USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 613 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 29 LYS NZ :NH3+ -113:sc= 0.2 (180deg=0.0262) USER MOD Set 1.2: A 33 SER OG : rot -170:sc= 0.295 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= -0.312 USER MOD Set 2.2: A 18 GLN : amide:sc= 1.45 K(o=1.1,f=-7.8!) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.532 (180deg=0.139) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -170:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -116:sc= 0.826 (180deg=-0.00347) USER MOD Single : A 27 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.111) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.487 K(o=0.49,f=-0.16) USER MOD Single : A 57 ASN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= 0.51 (180deg=0.125) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.991 5.496 1.663 1.00 34.53 N ATOM 2 CA GLY A 1 22.052 4.573 2.080 1.00 32.24 C ATOM 3 C GLY A 1 21.472 3.233 2.490 1.00 61.34 C ATOM 4 O GLY A 1 20.347 3.183 2.986 1.00 34.42 O ATOM 0 H1 GLY A 1 21.225 6.459 1.978 1.00 34.53 H new ATOM 0 H2 GLY A 1 20.906 5.482 0.627 1.00 34.53 H new ATOM 0 H3 GLY A 1 20.088 5.202 2.088 1.00 34.53 H new ATOM 0 HA2 GLY A 1 22.760 4.433 1.263 1.00 32.24 H new ATOM 0 HA3 GLY A 1 22.608 5.004 2.913 1.00 32.24 H new ATOM 8 N ALA A 2 22.255 2.160 2.336 1.00 63.54 N ATOM 9 CA ALA A 2 21.815 0.765 2.303 1.00 2.14 C ATOM 10 C ALA A 2 20.789 0.535 1.175 1.00 12.03 C ATOM 11 O ALA A 2 19.588 0.402 1.439 1.00 4.13 O ATOM 12 CB ALA A 2 21.343 0.278 3.682 1.00 61.23 C ATOM 0 H ALA A 2 23.265 2.248 2.225 1.00 63.54 H new ATOM 0 HA ALA A 2 22.675 0.141 2.062 1.00 2.14 H new ATOM 0 HB1 ALA A 2 21.025 -0.762 3.611 1.00 61.23 H new ATOM 0 HB2 ALA A 2 22.162 0.360 4.397 1.00 61.23 H new ATOM 0 HB3 ALA A 2 20.506 0.891 4.017 1.00 61.23 H new ATOM 18 N PRO A 3 21.234 0.468 -0.095 1.00 20.45 N ATOM 19 CA PRO A 3 20.387 0.124 -1.232 1.00 73.41 C ATOM 20 C PRO A 3 20.056 -1.377 -1.188 1.00 54.33 C ATOM 21 O PRO A 3 20.671 -2.194 -1.881 1.00 60.14 O ATOM 22 CB PRO A 3 21.205 0.521 -2.465 1.00 43.10 C ATOM 23 CG PRO A 3 22.638 0.254 -2.010 1.00 11.33 C ATOM 24 CD PRO A 3 22.609 0.667 -0.541 1.00 44.20 C ATOM 0 HA PRO A 3 19.426 0.638 -1.235 1.00 73.41 H new ATOM 0 HB2 PRO A 3 20.939 -0.075 -3.338 1.00 43.10 H new ATOM 0 HB3 PRO A 3 21.053 1.566 -2.734 1.00 43.10 H new ATOM 0 HG2 PRO A 3 22.912 -0.794 -2.130 1.00 11.33 H new ATOM 0 HG3 PRO A 3 23.359 0.839 -2.581 1.00 11.33 H new ATOM 0 HD2 PRO A 3 23.301 0.065 0.047 1.00 44.20 H new ATOM 0 HD3 PRO A 3 22.911 1.707 -0.422 1.00 44.20 H new ATOM 32 N GLY A 4 19.147 -1.783 -0.303 1.00 53.34 N ATOM 33 CA GLY A 4 18.903 -3.186 -0.026 1.00 43.21 C ATOM 34 C GLY A 4 17.788 -3.324 0.991 1.00 11.13 C ATOM 35 O GLY A 4 17.982 -2.993 2.163 1.00 15.01 O ATOM 0 H GLY A 4 18.563 -1.145 0.238 1.00 53.34 H new ATOM 0 HA2 GLY A 4 18.635 -3.706 -0.946 1.00 43.21 H new ATOM 0 HA3 GLY A 4 19.812 -3.655 0.352 1.00 43.21 H new ATOM 39 N GLY A 5 16.625 -3.774 0.525 1.00 40.00 N ATOM 40 CA GLY A 5 15.453 -4.069 1.332 1.00 63.12 C ATOM 41 C GLY A 5 14.360 -4.670 0.453 1.00 72.23 C ATOM 42 O GLY A 5 13.257 -4.126 0.388 1.00 32.53 O ATOM 0 H GLY A 5 16.472 -3.949 -0.468 1.00 40.00 H new ATOM 0 HA2 GLY A 5 15.715 -4.764 2.130 1.00 63.12 H new ATOM 0 HA3 GLY A 5 15.090 -3.159 1.809 1.00 63.12 H new ATOM 46 N LYS A 6 14.667 -5.751 -0.274 1.00 13.24 N ATOM 47 CA LYS A 6 13.734 -6.402 -1.195 1.00 32.42 C ATOM 48 C LYS A 6 12.902 -7.431 -0.423 1.00 3.01 C ATOM 49 O LYS A 6 13.456 -8.450 -0.001 1.00 44.03 O ATOM 50 CB LYS A 6 14.528 -7.037 -2.359 1.00 11.01 C ATOM 51 CG LYS A 6 13.662 -7.799 -3.379 1.00 72.54 C ATOM 52 CD LYS A 6 12.677 -6.934 -4.188 1.00 61.10 C ATOM 53 CE LYS A 6 13.156 -6.600 -5.608 1.00 55.40 C ATOM 54 NZ LYS A 6 14.286 -5.657 -5.657 1.00 32.23 N ATOM 0 H LYS A 6 15.581 -6.202 -0.237 1.00 13.24 H new ATOM 0 HA LYS A 6 13.043 -5.678 -1.627 1.00 32.42 H new ATOM 0 HB2 LYS A 6 15.075 -6.252 -2.880 1.00 11.01 H new ATOM 0 HB3 LYS A 6 15.269 -7.722 -1.946 1.00 11.01 H new ATOM 0 HG2 LYS A 6 14.322 -8.316 -4.076 1.00 72.54 H new ATOM 0 HG3 LYS A 6 13.096 -8.565 -2.849 1.00 72.54 H new ATOM 0 HD2 LYS A 6 11.721 -7.454 -4.251 1.00 61.10 H new ATOM 0 HD3 LYS A 6 12.499 -6.004 -3.648 1.00 61.10 H new ATOM 0 HE2 LYS A 6 13.446 -7.524 -6.108 1.00 55.40 H new ATOM 0 HE3 LYS A 6 12.322 -6.181 -6.171 1.00 55.40 H new ATOM 0 HZ1 LYS A 6 14.550 -5.483 -6.648 1.00 32.23 H new ATOM 0 HZ2 LYS A 6 14.009 -4.760 -5.209 1.00 32.23 H new ATOM 0 HZ3 LYS A 6 15.098 -6.061 -5.148 1.00 32.23 H new ATOM 68 N SER A 7 11.593 -7.219 -0.264 1.00 55.04 N ATOM 69 CA SER A 7 10.699 -8.135 0.453 1.00 32.13 C ATOM 70 C SER A 7 9.394 -8.303 -0.324 1.00 3.41 C ATOM 71 O SER A 7 8.801 -7.308 -0.735 1.00 55.35 O ATOM 72 CB SER A 7 10.393 -7.598 1.859 1.00 75.22 C ATOM 73 OG SER A 7 11.518 -6.988 2.461 1.00 0.44 O ATOM 0 H SER A 7 11.117 -6.396 -0.634 1.00 55.04 H new ATOM 0 HA SER A 7 11.195 -9.101 0.544 1.00 32.13 H new ATOM 0 HB2 SER A 7 9.580 -6.875 1.799 1.00 75.22 H new ATOM 0 HB3 SER A 7 10.046 -8.416 2.490 1.00 75.22 H new ATOM 0 HG SER A 7 11.325 -6.804 3.404 1.00 0.44 H new ATOM 79 N ARG A 8 8.917 -9.532 -0.548 1.00 41.24 N ATOM 80 CA ARG A 8 7.679 -9.781 -1.296 1.00 0.02 C ATOM 81 C ARG A 8 6.935 -10.981 -0.709 1.00 20.12 C ATOM 82 O ARG A 8 6.560 -11.906 -1.429 1.00 74.22 O ATOM 83 CB ARG A 8 7.995 -9.962 -2.792 1.00 60.04 C ATOM 84 CG ARG A 8 8.500 -8.691 -3.487 1.00 22.21 C ATOM 85 CD ARG A 8 8.633 -8.941 -4.987 1.00 32.24 C ATOM 86 NE ARG A 8 9.036 -7.722 -5.694 1.00 11.13 N ATOM 87 CZ ARG A 8 9.056 -7.584 -7.020 1.00 3.12 C ATOM 88 NH1 ARG A 8 8.873 -8.632 -7.818 1.00 72.05 N ATOM 89 NH2 ARG A 8 9.255 -6.374 -7.520 1.00 74.30 N ATOM 0 H ARG A 8 9.376 -10.380 -0.217 1.00 41.24 H new ATOM 0 HA ARG A 8 7.018 -8.919 -1.204 1.00 0.02 H new ATOM 0 HB2 ARG A 8 8.746 -10.745 -2.901 1.00 60.04 H new ATOM 0 HB3 ARG A 8 7.096 -10.309 -3.302 1.00 60.04 H new ATOM 0 HG2 ARG A 8 7.809 -7.867 -3.306 1.00 22.21 H new ATOM 0 HG3 ARG A 8 9.463 -8.396 -3.071 1.00 22.21 H new ATOM 0 HD2 ARG A 8 9.368 -9.727 -5.164 1.00 32.24 H new ATOM 0 HD3 ARG A 8 7.683 -9.298 -5.385 1.00 32.24 H new ATOM 0 HE ARG A 8 9.322 -6.921 -5.131 1.00 11.13 H new ATOM 0 HH11 ARG A 8 8.715 -9.557 -7.417 1.00 72.05 H new ATOM 0 HH12 ARG A 8 8.891 -8.511 -8.831 1.00 72.05 H new ATOM 0 HH21 ARG A 8 9.388 -5.579 -6.895 1.00 74.30 H new ATOM 0 HH22 ARG A 8 9.276 -6.237 -8.531 1.00 74.30 H new ATOM 103 N ARG A 9 6.698 -10.983 0.601 1.00 0.43 N ATOM 104 CA ARG A 9 5.990 -12.056 1.307 1.00 3.42 C ATOM 105 C ARG A 9 5.164 -11.430 2.435 1.00 2.33 C ATOM 106 O ARG A 9 5.139 -10.201 2.546 1.00 42.24 O ATOM 107 CB ARG A 9 7.044 -13.086 1.772 1.00 51.35 C ATOM 108 CG ARG A 9 6.541 -14.533 1.912 1.00 75.15 C ATOM 109 CD ARG A 9 7.708 -15.507 1.673 1.00 55.43 C ATOM 110 NE ARG A 9 7.320 -16.917 1.846 1.00 52.33 N ATOM 111 CZ ARG A 9 7.911 -17.976 1.271 1.00 42.11 C ATOM 112 NH1 ARG A 9 8.946 -17.824 0.449 1.00 24.21 N ATOM 113 NH2 ARG A 9 7.490 -19.204 1.536 1.00 1.11 N ATOM 0 H ARG A 9 6.997 -10.226 1.216 1.00 0.43 H new ATOM 0 HA ARG A 9 5.281 -12.593 0.677 1.00 3.42 H new ATOM 0 HB2 ARG A 9 7.873 -13.075 1.065 1.00 51.35 H new ATOM 0 HB3 ARG A 9 7.441 -12.764 2.734 1.00 51.35 H new ATOM 0 HG2 ARG A 9 6.121 -14.689 2.906 1.00 75.15 H new ATOM 0 HG3 ARG A 9 5.742 -14.723 1.195 1.00 75.15 H new ATOM 0 HD2 ARG A 9 8.095 -15.363 0.664 1.00 55.43 H new ATOM 0 HD3 ARG A 9 8.519 -15.271 2.362 1.00 55.43 H new ATOM 0 HE ARG A 9 6.528 -17.107 2.460 1.00 52.33 H new ATOM 0 HH11 ARG A 9 9.303 -16.890 0.246 1.00 24.21 H new ATOM 0 HH12 ARG A 9 9.382 -18.641 0.022 1.00 24.21 H new ATOM 0 HH21 ARG A 9 6.713 -19.349 2.180 1.00 1.11 H new ATOM 0 HH22 ARG A 9 7.943 -20.005 1.096 1.00 1.11 H new ATOM 127 N ARG A 10 4.508 -12.244 3.272 1.00 53.01 N ATOM 128 CA ARG A 10 3.725 -11.809 4.441 1.00 14.01 C ATOM 129 C ARG A 10 2.529 -10.917 4.058 1.00 3.42 C ATOM 130 O ARG A 10 2.215 -9.966 4.782 1.00 54.35 O ATOM 131 CB ARG A 10 4.616 -11.134 5.509 1.00 14.11 C ATOM 132 CG ARG A 10 5.904 -11.878 5.891 1.00 22.24 C ATOM 133 CD ARG A 10 6.771 -11.045 6.847 1.00 32.13 C ATOM 134 NE ARG A 10 6.384 -11.177 8.260 1.00 35.11 N ATOM 135 CZ ARG A 10 5.445 -10.523 8.952 1.00 34.42 C ATOM 136 NH1 ARG A 10 4.769 -9.518 8.407 1.00 52.23 N ATOM 137 NH2 ARG A 10 5.200 -10.907 10.201 1.00 73.12 N ATOM 0 H ARG A 10 4.506 -13.257 3.152 1.00 53.01 H new ATOM 0 HA ARG A 10 3.308 -12.714 4.883 1.00 14.01 H new ATOM 0 HB2 ARG A 10 4.888 -10.142 5.150 1.00 14.11 H new ATOM 0 HB3 ARG A 10 4.021 -10.994 6.412 1.00 14.11 H new ATOM 0 HG2 ARG A 10 5.651 -12.828 6.362 1.00 22.24 H new ATOM 0 HG3 ARG A 10 6.473 -12.110 4.990 1.00 22.24 H new ATOM 0 HD2 ARG A 10 7.813 -11.346 6.735 1.00 32.13 H new ATOM 0 HD3 ARG A 10 6.709 -9.996 6.559 1.00 32.13 H new ATOM 0 HE ARG A 10 6.910 -11.871 8.791 1.00 35.11 H new ATOM 0 HH11 ARG A 10 4.963 -9.234 7.447 1.00 52.23 H new ATOM 0 HH12 ARG A 10 4.056 -9.030 8.949 1.00 52.23 H new ATOM 0 HH21 ARG A 10 5.723 -11.682 10.608 1.00 73.12 H new ATOM 0 HH22 ARG A 10 4.489 -10.426 10.752 1.00 73.12 H new ATOM 151 N ARG A 11 1.884 -11.184 2.920 1.00 24.24 N ATOM 152 CA ARG A 11 0.810 -10.370 2.337 1.00 63.25 C ATOM 153 C ARG A 11 -0.501 -11.154 2.369 1.00 53.52 C ATOM 154 O ARG A 11 -0.548 -12.266 2.892 1.00 4.10 O ATOM 155 CB ARG A 11 1.202 -9.988 0.896 1.00 40.54 C ATOM 156 CG ARG A 11 2.293 -8.911 0.839 1.00 54.52 C ATOM 157 CD ARG A 11 3.009 -8.910 -0.516 1.00 23.43 C ATOM 158 NE ARG A 11 2.155 -8.446 -1.625 1.00 31.11 N ATOM 159 CZ ARG A 11 2.617 -8.060 -2.823 1.00 34.43 C ATOM 160 NH1 ARG A 11 3.849 -8.386 -3.205 1.00 64.21 N ATOM 161 NH2 ARG A 11 1.843 -7.348 -3.628 1.00 13.33 N ATOM 0 H ARG A 11 2.103 -12.005 2.356 1.00 24.24 H new ATOM 0 HA ARG A 11 0.668 -9.456 2.913 1.00 63.25 H new ATOM 0 HB2 ARG A 11 1.550 -10.878 0.371 1.00 40.54 H new ATOM 0 HB3 ARG A 11 0.318 -9.631 0.367 1.00 40.54 H new ATOM 0 HG2 ARG A 11 1.849 -7.932 1.018 1.00 54.52 H new ATOM 0 HG3 ARG A 11 3.018 -9.083 1.635 1.00 54.52 H new ATOM 0 HD2 ARG A 11 3.890 -8.272 -0.453 1.00 23.43 H new ATOM 0 HD3 ARG A 11 3.361 -9.918 -0.734 1.00 23.43 H new ATOM 0 HE ARG A 11 1.147 -8.417 -1.471 1.00 31.11 H new ATOM 0 HH11 ARG A 11 4.447 -8.932 -2.585 1.00 64.21 H new ATOM 0 HH12 ARG A 11 4.195 -8.090 -4.118 1.00 64.21 H new ATOM 0 HH21 ARG A 11 0.899 -7.095 -3.336 1.00 13.33 H new ATOM 0 HH22 ARG A 11 2.191 -7.052 -4.540 1.00 13.33 H new ATOM 175 N THR A 12 -1.557 -10.586 1.801 1.00 21.31 N ATOM 176 CA THR A 12 -2.816 -11.261 1.519 1.00 11.23 C ATOM 177 C THR A 12 -2.970 -11.343 -0.013 1.00 1.31 C ATOM 178 O THR A 12 -2.141 -10.813 -0.768 1.00 74.45 O ATOM 179 CB THR A 12 -3.978 -10.525 2.227 1.00 42.14 C ATOM 180 OG1 THR A 12 -3.547 -9.724 3.320 1.00 73.35 O ATOM 181 CG2 THR A 12 -5.068 -11.476 2.731 1.00 23.44 C ATOM 0 H THR A 12 -1.560 -9.607 1.514 1.00 21.31 H new ATOM 0 HA THR A 12 -2.832 -12.278 1.912 1.00 11.23 H new ATOM 0 HB THR A 12 -4.393 -9.880 1.453 1.00 42.14 H new ATOM 0 HG1 THR A 12 -4.321 -9.282 3.727 1.00 73.35 H new ATOM 0 HG21 THR A 12 -5.856 -10.901 3.218 1.00 23.44 H new ATOM 0 HG22 THR A 12 -5.488 -12.026 1.889 1.00 23.44 H new ATOM 0 HG23 THR A 12 -4.637 -12.178 3.445 1.00 23.44 H new ATOM 189 N ALA A 13 -4.020 -12.013 -0.493 1.00 4.31 N ATOM 190 CA ALA A 13 -4.273 -12.234 -1.911 1.00 32.14 C ATOM 191 C ALA A 13 -4.918 -11.004 -2.564 1.00 1.54 C ATOM 192 O ALA A 13 -6.099 -11.026 -2.903 1.00 52.15 O ATOM 193 CB ALA A 13 -5.149 -13.481 -2.062 1.00 53.51 C ATOM 0 H ALA A 13 -4.732 -12.425 0.111 1.00 4.31 H new ATOM 0 HA ALA A 13 -3.328 -12.394 -2.429 1.00 32.14 H new ATOM 0 HB1 ALA A 13 -5.348 -13.660 -3.119 1.00 53.51 H new ATOM 0 HB2 ALA A 13 -4.632 -14.342 -1.639 1.00 53.51 H new ATOM 0 HB3 ALA A 13 -6.092 -13.329 -1.536 1.00 53.51 H new ATOM 199 N PHE A 14 -4.154 -9.927 -2.740 1.00 55.14 N ATOM 200 CA PHE A 14 -4.570 -8.743 -3.486 1.00 42.51 C ATOM 201 C PHE A 14 -4.108 -8.932 -4.931 1.00 33.23 C ATOM 202 O PHE A 14 -2.892 -9.021 -5.155 1.00 13.24 O ATOM 203 CB PHE A 14 -3.949 -7.468 -2.888 1.00 11.10 C ATOM 204 CG PHE A 14 -4.554 -6.912 -1.604 1.00 62.35 C ATOM 205 CD1 PHE A 14 -4.802 -7.725 -0.482 1.00 22.40 C ATOM 206 CD2 PHE A 14 -4.798 -5.533 -1.504 1.00 15.13 C ATOM 207 CE1 PHE A 14 -5.239 -7.171 0.733 1.00 21.11 C ATOM 208 CE2 PHE A 14 -5.241 -4.973 -0.292 1.00 62.22 C ATOM 209 CZ PHE A 14 -5.444 -5.789 0.829 1.00 51.53 C ATOM 0 H PHE A 14 -3.210 -9.853 -2.360 1.00 55.14 H new ATOM 0 HA PHE A 14 -5.653 -8.627 -3.436 1.00 42.51 H new ATOM 0 HB2 PHE A 14 -2.894 -7.666 -2.701 1.00 11.10 H new ATOM 0 HB3 PHE A 14 -3.997 -6.686 -3.646 1.00 11.10 H new ATOM 0 HD1 PHE A 14 -4.654 -8.792 -0.556 1.00 22.40 H new ATOM 0 HD2 PHE A 14 -4.644 -4.898 -2.364 1.00 15.13 H new ATOM 0 HE1 PHE A 14 -5.416 -7.807 1.588 1.00 21.11 H new ATOM 0 HE2 PHE A 14 -5.425 -3.911 -0.225 1.00 62.22 H new ATOM 0 HZ PHE A 14 -5.758 -5.353 1.766 1.00 51.53 H new ATOM 219 N THR A 15 -5.030 -9.056 -5.885 1.00 63.12 N ATOM 220 CA THR A 15 -4.714 -9.135 -7.308 1.00 1.50 C ATOM 221 C THR A 15 -4.104 -7.808 -7.779 1.00 24.01 C ATOM 222 O THR A 15 -4.199 -6.786 -7.094 1.00 62.21 O ATOM 223 CB THR A 15 -5.962 -9.543 -8.125 1.00 12.42 C ATOM 224 OG1 THR A 15 -7.081 -8.735 -7.877 1.00 15.43 O ATOM 225 CG2 THR A 15 -6.380 -10.977 -7.802 1.00 42.54 C ATOM 0 H THR A 15 -6.029 -9.105 -5.687 1.00 63.12 H new ATOM 0 HA THR A 15 -3.970 -9.914 -7.474 1.00 1.50 H new ATOM 0 HB THR A 15 -5.661 -9.431 -9.167 1.00 12.42 H new ATOM 0 HG1 THR A 15 -7.834 -9.043 -8.423 1.00 15.43 H new ATOM 0 HG21 THR A 15 -7.260 -11.241 -8.389 1.00 42.54 H new ATOM 0 HG22 THR A 15 -5.564 -11.657 -8.046 1.00 42.54 H new ATOM 0 HG23 THR A 15 -6.615 -11.057 -6.741 1.00 42.54 H new ATOM 233 N SER A 16 -3.488 -7.791 -8.961 1.00 75.32 N ATOM 234 CA SER A 16 -2.857 -6.597 -9.508 1.00 63.41 C ATOM 235 C SER A 16 -3.858 -5.495 -9.846 1.00 44.54 C ATOM 236 O SER A 16 -3.462 -4.348 -10.043 1.00 13.13 O ATOM 237 CB SER A 16 -2.083 -6.965 -10.762 1.00 11.52 C ATOM 238 OG SER A 16 -1.174 -8.016 -10.492 1.00 12.31 O ATOM 0 H SER A 16 -3.414 -8.609 -9.566 1.00 75.32 H new ATOM 0 HA SER A 16 -2.192 -6.207 -8.737 1.00 63.41 H new ATOM 0 HB2 SER A 16 -2.775 -7.267 -11.548 1.00 11.52 H new ATOM 0 HB3 SER A 16 -1.542 -6.094 -11.131 1.00 11.52 H new ATOM 0 HG SER A 16 -0.684 -8.243 -11.310 1.00 12.31 H new ATOM 244 N GLU A 17 -5.147 -5.819 -9.912 1.00 14.54 N ATOM 245 CA GLU A 17 -6.195 -4.821 -10.022 1.00 31.21 C ATOM 246 C GLU A 17 -6.301 -4.027 -8.726 1.00 55.44 C ATOM 247 O GLU A 17 -6.391 -2.801 -8.720 1.00 61.14 O ATOM 248 CB GLU A 17 -7.531 -5.503 -10.297 1.00 73.41 C ATOM 249 CG GLU A 17 -7.545 -6.446 -11.506 1.00 74.43 C ATOM 250 CD GLU A 17 -8.994 -6.694 -11.925 1.00 4.13 C ATOM 251 OE1 GLU A 17 -9.818 -7.047 -11.051 1.00 52.11 O ATOM 252 OE2 GLU A 17 -9.343 -6.442 -13.098 1.00 22.43 O ATOM 0 H GLU A 17 -5.489 -6.780 -9.890 1.00 14.54 H new ATOM 0 HA GLU A 17 -5.949 -4.146 -10.842 1.00 31.21 H new ATOM 0 HB2 GLU A 17 -7.821 -6.069 -9.412 1.00 73.41 H new ATOM 0 HB3 GLU A 17 -8.289 -4.734 -10.447 1.00 73.41 H new ATOM 0 HG2 GLU A 17 -6.984 -6.008 -12.332 1.00 74.43 H new ATOM 0 HG3 GLU A 17 -7.059 -7.389 -11.254 1.00 74.43 H new ATOM 259 N GLN A 18 -6.273 -4.753 -7.614 1.00 55.51 N ATOM 260 CA GLN A 18 -6.414 -4.210 -6.282 1.00 4.32 C ATOM 261 C GLN A 18 -5.148 -3.425 -5.939 1.00 42.55 C ATOM 262 O GLN A 18 -5.229 -2.344 -5.362 1.00 54.45 O ATOM 263 CB GLN A 18 -6.742 -5.352 -5.294 1.00 1.20 C ATOM 264 CG GLN A 18 -7.873 -6.256 -5.828 1.00 33.21 C ATOM 265 CD GLN A 18 -8.244 -7.402 -4.888 1.00 52.35 C ATOM 266 OE1 GLN A 18 -7.548 -8.407 -4.808 1.00 62.22 O ATOM 267 NE2 GLN A 18 -9.361 -7.342 -4.195 1.00 21.01 N ATOM 0 H GLN A 18 -6.147 -5.765 -7.623 1.00 55.51 H new ATOM 0 HA GLN A 18 -7.246 -3.509 -6.215 1.00 4.32 H new ATOM 0 HB2 GLN A 18 -5.848 -5.951 -5.119 1.00 1.20 H new ATOM 0 HB3 GLN A 18 -7.036 -4.930 -4.333 1.00 1.20 H new ATOM 0 HG2 GLN A 18 -8.758 -5.646 -6.009 1.00 33.21 H new ATOM 0 HG3 GLN A 18 -7.570 -6.671 -6.789 1.00 33.21 H new ATOM 0 HE21 GLN A 18 -9.952 -6.512 -4.251 1.00 21.01 H new ATOM 0 HE22 GLN A 18 -9.636 -8.125 -3.602 1.00 21.01 H new ATOM 276 N LEU A 19 -3.983 -3.909 -6.383 1.00 15.13 N ATOM 277 CA LEU A 19 -2.722 -3.201 -6.217 1.00 74.31 C ATOM 278 C LEU A 19 -2.665 -1.901 -7.029 1.00 23.44 C ATOM 279 O LEU A 19 -1.824 -1.055 -6.735 1.00 11.22 O ATOM 280 CB LEU A 19 -1.566 -4.112 -6.649 1.00 23.42 C ATOM 281 CG LEU A 19 -1.349 -5.357 -5.761 1.00 74.34 C ATOM 282 CD1 LEU A 19 -0.291 -6.277 -6.378 1.00 34.04 C ATOM 283 CD2 LEU A 19 -0.893 -4.996 -4.347 1.00 1.22 C ATOM 0 H LEU A 19 -3.894 -4.803 -6.867 1.00 15.13 H new ATOM 0 HA LEU A 19 -2.636 -2.936 -5.163 1.00 74.31 H new ATOM 0 HB2 LEU A 19 -1.746 -4.441 -7.672 1.00 23.42 H new ATOM 0 HB3 LEU A 19 -0.646 -3.527 -6.659 1.00 23.42 H new ATOM 0 HG LEU A 19 -2.314 -5.859 -5.701 1.00 74.34 H new ATOM 0 