USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 651 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 11 ASN : amide:sc= -1.01 K(o=-1.1,f=-2.9) USER MOD Set 1.2: A 46 HIS : no HE2:sc= -0.494 K(o=-1.1,f=-4.4!) USER MOD Set 1.3: A 70 TYR OH : rot 45:sc= 0.385 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.11 (180deg=0) USER MOD Single : A 2 MET CE :methyl -148:sc= 0 (180deg=-0.0507) USER MOD Single : A 3 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.42) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -160:sc= -0.122 (180deg=-1.06) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0201) USER MOD Single : A 25 SER OG : rot 22:sc= 1.2 USER MOD Single : A 30 ASN : amide:sc= 1.05 K(o=1,f=-0.56) USER MOD Single : A 32 TYR OH : rot 121:sc= 0.916 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -151:sc= 0 (180deg=-0.21) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.54 (180deg=0.099) USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= 1.07 (180deg=0.256) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 141:sc= -0.0143 (180deg=-1.96!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0.939 K(o=0.94,f=-6.8!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.387 8.649 1.982 1.00 30.41 N ATOM 2 CA GLY A 1 -17.780 8.306 0.686 1.00 23.21 C ATOM 3 C GLY A 1 -16.965 7.028 0.773 1.00 5.41 C ATOM 4 O GLY A 1 -16.654 6.565 1.871 1.00 45.11 O ATOM 0 H1 GLY A 1 -19.423 8.609 1.902 1.00 30.41 H new ATOM 0 H2 GLY A 1 -18.069 7.971 2.704 1.00 30.41 H new ATOM 0 H3 GLY A 1 -18.098 9.609 2.257 1.00 30.41 H new ATOM 0 HA2 GLY A 1 -18.563 8.189 -0.064 1.00 23.21 H new ATOM 0 HA3 GLY A 1 -17.141 9.124 0.355 1.00 23.21 H new ATOM 8 N MET A 2 -16.578 6.446 -0.368 1.00 10.33 N ATOM 9 CA MET A 2 -15.750 5.236 -0.424 1.00 21.14 C ATOM 10 C MET A 2 -14.251 5.550 -0.249 1.00 34.43 C ATOM 11 O MET A 2 -13.434 5.150 -1.078 1.00 24.32 O ATOM 12 CB MET A 2 -16.042 4.448 -1.718 1.00 51.23 C ATOM 13 CG MET A 2 -15.766 5.209 -3.029 1.00 32.34 C ATOM 14 SD MET A 2 -17.188 6.061 -3.753 1.00 31.14 S ATOM 15 CE MET A 2 -18.111 4.640 -4.392 1.00 52.23 C ATOM 0 H MET A 2 -16.834 6.806 -1.288 1.00 10.33 H new ATOM 0 HA MET A 2 -16.019 4.600 0.420 1.00 21.14 H new ATOM 0 HB2 MET A 2 -15.443 3.538 -1.713 1.00 51.23 H new ATOM 0 HB3 MET A 2 -17.088 4.141 -1.709 1.00 51.23 H new ATOM 0 HG2 MET A 2 -14.981 5.943 -2.844 1.00 32.34 H new ATOM 0 HG3 MET A 2 -15.376 