00 4.01 H new ATOM 0 HB3 ARG A 57 -19.936 -20.895 -10.891 1.00 4.01 H new ATOM 0 HG2 ARG A 57 -21.498 -22.595 -11.180 1.00 71.43 H new ATOM 0 HG3 ARG A 57 -20.841 -22.432 -12.796 1.00 71.43 H new ATOM 0 HD2 ARG A 57 -19.685 -24.440 -12.693 1.00 63.44 H new ATOM 0 HD3 ARG A 57 -19.455 -24.350 -10.958 1.00 63.44 H new ATOM 0 HE ARG A 57 -21.621 -25.662 -12.340 1.00 11.25 H new ATOM 0 HH11 ARG A 57 -20.848 -23.791 -9.447 1.00 74.14 H new ATOM 0 HH12 ARG A 57 -22.153 -24.506 -8.495 1.00 74.14 H new ATOM 0 HH21 ARG A 57 -23.296 -26.575 -11.112 1.00 53.20 H new ATOM 0 HH22 ARG A 57 -23.534 -26.075 -9.434 1.00 53.20 H new ATOM 890 N PRO A 58 -18.263 -19.084 -12.150 1.00 11.41 N ATOM 891 CA PRO A 58 -17.675 -17.781 -11.823 1.00 73.13 C ATOM 892 C PRO A 58 -17.665 -17.510 -10.323 1.00 1.51 C ATOM 893 O PRO A 58 -16.643 -17.120 -9.760 1.00 22.34 O ATOM 894 CB PRO A 58 -18.593 -16.788 -12.540 1.00 53.22 C ATOM 895 CG PRO A 58 -19.899 -17.496 -12.658 1.00 1.43 C ATOM 896 CD PRO A 58 -19.567 -18.953 -12.822 1.00 44.24 C ATOM 0 HA PRO A 58 -16.631 -17.716 -12.130 1.00 73.13 H new ATOM 0 HB2 PRO A 58 -18.694 -15.862 -11.973 1.00 53.22 H new ATOM 0 HB3 PRO A 58 -18.198 -16.520 -13.520 1.00 53.22 H new ATOM 0 HG2 PRO A 58 -20.513 -17.333 -11.772 1.00 1.43 H new ATOM 0 HG3 PRO A 58 -20.467 -17.127 -13.512 1.00 1.43 H new ATOM 0 HD2 PRO A 58 -20.322 -19.591 -12.362 1.00 44.24 H new ATOM 0 HD3 PRO A 58 -19.508 -19.236 -13.873 1.00 44.24 H new ATOM 904 N GLY A 59 -18.810 -17.718 -9.680 1.00 72.12 N ATOM 905 CA GLY A 59 -18.911 -17.491 -8.250 1.00 44.15 C ATOM 906 C GLY A 59 -19.410 -18.711 -7.503 1.00 62.51 C ATOM 907 O GLY A 59 -19.822 -18.615 -6.348 1.00 31.10 O ATOM 0 H GLY A 59 -19.670 -18.040 -10.124 1.00 72.12 H new ATOM 0 HA2 GLY A 59 -17.934 -17.205 -7.861 1.00 44.15 H new ATOM 0 HA3 GLY A 59 -19.585 -16.655 -8.065 1.00 44.15 H new ATOM 911 N GLY A 60 -19.374 -19.864 -8.165 1.00 34.34 N ATOM 912 CA GLY A 60 -19.831 -21.092 -7.540 1.00 74.24 C ATOM 913 C GLY A 60 -18.685 -21.966 -7.073 1.00 22.42 C ATOM 914 O GLY A 60 -18.611 -23.145 -7.422 1.00 4.21 O ATOM 0 H GLY A 60 -19.037 -19.969 -9.122 1.00 34.34 H new ATOM 0 HA2 GLY A 60 -20.468 -20.848 -6.690 1.00 74.24 H new ATOM 0 HA3 GLY A 60 -20.444 -21.650 -8.248 1.00 74.24 H new ATOM 918 N PHE A 61 -17.787 -21.389 -6.282 1.00 3.32 N ATOM 919 CA PHE A 61 -16.636 -22.123 -5.768 1.00 11.42 C ATOM 920 C PHE A 61 -16.223 -21.595 -4.397 1.00 30.32 C ATOM 921 O PHE A 61 -16.538 -20.462 -4.036 1.00 54.22 O ATOM 922 CB PHE A 61 -15.461 -22.018 -6.742 1.00 70.21 C ATOM 923 CG PHE A 61 -14.776 -20.682 -6.714 1.00 50.21 C ATOM 924 CD1 PHE A 61 -15.293 -19.608 -7.421 1.00 72.42 C ATOM 925 CD2 PHE A 61 -13.615 -20.499 -5.981 1.00 25.10 C ATOM 926 CE1 PHE A 61 -14.666 -18.377 -7.397 1.00 65.13 C ATOM 927 CE2 PHE A 61 -12.983 -19.270 -5.953 1.00 22.21 C ATOM 928 CZ PHE A 61 -13.508 -18.208 -6.663 1.00 32.21 C ATOM 0 H PHE A 61 -17.834 -20.415 -5.983 1.00 3.32 H new ATOM 0 HA PHE A 61 -16.921 -23.170 -5.665 1.00 11.42 H new ATOM 0 HB2 PHE A 61 -14.734 -22.795 -6.506 1.00 70.21 H new ATOM 0 HB3 PHE A 61 -15.819 -22.212 -7.753 1.00 70.21 H new ATOM 0 HD1 PHE A 61 -16.197 -19.735 -7.998 1.00 72.42 H new ATOM 0 HD2 PHE A 61 -13.199 -21.326 -5.425 1.00 25.10 H new ATOM 0 HE1 PHE A 61 -15.081 -17.548 -7.951 1.00 65.13 H new ATOM 0 HE2 PHE A 61 -12.079 -19.140 -5.376 1.00 22.21 H new ATOM 0 HZ PHE A 61 -13.014 -17.248 -6.644 1.00 32.21 H new ATOM 938 N GLN A 62 -15.516 -22.427 -3.638 1.00 53.20 N ATOM 939 CA GLN A 62 -15.061 -22.045 -2.306 1.00 72.14 C ATOM 940 C GLN A 62 -13.547 -22.187 -2.187 1.00 54.42 C ATOM 941 O GLN A 62 -12.985 -23.232 -2.510 1.00 23.31 O ATOM 942 CB GLN A 62 -15.751 -22.902 -1.244 1.00 23.35 C ATOM 943 CG GLN A 62 -16.846 -22.168 -0.486 1.00 62.45 C ATOM 944 CD GLN A 62 -16.367 -20.859 0.109 1.00 61.02 C ATOM 945 OE1 GLN A 62 -17.048 -19.837 0.018 1.00 3.05 O ATOM 946 NE2 GLN A 62 -15.190 -20.883 0.722 1.00 5.14 N ATOM 0 H GLN A 62 -15.246 -23.369 -3.922 1.00 53.20 H new ATOM 0 HA GLN A 62 -15.323 -20.999 -2.145 1.00 72.14 H new ATOM 0 HB2 GLN A 62 -16.180 -23.783 -1.722 1.00 23.35 H new ATOM 0 HB3 GLN A 62 -15.004 -23.257 -0.534 1.00 23.35 H new ATOM 0 HG2 GLN A 62 -17.681 -21.973 -1.159 1.00 62.45 H new ATOM 0 HG3 GLN A 62 -17.223 -22.809 0.311 1.00 62.45 H new ATOM 0 HE21 GLN A 62 -14.660 -21.753 0.774 1.00 5.14 H new ATOM 0 HE22 GLN A 62 -14.816 -20.032 1.141 1.00 5.14 H new ATOM 955 N ALA A 63 -12.894 -21.127 -1.722 1.00 2.00 N ATOM 956 CA ALA A 63 -11.445 -21.134 -1.559 1.00 14.13 C ATOM 957 C ALA A 63 -11.055 -21.533 -0.140 1.00 2.44 C ATOM 958 O ALA A 63 -11.611 -21.024 0.834 1.00 3.33 O ATOM 959 CB ALA A 63 -10.869 -19.769 -1.903 1.00 41.50 C ATOM 0 H ALA A 63 -13.345 -20.253 -1.452 1.00 2.00 H new ATOM 0 HA ALA A 63 -11.030 -21.874 -2.244 1.00 14.13 H new ATOM 0 HB1 ALA A 63 -9.786 -19.789 -1.777 1.00 41.50 H new ATOM 0 HB2 ALA A 63 -11.109 -19.523 -2.937 1.00 41.50 H new ATOM 0 HB3 ALA A 63 -11.298 -19.016 -1.242 1.00 41.50 H new ATOM 965 N HIS A 64 -10.096 -22.446 -0.029 1.00 62.53 N ATOM 966 CA HIS A 64 -9.631 -22.914 1.272 1.00 40.40 C ATOM 967 C HIS A 64 -8.195 -22.468 1.528 1.00 45.31 C ATOM 968 O HIS A 64 -7.439 -22.206 0.591 1.00 30.25 O ATOM 969 CB HIS A 64 -9.727 -24.437 1.354 1.00 24.43 C ATOM 970 CG HIS A 64 -11.114 -24.963 1.146 1.00 2.53 C ATOM 971 ND1 HIS A 64 -11.770 -24.895 -0.064 1.00 73.24 N ATOM 972 CD2 HIS A 64 -11.969 -25.568 2.003 1.00 21.12 C ATOM 973 CE1 HIS A 64 -12.970 -25.435 0.057 1.00 1.02 C ATOM 974 NE2 HIS A 64 -13.115 -25.852 1.302 1.00 12.52 N ATOM 0 H HIS A 64 -9.625 -22.877 -0.825 1.00 62.53 H new ATOM 0 HA HIS A 64 -10.271 -22.476 2.038 1.00 40.40 H new ATOM 0 HB2 HIS A 64 -9.066 -24.875 0.607 1.00 24.43 H new ATOM 0 HB3 HIS A 64 -9.366 -24.763 2.329 1.00 24.43 H new ATOM 0 HD2 HIS A 64 -11.784 -25.787 3.044 1.00 21.12 H new ATOM 0 HE1 HIS A 64 -13.707 -25.521 -0.728 1.00 1.02 H new ATOM 0 HE2 HIS A 64 -13.944 -26.310 1.681 1.00 12.52 H new ATOM 982 N TYR A 65 -7.825 -22.382 2.801 1.00 63.42 N ATOM 983 CA TYR A 65 -6.480 -21.965 3.180 1.00 51.12 C ATOM 984 C TYR A 65 -5.919 -22.865 4.276 1.00 23.40 C ATOM 985 O TYR A 65 -6.631 -23.251 5.203 1.00 2.03 O ATOM 986 CB TYR A 65 -6.490 -20.511 3.654 1.00 45.31 C ATOM 987 CG TYR A 65 -7.075 -20.328 5.036 1.00 21.21 C ATOM 988 CD1 TYR A 65 -6.278 -20.439 6.169 1.00 13.22 C ATOM 989 CD2 TYR A 65 -8.424 -20.046 5.209 1.00 33.30 C ATOM 990 CE1 TYR A 65 -6.809 -20.274 7.434 1.00 3.41 C ATOM 991 CE2 TYR A 65 -8.963 -19.878 6.470 1.00 61.11 C ATOM 992 CZ TYR A 65 -8.151 -19.993 7.579 1.00 13.12 C ATOM 993 OH TYR A 65 -8.684 -19.827 8.837 1.00 34.40 O ATOM 0 H TYR A 65 -8.438 -22.596 3.588 1.00 63.42 H new ATOM 0 HA TYR A 65 -5.839 -22.050 2.302 1.00 51.12 H new ATOM 0 HB2 TYR A 65 -5.469 -20.129 3.647 1.00 45.31 H new ATOM 0 HB3 TYR A 65 -7.060 -19.911 2.945 1.00 45.31 H new ATOM 0 HD1 TYR A 65 -5.226 -20.658 6.059 1.00 13.22 H new ATOM 0 HD2 TYR A 65 -9.063 -19.956 4.343 1.00 33.30 H new ATOM 0 HE1 TYR A 65 -6.176 -20.365 8.304 1.00 3.41 H new ATOM 0 HE2 TYR A 65 -10.014 -19.658 6.587 1.00 61.11 H new ATOM 0 HH TYR A 65 -9.642 -19.633 8.764 1.00 34.40 H new ATOM 1003 N ARG A 66 -4.637 -23.196 4.162 1.00 5.12 N ATOM 1004 CA ARG A 66 -3.978 -24.051 5.142 1.00 31.13 C ATOM 1005 C ARG A 66 -3.755 -23.303 6.454 1.00 70.44 C ATOM 1006 O ARG A 66 -2.970 -22.358 6.515 1.00 65.14 O ATOM 1007 CB ARG A 66 -2.641 -24.554 4.596 1.00 43.25 C ATOM 1008 CG ARG A 66 -2.748 -25.864 3.833 1.00 33.31 C ATOM 1009 CD ARG A 66 -2.604 -27.061 4.760 1.00 62.32 C ATOM 1010 NE ARG A 66 -2.547 -28.321 4.022 1.00 3.43 N ATOM 1011 CZ ARG A 66 -2.044 -29.443 4.523 1.00 25.31 C ATOM 1012 NH1 ARG A 66 -1.557 -29.463 5.756 1.00 21.53 N ATOM 1013 NH2 ARG A 66 -2.027 -30.549 3.790 1.00 21.20 N ATOM 0 H ARG A 66 -4.034 -22.885 3.401 1.00 5.12 H new ATOM 0 HA ARG A 66 -4.627 -24.905 5.336 1.00 31.13 H new ATOM 0 HB2 ARG A 66 -2.218 -23.794 3.939 1.00 43.25 H new ATOM 0 HB3 ARG A 66 -1.945 -24.682 5.425 1.00 43.25 H new ATOM 0 HG2 ARG A 66 -3.710 -25.911 3.322 1.00 33.31 H new ATOM 0 HG3 ARG A 66 -1.976 -25.903 3.064 1.00 33.31 H new ATOM 0 HD2 ARG A 66 -1.699 -26.950 5.358 1.00 62.32 H new ATOM 0 HD3 ARG A 66 -3.444 -27.085 5.454 1.00 62.32 H new ATOM 0 HE ARG A 66 -2.914 -28.340 3.070 1.00 3.43 H new ATOM 0 HH11 ARG A 66 -1.568 -28.615 6.323 1.00 21.53 H new ATOM 0 HH12 ARG A 66 -1.171 -30.327 6.138 1.00 21.53 H new ATOM 0 HH21 ARG A 66 -2.401 -30.538 2.841 1.00 21.20 H new ATOM 0 HH22 ARG A 66 -1.640 -31.411 4.176 1.00 21.20 H new ATOM 1027 N ALA A 67 -4.452 -23.734 7.500 1.00 0.22 N ATOM 1028 CA ALA A 67 -4.329 -23.106 8.810 1.00 20.51 C ATOM 1029 C ALA A 67 -3.227 -23.765 9.633 1.00 43.12 C ATOM 1030 O ALA A 67 -2.545 -24.673 9.159 1.00 43.33 O ATOM 1031 CB ALA A 67 -5.655 -23.172 9.553 1.00 12.51 C ATOM 0 H ALA A 67 -5.107 -24.515 7.466 1.00 0.22 H new ATOM 0 HA ALA A 67 -4.060 -22.060 8.661 1.00 20.51 H new ATOM 0 HB1 ALA A 67 -5.549 -22.700 10.530 1.00 12.51 H new ATOM 0 HB2 ALA A 67 -6.420 -22.650 8.979 1.00 12.51 H new ATOM 0 HB3 ALA A 67 -5.947 -24.214 9.684 1.00 12.51 H new ATOM 1037 N GLU A 68 -3.058 -23.301 10.867 1.00 40.40 N ATOM 1038 CA GLU A 68 -2.037 -23.845 11.754 1.00 4.41 C ATOM 1039 C GLU A 68 -2.185 -25.357 11.891 1.00 22.24 C ATOM 1040 O GLU A 68 -1.195 -26.089 11.909 1.00 72.43 O ATOM 1041 CB GLU A 68 -2.123 -23.186 13.132 1.00 1.44 C ATOM 1042 CG GLU A 68 -3.538 -23.104 13.681 1.00 63.15 C ATOM 1043 CD GLU A 68 -3.579 -22.628 15.120 1.00 73.14 C ATOM 1044 OE1 GLU A 68 -2.500 -22.370 15.691 1.00 25.54 O ATOM 1045 OE2 GLU A 68 -4.693 -22.513 15.674 1.00 44.12 O ATOM 0 H GLU A 68 -3.615 -22.550 11.275 1.00 40.40 H new ATOM 0 HA GLU A 68 -1.061 -23.631 11.317 1.00 4.41 H new ATOM 0 HB2 GLU A 68 -1.503 -23.745 13.832 1.00 1.44 H new ATOM 0 HB3 GLU A 68 -1.707 -22.180 13.071 1.00 1.44 H new ATOM 0 HG2 GLU A 68 -4.125 -22.426 13.061 1.00 63.15 H new ATOM 0 HG3 GLU A 68 -4.007 -24.085 13.613 1.00 63.15 H new ATOM 1052 N ARG A 69 -3.428 -25.818 11.989 1.00 4.41 N ATOM 1053 CA ARG A 69 -3.706 -27.242 12.127 1.00 71.03 C ATOM 1054 C ARG A 69 -3.274 -28.004 10.877 1.00 11.31 C ATOM 1055 O ARG A 69 -2.971 -29.194 10.937 1.00 23.42 O ATOM 1056 CB ARG A 69 -5.197 -27.469 12.386 1.00 64.33 C ATOM 1057 CG ARG A 69 -5.719 -26.745 13.616 1.00 45.54 C ATOM 1058 CD ARG A 69 -5.573 -27.596 14.867 1.00 14.23 C ATOM 1059 NE ARG A 69 -5.375 -26.781 16.063 1.00 25.31 N ATOM 1060 CZ ARG A 69 -5.478 -27.254 17.300 1.00 34.20 C ATOM 1061 NH1 ARG A 69 -5.777 -28.530 17.503 1.00 51.04 N ATOM 1062 NH2 ARG A 69 -5.283 -26.450 18.338 1.00 61.45 N ATOM 0 H ARG A 69 -4.258 -25.226 11.975 1.00 4.41 H new ATOM 0 HA ARG A 69 -3.135 -27.618 12.976 1.00 71.03 H new ATOM 0 HB2 ARG A 69 -5.763 -27.140 11.514 1.00 64.33 H new ATOM 0 HB3 ARG A 69 -5.379 -28.538 12.500 1.00 64.33 H new ATOM 0 HG2 ARG A 69 -5.176 -25.809 13.746 1.00 45.54 H new ATOM 0 HG3 ARG A 69 -6.768 -26.488 13.470 1.00 45.54 H new ATOM 0 HD2 ARG A 69 -6.463 -28.213 14.992 1.00 14.23 H new ATOM 0 HD3 ARG A 69 -4.729 -28.275 14.747 1.00 14.23 H new ATOM 0 HE ARG A 69 -5.145 -25.795 15.942 1.00 25.31 H new ATOM 0 HH11 ARG A 69 -5.929 -29.151 16.708 1.00 51.04 H new ATOM 0 HH12 ARG A 69 -5.855 -28.890 18.454 1.00 51.04 H new ATOM 0 HH21 ARG A 69 -5.054 -25.468 18.186 1.00 61.45 H new ATOM 0 HH22 ARG A 69 -5.362 -26.814 19.287 1.00 61.45 H new ATOM 1076 N GLY A 70 -3.249 -27.307 9.745 1.00 75.34 N ATOM 1077 CA GLY A 70 -2.854 -27.934 8.497 1.00 72.12 C ATOM 1078 C GLY A 70 -4.023 -28.575 7.774 1.00 4.32 C ATOM 1079 O GLY A 70 -3.909 -29.688 7.261 1.00 42.00 O ATOM 0 H GLY A 70 -3.495 -26.320 9.670 1.00 75.34 H new ATOM 0 HA2 GLY A 70 -2.395 -27.188 7.849 1.00 72.12 H new ATOM 0 HA3 GLY A 70 -2.096 -28.691 8.698 1.00 72.12 H new ATOM 1083 N ASP A 71 -5.149 -27.872 7.735 1.00 12.11 N ATOM 1084 CA ASP A 71 -6.344 -28.379 7.071 1.00 71.04 C ATOM 1085 C ASP A 71 -6.908 -27.344 6.103 1.00 54.33 C ATOM 1086 O ASP A 71 -6.385 -26.234 5.989 1.00 35.22 O ATOM 1087 CB ASP A 71 -7.405 -28.761 8.104 1.00 11.20 C ATOM 1088 CG ASP A 71 -7.127 -30.104 8.750 1.00 73.02 C ATOM 1089 OD1 ASP A 71 -5.960 -30.547 8.718 1.00 13.13 O ATOM 1090 OD2 ASP A 71 -8.077 -30.713 9.286 1.00 10.30 O ATOM 0 H ASP A 71 -5.259 -26.949 8.155 1.00 12.11 H new ATOM 0 HA ASP A 71 -6.065 -29.267 6.504 1.00 71.04 H new ATOM 0 HB2 ASP A 71 -7.450 -27.992 8.876 1.00 11.20 H new ATOM 0 HB3 ASP A 71 -8.383 -28.788 7.623 1.00 11.20 H new ATOM 1095 N LEU A 72 -7.977 -27.714 5.406 1.00 13.40 N ATOM 1096 CA LEU A 72 -8.613 -26.817 4.446 1.00 23.52 C ATOM 1097 C LEU A 72 -9.790 -26.085 5.082 1.00 40.02 C ATOM 1098 O LEU A 72 -10.753 -26.707 5.531 1.00 64.21 O ATOM 1099 CB LEU A 72 -9.087 -27.603 3.222 1.00 44.41 C ATOM 1100 CG LEU A 72 -7.991 -28.252 2.376 1.00 71.32 C ATOM 1101 CD1 LEU A 72 -8.587 -28.892 1.131 1.00 23.03 C ATOM 1102 CD2 LEU A 72 -6.932 -27.228 1.996 1.00 12.52 C ATOM 0 H LEU A 72 -8.422 -28.628 5.487 1.00 13.40 H new ATOM 0 HA LEU A 72 -7.876 -26.077 4.133 1.00 23.52 H new ATOM 0 HB2 LEU A 72 -9.769 -28.384 3.558 1.00 44.41 H new ATOM 0 HB3 LEU A 72 -9.661 -26.931 2.584 1.00 44.41 H new ATOM 0 HG LEU A 72 -7.515 -29.033 2.970 1.00 71.32 H new ATOM 0 HD11 LEU A 72 -7.793 -29.349 0.541 1.00 23.03 H new ATOM 0 HD12 LEU A 72 -9.307 -29.656 1.424 1.00 23.03 H new ATOM 0 HD13 LEU A 72 -9.089 -28.130 0.535 1.00 23.03 H new ATOM 0 HD21 LEU A 72 -6.161 -27.709 1.394 1.00 12.52 H new ATOM 0 HD22 LEU A 72 -7.393 -26.424 1.421 1.00 12.52 H new ATOM 0 HD23 LEU A 72 -6.483 -26.816 2.900 1.00 12.52 H new ATOM 1114 N VAL A 73 -9.707 -24.759 5.114 1.00 13.44 N ATOM 1115 CA VAL A 73 -10.767 -23.941 5.692 1.00 52.43 C ATOM 1116 C VAL A 73 -11.394 -23.031 4.641 1.00 62.34 C ATOM 1117 O VAL A 73 -10.821 -22.007 4.271 1.00 52.15 O ATOM 1118 CB VAL A 73 -10.240 -23.077 6.853 1.00 32.12 C ATOM 1119 CG1 VAL A 73 -11.353 -22.209 7.421 1.00 44.12 C ATOM 1120 CG2 VAL A 73 -9.633 -23.956 7.937 1.00 42.55 C ATOM 0 H VAL A 73 -8.917 -24.228 4.747 1.00 13.44 H new ATOM 0 HA VAL A 73 -11.523 -24.627 6.073 1.00 52.43 H new ATOM 0 HB VAL A 73 -9.459 -22.420 6.469 1.00 32.12 H new ATOM 0 HG11 VAL A 73 -10.962 -21.606 8.240 1.00 44.12 H new ATOM 0 HG12 VAL A 73 -11.738 -21.554 6.640 1.00 44.12 H new ATOM 0 HG13 VAL A 73 -12.158 -22.845 7.791 1.00 44.12 H new ATOM 0 HG21 VAL A 73 -9.265 -23.330 8.750 1.00 42.55 H new ATOM 0 HG22 VAL A 73 -10.392 -24.638 8.319 1.00 42.55 H new ATOM 0 HG23 VAL A 73 -8.806 -24.530 7.519 1.00 42.55 H new ATOM 1130 N ALA A 74 -12.574 -23.413 4.164 1.00 70.24 N ATOM 1131 CA ALA A 74 -13.280 -22.631 3.157 1.00 54.03 C ATOM 1132 C ALA A 74 -13.573 -21.222 3.662 1.00 74.32 C ATOM 1133 O ALA A 74 -14.529 -21.006 4.407 1.00 53.51 O ATOM 1134 CB ALA A 74 -14.571 -23.329 2.756 1.00 74.32 C ATOM 0 H ALA A 74 -13.061 -24.259 4.459 1.00 70.24 H new ATOM 0 HA ALA A 74 -12.637 -22.548 2.281 1.00 54.03 H new ATOM 0 HB1 ALA A 74 -15.088 -22.734 2.003 1.00 74.32 H new ATOM 0 HB2 ALA A 74 -14.341 -24.312 2.346 1.00 74.32 H new ATOM 0 HB3 ALA A 74 -15.211 -23.442 3.631 1.00 74.32 H new ATOM 1140 N PHE A 75 -12.745 -20.268 3.252 1.00 3.44 N ATOM 1141 CA PHE A 75 -12.914 -18.879 3.665 1.00 33.31 C ATOM 1142 C PHE A 75 -13.799 -18.123 2.678 1.00 3.43 C ATOM 1143 O PHE A 75 -13.739 -18.354 1.471 1.00 71.32 O ATOM 1144 CB PHE A 75 -11.553 -18.189 3.780 1.00 35.45 C ATOM 1145 CG PHE A 75 -10.891 -17.945 2.455 1.00 70.02 C ATOM 1146 CD1 PHE A 75 -11.158 -16.792 1.734 1.00 73.30 C ATOM 1147 CD2 PHE A 75 -10.001 -18.868 1.930 1.00 43.33 C ATOM 1148 CE1 PHE A 75 -10.551 -16.565 0.514 1.00 64.55 C ATOM 1149 CE2 PHE A 75 -9.390 -18.646 0.710 1.00 64.11 C ATOM 1150 CZ PHE A 75 -9.664 -17.493 0.001 1.00 13.24 C ATOM 0 H PHE A 75 -11.950 -20.430 2.634 1.00 3.44 H new ATOM 0 HA PHE A 75 -13.400 -18.872 4.641 1.00 33.31 H new ATOM 0 HB2 PHE A 75 -11.680 -17.237 4.295 1.00 35.45 H new ATOM 0 HB3 PHE A 75 -10.896 -18.800 4.398 1.00 35.45 H new ATOM 0 HD1 PHE A 75 -11.849 -16.062 2.130 1.00 73.30 H new ATOM 0 HD2 PHE A 75 -9.782 -19.771 2.480 1.00 43.33 H new ATOM 0 HE1 PHE A 75 -10.769 -15.663 -0.039 1.00 64.55 H new ATOM 0 HE2 PHE A 75 -8.699 -19.374 0.312 1.00 64.11 H new ATOM 0 HZ PHE A 75 -9.187 -17.317 -0.952 1.00 13.24 H new ATOM 1160 N SER A 76 -14.619 -17.217 3.202 1.00 72.41 N ATOM 1161 CA SER A 76 -15.520 -16.429 2.369 1.00 63.24 C ATOM 1162 C SER A 76 -15.902 -15.126 3.064 1.00 60.12 C ATOM 1163 O SER A 76 -17.071 -14.741 3.085 1.00 1.30 O ATOM 1164 CB SER A 76 -16.779 -17.233 2.039 1.00 21.34 C ATOM 1165 OG SER A 76 -17.225 -17.966 3.167 1.00 34.12 O ATOM 0 H SER A 76 -14.678 -17.011 4.199 1.00 72.41 H new ATOM 0 HA SER A 76 -15.000 -16.187 1.442 1.00 63.24 H new ATOM 0 HB2 SER A 76 -17.568 -16.559 1.704 1.00 21.34 H new ATOM 0 HB3 SER A 76 -16.573 -17.916 1.215 1.00 21.34 H new ATOM 0 HG SER A 76 -18.032 -18.470 2.931 1.00 34.12 H new ATOM 1171 N SER A 77 -14.907 -14.452 3.632 1.00 53.21 N ATOM 1172 CA SER A 77 -15.138 -13.194 4.332 1.00 54.42 C ATOM 1173 C SER A 77 -13.821 -12.475 4.607 1.00 61.11 C ATOM 1174 O SER A 77 -12.792 -13.110 4.839 1.00 2.43 O ATOM 1175 CB SER A 77 -15.879 -13.446 5.646 1.00 12.54 C ATOM 1176 OG SER A 77 -17.270 -13.605 5.426 1.00 41.43 O ATOM 0 H SER A 77 -13.933 -14.756 3.621 1.00 53.21 H new ATOM 0 HA SER A 77 -15.752 -12.559 3.693 1.00 54.42 H new ATOM 0 HB2 SER A 77 -15.479 -14.339 6.127 1.00 12.54 H new ATOM 0 HB3 SER A 77 -15.709 -12.613 6.328 1.00 12.54 H new ATOM 0 HG SER A 77 -17.445 -13.662 4.463 1.00 41.43 H new ATOM 1182 N ASP A 78 -13.861 -11.148 4.579 1.00 55.43 N ATOM 1183 CA ASP A 78 -12.672 -10.341 4.826 1.00 40.11 C ATOM 1184 C ASP A 78 -12.016 -10.731 6.147 1.00 64.15 C ATOM 1185 O ASP A 78 -10.790 -10.769 6.254 1.00 74.25 O ATOM 1186 CB ASP A 78 -13.032 -8.854 4.840 1.00 22.45 C ATOM 1187 CG ASP A 78 -13.986 -8.501 5.964 1.00 0.32 C ATOM 1188 OD1 ASP A 78 -15.070 -9.116 6.037 1.00 11.11 O ATOM 1189 OD2 ASP A 78 -13.649 -7.608 6.770 1.00 30.03 O ATOM 0 H ASP A 78 -14.705 -10.608 4.388 1.00 55.43 H new ATOM 0 HA ASP A 78 -11.963 -10.527 4.020 1.00 40.11 H new ATOM 0 HB2 ASP A 78 -12.121 -8.263 4.941 1.00 22.45 H new ATOM 0 HB3 ASP A 78 -13.483 -8.583 3.885 1.00 22.45 H new ATOM 1194 N GLU A 79 -12.840 -11.019 7.149 1.00 1.31 N ATOM 1195 CA GLU A 79 -12.338 -11.404 8.463 1.00 52.20 C ATOM 1196 C GLU A 79 -11.512 -12.684 8.376 1.00 2.31 C ATOM 1197 O GLU A 79 -10.619 -12.914 9.191 1.00 34.33 O ATOM 1198 CB GLU A 79 -13.500 -11.599 9.440 1.00 63.02 C ATOM 1199 CG GLU A 79 -14.304 -12.863 9.184 1.00 11.52 C ATOM 1200 CD GLU A 79 -15.438 -13.043 10.175 1.00 4.11 C ATOM 1201 OE1 GLU A 79 -15.157 -13.400 11.339 1.00 45.54 O ATOM 1202 OE2 GLU A 79 -16.605 -12.828 9.788 1.00 50.03 O ATOM 0 H GLU A 79 -13.857 -10.993 7.076 1.00 1.31 H new ATOM 0 HA GLU A 79 -11.696 -10.602 8.828 1.00 52.20 H new ATOM 0 HB2 GLU A 79 -13.108 -11.627 10.457 1.00 63.02 H new ATOM 0 HB3 GLU A 79 -14.164 -10.737 9.378 1.00 63.02 H new ATOM 0 HG2 GLU A 79 -14.711 -12.832 8.173 1.00 11.52 H new ATOM 0 HG3 GLU A 79 -13.642 -13.727 9.234 1.00 11.52 H new ATOM 1209 N GLU A 80 -11.817 -13.512 7.382 1.00 20.01 N ATOM 1210 CA GLU A 80 -11.103 -14.769 7.190 1.00 74.02 C ATOM 1211 C GLU A 80 -9.771 -14.536 6.483 1.00 0.34 C ATOM 1212 O GLU A 80 -8.798 -15.254 6.716 1.00 61.44 O ATOM 1213 CB GLU A 80 -11.958 -15.747 6.381 1.00 65.41 C ATOM 1214 CG GLU A 80 -13.197 -16.226 7.118 1.00 60.52 C ATOM 1215 CD GLU A 80 -12.866 -16.933 8.418 1.00 70.21 C ATOM 1216 OE1 GLU A 80 -11.734 -17.443 8.545 1.00 65.40 O ATOM 1217 OE2 GLU A 80 -13.741 -16.975 9.309 1.00 65.53 O ATOM 0 H GLU A 80 -12.553 -13.335 6.698 1.00 20.01 H new ATOM 0 HA GLU A 80 -10.903 -15.198 8.172 1.00 74.02 H new ATOM 0 HB2 GLU A 80 -12.262 -15.267 5.451 1.00 65.41 H new ATOM 0 HB3 GLU A 80 -11.350 -16.610 6.111 1.00 65.41 H new ATOM 0 HG2 GLU A 80 -13.843 -15.373 7.327 1.00 60.52 H new ATOM 0 HG3 GLU A 80 -13.759 -16.902 6.474 1.00 60.52 H new ATOM 1224 N LEU A 81 -9.735 -13.527 5.620 1.00 42.11 N ATOM 1225 CA LEU A 81 -8.523 -13.198 4.878 1.00 5.21 C ATOM 1226 C LEU A 81 -7.468 -12.593 5.799 1.00 1.12 C ATOM 1227 O LEU A 81 -6.324 -13.047 5.834 