HD11 LEU A 19 -0.150 -7.149 -5.740 1.00 34.04 H new ATOM 0 HD12 LEU A 19 -0.621 -6.600 -7.366 1.00 34.04 H new ATOM 0 HD13 LEU A 19 0.652 -5.738 -6.468 1.00 34.04 H new ATOM 0 HD21 LEU A 19 -0.755 -5.907 -3.765 1.00 1.22 H new ATOM 0 HD22 LEU A 19 0.050 -4.451 -4.397 1.00 1.22 H new ATOM 0 HD23 LEU A 19 -1.648 -4.371 -3.870 1.00 1.22 H new ATOM 295 N LEU A 20 -3.510 -1.732 -8.049 1.00 42.11 N ATOM 296 CA LEU A 20 -3.425 -0.613 -8.978 1.00 4.23 C ATOM 297 C LEU A 20 -3.864 0.658 -8.251 1.00 61.23 C ATOM 298 O LEU A 20 -3.143 1.660 -8.218 1.00 12.53 O ATOM 299 CB LEU A 20 -4.300 -0.904 -10.222 1.00 73.14 C ATOM 300 CG LEU A 20 -3.739 -0.406 -11.566 1.00 41.31 C ATOM 301 CD1 LEU A 20 -3.394 1.085 -11.537 1.00 21.32 C ATOM 302 CD2 LEU A 20 -2.539 -1.252 -12.007 1.00 55.13 C ATOM 0 H LEU A 20 -4.276 -2.375 -8.251 1.00 42.11 H new ATOM 0 HA LEU A 20 -2.402 -0.473 -9.326 1.00 4.23 H new ATOM 0 HB2 LEU A 20 -4.454 -1.981 -10.291 1.00 73.14 H new ATOM 0 HB3 LEU A 20 -5.279 -0.451 -10.068 1.00 73.14 H new ATOM 0 HG LEU A 20 -4.529 -0.527 -12.308 1.00 41.31 H new ATOM 0 HD11 LEU A 20 -3.002 1.387 -12.508 1.00 21.32 H new ATOM 0 HD12 LEU A 20 -4.291 1.662 -11.312 1.00 21.32 H new ATOM 0 HD13 LEU A 20 -2.642 1.270 -10.769 1.00 21.32 H new ATOM 0 HD21 LEU A 20 -2.161 -0.879 -12.959 1.00 55.13 H new ATOM 0 HD22 LEU A 20 -1.753 -1.188 -11.255 1.00 55.13 H new ATOM 0 HD23 LEU A 20 -2.848 -2.291 -12.121 1.00 55.13 H new ATOM 314 N GLU A 21 -5.051 0.584 -7.650 1.00 44.14 N ATOM 315 CA GLU A 21 -5.721 1.688 -6.978 1.00 42.35 C ATOM 316 C GLU A 21 -5.075 1.974 -5.621 1.00 71.34 C ATOM 317 O GLU A 21 -5.061 3.108 -5.156 1.00 22.14 O ATOM 318 CB GLU A 21 -7.212 1.360 -6.820 1.00 15.20 C ATOM 319 CG GLU A 21 -7.892 0.940 -8.134 1.00 13.33 C ATOM 320 CD GLU A 21 -7.827 2.045 -9.194 1.00 13.42 C ATOM 321 OE1 GLU A 21 -8.345 3.161 -8.963 1.00 22.32 O ATOM 322 OE2 GLU A 21 -7.227 1.816 -10.267 1.00 32.33 O ATOM 0 H GLU A 21 -5.590 -0.281 -7.619 1.00 44.14 H new ATOM 0 HA GLU A 21 -5.619 2.588 -7.584 1.00 42.35 H new ATOM 0 HB2 GLU A 21 -7.324 0.558 -6.090 1.00 15.20 H new ATOM 0 HB3 GLU A 21 -7.727 2.232 -6.417 1.00 15.20 H new ATOM 0 HG2 GLU A 21 -7.412 0.040 -8.519 1.00 13.33 H new ATOM 0 HG3 GLU A 21 -8.934 0.687 -7.938 1.00 13.33 H new ATOM 329 N LEU A 22 -4.464 0.968 -5.003 1.00 74.41 N ATOM 330 CA LEU A 22 -3.648 1.160 -3.814 1.00 1.54 C ATOM 331 C LEU A 22 -2.443 2.053 -4.113 1.00 64.00 C ATOM 332 O LEU A 22 -2.053 2.866 -3.275 1.00 53.51 O ATOM 333 CB LEU A 22 -3.193 -0.217 -3.317 1.00 2.10 C ATOM 334 CG LEU A 22 -4.023 -0.841 -2.179 1.00 60.35 C ATOM 335 CD1 LEU A 22 -5.532 -0.673 -2.338 1.00 24.14 C ATOM 336 CD2 LEU A 22 -3.711 -2.338 -2.155 1.00 1.33 C ATOM 0 H LEU A 22 -4.522 -0.002 -5.314 1.00 74.41 H new ATOM 0 HA LEU A 22 -4.234 1.660 -3.043 1.00 1.54 H new ATOM 0 HB2 LEU A 22 -3.200 -0.905 -4.162 1.00 2.10 H new ATOM 0 HB3 LEU A 22 -2.159 -0.135 -2.981 1.00 2.10 H new ATOM 0 HG LEU A 22 -3.750 -0.325 -1.259 1.00 60.35 H new ATOM 0 HD11 LEU A 22 -6.041 -1.140 -1.495 1.00 24.14 H new ATOM 0 HD12 LEU A 22 -5.779 0.388 -2.368 1.00 24.14 H new ATOM 0 HD13 LEU A 22 -5.855 -1.147 -3.265 1.00 24.14 H new ATOM 0 HD21 LEU A 22 -4.282 -2.816 -1.359 1.00 1.33 H new ATOM 0 HD22 LEU A 22 -3.982 -2.782 -3.113 1.00 1.33 H new ATOM 0 HD23 LEU A 22 -2.646 -2.485 -1.976 1.00 1.33 H new ATOM 348 N ARG A 23 -1.828 1.922 -5.294 1.00 34.24 N ATOM 349 CA ARG A 23 -0.573 2.591 -5.589 1.00 1.52 C ATOM 350 C ARG A 23 -0.826 4.034 -5.982 1.00 12.54 C ATOM 351 O ARG A 23 0.062 4.865 -5.752 1.00 73.32 O ATOM 352 CB ARG A 23 0.157 1.848 -6.715 1.00 71.22 C ATOM 353 CG ARG A 23 0.915 0.616 -6.200 1.00 54.30 C ATOM 354 CD ARG A 23 1.352 -0.303 -7.341 1.00 23.45 C ATOM 355 NE ARG A 23 2.143 0.406 -8.361 1.00 55.51 N ATOM 356 CZ ARG A 23 3.075 -0.119 -9.157 1.00 62.24 C ATOM 357 NH1 ARG A 23 3.455 -1.386 -9.038 1.00 2.14 N ATOM 358 NH2 ARG A 23 3.640 0.650 -10.077 1.00 24.03 N ATOM 0 H ARG A 23 -2.189 1.353 -6.060 1.00 34.24 H new ATOM 0 HA ARG A 23 0.053 2.584 -4.697 1.00 1.52 H new ATOM 0 HB2 ARG A 23 -0.564 1.539 -7.471 1.00 71.22 H new ATOM 0 HB3 ARG A 23 0.858 2.527 -7.201 1.00 71.22 H new ATOM 0 HG2 ARG A 23 1.791 0.938 -5.637 1.00 54.30 H new ATOM 0 HG3 ARG A 23 0.279 0.061 -5.510 1.00 54.30 H new ATOM 0 HD2 ARG A 23 1.941 -1.126 -6.936 1.00 23.45 H new ATOM 0 HD3 ARG A 23 0.470 -0.742 -7.809 1.00 23.45 H new ATOM 0 HE ARG A 23 1.959 1.403 -8.470 1.00 55.51 H new ATOM 0 HH11 ARG A 23 3.032 -1.981 -8.326 1.00 2.14 H new ATOM 0 HH12 ARG A 23 4.170 -1.764 -9.659 1.00 2.14 H new ATOM 0 HH21 ARG A 23 3.360 1.627 -10.167 1.00 24.03 H new ATOM 0 HH22 ARG A 23 4.355 0.265 -10.695 1.00 24.03 H new ATOM 372 N LYS A 24 -1.991 4.340 -6.570 1.00 31.13 N ATOM 373 CA LYS A 24 -2.281 5.713 -6.961 1.00 22.21 C ATOM 374 C LYS A 24 -2.494 6.554 -5.698 1.00 74.31 C ATOM 375 O LYS A 24 -1.916 7.631 -5.547 1.00 24.22 O ATOM 376 CB LYS A 24 -3.430 5.806 -7.995 1.00 74.02 C ATOM 377 CG LYS A 24 -4.829 5.626 -7.387 1.00 51.34 C ATOM 378 CD LYS A 24 -5.942 5.177 -8.334 1.00 33.04 C ATOM 379 CE LYS A 24 -6.456 6.281 -9.253 1.00 53.32 C ATOM 380 NZ LYS A 24 -7.663 5.832 -9.978 1.00 22.21 N ATOM 0 H LYS A 24 -2.729 3.667 -6.779 1.00 31.13 H new ATOM 0 HA LYS A 24 -1.427 6.131 -7.493 1.00 22.21 H new ATOM 0 HB2 LYS A 24 -3.382 6.775 -8.491 1.00 74.02 H new ATOM 0 HB3 LYS A 24 -3.278 5.047 -8.763 1.00 74.02 H new ATOM 0 HG2 LYS A 24 -4.757 4.898 -6.579 1.00 51.34 H new ATOM 0 HG3 LYS A 24 -5.128 6.573 -6.937 1.00 51.34 H new ATOM 0 HD2 LYS A 24 -5.575 4.352 -8.944 1.00 33.04 H new ATOM 0 HD3 LYS A 24 -6.774 4.792 -7.744 1.00 33.04 H new ATOM 0 HE2 LYS A 24 -6.686 7.171 -8.668 1.00 53.32 H new ATOM 0 HE3 LYS A 24 -5.680 6.560 -9.965 1.00 53.32 H new ATOM 0 HZ1 LYS A 24 -7.463 5.800 -10.998 1.00 22.21 H new ATOM 0 HZ2 LYS A 24 -7.933 4.883 -9.648 1.00 22.21 H new ATOM 0 HZ3 LYS A 24 -8.443 6.496 -9.799 1.00 22.21 H new ATOM 394 N GLU A 25 -3.293 6.032 -4.766 1.00 15.23 N ATOM 395 CA GLU A 25 -3.678 6.714 -3.542 1.00 20.13 C ATOM 396 C GLU A 25 -2.511 6.813 -2.569 1.00 21.05 C ATOM 397 O GLU A 25 -2.392 7.815 -1.865 1.00 13.11 O ATOM 398 CB GLU A 25 -4.833 5.952 -2.889 1.00 21.24 C ATOM 399 CG GLU A 25 -6.148 6.033 -3.668 1.00 32.25 C ATOM 400 CD GLU A 25 -6.558 7.463 -4.010 1.00 73.03 C ATOM 401 OE1 GLU A 25 -6.456 8.363 -3.145 1.00 4.41 O ATOM 402 OE2 GLU A 25 -7.008 7.691 -5.153 1.00 2.44 O ATOM 0 H GLU A 25 -3.697 5.099 -4.849 1.00 15.23 H new ATOM 0 HA GLU A 25 -3.989 7.728 -3.793 1.00 20.13 H new ATOM 0 HB2 GLU A 25 -4.550 4.905 -2.781 1.00 21.24 H new ATOM 0 HB3 GLU A 25 -4.992 6.344 -1.885 1.00 21.24 H new ATOM 0 HG2 GLU A 25 -6.053 5.459 -4.590 1.00 32.25 H new ATOM 0 HG3 GLU A 25 -6.939 5.565 -3.082 1.00 32.25 H new ATOM 409 N PHE A 26 -1.613 5.820 -2.556 1.00 40.32 N ATOM 410 CA PHE A 26 -0.443 5.818 -1.686 1.00 42.54 C ATOM 411 C PHE A 26 0.327 7.138 -1.778 1.00 54.23 C ATOM 412 O PHE A 26 0.782 7.679 -0.768 1.00 15.14 O ATOM 413 CB PHE A 26 0.483 4.662 -2.080 1.00 52.14 C ATOM 414 CG PHE A 26 1.770 4.665 -1.289 1.00 0.51 C ATOM 415 CD1 PHE A 26 1.791 4.070 -0.020 1.00 11.11 C ATOM 416 CD2 PHE A 26 2.906 5.351 -1.765 1.00 4.15 C ATOM 417 CE1 PHE A 26 2.934 4.176 0.780 1.00 2.23 C ATOM 418 CE2 PHE A 26 4.054 5.456 -0.959 1.00 55.13 C ATOM 419 CZ PHE A 26 4.070 4.866 0.315 1.00 55.20 C ATOM 0 H PHE A 26 -1.683 4.995 -3.152 1.00 40.32 H new ATOM 0 HA PHE A 26 -0.786 5.695 -0.659 1.00 42.54 H new ATOM 0 HB2 PHE A 26 -0.035 3.715 -1.925 1.00 52.14 H new ATOM 0 HB3 PHE A 26 0.712 4.729 -3.144 1.00 52.14 H new ATOM 0 HD1 PHE A 26 0.927 3.531 0.339 1.00 11.11 H new ATOM 0 HD2 PHE A 26 2.895 5.796 -2.749 1.00 4.15 H new ATOM 0 HE1 PHE A 26 2.945 3.725 1.761 1.00 2.23 H new ATOM 0 HE2 PHE A 26 4.921 5.989 -1.319 1.00 55.13 H new ATOM 0 HZ PHE A 26 4.950 4.941 0.936 1.00 55.20 H new ATOM 429 N HIS A 27 0.495 7.606 -3.015 1.00 35.34 N ATOM 430 CA HIS A 27 1.237 8.793 -3.390 1.00 10.53 C ATOM 431 C HIS A 27 0.412 10.062 -3.094 1.00 63.00 C ATOM 432 O HIS A 27 0.981 11.142 -2.906 1.00 50.10 O ATOM 433 CB HIS A 27 1.552 8.624 -4.890 1.00 51.42 C ATOM 434 CG HIS A 27 2.777 9.323 -5.426 1.00 21.41 C ATOM 435 ND1 HIS A 27 2.880 9.877 -6.681 1.00 30.13 N ATOM 436 CD2 HIS A 27 4.033 9.315 -4.880 1.00 10.41 C ATOM 437 CE1 HIS A 27 4.157 10.241 -6.876 1.00 5.31 C ATOM 438 NE2 HIS A 27 4.903 9.910 -5.806 1.00 12.44 N ATOM 0 H HIS A 27 0.090 7.134 -3.823 1.00 35.34 H new ATOM 0 HA HIS A 27 2.158 8.909 -2.819 1.00 10.53 H