4.503 -3.762 1.00 32.34 H new ATOM 0 HE1 MET A 2 -18.649 4.931 -5.294 1.00 52.23 H new ATOM 0 HE2 MET A 2 -17.418 3.832 -4.627 1.00 52.23 H new ATOM 0 HE3 MET A 2 -18.823 4.300 -3.640 1.00 52.23 H new ATOM 25 N GLN A 3 -13.870 6.278 0.806 1.00 74.02 N ATOM 26 CA GLN A 3 -12.520 6.827 0.918 1.00 44.42 C ATOM 27 C GLN A 3 -11.615 6.013 1.835 1.00 32.24 C ATOM 28 O GLN A 3 -10.588 5.541 1.396 1.00 52.15 O ATOM 29 CB GLN A 3 -12.633 8.298 1.372 1.00 10.41 C ATOM 30 CG GLN A 3 -12.638 9.301 0.205 1.00 51.32 C ATOM 31 CD GLN A 3 -13.610 8.942 -0.916 1.00 71.04 C ATOM 32 OE1 GLN A 3 -14.824 9.083 -0.781 1.00 1.10 O ATOM 33 NE2 GLN A 3 -13.104 8.458 -2.037 1.00 22.33 N ATOM 0 H GLN A 3 -14.480 6.499 1.593 1.00 74.02 H new ATOM 0 HA GLN A 3 -12.039 6.775 -0.059 1.00 44.42 H new ATOM 0 HB2 GLN A 3 -13.548 8.422 1.951 1.00 10.41 H new ATOM 0 HB3 GLN A 3 -11.801 8.530 2.037 1.00 10.41 H new ATOM 0 HG2 GLN A 3 -12.891 10.289 0.589 1.00 51.32 H new ATOM 0 HG3 GLN A 3 -11.631 9.368 -0.208 1.00 51.32 H new ATOM 0 HE21 GLN A 3 -12.095 8.347 -2.135 1.00 22.33 H new ATOM 0 HE22 GLN A 3 -13.723 8.196 -2.804 1.00 22.33 H new ATOM 42 N PHE A 4 -12.082 5.646 3.012 1.00 64.23 N ATOM 43 CA PHE A 4 -11.389 5.025 4.146 1.00 25.04 C ATOM 44 C PHE A 4 -11.434 3.517 3.957 1.00 11.23 C ATOM 45 O PHE A 4 -10.420 2.823 3.977 1.00 33.14 O ATOM 46 CB PHE A 4 -12.079 5.393 5.472 1.00 65.04 C ATOM 47 CG PHE A 4 -11.306 6.352 6.346 1.00 34.34 C ATOM 48 CD1 PHE A 4 -10.803 7.548 5.809 1.00 62.15 C ATOM 49 CD2 PHE A 4 -11.096 6.051 7.704 1.00 32.12 C ATOM 50 CE1 PHE A 4 -10.084 8.433 6.623 1.00 34.43 C ATOM 51 CE2 PHE A 4 -10.367 6.937 8.517 1.00 62.05 C ATOM 52 CZ PHE A 4 -9.863 8.132 7.977 1.00 62.12 C ATOM 0 H PHE A 4 -13.068 5.788 3.231 1.00 64.23 H new ATOM 0 HA PHE A 4 -10.360 5.382 4.185 1.00 25.04 H new ATOM 0 HB2 PHE A 4 -13.052 5.831 5.249 1.00 65.04 H new ATOM 0 HB3 PHE A 4 -12.263 4.478 6.035 1.00 65.04 H new ATOM 0 HD1 PHE A 4 -10.970 7.786 4.769 1.00 62.15 H new ATOM 0 HD2 PHE A 4 -11.495 5.139 8.122 1.00 32.12 H new ATOM 0 HE1 PHE A 4 -9.698 9.352 6.207 1.00 34.43 H new ATOM 0 HE2 PHE A 4 -10.195 6.699 9.556 1.00 62.05 H new ATOM 0 HZ PHE A 4 -9.308 8.817 8.601 1.00 62.12 H new ATOM 62 N LYS A 5 -12.653 3.016 3.717 1.00 52.35 N ATOM 63 CA LYS A 5 -12.903 1.612 3.423 1.00 12.41 C ATOM 64 C LYS A 5 -12.024 1.153 2.250 1.00 34.24 C ATOM 65 O LYS A 5 -11.480 0.054 2.296 1.00 43.24 O ATOM 66 