1.00 5.20 O ATOM 1228 CB LEU A 81 -8.844 -12.224 3.743 1.00 10.12 C ATOM 1229 CG LEU A 81 -9.382 -12.848 2.455 1.00 33.13 C ATOM 1230 CD1 LEU A 81 -8.401 -13.872 1.908 1.00 65.34 C ATOM 1231 CD2 LEU A 81 -10.741 -13.487 2.700 1.00 35.20 C ATOM 0 H LEU A 81 -10.531 -12.922 5.417 1.00 42.11 H new ATOM 0 HA LEU A 81 -8.124 -14.120 4.455 1.00 5.21 H new ATOM 0 HB2 LEU A 81 -9.576 -11.502 4.106 1.00 10.12 H new ATOM 0 HB3 LEU A 81 -7.939 -11.667 3.502 1.00 10.12 H new ATOM 0 HG LEU A 81 -9.502 -12.058 1.714 1.00 33.13 H new ATOM 0 HD11 LEU A 81 -8.801 -14.305 0.991 1.00 65.34 H new ATOM 0 HD12 LEU A 81 -7.449 -13.386 1.694 1.00 65.34 H new ATOM 0 HD13 LEU A 81 -8.249 -14.660 2.646 1.00 65.34 H new ATOM 0 HD21 LEU A 81 -11.109 -13.926 1.773 1.00 35.20 H new ATOM 0 HD22 LEU A 81 -10.646 -14.265 3.457 1.00 35.20 H new ATOM 0 HD23 LEU A 81 -11.443 -12.728 3.046 1.00 35.20 H new ATOM 1243 N THR A 82 -7.861 -11.566 6.547 1.00 60.13 N ATOM 1244 CA THR A 82 -6.951 -10.899 7.469 1.00 24.51 C ATOM 1245 C THR A 82 -6.278 -11.903 8.399 1.00 10.31 C ATOM 1246 O THR A 82 -5.156 -11.685 8.856 1.00 53.53 O ATOM 1247 CB THR A 82 -7.684 -9.843 8.317 1.00 42.44 C ATOM 1248 OG1 THR A 82 -6.735 -8.962 8.930 1.00 73.41 O ATOM 1249 CG2 THR A 82 -8.536 -10.505 9.389 1.00 41.22 C ATOM 0 H THR A 82 -8.804 -11.178 6.532 1.00 60.13 H new ATOM 0 HA THR A 82 -6.193 -10.404 6.862 1.00 24.51 H new ATOM 0 HB THR A 82 -8.338 -9.271 7.659 1.00 42.44 H new ATOM 0 HG1 THR A 82 -7.209 -8.293 9.466 1.00 73.41 H new ATOM 0 HG21 THR A 82 -9.044 -9.739 9.975 1.00 41.22 H new ATOM 0 HG22 THR A 82 -9.276 -11.151 8.918 1.00 41.22 H new ATOM 0 HG23 THR A 82 -7.899 -11.100 10.044 1.00 41.22 H new ATOM 1257 N MET A 83 -6.970 -13.003 8.675 1.00 34.12 N ATOM 1258 CA MET A 83 -6.438 -14.041 9.550 1.00 62.20 C ATOM 1259 C MET A 83 -5.515 -14.980 8.780 1.00 63.20 C ATOM 1260 O MET A 83 -4.472 -15.394 9.286 1.00 11.33 O ATOM 1261 CB MET A 83 -7.579 -14.837 10.186 1.00 72.22 C ATOM 1262 CG MET A 83 -7.270 -15.326 11.592 1.00 42.14 C ATOM 1263 SD MET A 83 -8.705 -16.053 12.406 1.00 61.14 S ATOM 1264 CE MET A 83 -9.604 -14.580 12.886 1.00 22.43 C ATOM 0 H MET A 83 -7.900 -13.199 8.305 1.00 34.12 H new ATOM 0 HA MET A 83 -5.860 -13.557 10.337 1.00 62.20 H new ATOM 0 HB2 MET A 83 -8.473 -14.214 10.215 1.00 72.22 H new ATOM 0 HB3 MET A 83 -7.809 -15.695 9.554 1.00 72.22 H new ATOM 0 HG2 MET A 83 -6.469 -16.064 11.548 1.00 42.14 H new ATOM 0 HG3 MET A 83 -6.902 -14.492 12.190 1.00 42.14 H new ATOM 0 HE1 MET A 83 -9.750 -14.579 13.966 1.00 22.43 H new ATOM 0 HE2 MET A 83 -9.036 -13.696 12.595 1.00 22.43 H new ATOM 0 HE3 MET A 83 -10.574 -14.568 12.389 1.00 22.43 H new ATOM 1274 N ALA A 84 -5.905 -15.313 7.554 1.00 34.11 N ATOM 1275 CA ALA A 84 -5.112 -16.202 6.714 1.00 1.23 C ATOM 1276 C ALA A 84 -3.697 -15.664 6.529 1.00 11.21 C ATOM 1277 O ALA A 84 -2.719 -16.391 6.701 1.00 73.03 O ATOM 1278 CB ALA A 84 -5.787 -16.394 5.364 1.00 4.11 C ATOM 0 H ALA A 84 -6.766 -14.980 7.120 1.00 34.11 H new ATOM 0 HA ALA A 84 -5.043 -17.168 7.213 1.00 1.23 H new ATOM 0 HB1 ALA A 84 -5.184 -17.060 4.747 1.00 4.11 H new ATOM 0 HB2 ALA A 84 -6.775 -16.830 5.510 1.00 4.11 H new ATOM 0 HB3 ALA A 84 -5.886 -15.429 4.866 1.00 4.11 H new ATOM 1284 N MET A 85 -3.596 -14.386 6.177 1.00 31.22 N ATOM 1285 CA MET A 85 -2.300 -13.751 5.969 1.00 22.52 C ATOM 1286 C MET A 85 -1.456 -13.810 7.238 1.00 23.54 C ATOM 1287 O MET A 85 -0.229 -13.723 7.184 1.00 70.11 O ATOM 1288 CB MET A 85 -2.484 -12.297 5.533 1.00 54.22 C ATOM 1289 CG MET A 85 -3.332 -12.141 4.280 1.00 1.05 C ATOM 1290 SD MET A 85 -3.073 -10.557 3.459 1.00 11.34 S ATOM 1291 CE MET A 85 -2.925 -11.080 1.753 1.00 62.01 C ATOM 0 H MET A 85 -4.396 -13.770 6.030 1.00 31.22 H new ATOM 0 HA MET A 85 -1.779 -14.296 5.181 1.00 22.52 H new ATOM 0 HB2 MET A 85 -2.946 -11.738 6.347 1.00 54.22 H new ATOM 0 HB3 MET A 85 -1.505 -11.852 5.357 1.00 54.22 H new ATOM 0 HG2 MET A 85 -3.099 -12.948 3.586 1.00 1.05 H new ATOM 0 HG3 MET A 85 -4.385 -12.241 4.544 1.00 1.05 H new ATOM 0 HE1 MET A 85 -2.761 -10.209 1.118 1.00 62.01 H new ATOM 0 HE2 MET A 85 -2.083 -11.765 1.654 1.00 62.01 H new ATOM 0 HE3 MET A 85 -3.841 -11.585 1.446 1.00 62.01 H new ATOM 1301 N SER A 86 -2.121 -13.959 8.380 1.00 44.23 N ATOM 1302 CA SER A 86 -1.431 -14.025 9.663 1.00 72.30 C ATOM 1303 C SER A 86 -0.574 -15.284 9.754 1.00 3.15 C ATOM 1304 O SER A 86 0.371 -15.349 10.542 1.00 73.33 O ATOM 1305 CB SER A 86 -2.442 -13.999 10.811 1.00 51.31 C ATOM 1306 OG SER A 86 -1.842 -13.537 12.009 1.00 42.14 O ATOM 0 H SER A 86 -3.136 -14.036 8.442 1.00 44.23 H new ATOM 0 HA SER A 86 -0.779 -13.155 9.743 1.00 72.30 H new ATOM 0 HB2 SER A 86 -3.280 -13.353 10.548 1.00 51.31 H new ATOM 0 HB3 SER A 86 -2.847 -14.999 10.966 1.00 51.31 H new ATOM 0 HG SER A 86 -2.509 -13.528 12.727 1.00 42.14 H new ATOM 1312 N TYR A 87 -0.910 -16.281 8.944 1.00 61.01 N ATOM 1313 CA TYR A 87 -0.173 -17.539 8.934 1.00 73.40 C ATOM 1314 C TYR A 87 0.943 -17.509 7.895 1.00 44.20 C ATOM 1315 O TYR A 87 1.921 -18.251 7.995 1.00 53.24 O ATOM 1316 CB TYR A 87 -1.120 -18.706 8.647 1.00 22.35 C ATOM 1317 CG TYR A 87 -2.216 -18.863 9.677 1.00 73.43 C ATOM 1318 CD1 TYR A 87 -3.387 -18.120 9.593 1.00 41.13 C ATOM 1319 CD2 TYR A 87 -2.082 -19.756 10.733 1.00 63.32 C ATOM 1320 CE1 TYR A 87 -4.391 -18.260 10.531 1.00 2.23 C ATOM 1321 CE2 TYR A 87 -3.081 -19.904 11.675 1.00 10.22 C ATOM 1322 CZ TYR A 87 -4.233 -19.153 11.570 1.00 33.04 C ATOM 1323 OH TYR A 87 -5.232 -19.296 12.507 1.00 64.33 O ATOM 0 H TYR A 87 -1.688 -16.243 8.286 1.00 61.01 H new ATOM 0 HA TYR A 87 0.275 -17.676 9.918 1.00 73.40 H new ATOM 0 HB2 TYR A 87 -1.573 -18.563 7.666 1.00 22.35 H new ATOM 0 HB3 TYR A 87 -0.542 -19.629 8.600 1.00 22.35 H new ATOM 0 HD1 TYR A 87 -3.514 -17.421 8.780 1.00 41.13 H new ATOM 0 HD2 TYR A 87 -1.181 -20.345 10.819 1.00 63.32 H new ATOM 0 HE1 TYR A 87 -5.294 -17.674 10.451 1.00 2.23 H new ATOM 0 HE2 TYR A 87 -2.961 -20.604 12.489 1.00 10.22 H new ATOM 0 HH TYR A 87 -4.964 -19.965 13.171 1.00 64.33 H new ATOM 1333 N VAL A 88 0.791 -16.644 6.897 1.00 10.32 N ATOM 1334 CA VAL A 88 1.786 -16.513 5.840 1.00 61.34 C ATOM 1335 C VAL A 88 2.929 -15.600 6.270 1.00 72.33 C ATOM 1336 O VAL A 88 2.803 -14.376 6.244 1.00 4.21 O ATOM 1337 CB VAL A 88 1.161 -15.960 4.546 1.00 54.15 C ATOM 1338 CG1 VAL A 88 2.189 -15.930 3.425 1.00 21.33 C ATOM 1339 CG2 VAL A 88 -0.052 -16.786 4.145 1.00 15.20 C ATOM 0 H VAL A 88 -0.012 -16.023 6.799 1.00 10.32 H new ATOM 0 HA VAL A 88 2.176 -17.512 5.648 1.00 61.34 H new ATOM 0 HB VAL A 88 0.832 -14.938 4.731 1.00 54.15 H new ATOM 0 HG11 VAL A 88 1.728 -15.536 2.519 1.00 21.33 H new ATOM 0 HG12 VAL A 88 3.024 -15.292 3.714 1.00 21.33 H new ATOM 0 HG13 VAL A 88 2.552 -16.940 3.237 1.00 21.33 H new ATOM 0 HG21 VAL A 88 -0.481 -16.381 3.229 1.00 15.20 H new ATOM 0 HG22 VAL A 88 0.251 -17.820 3.978 1.00 15.20 H new ATOM 0 HG23 VAL A 88 -0.796 -16.750 4.941 1.00 15.20 H new ATOM 1349 N LYS A 89 4.044 -16.204 6.665 1.00 65.12 N ATOM 1350 CA LYS A 89 5.212 -15.447 7.099 1.00 2.24 C ATOM 1351 C LYS A 89 5.955 -14.859 5.904 1.00 64.20 C ATOM 1352 O LYS A 89 6.686 -13.878 6.037 1.00 44.41 O ATOM 1353 CB LYS A 89 6.153 -16.341 7.909 1.00 24.32 C ATOM 1354 CG LYS A 89 5.778 -16.448 9.377 1.00 73.40 C ATOM 1355 CD LYS A 89 6.007 -15.136 10.108 1.00 32.44 C ATOM 1356 CE LYS A 89 6.193 -15.356 11.602 1.00 44.02 C ATOM 1357 NZ LYS A 89 7.470 -16.062 11.904 1.00 54.44 N ATOM 0 H LYS A 89 4.164 -17.217 6.694 1.00 65.12 H new ATOM 0 HA LYS A 89 4.868 -14.627 7.729 1.00 2.24 H new ATOM 0 HB2 LYS A 89 6.159 -17.339 7.471 1.00 24.32 H new ATOM 0 HB3 LYS A 89 7.168 -15.952 7.830 1.00 24.32 H new ATOM 0 HG2 LYS A 89 4.731 -16.737 9.466 1.00 73.40 H new ATOM 0 HG3 LYS A 89 6.367 -17.235 9.847 1.00 73.40 H new ATOM 0 HD2 LYS A 89 6.887 -14.640 9.700 1.00 32.44 H new ATOM 0 HD3 LYS A 89 5.160 -14.472 9.940 1.00 32.44 H new ATOM 0 HE2 LYS A 89 6.179 -14.394 12.115 1.00 44.02 H new ATOM 0 HE3 LYS A 89 5.356 -15.937 11.991 1.00 44.02 H new ATOM 0 HZ1 LYS A 89 7.747 -15.872 12.888 1.00 54.44 H new ATOM 0 HZ2 LYS A 89 7.340 -17.085 11.772 1.00 54.44 H new ATOM 0 HZ3 LYS A 89 8.215 -15.722 11.263 1.00 54.44 H new ATOM 1371 N ASP A 90 5.763 -15.465 4.738 1.00 53.15 N ATOM 1372 CA ASP A 90 6.413 -15.000 3.518 1.00 51.12 C ATOM 1373 C ASP A 90 5.485 -14.089 2.720 1.00 34.24 C ATOM 1374 O ASP A 90 4.436 -13.671 3.212 1.00 71.51 O ATOM 1375 CB ASP A 90 6.843 -16.190 2.658 1.00 14.31 C ATOM 1376 CG ASP A 90 7.446 -17.311 3.481 1.00 10.22 C ATOM 1377 OD1 ASP A 90 8.672 -17.279 3.720 1.00 15.53 O ATOM 1378 OD2 ASP A 90 6.693 -18.220 3.887 1.00 74.00 O ATOM 0 H ASP A 90 5.162 -16.280 4.611 1.00 53.15 H new ATOM 0 HA ASP A 90 7.297 -14.429 3.802 1.00 51.12 H new ATOM 0 HB2 ASP A 90 5.980 -16.569 2.110 1.00 14.31 H new ATOM 0 HB3 ASP A 90 7.569 -15.856 1.917 1.00 14.31 H new ATOM 1383 N ASP A 91 5.878 -13.785 1.489 1.00 52.34 N ATOM 1384 CA ASP A 91 5.081 -12.923 0.623 1.00 61.23 C ATOM 1385 C ASP A 91 4.288 -13.750 -0.385 1.00 10.41 C ATOM 1386 O ASP A 91 3.926 -13.261 -1.456 1.00 4.44 O ATOM 1387 CB ASP A 91 5.982 -11.929 -0.111 1.00 51.43 C ATOM 1388 CG ASP A 91 7.168 -12.601 -0.773 1.00 63.43 C ATOM 1389 OD1 ASP A 91 8.163 -12.878 -0.070 1.00 35.33 O ATOM 1390 OD2 ASP A 91 7.102 -12.852 -1.995 1.00 3.23 O ATOM 0 H ASP A 91 6.743 -14.122 1.067 1.00 52.34 H new ATOM 0 HA ASP A 91 4.378 -12.372 1.247 1.00 61.23 H new ATOM 0 HB2 ASP A 91 5.398 -11.403 -0.866 1.00 51.43 H new ATOM 0 HB3 ASP A 91 6.340 -11.179 0.594 1.00 51.43 H new ATOM 1395 N ILE A 92 4.022 -15.004 -0.035 1.00 42.41 N ATOM 1396 CA ILE A 92 3.272 -15.897 -0.909 1.00 22.21 C ATOM 1397 C ILE A 92 2.065 -16.486 -0.187 1.00 54.04 C ATOM 1398 O ILE A 92 2.208 -17.187 0.814 1.00 34.43 O ATOM 1399 CB ILE A 92 4.155 -17.046 -1.431 1.00 31.45 C ATOM 1400 CG1 ILE A 92 5.449 -16.493 -2.030 1.00 51.35 C ATOM 1401 CG2 ILE A 92 3.397 -17.871 -2.461 1.00 3.34 C ATOM 1402 CD1 ILE A 92 6.382 -17.565 -2.549 1.00 53.31 C ATOM 0 H ILE A 92 4.315 -15.424 0.847 1.00 42.41 H new ATOM 0 HA ILE A 