new ATOM 0 HB2 HIS A 27 1.656 7.558 -5.094 1.00 51.42 H new ATOM 0 HB3 HIS A 27 0.689 8.974 -5.457 1.00 51.42 H new ATOM 0 HD2 HIS A 27 4.305 8.922 -3.912 1.00 10.41 H new ATOM 0 HE1 HIS A 27 4.532 10.729 -7.764 1.00 5.31 H new ATOM 0 HE2 HIS A 27 5.905 10.062 -5.691 1.00 12.44 H new ATOM 446 N CYS A 28 -0.920 9.942 -3.035 1.00 72.10 N ATOM 447 CA CYS A 28 -1.853 11.032 -2.800 1.00 30.05 C ATOM 448 C CYS A 28 -1.911 11.399 -1.314 1.00 4.13 C ATOM 449 O CYS A 28 -1.794 12.582 -0.987 1.00 41.52 O ATOM 450 CB CYS A 28 -3.244 10.648 -3.326 1.00 1.22 C ATOM 451 SG CYS A 28 -4.192 12.164 -3.623 1.00 33.24 S ATOM 0 H CYS A 28 -1.388 9.044 -3.155 1.00 72.10 H new ATOM 0 HA CYS A 28 -1.504 11.912 -3.340 1.00 30.05 H new ATOM 0 HB2 CYS A 28 -3.154 10.072 -4.247 1.00 1.22 H new ATOM 0 HB3 CYS A 28 -3.760 10.015 -2.604 1.00 1.22 H new ATOM 0 HG CYS A 28 -5.373 11.857 -4.071 1.00 33.24 H new ATOM 457 N LYS A 29 -2.069 10.423 -0.410 1.00 73.22 N ATOM 458 CA LYS A 29 -2.039 10.655 1.034 1.00 45.32 C ATOM 459 C LYS A 29 -1.140 9.627 1.694 1.00 42.13 C ATOM 460 O LYS A 29 -1.440 8.435 1.702 1.00 75.34 O ATOM 461 CB LYS A 29 -3.441 10.593 1.663 1.00 61.43 C ATOM 462 CG LYS A 29 -4.298 11.843 1.426 1.00 51.13 C ATOM 463 CD LYS A 29 -5.631 11.753 2.191 1.00 74.03 C ATOM 464 CE LYS A 29 -5.460 12.002 3.699 1.00 13.24 C ATOM 465 NZ LYS A 29 -6.320 13.078 4.239 1.00 23.05 N ATOM 0 H LYS A 29 -2.222 9.447 -0.664 1.00 73.22 H new ATOM 0 HA LYS A 29 -1.650 11.660 1.198 1.00 45.32 H new ATOM 0 HB2 LYS A 29 -3.967 9.726 1.264 1.00 61.43 H new ATOM 0 HB3 LYS A 29 -3.338 10.437 2.737 1.00 61.43 H new ATOM 0 HG2 LYS A 29 -3.750 12.729 1.746 1.00 51.13 H new ATOM 0 HG3 LYS A 29 -4.494 11.957 0.360 1.00 51.13 H new ATOM 0 HD2 LYS A 29 -6.331 12.482 1.782 1.00 74.03 H new ATOM 0 HD3 LYS A 29 -6.070 10.767 2.036 1.00 74.03 H new ATOM 0 HE2 LYS A 29 -5.675 11.077 4.235 1.00 13.24 H new ATOM 0 HE3 LYS A 29 -4.418 12.251 3.899 1.00 13.24 H new ATOM 0 HZ1 LYS A 29 -5.727 13.877 4.541 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -6.981 13.397 3.502 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -6.857 12.718 5.054 1.00 23.05 H new ATOM 479 N LYS A 30 -0.104 10.114 2.381 1.00 72.13 N ATOM 480 CA LYS A 30 0.729 9.329 3.294 1.00 23.13 C ATOM 481 C LYS A 30 -0.074 8.521 4.327 1.00 61.41 C ATOM 482 O LYS A 30 0.422 7.500 4.803 1.00 13.53 O ATOM 483 CB LYS A 30 1.778 10.232 3.978 1.00 34.32 C ATOM 484 CG LYS A 30 1.213 11.453 4.739 1.00 75.20 C ATOM 485 CD LYS A 30 1.233 12.755 3.918 1.00 32.05 C ATOM 486 CE LYS A 30 0.686 13.932 4.735 1.00 53.23 C ATOM 487 NZ LYS A 30 0.550 15.169 3.937 1.00 62.40 N ATOM 0 H LYS A 30 0.186 11.090 2.316 1.00 72.13 H new ATOM 0 HA LYS A 30 1.242 8.587 2.682 1.00 23.13 H new ATOM 0 HB2 LYS A 30 2.353 9.625 4.677 1.00 34.32 H new ATOM 0 HB3 LYS A 30 2.474 10.590 3.219 1.00 34.32 H new ATOM 0 HG2 LYS A 30 0.188 11.240 5.041 1.00 75.20 H new ATOM 0 HG3 LYS A 30 1.790 11.600 5.652 1.00 75.20 H new ATOM 0 HD2 LYS A 30 2.253 12.972 3.600 1.00 32.05 H new ATOM 0 HD3 LYS A 30 0.637 12.628 3.014 1.00 32.05 H new ATOM 0 HE2 LYS A 30 -0.286 13.662 5.147 1.00 53.23 H new ATOM 0 HE3 LYS A 30 1.348 14.121 5.580 1.00 53.23 H new ATOM 0 HZ1 LYS A 30 0.177 15.931 4.538 1.00 62.40 H new ATOM 0 HZ2 LYS A 30 1.481 15.446 3.565 1.00 62.40 H new ATOM 0 HZ3 LYS A 30 -0.103 15.001 3.145 1.00 62.40 H new ATOM 501 N TYR A 31 -1.289 8.948 4.685 1.00 22.41 N ATOM 502 CA TYR A 31 -2.197 8.229 5.568 1.00 75.11 C ATOM 503 C TYR A 31 -3.613 8.495 5.079 1.00 74.23 C ATOM 504 O TYR A 31 -4.060 9.642 5.123 1.00 60.23 O ATOM 505 CB TYR A 31 -2.046 8.713 7.017 1.00 22.04 C ATOM 506 CG TYR A 31 -0.765 8.268 7.692 1.00 35.21 C ATOM 507 CD1 TYR A 31 -0.718 7.021 8.341 1.00 43.32 C ATOM 508 CD2 TYR A 31 0.380 9.086 7.664 1.00 11.14 C ATOM 509 CE1 TYR A 31 0.464 6.599 8.969 1.00 44.12 C ATOM 510 CE2 TYR A 31 1.575 8.653 8.264 1.00 21.31 C ATOM 511 CZ TYR A 31 1.626 7.403 8.920 1.00 61.13 C ATOM 512 OH TYR A 31 2.781 7.007 9.523 1.00 60.42 O ATOM 0 H TYR A 31 -1.675 9.833 4.355 1.00 22.41 H new ATOM 0 HA TYR A 31 -1.971 7.163 5.550 1.00 75.11 H new ATOM 0 HB2 TYR A 31 -2.091 9.802 7.031 1.00 22.04 H new ATOM 0 HB3 TYR A 31 -2.894 8.352 7.599 1.00 22.04 H new ATOM 0 HD1 TYR A 31 -1.593 6.388 8.356 1.00 43.32 H new ATOM 0 HD2 TYR A 31 0.340 10.050 7.179 1.00 11.14 H new ATOM 0 HE1 TYR A 31 0.486 5.655 9.493 1.00 44.12 H new ATOM 0 HE2 TYR A 31 2.456 9.277 8.223 1.00 21.31 H new ATOM 0 HH TYR A 31 3.473 7.687 9.383 1.00 60.42 H new ATOM 522 N LEU A 32 -4.323 7.473 4.601 1.00 4.31 N ATOM 523 CA LEU A 32 -5.724 7.623 4.216 1.00 2.13 C ATOM 524 C LEU A 32 -6.563 7.742 5.489 1.00 72.04 C ATOM 525 O LEU A 32 -6.439 6.927 6.410 1.00 55.34 O ATOM 526 CB LEU A 32 -6.205 6.455 3.332 1.00 3.53 C ATOM 527 CG LEU A 32 -5.942 6.695 1.829 1.00 44.50 C ATOM 528 CD1 LEU A 32 -4.449 6.647 1.531 1.00 74.20 C ATOM 529 CD2 LEU A 32 -6.643 5.655 0.953 1.00 23.15 C ATOM 0 H LEU A 32 -3.950 6.533 4.472 1.00 4.31 H new ATOM 0 HA LEU A 32 -5.838 8.524 3.614 1.00 2.13 H new ATOM 0 HB2 LEU A 32 -5.702 5.539 3.643 1.00 3.53 H new ATOM 0 HB3 LEU A 32 -7.273 6.302 3.490 1.00 3.53 H new ATOM 0 HG LEU A 32 -6.342 7.682 1.596 1.00 44.50 H new ATOM 0 HD11 LEU A 32 -4.285 6.818 0.467 1.00 74.20 H new ATOM 0 HD12 LEU A 32 -3.938 7.419 2.106 1.00 74.20 H new ATOM 0 HD13 LEU A 32 -4.054 5.669 1.806 1.00 74.20 H new ATOM 0 HD21 LEU A 32 -6.432 5.861 -0.096 1.00 23.15 H new ATOM 0 HD22 LEU A 32 -6.279 4.660 1.208 1.00 23.15 H new ATOM 0 HD23 LEU A 32 -7.719 5.702 1.122 1.00 23.15 H new ATOM 541 N SER A 33 -7.407 8.766 5.539 1.00 40.13 N ATOM 542 CA SER A 33 -8.460 8.954 6.526 1.00 60.31 C ATOM 543 C SER A 33 -9.536 7.863 6.367 1.00 0.35 C ATOM 544 O SER A 33 -9.475 7.053 5.438 1.00 43.40 O ATOM 545 CB SER A 33 -9.033 10.370 6.367 1.00 34.22 C ATOM 546 OG SER A 33 -7.986 11.298 6.118 1.00 23.25 O ATOM 0 H SER A 33 -7.373 9.524 4.858 1.00 40.13 H new ATOM 0 HA SER A 33 -8.063 8.857 7.536 1.00 60.31 H new ATOM 0 HB2 SER A 33 -9.750 10.390 5.546 1.00 34.22 H new ATOM 0 HB3 SER A 33 -9.574 10.655 7.269 1.00 34.22 H new ATOM 0 HG SER A 33 -8.338 12.211 6.175 1.00 23.25 H new ATOM 552 N LEU A 34 -10.519 7.851 7.272 1.00 73.23 N ATOM 553 CA LEU A 34 -11.552 6.822 7.403 1.00 32.13 C ATOM 554 C LEU A 34 -12.263 6.622 6.073 1.00 75.01 C ATOM 555 O LEU A 34 -12.279 5.513 5.535 1.00 53.41 O ATOM 556 CB LEU A 34 -12.571 7.240 8.488 1.00 33.23 C ATOM 557 CG LEU A 34 -12.282 6.801 9.936 1.00 15.20 C ATOM 558 CD1 LEU A 34 -12.708 5.355 10.183 1.00 75.24 C ATOM 559 CD2 LEU A 34 -10.816 6.966 10.337 1.00 23.00 C ATOM 0 H LEU A 34 -10.620 8.593 7.965 1.00 73.23 H new ATOM 0 HA LEU A 34 -11.082 5.883 7.695 1.00 32.13 H new ATOM 0 HB2 LEU A 34 -12.651 8.327 8.475 1.00 33.23 H new ATOM 0 HB3 LEU A 34 -13.547 6.845 8.204 1.00 33.23 H new ATOM 0 HG LEU A 34 -12.876 7.469 10.559 1.00 15.20 H new ATOM 0 HD11 LEU A 34 -12.488 5.082 11.215 1.00 75.24 H new ATOM 0 HD12 LEU A 34 -13.778 5.255 10.001 1.00 75.24 H new ATOM 0 HD13 LEU A 34 -12.162 4.695 9.509 1.00 75.24 H new ATOM 0 HD21 LEU A 34 -10.682 6.639 11.368 1.00 23.00 H new ATOM 0 HD22 LEU A 34 -10.189 6.363 9.680 1.00 23.00 H new ATOM 0 HD23 LEU A 34 -10.531 8.014 10.249 1.00 23.00 H new ATOM 571 N THR A 35 -12.840 7.702 5.554 1.00 53.51 N ATOM 572 CA THR A 35 -13.608 7.675 4.325 1.00 3.54 C ATOM 573 C THR A 35 -12.684 7.396 3.144 1.00 51.45 C ATOM 574 O THR A 35 -13.062 6.607 2.284 1.00 21.23 O ATOM 575 CB THR A 35 -14.360 9.002 4.170 1.00 31.43 C ATOM 576 OG1 THR A 35 -15.188 9.216 5.300 1.00 62.04 O ATOM 577 CG2 THR A 35 -15.259 9.001 2.932 1.00 53.44 C ATOM 0 H THR A 35 -12.784 8.626 5.983 1.00 53.51 H new ATOM 0 HA THR A 35 -14.346 6.873 4.356 1.00 3.54 H new ATOM 0 HB THR A 35 -13.611 9.788 4.072 1.00 31.43 H new ATOM 0 HG1 THR A 35 -15.666 10.066 5.199 1.00 62.04 H new ATOM 0 HG21 THR A 35 -15.775 9.958 2.856 1.00 53.44 H new ATOM 0 HG22 THR A 35 -14.651 8.845 2.041 1.00 53.44 H new ATOM 0 HG23 THR A 35 -15.992 8.199 3.016 1.00 53.44 H new ATOM 585 N GLU A 36 -11.482 7.990 3.125 1.00 24.41 N ATOM 586 CA GLU A 36 -10.552 7.896 2.007 1.00 2.31 C ATOM 587 C GLU A 36 -10.336 6.414 1.704 1.00 41.43 C ATOM 588 O GLU A 36 -10.705 5.963 0.624 1.00 32.43 O ATOM 589 CB GLU A 36 -9.212 8.634 2.253 1.00 4.42 C ATOM 590 CG GLU A 36 -9.275 10.038 2.896 1.00 3.43 C ATOM 591 CD GLU A 36 -9.120 11.282 2.016 1.00 2.12 C ATOM 592 OE1 GLU A 36 -9.058 11.214 0.771 1.00 10.34 O ATOM 593 OE2 GLU A 36 -9.052 12.382 