CB LYS A 5 -14.402 1.409 3.130 1.00 44.51 C ATOM 67 CG LYS A 5 -15.287 1.510 4.388 1.00 21.43 C ATOM 68 CD LYS A 5 -16.726 1.975 4.110 1.00 11.54 C ATOM 69 CE LYS A 5 -16.721 3.477 3.810 1.00 25.10 C ATOM 70 NZ LYS A 5 -18.070 4.057 3.652 1.00 23.43 N ATOM 0 H LYS A 5 -13.498 3.587 3.723 1.00 52.35 H new ATOM 0 HA LYS A 5 -12.640 1.000 4.286 1.00 12.41 H new ATOM 0 HB2 LYS A 5 -14.728 2.154 2.404 1.00 44.51 H new ATOM 0 HB3 LYS A 5 -14.546 0.431 2.670 1.00 44.51 H new ATOM 0 HG2 LYS A 5 -15.320 0.535 4.875 1.00 21.43 H new ATOM 0 HG3 LYS A 5 -14.823 2.202 5.091 1.00 21.43 H new ATOM 0 HD2 LYS A 5 -17.142 1.425 3.266 1.00 11.54 H new ATOM 0 HD3 LYS A 5 -17.361 1.766 4.971 1.00 11.54 H new ATOM 0 HE2 LYS A 5 -16.204 3.997 4.616 1.00 25.10 H new ATOM 0 HE3 LYS A 5 -16.150 3.654 2.898 1.00 25.10 H new ATOM 0 HZ1 LYS A 5 -17.989 5.074 3.451 1.00 23.43 H new ATOM 0 HZ2 LYS A 5 -18.560 3.587 2.865 1.00 23.43 H new ATOM 0 HZ3 LYS A 5 -18.612 3.919 4.529 1.00 23.43 H new ATOM 84 N ALA A 6 -11.850 2.008 1.233 1.00 31.43 N ATOM 85 CA ALA A 6 -10.940 1.743 0.141 1.00 43.34 C ATOM 86 C ALA A 6 -9.497 2.058 0.540 1.00 70.33 C ATOM 87 O ALA A 6 -8.615 1.294 0.153 1.00 73.45 O ATOM 88 CB ALA A 6 -11.382 2.514 -1.103 1.00 42.53 C ATOM 0 H ALA A 6 -12.342 2.898 1.156 1.00 31.43 H new ATOM 0 HA ALA A 6 -10.969 0.680 -0.100 1.00 43.34 H new ATOM 0 HB1 ALA A 6 -10.692 2.310 -1.922 1.00 42.53 H new ATOM 0 HB2 ALA A 6 -12.386 2.200 -1.388 1.00 42.53 H new ATOM 0 HB3 ALA A 6 -11.383 3.582 -0.887 1.00 42.53 H new ATOM 94 N GLU A 7 -9.237 3.165 1.252 1.00 71.21 N ATOM 95 CA GLU A 7 -7.862 3.633 1.552 1.00 10.23 C ATOM 96 C GLU A 7 -7.007 2.501 2.135 1.00 10.22 C ATOM 97 O GLU A 7 -6.009 2.082 1.543 1.00 45.55 O ATOM 98 CB GLU A 7 -7.889 4.834 2.529 1.00 50.51 C ATOM 99 CG GLU A 7 -7.727 6.213 1.860 1.00 45.23 C ATOM 100 CD GLU A 7 -8.386 7.328 2.685 1.00 30.10 C ATOM 101 OE1 GLU A 7 -7.995 7.548 3.853 1.00 3.10 O ATOM 102 OE2 GLU A 7 -9.309 8.014 2.176 1.00 31.10 O ATOM 0 H GLU A 7 -9.967 3.764 1.638 1.00 71.21 H new ATOM 0 HA GLU A 7 -7.413 3.956 0.613 1.00 10.23 H new ATOM 0 HB2 GLU A 7 -8.832 4.819 3.075 1.00 50.51 H new ATOM 0 HB3 GLU A 7 -7.093 4.706 3.263 1.00 50.51 H new ATOM 0 HG2 GLU A 7 -6.667 6.433 1.733 1.00 45.23 H new ATOM 0 HG3 GLU A 7 -8.169 6.188 0.864 1.00 45.23 H new ATOM 109 N ALA A 8 -7.443 1.930 3.262 1.00 34.04 N ATOM 110 CA ALA A 8 -6.656 0.912 3.944 1.00 43.44 C