92 2.931 -15.299 -1.754 1.00 22.21 H new ATOM 0 HB ILE A 92 4.413 -17.695 -0.594 1.00 31.45 H new ATOM 0 HG12 ILE A 92 5.201 -15.813 -2.845 1.00 51.35 H new ATOM 0 HG13 ILE A 92 5.969 -15.906 -1.273 1.00 51.35 H new ATOM 0 HG21 ILE A 92 4.034 -18.679 -2.820 1.00 3.34 H new ATOM 0 HG22 ILE A 92 2.502 -18.291 -2.003 1.00 3.34 H new ATOM 0 HG23 ILE A 92 3.111 -17.234 -3.298 1.00 3.34 H new ATOM 0 HD11 ILE A 92 7.278 -17.100 -2.959 1.00 53.31 H new ATOM 0 HD12 ILE A 92 6.660 -18.232 -1.733 1.00 53.31 H new ATOM 0 HD13 ILE A 92 5.881 -18.137 -3.330 1.00 53.31 H new ATOM 1414 N PHE A 93 0.875 -16.197 -0.704 1.00 72.42 N ATOM 1415 CA PHE A 93 -0.359 -16.699 -0.110 1.00 2.10 C ATOM 1416 C PHE A 93 -0.913 -17.871 -0.915 1.00 11.31 C ATOM 1417 O PHE A 93 -1.416 -17.693 -2.024 1.00 54.32 O ATOM 1418 CB PHE A 93 -1.402 -15.582 -0.029 1.00 62.24 C ATOM 1419 CG PHE A 93 -2.693 -16.013 0.605 1.00 11.35 C ATOM 1420 CD1 PHE A 93 -2.691 -16.783 1.757 1.00 13.23 C ATOM 1421 CD2 PHE A 93 -3.909 -15.648 0.050 1.00 1.30 C ATOM 1422 CE1 PHE A 93 -3.878 -17.180 2.344 1.00 22.43 C ATOM 1423 CE2 PHE A 93 -5.098 -16.042 0.633 1.00 55.13 C ATOM 1424 CZ PHE A 93 -5.083 -16.810 1.780 1.00 30.25 C ATOM 0 H PHE A 93 0.739 -15.618 -1.533 1.00 72.42 H new ATOM 0 HA PHE A 93 -0.132 -17.048 0.897 1.00 2.10 H new ATOM 0 HB2 PHE A 93 -0.988 -14.749 0.539 1.00 62.24 H new ATOM 0 HB3 PHE A 93 -1.606 -15.212 -1.034 1.00 62.24 H new ATOM 0 HD1 PHE A 93 -1.751 -17.076 2.201 1.00 13.23 H new ATOM 0 HD2 PHE A 93 -3.928 -15.049 -0.848 1.00 1.30 H new ATOM 0 HE1 PHE A 93 -3.863 -17.779 3.243 1.00 22.43 H new ATOM 0 HE2 PHE A 93 -6.039 -15.749 0.191 1.00 55.13 H new ATOM 0 HZ PHE A 93 -6.012 -17.121 2.235 1.00 30.25 H new ATOM 1434 N ARG A 94 -0.816 -19.069 -0.348 1.00 0.20 N ATOM 1435 CA ARG A 94 -1.306 -20.270 -1.013 1.00 25.54 C ATOM 1436 C ARG A 94 -2.734 -20.588 -0.579 1.00 43.03 C ATOM 1437 O ARG A 94 -3.100 -20.388 0.579 1.00 12.31 O ATOM 1438 CB ARG A 94 -0.392 -21.458 -0.704 1.00 43.11 C ATOM 1439 CG ARG A 94 0.860 -21.503 -1.565 1.00 72.25 C ATOM 1440 CD ARG A 94 2.019 -22.156 -0.829 1.00 44.33 C ATOM 1441 NE ARG A 94 2.452 -23.392 -1.476 1.00 1.22 N ATOM 1442 CZ ARG A 94 1.826 -24.554 -1.332 1.00 73.43 C ATOM 1443 NH1 ARG A 94 0.745 -24.639 -0.569 1.00 53.03 N ATOM 1444 NH2 ARG A 94 2.280 -25.635 -1.953 1.00 63.42 N ATOM 0 H ARG A 94 -0.403 -19.234 0.570 1.00 0.20 H new ATOM 0 HA ARG A 94 -1.303 -20.087 -2.087 1.00 25.54 H new ATOM 0 HB2 ARG A 94 -0.100 -21.418 0.345 1.00 43.11 H new ATOM 0 HB3 ARG A 94 -0.952 -22.383 -0.844 1.00 43.11 H new ATOM 0 HG2 ARG A 94 0.653 -22.055 -2.482 1.00 72.25 H new ATOM 0 HG3 ARG A 94 1.138 -20.491 -1.858 1.00 72.25 H new ATOM 0 HD2 ARG A 94 2.856 -21.460 -0.781 1.00 44.33 H new ATOM 0 HD3 ARG A 94 1.722 -22.369 0.198 1.00 44.33 H new ATOM 0 HE ARG A 94 3.280 -23.361 -2.071 1.00 1.22 H new ATOM 0 HH11 ARG A 94 0.392 -23.810 -0.091 1.00 53.03 H new ATOM 0 HH12 ARG A 94 0.266 -25.533 -0.460 1.00 53.03 H new ATOM 0 HH21 ARG A 94 3.111 -25.574 -2.542 1.00 63.42 H new ATOM 0 HH22 ARG A 94 1.798 -26.527 -1.842 1.00 63.42 H new ATOM 1458 N ILE A 95 -3.535 -21.083 -1.517 1.00 3.03 N ATOM 1459 CA ILE A 95 -4.922 -21.428 -1.231 1.00 63.33 C ATOM 1460 C ILE A 95 -5.414 -22.537 -2.156 1.00 3.41 C ATOM 1461 O ILE A 95 -4.957 -22.659 -3.293 1.00 32.43 O ATOM 1462 CB ILE A 95 -5.847 -20.206 -1.376 1.00 14.12 C ATOM 1463 CG1 ILE A 95 -5.584 -19.494 -2.704 1.00 55.13 C ATOM 1464 CG2 ILE A 95 -5.649 -19.251 -0.208 1.00 54.34 C ATOM 1465 CD1 ILE A 95 -6.477 -18.294 -2.934 1.00 60.40 C ATOM 0 H ILE A 95 -3.247 -21.254 -2.481 1.00 3.03 H new ATOM 0 HA ILE A 95 -4.954 -21.777 -0.199 1.00 63.33 H new ATOM 0 HB ILE A 95 -6.882 -20.549 -1.369 1.00 14.12 H new ATOM 0 HG12 ILE A 95 -4.543 -19.173 -2.735 1.00 55.13 H new ATOM 0 HG13 ILE A 95 -5.724 -20.202 -3.521 1.00 55.13 H new ATOM 0 HG21 ILE A 95 -6.310 -18.392 -0.324 1.00 54.34 H new ATOM 0 HG22 ILE A 95 -5.882 -19.764 0.725 1.00 54.34 H new ATOM 0 HG23 ILE A 95 -4.613 -18.912 -0.187 1.00 54.34 H new ATOM 0 HD11 ILE A 95 -6.235 -17.839 -3.894 1.00 60.40 H new ATOM 0 HD12 ILE A 95 -7.520 -18.611 -2.936 1.00 60.40 H new ATOM 0 HD13 ILE A 95 -6.321 -17.566 -2.138 1.00 60.40 H new ATOM 1477 N TYR A 96 -6.348 -23.340 -1.661 1.00 75.43 N ATOM 1478 CA TYR A 96 -6.903 -24.440 -2.443 1.00 1.54 C ATOM 1479 C TYR A 96 -8.268 -24.068 -3.013 1.00 34.22 C ATOM 1480 O TYR A 96 -9.238 -23.901 -2.272 1.00 42.42 O ATOM 1481 CB TYR A 96 -7.023 -25.697 -1.580 1.00 1.34 C ATOM 1482 CG TYR A 96 -5.697 -26.202 -1.058 1.00 2.23 C ATOM 1483 CD1 TYR A 96 -5.044 -25.551 -0.018 1.00 10.01 C ATOM 1484 CD2 TYR A 96 -5.096 -27.329 -1.605 1.00 11.24 C ATOM 1485 CE1 TYR A 96 -3.832 -26.008 0.462 1.00 61.21 C ATOM 1486 CE2 TYR A 96 -3.885 -27.794 -1.130 1.00 60.02 C ATOM 1487 CZ TYR A 96 -3.257 -27.130 -0.097 1.00 63.31 C ATOM 1488 OH TYR A 96 -2.050 -27.590 0.377 1.00 5.23 O ATOM 0 H TYR A 96 -6.737 -23.251 -0.722 1.00 75.43 H new ATOM 0 HA TYR A 96 -6.225 -24.641 -3.273 1.00 1.54 H new ATOM 0 HB2 TYR A 