2.614 1.00 64.10 O ATOM 0 H GLU A 36 -11.131 8.554 3.899 1.00 24.41 H new ATOM 0 HA GLU A 36 -10.987 8.404 1.146 1.00 2.31 H new ATOM 0 HB2 GLU A 36 -8.592 8.001 2.888 1.00 4.42 H new ATOM 0 HB3 GLU A 36 -8.699 8.726 1.296 1.00 4.42 H new ATOM 0 HG2 GLU A 36 -10.233 10.119 3.409 1.00 3.43 H new ATOM 0 HG3 GLU A 36 -8.500 10.081 3.661 1.00 3.43 H new ATOM 600 N ARG A 37 -9.821 5.624 2.661 1.00 2.42 N ATOM 601 CA ARG A 37 -9.570 4.210 2.389 1.00 33.02 C ATOM 602 C ARG A 37 -10.830 3.416 2.119 1.00 72.25 C ATOM 603 O ARG A 37 -10.789 2.466 1.341 1.00 15.33 O ATOM 604 CB ARG A 37 -8.667 3.540 3.419 1.00 64.03 C ATOM 605 CG ARG A 37 -8.863 3.636 4.930 1.00 15.42 C ATOM 606 CD ARG A 37 -10.152 3.007 5.460 1.00 20.02 C ATOM 607 NE ARG A 37 -10.294 3.046 6.927 1.00 31.41 N ATOM 608 CZ ARG A 37 -11.456 2.772 7.539 1.00 64.01 C ATOM 609 NH1 ARG A 37 -12.603 2.929 6.891 1.00 51.35 N ATOM 610 NH2 ARG A 37 -11.473 2.329 8.789 1.00 51.11 N ATOM 0 H ARG A 37 -9.578 5.934 3.602 1.00 2.42 H new ATOM 0 HA ARG A 37 -9.007 4.205 1.456 1.00 33.02 H new ATOM 0 HB2 ARG A 37 -8.673 2.476 3.180 1.00 64.03 H new ATOM 0 HB3 ARG A 37 -7.659 3.905 3.221 1.00 64.03 H new ATOM 0 HG2 ARG A 37 -8.016 3.158 5.421 1.00 15.42 H new ATOM 0 HG3 ARG A 37 -8.846 4.688 5.217 1.00 15.42 H new ATOM 0 HD2 ARG A 37 -11.003 3.520 5.012 1.00 20.02 H new ATOM 0 HD3 ARG A 37 -10.197 1.969 5.131 1.00 20.02 H new ATOM 0 HE ARG A 37 -9.482 3.289 7.495 1.00 31.41 H new ATOM 0 HH11 ARG A 37 -12.602 3.259 5.926 1.00 51.35 H new ATOM 0 HH12 ARG A 37 -13.485 2.720 7.358 1.00 51.35 H new ATOM 0 HH21 ARG A 37 -10.597 2.194 9.294 1.00 51.11 H new ATOM 0 HH22 ARG A 37 -12.362 2.124 9.245 1.00 51.11 H new ATOM 624 N SER A 38 -11.913 3.762 2.795 1.00 34.00 N ATOM 625 CA SER A 38 -13.183 3.039 2.763 1.00 31.22 C ATOM 626 C SER A 38 -13.639 2.794 1.325 1.00 15.32 C ATOM 627 O SER A 38 -14.094 1.687 1.014 1.00 2.12 O ATOM 628 CB SER A 38 -14.251 3.803 3.556 1.00 62.03 C ATOM 629 OG SER A 38 -15.422 3.037 3.731 1.00 72.11 O ATOM 0 H SER A 38 -11.938 4.581 3.403 1.00 34.00 H new ATOM 0 HA SER A 38 -13.036 2.066 3.233 1.00 31.22 H new ATOM 0 HB2 SER A 38 -13.850 4.082 4.531 1.00 62.03 H new ATOM 0 HB3 SER A 38 -14.497 4.729 3.036 1.00 62.03 H new ATOM 0 HG SER A 38 -16.079 3.555 4.241 1.00 72.11 H new ATOM 635 N GLN A 39 -13.474 3.797 0.459 1.00 21.03 N ATOM 636 CA GLN A 39 -13.895 3.750 -0.927 1.00 24.41 C ATOM 637 C GLN A 39 -13.083 2.654 -1.603 1.00 20.03 C ATOM 638 O GLN A 39 -13.652 1.696 -2.097 1.00 3.53 O ATOM 639 CB GLN A 39 -13.663 5.121 -1.576 1.00 33.20 C ATOM 640 CG GLN A 39 -14.404 6.265 -0.861 1.00 20.12 C ATOM 641 CD GLN A 39 -13.776 7.630 -1.110 1.00 63.21 C ATOM 642 OE1 GLN A 39 -14.466 8.587 -1.451 1.00 53.11 O ATOM 643 NE2 GLN A 39 -12.494 7.791 -0.840 1.00 2.40 N ATOM 0 H GLN A 39 -13.033 4.680 0.716 1.00 21.03 H new ATOM 0 HA GLN A 39 -14.957 3.526 -1.024 1.00 24.41 H new ATOM 0 HB2 GLN A 39 -12.595 5.337 -1.582 1.00 33.20 H new ATOM 0 HB3 GLN A 39 -13.986 5.082 -2.616 1.00 33.20 H new ATOM 0 HG2 GLN A 39 -15.442 6.283 -1.195 1.00 20.12 H new ATOM 0 HG3 GLN A 39 -14.417 6.068 0.211 1.00 20.12 H new ATOM 0 HE21 GLN A 39 -11.928 6.991 -0.557 1.00 2.40 H new ATOM 0 HE22 GLN A 39 -12.069 8.715 -0.914 1.00 2.40 H new ATOM 652 N ILE A 40 -11.756 2.721 -1.515 1.00 73.31 N ATOM 653 CA ILE A 40 -10.796 1.788 -2.102 1.00 40.53 C ATOM 654 C ILE A 40 -10.884 0.381 -1.479 1.00 3.10 C ATOM 655 O ILE A 40 -10.315 -0.556 -2.019 1.00 24.44 O ATOM 656 CB ILE A 40 -9.402 2.468 -2.022 1.00 41.43 C ATOM 657 CG1 ILE A 40 -9.412 3.747 -2.902 1.00 31.43 C ATOM 658 CG2 ILE A 40 -8.196 1.620 -2.447 1.00 13.13 C ATOM 659 CD1 ILE A 40 -9.497 5.009 -2.059 1.00 4.10 C ATOM 0 H ILE A 40 -11.295 3.472 -1.002 1.00 73.31 H new ATOM 0 HA ILE A 40 -11.021 1.588 -3.150 1.00 40.53 H new ATOM 0 HB ILE A 40 -9.262 2.666 -0.959 1.00 41.43 H new ATOM 0 HG12 ILE A 40 -8.509 3.777 -3.511 1.00 31.43 H new ATOM 0 HG13 ILE A 40 -10.258 3.710 -3.588 1.00 31.43 H new ATOM 0 HG21 ILE A 40 -7.284 2.208 -2.345 1.00 13.13 H new ATOM 0 HG22 ILE A 40 -8.131 0.736 -1.812 1.00 13.13 H new ATOM 0 HG23 ILE A 40 -8.316 1.312 -3.486 1.00 13.13 H new ATOM 0 HD11 ILE A 40 -9.502 5.882 -2.711 1.00 4.10 H new ATOM 0 HD12 ILE A 40 -10.414 4.992 -1.469 1.00 4.10 H new ATOM 0 HD13 ILE A 40 -8.637 5.059 -1.391 1.00 4.10 H new ATOM 671 N ALA A 41 -11.624 0.172 -0.387 1.00 33.32 N ATOM 672 CA ALA A 41 -11.983 -1.179 0.053 1.00 3.32 C ATOM 673 C ALA A 41 -13.146 -1.668 -0.793 1.00 23.00 C ATOM 674 O ALA A 41 -13.041 -2.686 -1.472 1.00 40.53 O ATOM 675 CB ALA A 41 -12.326 -1.215 1.551 1.00 53.31 C ATOM 0 H ALA A 41 -11.985 0.918 0.207 1.00 33.32 H new ATOM 0 HA ALA A 41 -11.128 -1.842 -0.082 1.00 3.32 H new ATOM 0 HB1 ALA A 41 -12.587 -2.233 1.840 1.00 53.31 H new ATOM 0 HB2 ALA A 41 -11.464 -0.883 2.130 1.00 53.31 H new ATOM 0 HB3 ALA A 41 -13.171 -0.554 1.747 1.00 53.31 H new ATOM 681 N HIS A 42 -14.252 -0.929 -0.739 1.00 71.43 N ATOM 682 CA HIS A 42 -15.485 -1.248 -1.436 1.00 44.25 C ATOM 683 C HIS A 42 -15.253 -1.371 -2.951 1.00 3.23 C ATOM 684 O HIS A 42 -15.734 -2.326 -3.564 1.00 55.13 O ATOM 685 CB HIS A 42 -16.514 -0.188 -1.039 1.00 40.33 C ATOM 686 CG HIS A 42 -17.711 -0.172 -1.933 1.00 0.42 C ATOM 687 ND1 HIS A 42 -18.737 -1.087 -1.974 1.00 1.14 N ATOM 688 CD2 HIS A 42 -17.905 0.741 -2.922 1.00 55.41 C ATOM 689 CE1 HIS A 42 -19.548 -0.720 -2.979 1.00 44.15 C ATOM 690 NE2 HIS A 42 -19.084 0.390 -3.585 1.00 53.53 N ATOM 0 H HIS A 42 -14.312 -0.070 -0.193 1.00 71.43 H new ATOM 0 HA HIS A 42 -15.870 -2.226 -1.147 1.00 44.25 H new ATOM 0 HB2 HIS A 42 -16.836 -0.368 -0.013 1.00 40.33 H new ATOM 0 HB3 HIS A 42 -16.041 0.794 -1.057 1.00 40.33 H new ATOM 0 HD2 HIS A 42 -17.267 1.581 -3.152 1.00 55.41 H new ATOM 0 HE1 HIS A 42 -20.449 -1.243 -3.263 1.00 44.15 H new ATOM 0 HE2 HIS A 42 -19.510 0.878 -4.373 1.00 53.53 H new ATOM 698 N ALA A 43 -14.473 -0.455 -3.532 1.00 15.53 N ATOM 699 CA ALA A 43 -14.135 -0.394 -4.947 1.00 12.41 C ATOM 700 C ALA A 43 -13.185 -1.511 -5.382 1.00 13.10 C ATOM 701 O ALA A 43 -12.936 -1.642 -6.579 1.00 63.42 O ATOM 702 CB ALA A 43 -13.486 0.964 -5.239 1.00 73.41 C ATOM 0 H ALA A 43 -14.042 0.299 -2.997 1.00 15.53 H new ATOM 0 HA ALA A 43 -15.058 -0.523 -5.512 1.00 12.41 H new ATOM 0 HB1 ALA A 43 -13.227 1.024 -6.296 1.00 73.41 H new ATOM 0 HB2 ALA A 43 -14.185 1.762 -4.991 1.00 73.41 H new ATOM 0 HB3 ALA A 43 -12.583 1.073 -4.638 1.00 73.41 H new ATOM 708 N LEU A 44 -12.640 -2.289 -4.443 1.00 71.11 N ATOM 709 CA LEU A 44 -11.748 -3.409 -4.702 1.00 51.11 C ATOM 710 C LEU A 44 -12.263 -4.679 -4.032 1.00 62.02 C ATOM 711 O LEU A 44 -11.489 -5.624 -3.891 1.00 13.54 O ATOM 712 CB LEU A 44 -10.334 -3.092 -4.195 1.00 14.34 C ATOM 713 CG LEU A 44 -9.640 -1.901 -4.867 1.00 63.34 C ATOM 714 CD1 LEU A 44 -8.269 -1.770 -4.205 1.00 71.45 C ATOM 715 CD2 LEU A 44 -9.503 -2.096 -6.384 1.00 15.21 C ATOM 0 H LEU A 44 -12.817 -2.147 -3.449 1.00 71.11 H new ATOM 0 HA LEU A 44 -11.714 -3.572 -5.779 1.00 51.11 H new ATOM 0 HB2 LEU A 44 -10.386 -2.901 -3.123 1.00 14.34 H new ATOM 0 HB3 LEU A 44 -9.712 -3.976 -4.332 1.00 14.34 H new ATOM 0 HG LEU A 44 -10.232 -0.995 -4.738 1.00 63.34 H new ATOM 0 HD11 LEU A 44 -7.730 -0.933 -4.648 1.00 71.45 H new ATOM 0 HD12 LEU A 44 -8.396 -1.595 -3.137 1.00 71.45 H new ATOM 0 HD13 LEU A 44 -7.702 -2.688 -4.357 1.00 71.45 H new ATOM 0 HD21 LEU A 44 -9.006 -1.229 -6.819 1.00 15.21 H new ATOM 0 HD22 LEU A 44 -8.913 -2.990 -6.584 1.00 15.21 H new ATOM 0 HD23 LEU A 44 -10.493 -2.207 -6.827 1.00 15.21 H new ATOM 727 N LYS A 45 -13.527 -4.726 -3.593 1.00 75.11 N ATOM 728 CA LYS A 45 -14.133 -5.923 -3.004 1.00 62.02 C ATOM 729 C LYS A 45 -13.409 -6.421 -1.738 1.00 3.43 C ATOM 730 O LYS A 45 -13.564 -7.583 -1.346 1.00 2.20 O ATOM 731 CB LYS A 45 -14.233 -6.991 -4.116 1.00 35.44 C ATOM 732 CG LYS A 45 -15.656 -7.523 -4.261 1.00 42.24 C ATOM 733 CD LYS A 45 -15.726 -8.567 -5.382 1.00 64.12 C ATOM 734 CE LYS A 45 -17.173 -8.939 -5.707 1.00 14.32 C ATOM 735 NZ LYS A 45 -17.894 -9.444 -4.523 1.00 54.12 N ATOM 0 H LYS A 45 -14.161 -3.928 -3.638 1.00 75.11 H new ATOM 0 HA LYS A 45 -15.131 -5.682 -2.638 1.00 62.02 H new ATOM 0 HB2 LYS A 45 -13.907 -6.562 -5.063 1.00 35.44 H new ATOM 0 HB3 LYS A 45 -13.557 -7.816 -3.890 1.00 35.44 H new ATOM 0 HG2 LYS A 45 -15.982 -7.968 -3.321 1.00 42.24 H new ATOM 0 HG3 LYS A 45 -16.338 -6.701 -4.478 1.00 42.24 H new ATOM 0 HD2 LYS A 45 -15.239 -8.177 -6.276 1.00 64.12 H new ATOM 0 HD3 LYS A 45 -15.177 -9.460 -5.084 1.00 64.12 H new ATOM 0 HE2 LYS A 45 -17.692 -8.065 -6.102 1.00 14.32 H new ATOM 0 HE3 LYS A 45 -17.185 -9.698 -6.490 1.00 14.32 H new ATOM 0 HZ1 LYS A 45 -18.816 -9.826 -4.815 1.00 54.12 H new ATOM 0 HZ2 LYS A 45 -17.335 -10.196 -4.071 1.00 54.12 H new ATOM 0 HZ3 LYS A 45 -18.039 -8.667 -3.847 1.00 54.12 H new ATOM 749 N LEU A 46 -12.609 -5.572 -1.091 1.00 44.45 N ATOM 750 CA LEU A 46 -11.817 -5.883 0.100 1.00 61.05 C ATOM 751 C LEU A 46 -12.476 -5.268 1.332 1.00 44.34 C ATOM 752 O LEU A 46 -13.321 -4.375 1.222 1.00 15.41 O ATOM 753 CB LEU A 46 -10.390 -5.328 -0.081 1.00 15.22 C ATOM 754 CG LEU A 46 -9.485 -6.271 -0.895 1.00 61.11 C ATOM 755 CD1 LEU A 46 -8.310 -5.482 -1.474 1.00 13.13 C ATOM 756 CD2 LEU A 46 -8.927 -7.413 -0.034 1.00 3.20 C ATOM 0 H LEU A 46 -12.490 -4.606 -1.396 1.00 44.45 H new ATOM 0 HA LEU A 46 -11.765 -6.963 0.237 1.00 61.05 H new ATOM 0 HB2 LEU A 46 -10.441 -4.360 -0.580 1.00 15.22 H new ATOM 0 HB3 LEU A 46 -9.943 -5.158 0.899 1.00 15.22 H new ATOM 0 HG LEU A 46 -10.094 -6.701 -1.690 1.00 61.11 H new ATOM 0 HD11 LEU A 46 -7.671 -6.151 -2.050 1.00 13.13 H new ATOM 0 HD12 LEU A 46 -8.687 -4.692 -2.124 1.00 13.13 H new ATOM 0 HD13 LEU A 46 -7.734 -5.039 -0.662 1.00 13.13 H new ATOM 0 HD21 LEU A 46 -8.294 -8.055 -0.647 1.00 3.20 H new ATOM 0 HD22 LEU A 46 -8.339 -6.998 0.784 1.00 3.20 H new ATOM 0 HD23 LEU A 46 -9.752 -7.998 0.373 1.00 3.20 H new ATOM 768 N SER A 47 -12.059 -5.701 2.521 1.00 60.33 N ATOM 769 CA SER A 47 -12.483 -5.090 3.773 1.00 3.22 C ATOM 770 C SER A 47 -11.600 -3.882 4.095 1.00 11.41 C ATOM 771 O SER A 47 -10.446 -3.801 3.661 1.00 14.43 O ATOM 772 CB SER A 47 -12.461 -6.115 4.921 1.00 1.44 C ATOM 773 OG SER A 47 -12.083 -7.421 4.521 1.00 32.01 O ATOM 0 H SER A 47 -11.418 -6.485 2.640 1.00 60.33 H new ATOM 0 HA SER A 47 -13.511 -4.745 3.661 1.00 3.22 H new ATOM 0 HB2 SER A 47 -11.772 -5.768 5.691 1.00 1.44 H new ATOM 0 HB3 SER A 47 -13.451 -6.158 5.375 1.00 1.44 H new ATOM 0 HG SER A 47 -12.089 -8.016 5.299 1.00 32.01 H new ATOM 779 N GLU A 48 -12.099 -2.970 4.932 1.00 55.15 N ATOM 780 CA GLU A 48 -11.369 -1.773 5.336 1.00 42.11 C ATOM 781 C GLU A 48 -10.055 -2.138 6.012 1.00 44.14 C ATOM 782 O GLU A 48 -9.024 -1.514 5.768 1.00 12.22 O ATOM 783 CB GLU A 48 -12.188 -0.935 6.318 1.00 75.25 C ATOM 784 CG GLU A 48 -13.412 -0.255 5.695 1.00 60.12 C ATOM 785 CD GLU A 48 -14.420 0.121 6.789 1.00 71.12 C ATOM 786 OE1 GLU A 48 -14.753 -0.740 7.633 1.00 15.52 O ATOM 787 OE2 GLU A 48 -14.839 1.301 6.865 1.00 75.22 O ATOM 0 H GLU A 48 -13.027 -3.044 5.349 1.00 55.15 H new ATOM 0 HA GLU A 48 -11.176 -1.200 4.429 1.00 42.11 H new ATOM 0 HB2 GLU A 48 -12.519 -1.575 7.136 1.00 75.25 H new ATOM 0 HB3 GLU A 48 -11.543 -0.171 6.752 1.00 75.25 H new ATOM 0 HG2 GLU A 48 -13.104 0.638 5.151 1.00 60.12 H new ATOM 0 HG3 GLU A 48 -13.880 -0.923 4.972 1.00 60.12 H new ATOM 794 N VAL A 49 -10.101 -3.133 6.897 1.00 35.40 N ATOM 795 CA VAL A 49 -8.941 -3.568 7.651 1.00 20.22 C ATOM 796 C VAL A 49 -7.872 -4.097 6.689 1.00 15.34 C ATOM 797 O VAL A 49 -6.705 -3.767 6.858 1.00 35.03 O ATOM 798 CB VAL A 49 -9.375 -4.599 8.714 1.00 3.40 C ATOM 799 CG1 VAL A 49 -8.167 -5.167 9.464 1.00 73.23 C ATOM 800 CG2 VAL A 49 -10.342 -3.979 9.738 1.00 71.31 C ATOM 0 H VAL A 49 -10.950 -3.658 7.107 1.00 35.40 H new ATOM 0 HA VAL A 49 -8.492 -2.733 8.188 1.00 20.22 H new ATOM 0 HB VAL A 49 -9.882 -5.402 8.179 1.00 3.40 H new ATOM 0 HG11 VAL A 49 -8.506 -5.890 10.206 1.00 73.23 H new ATOM 0 HG12 VAL A 49 -7.498 -5.659 8.757 1.00 73.23 H new ATOM 0 HG13 VAL A 49 -7.635 -4.357 9.964 1.00 73.23 H new ATOM 0 HG21 VAL A 49 -10.627 -4.733 10.472 1.00 71.31 H new ATOM 0 HG22 VAL A 49 -9.852 -3.147 10.244 1.00 71.31 H new ATOM 0 HG23 VAL A 49 -11.233 -3.617 9.224 1.00 71.31 H new ATOM 810 N GLN A 50 -8.247 -4.851 5.655 1.00 53.14 N ATOM 811 CA GLN A 50 -7.289 -5.361 4.686 1.00 13.33 C ATOM 812 C GLN A 50 -6.566 -4.179 4.021 1.00 73.15 C ATOM 813 O GLN A 50 -5.337 -4.137 3.999 1.00 33.11 O ATOM 814 CB GLN A 50 -8.008 -6.249 3.652 1.00 32.13 C ATOM 815 CG GLN A 50 -8.840 -7.415 4.223 1.00 62.21 C ATOM 816 CD GLN A 50 -8.026 -8.567 4.818 1.00 32.01 C ATOM 817 OE1 GLN A 50 -6.801 -8.600 4.756 1.00 52.14 O ATOM 818 NE2 GLN A 50 -8.693 -9.543 5.413 1.00 14.52 N ATOM 0 H GLN A 50 -9.213 -5.121 5.471 1.00 53.14 H new ATOM 0 HA GLN A 50 -6.543 -5.980 5.185 1.00 13.33 H new ATOM 0 HB2 GLN A 50 -8.666 -5.617 3.056 1.00 32.13 H new ATOM 0 HB3 GLN A 50 -7.260 -6.660 2.974 1.00 32.13 H new ATOM 0 HG2 GLN A 50 -9.503 -7.023 4.995 1.00 62.21 H new ATOM 0 HG3 GLN A 50 -9.473 -7.811 3.429 1.00 62.21 H new ATOM 0 HE21 GLN A 50 -9.711 -9.509 5.461 1.00 14.52 H new ATOM 0 HE22 GLN A 50 -8.189 -10.329 5.824 1.00 14.52 H new ATOM 827 N VAL A 51 -7.309 -3.180 3.528 1.00 32.21 N ATOM 828 CA VAL A 51 -6.718 -1.996 2.904 1.00 53.15 C ATOM 829 C VAL A 51 -5.818 -1.252 3.892 1.00 55.21 C ATOM 830 O VAL A 51 -4.702 -0.874 3.524 1.00 44.35 O ATOM 831 CB VAL A 51 -7.814 -1.067 2.355 1.00 60.01 C ATOM 832 CG1 VAL A 51 -7.234 0.202 1.715 1.00 64.12 C ATOM 833 CG2 VAL A 51 -8.671 -1.775 1.300 1.00 12.23 C ATOM 0 H VAL A 51 -8.329 -3.172 3.551 1.00 32.21 H new ATOM 0 HA VAL A 51 -6.101 -2.325 2.068 1.00 53.15 H new ATOM 0 HB VAL A 51 -8.425 -0.792 3.215 1.00 60.01 H new ATOM 0 HG11 VAL A 51 -8.047 0.826 1.342 1.00 64.12 H new ATOM 0 HG12 VAL A 51 -6.663 0.757 2.460 1.00 64.12 H new ATOM 0 HG13 VAL A 51 -6.580 -0.074 0.888 1.00 64.12 H new ATOM 0 HG21 VAL A 51 -9.436 -1.090 0.933 1.00 12.23 H new ATOM 0 HG22 VAL A 51 -8.039 -2.091 0.470 1.00 12.23 H new ATOM 0 HG23 VAL A 51 -9.149 -2.648 1.745 1.00 12.23 H new ATOM 843 N LYS A 52 -6.266 -1.028 5.139 1.00 71.04 N ATOM 844 CA LYS A 52 -5.458 -0.272 6.088 1.00 2.51 C ATOM 845 C LYS A 52 -4.131 -0.989 6.332 1.00 35.34 C ATOM 846 O LYS A 52 -3.139 -0.325 6.627 1.00 64.31 O ATOM 847 CB LYS A 52 -6.226 0.047 7.390 1.00 43.23 C ATOM 848 CG LYS A 52 -6.008 -0.912 8.566 1.00 15.50 C ATOM 849 CD LYS A 52 -6.872 -0.542 9.780 1.00 61.33 C ATOM 850 CE LYS A 52 -7.052 -1.786 10.651 1.00 33.23 C ATOM 851 NZ LYS A 52 -7.647 -1.504 11.970 1.00 51.15 N ATOM 0 H LYS A 52 -7.163 -1.354 5.500 1.00 71.04 H new ATOM 0 HA LYS A 52 -5.230 0.700 5.651 1.00 2.51 H new ATOM 0 HB2 LYS A 52 -5.949 1.051 7.712 1.00 43.23 H new ATOM 0 HB3 LYS A 52 -7.291 0.069 7.161 1.00 43.23 H new ATOM 0 HG2 LYS A 52 -6.241 -1.929 8.252 1.00 15.50 H new ATOM 0 HG3 LYS A 52 -4.956 -0.900 8.853 1.00 15.50 H new ATOM 0 HD2 LYS A 52 -6.398 0.255 10.353 1.00 61.33 H new ATOM 0 HD3 LYS A 52 -7.842 -0.166 9.453 1.00 61.33 H new ATOM 0 HE2 LYS A 52 -7.683 -2.501 10.123 1.00 33.23 H new ATOM 0 HE3 LYS A 52 -6.082 -2.262 10.794 1.00 33.23 H new ATOM 0 HZ1 LYS A 52 -7.740 -2.391 12.506 1.00 51.15 H new ATOM 0 HZ2 LYS A 52 -7.035 -0.846 12.493 1.00 51.15 H new ATOM 0 HZ3 LYS A 52 -8.587 -1.077 11.843 1.00 51.15 H new ATOM 865 N ILE A 53 -4.110 -2.322 6.252 1.00 22.10 N ATOM 866 CA ILE A 53 -2.919 -3.118 6.481 1.00 52.43 C ATOM 867 C ILE A 53 -2.023 -3.094 5.242 1.00 24.21 C ATOM 868 O ILE A 53 -0.804 -3.064 5.419 1.00 31.22 O ATOM 869 CB ILE A 53 -3.302 -4.546 6.926 1.00 73.12 C ATOM 870 CG1 ILE A 53 -3.998 -4.509 8.308 1.00 40.25 C ATOM 871 CG2 ILE A 53 -2.045 -5.429 7.033 1.00 22.44 C ATOM 872 CD1 ILE A 53 -4.717 -5.804 8.696 1.00 33.14 C ATOM 0 H ILE A 53 -4.934 -2.878 6.023 1.00 22.10 H new ATOM 0 HA ILE A 53 -2.339 -2.686 7.297 1.00 52.43 H new ATOM 0 HB ILE A 53 -3.981 -4.961 6.181 1.00 73.12 H new ATOM 0 HG12 ILE A 53 -3.252 -4.281 9.069 1.00 40.25 H new ATOM 0 HG13 ILE A 53 -4.720 -3.692 8.315 1.00 40.25 H new ATOM 0 HG21 ILE A 53 -2.331 -6.433 7.348 1.00 22.44 H new ATOM 0 HG22 ILE A 53 -1.552 -5.480 6.062 1.00 22.44 H new ATOM 0 HG23 ILE A 53 -1.361 -5.000 7.765 1.00 22.44 H new ATOM 0 HD11 ILE A 53 -5.175 -5.686 9.678 1.00 33.14 H new ATOM 0 HD12 ILE A 53 -5.490 -6.026 7.960 1.00 33.14 H new ATOM 0 HD13 ILE A 53 -3.999 -6.624 8.727 1.00 33.14 H new ATOM 884 N TRP A 54 -2.557 -3.086 4.019 1.00 71.14 N ATOM 885 CA TRP A 54 -1.699 -3.000 2.843 1.00 24.34 C ATOM 886 C TRP A 54 -0.949 -1.671 2.845 1.00 0.52 C ATOM 887 O TRP A 54 0.279 -1.673 2.850 1.00 23.14 O ATOM 888 CB TRP A 54 -2.480 -3.210 1.546 1.00 54.15 C ATOM 889 CG TRP A 54 -1.574 -3.399 0.366 1.00 22.41 C ATOM 890 CD1 TRP A 54 -1.229 -4.597 -0.157 1.00 14.33 C ATOM 891 CD2 TRP A 54 -0.881 -2.398 -0.448 1.00 11.41 C ATOM 892 NE1 TRP A 54 -0.347 -4.414 -1.199 1.00 40.42 N ATOM 893 CE2 TRP A 54 -0.113 -3.078 -1.438 