ATOM 111 C ALA A 8 -6.454 -0.336 3.072 1.00 14.20 C ATOM 112 O ALA A 8 -5.365 -0.905 3.077 1.00 42.13 O ATOM 113 CB ALA A 8 -7.291 0.580 5.292 1.00 1.52 C ATOM 0 H ALA A 8 -8.329 2.156 3.714 1.00 34.04 H new ATOM 0 HA ALA A 8 -5.659 1.312 4.129 1.00 43.44 H new ATOM 0 HB1 ALA A 8 -6.697 -0.182 5.796 1.00 1.52 H new ATOM 0 HB2 ALA A 8 -7.327 1.478 5.908 1.00 1.52 H new ATOM 0 HB3 ALA A 8 -8.303 0.206 5.135 1.00 1.52 H new ATOM 119 N ARG A 9 -7.455 -0.770 2.291 1.00 23.03 N ATOM 120 CA ARG A 9 -7.296 -1.945 1.421 1.00 52.53 C ATOM 121 C ARG A 9 -6.291 -1.670 0.298 1.00 71.31 C ATOM 122 O ARG A 9 -5.553 -2.581 -0.080 1.00 32.23 O ATOM 123 CB ARG A 9 -8.670 -2.414 0.900 1.00 31.21 C ATOM 124 CG ARG A 9 -8.699 -3.773 0.162 1.00 10.42 C ATOM 125 CD ARG A 9 -7.954 -4.918 0.880 1.00 53.34 C ATOM 126 NE ARG A 9 -8.508 -6.252 0.582 1.00 63.13 N ATOM 127 CZ ARG A 9 -9.435 -6.933 1.282 1.00 63.24 C ATOM 128 NH1 ARG A 9 -10.017 -6.384 2.335 1.00 13.11 N ATOM 129 NH2 ARG A 9 -9.757 -8.175 0.932 1.00 54.34 N ATOM 0 H ARG A 9 -8.374 -0.330 2.244 1.00 23.03 H new ATOM 0 HA ARG A 9 -6.879 -2.766 2.004 1.00 52.53 H new ATOM 0 HB2 ARG A 9 -9.355 -2.470 1.746 1.00 31.21 H new ATOM 0 HB3 ARG A 9 -9.058 -1.651 0.226 1.00 31.21 H new ATOM 0 HG2 ARG A 9 -9.738 -4.069 0.017 1.00 10.42 H new ATOM 0 HG3 ARG A 9 -8.264 -3.641 -0.829 1.00 10.42 H new ATOM 0 HD2 ARG A 9 -6.903 -4.896 0.591 1.00 53.34 H new ATOM 0 HD3 ARG A 9 -7.992 -4.748 1.956 1.00 53.34 H new ATOM 0 HE ARG A 9 -8.146 -6.713 -0.253 1.00 63.13 H new ATOM 0 HH11 ARG A 9 -9.765 -5.438 2.622 1.00 13.11 H new ATOM 0 HH12 ARG A 9 -10.718 -6.906 2.860 1.00 13.11 H new ATOM 0 HH21 ARG A 9 -9.301 -8.614 0.132 1.00 54.34 H new ATOM 0 HH22 ARG A 9 -10.460 -8.689 1.464 1.00 54.34 H new ATOM 143 N ARG A 10 -6.206 -0.433 -0.208 1.00 32.40 N ATOM 144 CA ARG A 10 -5.175 0.018 -1.150 1.00 70.25 C ATOM 145 C ARG A 10 -3.811 -0.201 -0.514 1.00 50.55 C ATOM 146 O ARG A 10 -3.001 -0.937 -1.075 1.00 71.41 O ATOM 147 CB ARG A 10 -5.431 1.492 -1.520 1.00 1.42 C ATOM 148 CG ARG A 10 -4.963 1.849 -2.939 1.00 31.12 C ATOM 149 CD ARG A 10 -4.826 3.364 -3.085 1.00 73.25 C ATOM 150 NE ARG A 10 -6.100 4.089 -2.903 1.00 44.23 N ATOM 151 CZ ARG A 10 -6.195 5.337 -2.422 1.00 25.32 C ATOM 152 NH1 ARG A 10 -5.262 5.858 -1.636 1.00 72.42 N ATOM 153 NH2 ARG A 10 -7.241 6.069 -2.762 1.00 21.31 N ATOM 0 H ARG A 10 -6.871 0.302 0.034 1.00 32.40 H new ATOM 0 HA ARG