96 -7.680 -25.487 -0.736 1.00 1.34 H new ATOM 0 HB3 TYR A 96 -7.498 -26.485 -2.165 1.00 1.34 H new ATOM 0 HD1 TYR A 96 -5.492 -24.673 0.423 1.00 10.01 H new ATOM 0 HD2 TYR A 96 -5.584 -27.850 -2.415 1.00 11.24 H new ATOM 0 HE1 TYR A 96 -3.338 -25.490 1.270 1.00 61.21 H new ATOM 0 HE2 TYR A 96 -3.432 -28.673 -1.565 1.00 60.02 H new ATOM 0 HH TYR A 96 -1.785 -28.389 -0.124 1.00 5.23 H new ATOM 1498 N ILE A 97 -8.336 -23.942 -4.334 1.00 11.02 N ATOM 1499 CA ILE A 97 -9.582 -23.592 -5.004 1.00 71.54 C ATOM 1500 C ILE A 97 -10.387 -24.840 -5.353 1.00 54.40 C ATOM 1501 O ILE A 97 -9.852 -25.807 -5.895 1.00 50.44 O ATOM 1502 CB ILE A 97 -9.322 -22.787 -6.291 1.00 13.41 C ATOM 1503 CG1 ILE A 97 -8.320 -21.663 -6.021 1.00 2.41 C ATOM 1504 CG2 ILE A 97 -10.626 -22.222 -6.834 1.00 51.35 C ATOM 1505 CD1 ILE A 97 -8.752 -20.719 -4.920 1.00 61.23 C ATOM 0 H ILE A 97 -7.543 -24.077 -4.961 1.00 11.02 H new ATOM 0 HA ILE A 97 -10.152 -22.976 -4.309 1.00 71.54 H new ATOM 0 HB ILE A 97 -8.897 -23.455 -7.041 1.00 13.41 H new ATOM 0 HG12 ILE A 97 -7.358 -22.101 -5.756 1.00 2.41 H new ATOM 0 HG13 ILE A 97 -8.169 -21.094 -6.938 1.00 2.41 H new ATOM 0 HG21 ILE A 97 -10.426 -21.656 -7.744 1.00 51.35 H new ATOM 0 HG22 ILE A 97 -11.311 -23.039 -7.059 1.00 51.35 H new ATOM 0 HG23 ILE A 97 -11.076 -21.566 -6.089 1.00 51.35 H new ATOM 0 HD11 ILE A 97 -7.994 -19.948 -4.783 1.00 61.23 H new ATOM 0 HD12 ILE A 97 -9.699 -20.253 -5.191 1.00 61.23 H new ATOM 0 HD13 ILE A 97 -8.875 -21.276 -3.991 1.00 61.23 H new ATOM 1517 N LYS A 98 -11.678 -24.810 -5.040 1.00 33.44 N ATOM 1518 CA LYS A 98 -12.560 -25.937 -5.322 1.00 13.51 C ATOM 1519 C LYS A 98 -13.934 -25.452 -5.775 1.00 2.30 C ATOM 1520 O LYS A 98 -14.562 -24.629 -5.109 1.00 62.50 O ATOM 1521 CB LYS A 98 -12.704 -26.822 -4.082 1.00 2.11 C ATOM 1522 CG LYS A 98 -11.762 -28.014 -4.073 1.00 55.14 C ATOM 1523 CD LYS A 98 -12.259 -29.110 -3.145 1.00 43.30 C ATOM 1524 CE LYS A 98 -11.653 -30.459 -3.502 1.00 13.35 C ATOM 1525 NZ LYS A 98 -12.568 -31.584 -3.164 1.00 14.12 N ATOM 0 H LYS A 98 -12.137 -24.018 -4.591 1.00 33.44 H new ATOM 0 HA LYS A 98 -12.115 -26.521 -6.128 1.00 13.51 H new ATOM 0 HB2 LYS A 98 -12.522 -26.219 -3.192 1.00 2.11 H new ATOM 0 HB3 LYS A 98 -13.731 -27.181 -4.019 1.00 2.11 H new ATOM 0 HG2 LYS A 98 -11.664 -28.409 -5.084 1.00 55.14 H new ATOM 0 HG3 LYS A 98 -10.769 -27.692 -3.759 1.00 55.14 H new ATOM 0 HD2 LYS A 98 -12.007 -28.858 -2.115 1.00 43.30 H new ATOM 0 HD3 LYS A 98 -13.346 -29.171 -3.202 1.00 43.30 H new ATOM 0 HE2 LYS A 98 -11.425 -30.484 -4.567 1.00 13.35 H new ATOM 0 HE3 LYS A 98 -10.710 -30.586 -2.971 1.00 13.35 H new ATOM 0 HZ1 LYS A 98 -12.481 -32.330 -3.883 1.00 14.12 H new ATOM 0 HZ2 LYS A 98 -12.315 -31.970 -2.232 1.00 14.12 H new ATOM 0 HZ3 LYS A 98 -13.549 -31.239 -3.141 1.00 14.12 H new ATOM 1539 N GLU A 99 -14.394 -25.968 -6.910 1.00 43.25 N ATOM 1540 CA GLU A 99 -15.693 -25.587 -7.451 1.00 14.33 C ATOM 1541 C GLU A 99 -16.820 -26.308 -6.717 1.00 13.23 C ATOM 1542 O GLU A 99 -16.750 -27.514 -6.478 1.00 41.40 O ATOM 1543 CB GLU A 99 -15.761 -25.901 -8.947 1.00 21.44 C ATOM 1544 CG GLU A 99 -15.397 -27.338 -9.283 1.00 54.24 C ATOM 1545 CD GLU A 99 -16.519 -28.072 -9.993 1.00 24.35 C ATOM 1546 OE1 GLU A 99 -17.562 -28.322 -9.354 1.00 52.21 O ATOM 1547 OE2 GLU A 99 -16.352 -28.397 -11.187 1.00 24.42 O ATOM 0 H GLU A 99 -13.886 -26.651 -7.473 1.00 43.25 H new ATOM 0 HA GLU A 99 -15.817 -24.514 -7.307 1.00 14.33 H new ATOM 0 HB2 GLU A 99 -16.769 -25.696 -9.307 1.00 21.44 H new ATOM 0 HB3 GLU A 99 -15.089 -25.230 -9.482 1.00 21.44 H new ATOM 0 HG2 GLU A 99 -14.507 -27.346 -9.912 1.00 54.24 H new ATOM 0 HG3 GLU A 99 -15.144 -27.869 -8.365 1.00 54.24 H new ATOM 1554 N LYS A 100 -17.860 -25.561 -6.360 1.00 44.55 N ATOM 1555 CA LYS A 100 -19.003 -26.126 -5.654 1.00 60.12 C ATOM 1556 C LYS A 100 -19.776 -27.087 -6.552 1.00 11.20 C ATOM 1557 O LYS A 100 -21.007 -27.121 -6.527 1.00 23.13 O ATOM 1558 CB LYS A 100 -19.930 -25.010 -5.166 1.00 24.43 C ATOM 1559 CG LYS A 100 -19.263 -24.044 -4.202 1.00 22.32 C ATOM 1560 CD LYS A 100 -20.278 -23.377 -3.290 1.00 13.51 C ATOM 1561 CE LYS A 100 -20.769 -22.060 -3.872 1.00 53.11 C ATOM 1562 NZ LYS A 100 -21.851 -21.457 -3.045 1.00 51.12 N ATOM 0 H LYS A 100 -17.934 -24.561 -6.549 1.00 44.55 H new ATOM 0 HA LYS A 100 -18.629 -26.681 -4.794 1.00 60.12 H new ATOM 0 HB2 LYS A 100 -20.300 -24.454 -6.027 1.00 24.43 H new ATOM 0 HB3 LYS A 100 -20.797 -25.456 -4.679 1.00 24.43 H new ATOM 0 HG2 LYS A 100 -18.528 -24.578 -3.600 1.00 22.32 H new ATOM 0 HG3 LYS A 100 -18.722 -23.283 -4.764 1.00 22.32 H new ATOM 0 HD2 LYS A 100 -21.125 -24.046 -3.135 1.00 13.51 H new ATOM 0 HD3 LYS A 100 -19.829 -23.199 -2.313 1.00 13.51 H new ATOM 0 HE2 LYS A 100 -19.935 -21.362 -3.944 1.00 53.11 H new ATOM 0 HE3 LYS A 100 -21.135 -22.225 -4.885 1.00 53.11 H new ATOM 0 HZ1 LYS A 100 -22.158 -20.561 -3.475 1.00 51.12 H new ATOM 0 HZ2 LYS A 100 -22.657 -22.112 -2.997 1.00 51.12 H new ATOM 0 HZ3 LYS A 100 -21.494 -21.276 -2.085 1.00 51.12 H new