1.00 61.45 C ATOM 894 CE3 TRP A 54 -0.875 -0.985 -0.503 1.00 74.34 C ATOM 895 CZ2 TRP A 54 0.618 -2.400 -2.423 1.00 3.30 C ATOM 896 CZ3 TRP A 54 -0.148 -0.289 -1.488 1.00 63.34 C ATOM 897 CH2 TRP A 54 0.577 -1.000 -2.462 1.00 35.24 C ATOM 0 H TRP A 54 -3.557 -3.137 3.822 1.00 71.14 H new ATOM 0 HA TRP A 54 -0.970 -3.809 2.892 1.00 24.34 H new ATOM 0 HB2 TRP A 54 -3.126 -4.082 1.650 1.00 54.15 H new ATOM 0 HB3 TRP A 54 -3.128 -2.352 1.371 1.00 54.15 H new ATOM 0 HD1 TRP A 54 -1.591 -5.554 0.190 1.00 14.33 H new ATOM 0 HE1 TRP A 54 0.080 -5.174 -1.728 1.00 40.42 H new ATOM 0 HE3 TRP A 54 -1.441 -0.426 0.228 1.00 74.34 H new ATOM 0 HZ2 TRP A 54 1.206 -2.950 -3.143 1.00 3.30 H new ATOM 0 HZ3 TRP A 54 -0.147 0.791 -1.496 1.00 63.34 H new ATOM 0 HH2 TRP A 54 1.102 -0.466 -3.240 1.00 35.24 H new ATOM 908 N PHE A 55 -1.663 -0.539 2.901 1.00 32.04 N ATOM 909 CA PHE A 55 -1.037 0.781 2.778 1.00 51.21 C ATOM 910 C PHE A 55 0.067 0.964 3.817 1.00 41.12 C ATOM 911 O PHE A 55 1.152 1.439 3.480 1.00 23.23 O ATOM 912 CB PHE A 55 -2.070 1.904 2.914 1.00 73.40 C ATOM 913 CG PHE A 55 -2.820 2.282 1.649 1.00 75.04 C ATOM 914 CD1 PHE A 55 -3.887 1.490 1.185 1.00 21.00 C ATOM 915 CD2 PHE A 55 -2.528 3.493 0.989 1.00 71.14 C ATOM 916 CE1 PHE A 55 -4.692 1.947 0.130 1.00 22.30 C ATOM 917 CE2 PHE A 55 -3.320 3.917 -0.093 1.00 14.24 C ATOM 918 CZ PHE A 55 -4.413 3.153 -0.508 1.00 74.20 C ATOM 0 H PHE A 55 -2.674 -0.512 3.031 1.00 32.04 H new ATOM 0 HA PHE A 55 -0.596 0.836 1.783 1.00 51.21 H new ATOM 0 HB2 PHE A 55 -2.799 1.610 3.669 1.00 73.40 H new ATOM 0 HB3 PHE A 55 -1.563 2.792 3.290 1.00 73.40 H new ATOM 0 HD1 PHE A 55 -4.086 0.531 1.640 1.00 21.00 H new ATOM 0 HD2 PHE A 55 -1.694 4.097 1.315 1.00 71.14 H new ATOM 0 HE1 PHE A 55 -5.538 1.357 -0.191 1.00 22.30 H new ATOM 0 HE2 PHE A 55 -3.082 4.837 -0.605 1.00 14.24 H new ATOM 0 HZ PHE A 55 -5.038 3.496 -1.319 1.00 74.20 H new ATOM 928 N GLN A 56 -0.189 0.582 5.073 1.00 44.34 N ATOM 929 CA GLN A 56 0.816 0.717 6.116 1.00 55.42 C ATOM 930 C GLN A 56 2.051 -0.139 5.842 1.00 2.04 C ATOM 931 O GLN A 56 3.168 0.314 6.100 1.00 53.21 O ATOM 932 CB GLN A 56 0.239 0.411 7.497 1.00 71.43 C ATOM 933 CG GLN A 56 -0.145 -1.032 7.714 1.00 12.42 C ATOM 934 CD GLN A 56 -0.787 -1.267 9.064 1.00 41.22 C ATOM 935 OE1 GLN A 56 -0.147 -1.752 9.985 1.00 13.02 O ATOM 936 NE2 GLN A 56 -2.068 -0.993 9.186 1.00 11.42 N ATOM 0 H GLN A 56 -1.075 0.182 5.383 1.00 44.34 H new ATOM 0 HA GLN A 56 1.134 1.760 6.107 1.00 55.42 H new ATOM 0 HB2 GLN A 56 0.971 0.696 8.253 1.00 71.43 H new ATOM 0 HB3 GLN A 56 -0.641 1.035 7.655 1.00 71.43 H new ATOM 0 HG2 GLN A 56 -0.835 -1.343 6.929 1.00 12.42 H new ATOM 0 HG3 GLN A 56 0.743 -1.658 7.624 1.00 12.42 H new ATOM 0 HE21 GLN A 56 -2.580 -0.588 8.402 1.00 11.42 H new ATOM 0 HE22 GLN A 56 -2.549 -1.185 10.065 1.00 11.42 H new ATOM 945 N ASN A 57 1.858 -1.370 5.354 1.00 40.31 N ATOM 946 CA ASN A 57 2.944 -2.293 5.073 1.00 34.11 C ATOM 947 C ASN A 57 3.769 -1.711 3.935 1.00 0.32 C ATOM 948 O ASN A 57 5.001 -1.779 3.945 1.00 0.21 O ATOM 949 CB ASN A 57 2.389 -3.685 4.700 1.00 51.33 C ATOM 950 CG ASN A 57 2.243 -4.611 5.905 1.00 55.11 C ATOM 951 OD1 ASN A 57 2.959 -5.601 6.049 1.00 54.24 O ATOM 952 ND2 ASN A 57 1.284 -4.345 6.775 1.00 20.42 N ATOM 0 H ASN A 57 0.934 -1.748 5.144 1.00 40.31 H new ATOM 0 HA ASN A 57 3.570 -2.422 5.956 1.00 34.11 H new ATOM 0 HB2 ASN A 57 1.418 -3.566 4.220 1.00 51.33 H new ATOM 0 HB3 ASN A 57 3.051 -4.150 3.969 1.00 51.33 H new ATOM 0 HD21 ASN A 57 1.133 -4.963 7.573 1.00 20.42 H new ATOM 0 HD22 ASN A 57 0.695 -3.522 6.649 1.00 20.42 H new ATOM 959 N GLU A 58 3.088 -1.107 2.967 1.00 62.04 N ATOM 960 CA GLU A 58 3.722 -0.617 1.758 1.00 63.40 C ATOM 961 C GLU A 58 4.533 0.625 2.076 1.00 61.23 C ATOM 962 O GLU A 58 5.660 0.739 1.611 1.00 43.42 O ATOM 963 CB GLU A 58 2.701 -0.336 0.659 1.00 75.13 C ATOM 964 CG GLU A 58 3.371 -0.378 -0.730 1.00 75.42 C ATOM 965 CD GLU A 58 3.693 -1.797 -1.240 1.00 55.43 C ATOM 966 OE1 GLU A 58 3.583 -2.790 -0.485 1.00 35.14 O ATOM 967 OE2 GLU A 58 4.116 -1.941 -2.411 1.00 20.32 O ATOM 0 H GLU A 58 2.081 -0.946 3.003 1.00 62.04 H new ATOM 0 HA GLU A 58 4.389 -1.393 1.381 1.00 63.40 H new ATOM 0 HB2 GLU A 58 1.899 -1.072 0.704 1.00 75.13 H new ATOM 0 HB3 GLU A 58 2.246 0.641 0.820 1.00 75.13 H new ATOM 0 HG2 GLU A 58 2.717 0.114 -1.450 1.00 75.42 H new ATOM 0 HG3 GLU A 58 4.295 0.199 -0.692 1.00 75.42 H new ATOM 974 N ARG A 59 4.026 1.520 2.930 1.00 40.14 N ATOM 975 CA ARG A 59 4.755 2.719 3.345 1.00 63.33 C ATOM 976 C ARG A 59 6.128 2.342 3.879 1.00 21.14 C ATOM 977 O ARG A 59 7.121 2.966 3.520 1.00 3.32 O ATOM 978 CB ARG A 59 3.912 3.503 4.371 1.00 14.35 C ATOM 979 CG ARG A 59 4.089 5.026 4.333 1.00 55.42 C ATOM 980 CD ARG A 59 5.342 5.558 5.037 1.00 42.10 C ATOM 981 NE ARG A 59 5.448 7.002 4.787 1.00 60.42 N ATOM 982 CZ ARG A 59 5.845 7.978 5.605 1.00 60.11 C ATOM 983 NH1 ARG A 59 6.395 7.716 6.786 1.00 20.13 N ATOM 984 NH2 ARG A 59 5.686 9.234 5.206 1.00 23.54 N ATOM 0 H ARG A 59 3.101 1.433 3.351 1.00 40.14 H new ATOM 0 HA ARG A 59 4.921 3.372 2.488 1.00 63.33 H new ATOM 0 HB2 ARG A 59 2.860 3.271 4.206 1.00 14.35 H new ATOM 0 HB3 ARG A 59 4.163 3.149 5.371 1.00 14.35 H new ATOM 0 HG2 ARG A 59 4.114 5.346 3.291 1.00 55.42 H new ATOM 0 HG3 ARG A 59 3.213 5.488 4.788 1.00 55.42 H new ATOM 0 HD2 ARG A 59 5.285 5.364 6.108 1.00 42.10 H new ATOM 0 HD3 ARG A 59 6.230 5.045 4.667 1.00 42.10 H new ATOM 0 HE ARG A 59 5.178 7.302 3.850 1.00 60.42 H new ATOM 0 HH11 ARG A 59 6.522 6.750 7.086 1.00 20.13 H new ATOM 0 HH12 ARG A 59 6.690 8.481 7.392 1.00 20.13 H new ATOM 0 HH21 ARG A 59 5.270 9.431 4.296 1.00 23.54 H new ATOM 0 HH22 ARG A 59 5.980 10.002 5.810 1.00 23.54 H new ATOM 998 N ALA A 60 6.194 1.295 4.695 1.00 44.01 N ATOM 999 CA ALA A 60 7.436 0.894 5.333 1.00 11.11 C ATOM 1000 C ALA A 60 8.371 0.224 4.340 1.00 53.31 C ATOM 1001 O ALA A 60 9.582 0.448 4.399 1.00 54.13 O ATOM 1002 CB ALA A 60 7.166 -0.030 6.517 1.00 64.54 C ATOM 0 H ALA A 60 5.394 0.707 4.929 1.00 44.01 H new ATOM 0 HA ALA A 60 7.924 1.796 5.704 1.00 11.11 H new ATOM 0 HB1 ALA A 60 8.111 -0.316 6.978 1.00 64.54 H new ATOM 0 HB2 ALA A 60 6.547 0.489 7.250 1.00 64.54 H new ATOM 0 HB3 ALA A 60 6.646 -0.923 6.170 1.00 64.54 H new ATOM 1008 N LYS A 61 7.816 -0.577 3.429 1.00 40.02 N ATOM 1009 CA LYS A 61 8.537 -1.186 2.342 1.00 74.12 C ATOM 1010 C LYS A 61 9.119 -0.116 1.432 1.00 64.32 C ATOM 1011 O LYS A 61 10.306 -0.171 1.138 1.00 41.21 O ATOM 1012 CB LYS A 61 7.567 -2.159 1.657 1.00 35.31 C ATOM 1013 CG LYS A 61 7.875 -2.405 0.186 1.00 72.24 C ATOM 1014 CD LYS A 61 6.877 -3.386 -0.425 1.00 34.21 C ATOM 1015 CE LYS A 61 7.295 -4.827 -0.158 1.00 23.24 C ATOM 1016 NZ LYS A 61 6.404 -5.784 -0.836 1.00 64.05 N ATOM 0 H LYS A 61 6.825 -0.818 3.439 1.00 40.02 H new ATOM 0 HA LYS A 61 9.404 -1.756 2.677 1.00 74.12 H new ATOM 0 HB2 LYS A 61 7.589 -3.111 2.187 1.00 35.31 H new ATOM 0 HB3 LYS A 61 6.553 -1.768 1.745 1.00 35.31 H new ATOM 0 HG2 LYS A 61 7.843 -1.461 -0.359 1.00 72.24 H new ATOM 0 HG3 LYS A 61 8.886 -2.798 0.083 1.00 72.24 H new ATOM 0 HD2 LYS A 61 5.885 -3.208 -0.009 1.00 34.21 H new ATOM 0 HD3 LYS A 61 6.807 -3.217 -1.500 1.00 34.21 H new ATOM 0 HE2 LYS A 61 8.319 -4.978 -0.499 1.00 23.24 H new ATOM 0 HE3 LYS A 61 7.285 -5.017 0.915 1.00 23.24 H new ATOM 0 HZ1 LYS A 61 6.928 -6.657 -1.046 1.00 64.05 H new ATOM 0 HZ2 LYS A 61 5.597 -6.005 -0.218 1.00 64.05 H new ATOM 0 HZ3 LYS A 61 6.057 -5.367 -1.723 1.00 64.05 H new ATOM 1030 N TRP A 62 8.327 0.858 0.996 1.00 22.45 N ATOM 1031 CA TRP A 62 8.780 1.886 0.085 1.00 62.32 C ATOM 1032 C TRP A 62 9.804 2.782 0.777 1.00 34.21 C ATOM 1033 O TRP A 62 10.755 3.228 0.137 1.00 74.14 O ATOM 1034 CB TRP A 62 7.590 2.659 -0.494 1.00 22.11 C ATOM 1035 CG TRP A 62 7.843 3.170 -1.877 1.00 64.20 C ATOM 1036 CD1 TRP A 62 7.418 2.586 -3.021 1.00 24.41 C ATOM 1037 CD2 TRP A 62 8.603 4.341 -2.289 1.00 41.11 C ATOM 1038 NE1 TRP A 62 7.858 3.314 -4.109 1.00 21.14 N ATOM 1039 CE2 TRP A 62 8.603 4.401 -3.713 1.00 63.23 C ATOM 1040 CE3 TRP A 62 9.267 5.379 -1.601 1.00 73.40 C ATOM 1041 CZ2 TRP A 62 9.239 5.433 -4.415 1.00 73.34 C ATOM 1042 CZ3 TRP A 62 9.910 6.421 -2.289 1.00 51.34 C ATOM 1043 CH2 TRP A 62 9.899 6.443 -3.695 1.00 72.44 C ATOM 0 H TRP A 62 7.349 0.951 1.270 1.00 22.45 H new ATOM 0 HA TRP A 62 9.285 1.427 -0.765 1.00 62.32 H new ATOM 0 HB2 TRP A 62 6.714 2.011 -0.507 1.00 22.11 H new ATOM 0 HB3 TRP A 62 7.356 3.499 0.161 1.00 22.11 H new ATOM 