A 10 -5.207 -0.553 -2.078 1.00 70.25 H new ATOM 0 HB2 ARG A 10 -6.497 1.702 -1.432 1.00 1.42 H new ATOM 0 HB3 ARG A 10 -4.919 2.134 -0.803 1.00 1.42 H new ATOM 0 HG2 ARG A 10 -4.007 1.369 -3.146 1.00 31.12 H new ATOM 0 HG3 ARG A 10 -5.676 1.469 -3.671 1.00 31.12 H new ATOM 0 HD2 ARG A 10 -4.102 3.728 -2.356 1.00 73.25 H new ATOM 0 HD3 ARG A 10 -4.425 3.592 -4.073 1.00 73.25 H new ATOM 0 HE ARG A 10 -6.963 3.609 -3.160 1.00 44.23 H new ATOM 0 HH11 ARG A 10 -4.443 5.306 -1.381 1.00 72.42 H new ATOM 0 HH12 ARG A 10 -5.364 6.811 -1.286 1.00 72.42 H new ATOM 0 HH21 ARG A 10 -7.956 5.682 -3.379 1.00 21.31 H new ATOM 0 HH22 ARG A 10 -7.334 7.021 -2.408 1.00 21.31 H new ATOM 167 N ASN A 11 -3.549 0.390 0.654 1.00 53.14 N ATOM 168 CA ASN A 11 -2.224 0.257 1.254 1.00 2.10 C ATOM 169 C ASN A 11 -1.927 -1.186 1.655 1.00 14.21 C ATOM 170 O ASN A 11 -0.801 -1.629 1.480 1.00 4.54 O ATOM 171 CB ASN A 11 -2.014 1.209 2.435 1.00 13.41 C ATOM 172 CG ASN A 11 -1.814 2.648 1.978 1.00 1.54 C ATOM 173 OD1 ASN A 11 -1.183 2.909 0.959 1.00 62.44 O ATOM 174 ND2 ASN A 11 -2.386 3.610 2.665 1.00 1.14 N ATOM 0 H ASN A 11 -4.215 0.948 1.188 1.00 53.14 H new ATOM 0 HA ASN A 11 -1.511 0.545 0.482 1.00 2.10 H new ATOM 0 HB2 ASN A 11 -2.875 1.156 3.101 1.00 13.41 H new ATOM 0 HB3 ASN A 11 -1.146 0.887 3.010 1.00 13.41 H new ATOM 0 HD21 ASN A 11 -2.306 4.577 2.352 1.00 1.14 H new ATOM 0 HD22 ASN A 11 -2.910 3.390 3.512 1.00 1.14 H new ATOM 181 N LYS A 12 -2.911 -1.958 2.131 1.00 41.51 N ATOM 182 CA LYS A 12 -2.722 -3.366 2.488 1.00 31.42 C ATOM 183 C LYS A 12 -2.184 -4.154 1.295 1.00 51.51 C ATOM 184 O LYS A 12 -1.130 -4.779 1.383 1.00 33.34 O ATOM 185 CB LYS A 12 -4.046 -3.943 3.019 1.00 73.22 C ATOM 186 CG LYS A 12 -3.887 -5.381 3.530 1.00 74.41 C ATOM 187 CD LYS A 12 -5.164 -5.861 4.231 1.00 14.23 C ATOM 188 CE LYS A 12 -4.869 -7.183 4.944 1.00 13.10 C ATOM 189 NZ LYS A 12 -5.879 -7.514 5.963 1.00 51.11 N ATOM 0 H LYS A 12 -3.862 -1.622 2.279 1.00 41.51 H new ATOM 0 HA LYS A 12 -1.979 -3.448 3.281 1.00 31.42 H new ATOM 0 HB2 LYS A 12 -4.418 -3.311 3.826 1.00 73.22 H new ATOM 0 HB3 LYS A 12 -4.794 -3.921 2.226 1.00 73.22 H new ATOM 0 HG2 LYS A 12 -3.655 -6.043 2.696 1.00 74.41 H new ATOM 0 HG3 LYS A 12 -3.047 -5.434 4.222 1.00 74.41 H new ATOM 0 HD2 LYS A 12 -5.505 -5.114 4.948 1.00 14.23 H new ATOM 0 HD3 LYS A 12 -5.966 -5.995 3.505 1.00 14.23 H new ATOM 0 HE2 LYS A 12 -4.824 -7.986 4.208 1.00 