0 HD1 TRP A 62 6.824 1.686 -3.075 1.00 24.41 H new ATOM 0 HE1 TRP A 62 7.657 3.077 -5.080 1.00 21.14 H new ATOM 0 HE3 TRP A 62 9.281 5.372 -0.521 1.00 73.40 H new ATOM 0 HZ2 TRP A 62 9.222 5.452 -5.495 1.00 73.34 H new ATOM 0 HZ3 TRP A 62 10.412 7.204 -1.739 1.00 51.34 H new ATOM 0 HH2 TRP A 62 10.400 7.240 -4.224 1.00 72.44 H new ATOM 1054 N LYS A 63 9.724 2.976 2.101 1.00 33.34 N ATOM 1055 CA LYS A 63 10.824 3.654 2.796 1.00 52.14 C ATOM 1056 C LYS A 63 12.142 2.861 2.773 1.00 35.34 C ATOM 1057 O LYS A 63 13.172 3.424 3.140 1.00 13.25 O ATOM 1058 CB LYS A 63 10.404 4.107 4.206 1.00 1.03 C ATOM 1059 CG LYS A 63 9.438 5.308 4.108 1.00 73.43 C ATOM 1060 CD LYS A 63 9.470 6.233 5.331 1.00 23.23 C ATOM 1061 CE LYS A 63 10.330 7.470 5.039 1.00 55.11 C ATOM 1062 NZ LYS A 63 10.389 8.399 6.181 1.00 44.33 N ATOM 0 H LYS A 63 8.944 2.687 2.691 1.00 33.34 H new ATOM 0 HA LYS A 63 11.044 4.559 2.230 1.00 52.14 H new ATOM 0 HB2 LYS A 63 9.922 3.284 4.733 1.00 1.03 H new ATOM 0 HB3 LYS A 63 11.285 4.384 4.785 1.00 1.03 H new ATOM 0 HG2 LYS A 63 9.685 5.889 3.219 1.00 73.43 H new ATOM 0 HG3 LYS A 63 8.423 4.935 3.973 1.00 73.43 H new ATOM 0 HD2 LYS A 63 8.457 6.539 5.591 1.00 23.23 H new ATOM 0 HD3 LYS A 63 9.872 5.697 6.191 1.00 23.23 H new ATOM 0 HE2 LYS A 63 11.340 7.153 4.780 1.00 55.11 H new ATOM 0 HE3 LYS A 63 9.927 7.992 4.171 1.00 55.11 H new ATOM 0 HZ1 LYS A 63 10.981 9.217 5.933 1.00 44.33 H new ATOM 0 HZ2 LYS A 63 9.429 8.725 6.414 1.00 44.33 H new ATOM 0 HZ3 LYS A 63 10.798 7.912 7.004 1.00 44.33 H new ATOM 1076 N ARG A 64 12.185 1.608 2.309 1.00 53.32 N ATOM 1077 CA ARG A 64 13.418 0.841 2.066 1.00 73.44 C ATOM 1078 C ARG A 64 13.874 0.967 0.593 1.00 43.40 C ATOM 1079 O ARG A 64 14.768 0.234 0.160 1.00 0.12 O ATOM 1080 CB ARG A 64 13.221 -0.630 2.511 1.00 75.43 C ATOM 1081 CG ARG A 64 12.790 -0.794 3.990 1.00 1.41 C ATOM 1082 CD ARG A 64 11.975 -2.069 4.289 1.00 43.43 C ATOM 1083 NE ARG A 64 12.803 -3.209 4.720 1.00 1.43 N ATOM 1084 CZ ARG A 64 12.408 -4.465 4.982 1.00 62.53 C ATOM 1085 NH1 ARG A 64 11.127 -4.816 4.975 1.00 13.02 N ATOM 1086 NH2 ARG A 64 13.316 -5.388 5.263 1.00 53.43 N ATOM 0 H ARG A 64 11.341 1.082 2.085 1.00 53.32 H new ATOM 0 HA ARG A 64 14.225 1.259 2.668 1.00 73.44 H new ATOM 0 HB2 ARG A 64 12.470 -1.094 1.872 1.00 75.43 H new ATOM 0 HB3 ARG A 64 14.153 -1.173 2.353 1.00 75.43 H new ATOM 0 HG2 ARG A 64 13.682 -0.795 4.616 1.00 1.41 H new ATOM 0 HG3 ARG A 64 12.199 0.075 4.280 1.00 1.41 H new ATOM 0 HD2 ARG A 64 11.242 -1.848 5.065 1.00 43.43 H new ATOM 0 HD3 ARG A 64 11.418 -2.352 3.396 1.00 43.43 H new ATOM 0 HE ARG A 64 13.799 -3.021 4.833 1.00 1.43 H new ATOM 0 HH11 ARG A 64 10.409 -4.122 4.766 1.00 13.02 H new ATOM 0 HH12 ARG A 64 10.861 -5.779 5.178 1.00 13.02 H new ATOM 0 HH21 ARG A 64 14.306 -5.142 5.279 1.00 53.43 H new ATOM 0 HH22 ARG A 64 13.025 -6.345 5.463 1.00 53.43 H new ATOM 1100 N ILE A 65 13.260 1.868 -0.190 1.00 33.54 N ATOM 1101 CA ILE A 65 13.519 2.123 -1.617 1.00 53.02 C ATOM 1102 C ILE A 65 13.976 3.574 -1.837 1.00 4.22 C ATOM 1103 O ILE A 65 14.491 3.908 -2.902 1.00 33.44 O ATOM 1104 CB ILE A 65 12.252 1.791 -2.460 1.00 13.05 C ATOM 1105 CG1 ILE A 65 11.794 0.352 -2.145 1.00 15.04 C ATOM 1106 CG2 ILE A 65 12.474 2.000 -3.970 1.00 75.54 C ATOM 1107 CD1 ILE A 65 10.532 -0.114 -2.875 1.00 32.23 C ATOM 0 H ILE A 65 12.526 2.474 0.177 1.00 33.54 H new ATOM 0 HA ILE A 65 14.327 1.472 -1.950 1.00 53.02 H new ATOM 0 HB ILE A 65 11.463 2.489 -2.180 1.00 13.05 H new ATOM 0 HG12 ILE A 65 12.607 -0.331 -2.390 1.00 15.04 H new ATOM 0 HG13 ILE A 65 11.622 0.271 -1.072 1.00 15.04 H new ATOM 0 HG21 ILE A 65 11.559 1.754 -4.510 1.00 75.54 H new ATOM 0 HG22 ILE A 65 12.738 3.041 -4.158 1.00 75.54 H new ATOM 0 HG23 ILE A 65 13.282 1.353 -4.312 1.00 75.54 H new ATOM 0 HD11 ILE A 65 10.299 -1.138 -2.582 1.00 32.23 H new ATOM 0 HD12 ILE A 65 9.698 0.537 -2.613 1.00 32.23 H new ATOM 0 HD13 ILE A 65 10.699 -0.074 -3.951 1.00 32.23 H new ATOM 1119 N LYS A 66 13.810 4.458 -0.847 1.00 55.44 N ATOM 1120 CA LYS A 66 14.347 5.825 -0.879 1.00 23.15 C ATOM 1121 C LYS A 66 15.880 5.770 -0.811 1.00 32.32 C ATOM 1122 O LYS A 66 16.477 5.974 0.243 1.00 40.42 O ATOM 1123 CB LYS A 66 13.662 6.740 0.161 1.00 34.35 C ATOM 1124 CG LYS A 66 13.786 6.304 1.636 1.00 62.41 C ATOM 1125 CD LYS A 66 14.680 7.235 2.468 1.00 20.13 C ATOM 1126 CE LYS A 66 14.008 8.567 2.804 1.00 21.15 C ATOM 1127 NZ LYS A 66 14.930 9.461 3.530 1.00 62.14 N ATOM 0 H LYS A 66 13.295 4.244 0.007 1.00 55.44 H new ATOM 0 HA LYS A 66 14.104 6.305 -1.827 1.00 23.15 H new ATOM 0 HB2 LYS A 66 14.079 7.742 0.063 1.00 34.35 H new ATOM 0 HB3 LYS A 66 12.603 6.810 -0.088 1.00 34.35 H new ATOM 0 HG2 LYS A 66 12.792 6.270 2.083 1.00 62.41 H new ATOM 0 HG3 LYS A 66 14.189 5.292 1.677 1.00 62.41 H new ATOM 0 HD2 LYS A 66 14.958 6.731 3.394 1.00 20.13 H new ATOM 0 HD3 LYS A 66 15.603 7.428 1.921 1.00 20.13 H new ATOM 0 HE2 LYS A 66 13.675 9.051 1.886 1.00 21.15 H new ATOM 0 HE3 LYS A 66 13.120 8.387 3.409 1.00 21.15 H new ATOM 0 HZ1 LYS A 66 14.448 10.357 3.745 1.00 62.14 H new ATOM 0 HZ2 LYS A 66 15.228 9.007 4.417 1.00 62.14 H new ATOM 0 HZ3 LYS A 66 15.766 9.651 2.941 1.00 62.14 H new ATOM 1141 N ALA A 67 16.525 5.439 -1.928 1.00 4.03 N ATOM 1142 CA ALA A 67 17.955 5.177 -1.981 1.00 61.10 C ATOM 1143 C ALA A 67 18.770 6.401 -1.569 1.00 13.15 C ATOM 1144 O ALA A 67 19.753 6.263 -0.841 1.00 0.24 O ATOM 1145 CB ALA A 67 18.347 4.699 -3.379 1.00 20.23 C ATOM 0 H ALA A 67 16.060 5.345 -2.831 1.00 4.03 H new ATOM 0 HA ALA A 67 18.182 4.388 -1.264 1.00 61.10 H new ATOM 0 HB1 ALA A 67 19.419 4.505 -3.410 1.00 20.23 H new ATOM 0 HB2 ALA A 67 17.806 3.783 -3.615 1.00 20.23 H new ATOM 0 HB3 ALA A 67 18.096 5.468 -4.110 1.00 20.23 H new ATOM 1151 N GLY A 68 18.332 7.583 -1.994 1.00 75.52 N ATOM 1152 CA GLY A 68 18.917 8.873 -1.667 1.00 63.41 C ATOM 1153 C GLY A 68 19.701 9.468 -2.835 1.00 43.22 C ATOM 1154 O GLY A 68 19.848 10.691 -2.890 1.00 23.55 O ATOM 0 H GLY A 68 17.520 7.667 -2.605 1.00 75.52 H new ATOM 0 HA2 GLY A 68 18.127 9.564 -1.374 1.00 63.41 H new ATOM 0 HA3 GLY A 68 19.578 8.762 -0.808 1.00 63.41 H new ATOM 1158 N ASN A 69 20.170 8.663 -3.791 1.00 41.33 N ATOM 1159 CA ASN A 69 21.013 9.058 -4.897 1.00 70.41 C ATOM 1160 C ASN A 69 20.720 8.080 -6.012 1.00 65.40 C ATOM 1161 O ASN A 69 20.490 6.892 -5.769 1.00 34.45 O ATOM 1162 CB ASN A 69 22.494 8.992 -4.544 1.00 23.32 C ATOM 1163 CG ASN A 69 22.999 10.288 -3.933 1.00 23.33 C ATOM 1164 OD1 ASN A 69 22.914 10.482 -2.723 1.00 5.34 O ATOM 1165 ND2 ASN A 69 23.532 11.181 -4.747 1.00 51.44 N ATOM 0 H ASN A 69 19.954 7.666 -3.805 1.00 41.33 H new ATOM 0 HA ASN A 69 20.804 10.091 -5.175 1.00 70.41 H new ATOM 0 HB2 ASN A 69 22.662 8.173 -3.844 1.00 23.32 H new ATOM 0 HB3 ASN A 69 23.070 8.768 -5.442 1.00 23.32 H new ATOM 0 HD21 ASN A 69 23.888 12.062 -4.375 1.00 51.44 H new ATOM 0 HD22 ASN A 69 23.588 10.990 -5.747 1.00 51.44 H new ATOM 1172 N VAL A 70 20.784 8.586 -7.230 1.00 63.51 N ATOM 1173 CA VAL A 70 21.068 7.794 -8.412 1.00 64.10 C ATOM 1174 C VAL A 70 22.531 7.354 -8.282 1.00 73.40 C ATOM 1175 O VAL A 70 23.443 8.021 -8.773 1.00 70.13 O ATOM 1176 CB VAL A 70 20.769 8.614 -9.686 1.00 62.52 C ATOM 1177 CG1 VAL A 70 20.932 7.759 -10.946 1.00 33.25 C ATOM 1178 CG2 VAL A 70 19.335 9.161 -9.663 1.00 74.51 C ATOM 0 H VAL A 70 20.638 9.576 -7.429 1.00 63.51 H new ATOM 0 HA VAL A 70 20.436 6.910 -8.495 1.00 64.10 H new ATOM 0 HB VAL A 70 21.482 9.438 -9.705 1.00 62.52 H new ATOM 0 HG11 VAL A 70 20.715 8.364 -11.827 1.00 33.25 H new ATOM 0 HG12 VAL A 70 21.955 7.388 -11.004 1.00 33.25 H new ATOM 0 HG13 VAL A 70 20.242 6.916 -10.906 1.00 33.25 H new ATOM 0 HG21 VAL A 70 19.150 9.735 -10.571 1.00 74.51 H new ATOM 0 HG22 VAL A 70 18.630 8.332 -9.608 1.00 74.51 H new ATOM 0 HG23 VAL A 70 19.205 9.806 -8.794 1.00 74.51 H new ATOM 1188 N SER A 71 22.758 6.291 -7.514 1.00 11.35 N ATOM 1189 CA SER A 71 23.919 5.442 -7.666 1.00 23.21 C ATOM 1190 C SER A 71 23.534 4.532 -8.819 1.00 11.31 C ATOM 1191 O SER A 71 24.182 4.580 -9.878 1.00 24.32 O ATOM 1192 CB SER A 71 24.178 4.683 -6.354 1.00 73.43 C ATOM 1193 OG SER A 71 25.540 4.315 -6.240 1.00 41.40 O ATOM 0 H SER A 71 22.131 5.999 -6.764 1.00 11.35 H new ATOM 0 HA SER A 71 24.849 5.972 -7.874 1.00 23.21 H new ATOM 0 HB2 SER A 71 23.894 5.307 -5.507 1.00 73.43 H new ATOM 0 HB3 SER A 71 23.552 3.791 -6.316 1.00 73.43 H new ATOM 0 HG SER A 71 25.680 3.835 -5.397 1.00 41.40 H new TER 1199 SER A 71