13.10 H new ATOM 0 HE3 LYS A 12 -3.888 -7.126 5.415 1.00 13.10 H new ATOM 0 HZ1 LYS A 12 -5.633 -8.417 6.415 1.00 51.11 H new ATOM 0 HZ2 LYS A 12 -5.906 -6.763 6.682 1.00 51.11 H new ATOM 0 HZ3 LYS A 12 -6.813 -7.596 5.512 1.00 51.11 H new ATOM 203 N LEU A 13 -2.893 -4.083 0.165 1.00 21.14 N ATOM 204 CA LEU A 13 -2.489 -4.727 -1.079 1.00 42.53 C ATOM 205 C LEU A 13 -1.094 -4.247 -1.515 1.00 1.30 C ATOM 206 O LEU A 13 -0.287 -5.071 -1.949 1.00 53.23 O ATOM 207 CB LEU A 13 -3.541 -4.461 -2.165 1.00 13.10 C ATOM 208 CG LEU A 13 -4.817 -5.309 -2.109 1.00 51.31 C ATOM 209 CD1 LEU A 13 -5.709 -4.884 -3.281 1.00 70.34 C ATOM 210 CD2 LEU A 13 -4.522 -6.799 -2.226 1.00 32.41 C ATOM 0 H LEU A 13 -3.772 -3.571 0.092 1.00 21.14 H new ATOM 0 HA LEU A 13 -2.425 -5.803 -0.919 1.00 42.53 H new ATOM 0 HB2 LEU A 13 -3.828 -3.411 -2.111 1.00 13.10 H new ATOM 0 HB3 LEU A 13 -3.073 -4.614 -3.137 1.00 13.10 H new ATOM 0 HG LEU A 13 -5.304 -5.147 -1.147 1.00 51.31 H new ATOM 0 HD11 LEU A 13 -6.628 -5.470 -3.270 1.00 70.34 H new ATOM 0 HD12 LEU A 13 -5.952 -3.826 -3.188 1.00 70.34 H new ATOM 0 HD13 LEU A 13 -5.182 -5.054 -4.220 1.00 70.34 H new ATOM 0 HD21 LEU A 13 -5.456 -7.359 -2.181 1.00 32.41 H new ATOM 0 HD22 LEU A 13 -4.024 -6.998 -3.175 1.00 32.41 H new ATOM 0 HD23 LEU A 13 -3.874 -7.107 -1.405 1.00 32.41 H new ATOM 222 N MET A 14 -0.772 -2.950 -1.387 1.00 62.45 N ATOM 223 CA MET A 14 0.563 -2.440 -1.683 1.00 21.50 C ATOM 224 C MET A 14 1.613 -3.099 -0.791 1.00 71.13 C ATOM 225 O MET A 14 2.588 -3.647 -1.299 1.00 11.44 O ATOM 226 CB MET A 14 0.571 -0.913 -1.549 1.00 44.42 C ATOM 227 CG MET A 14 1.948 -0.261 -1.726 1.00 10.00 C ATOM 228 SD MET A 14 2.823 -0.659 -3.263 1.00 73.53 S ATOM 229 CE MET A 14 4.005 0.696 -3.265 1.00 4.11 C ATOM 0 H MET A 14 -1.430 -2.235 -1.077 1.00 62.45 H new ATOM 0 HA MET A 14 0.824 -2.693 -2.711 1.00 21.50 H new ATOM 0 HB2 MET A 14 -0.112 -0.494 -2.288 1.00 44.42 H new ATOM 0 HB3 MET A 14 0.181 -0.646 -0.567 1.00 44.42 H new ATOM 0 HG2 MET A 14 1.826 0.821 -1.670 1.00 10.00 H new ATOM 0 HG3 MET A 14 2.578 -0.554 -0.886 1.00 10.00 H new ATOM 0 HE1 MET A 14 4.390 0.841 -4.274 1.00 4.11 H new ATOM 0 HE2 MET A 14 3.513 1.609 -2.930 1.00 4.11 H new ATOM 0 HE3 MET A 14 4.830 0.460 -2.592 1.00 4.11 H new ATOM 239 N GLY A 15 1.424 -3.097 0.532 1.00 24.20 N ATOM 240 CA GLY A 15 2.437 -3.612 1.442 1.00 11.31 C ATOM 241 C GLY A 15 2.690 -5.097 1.242 1.00 41.23 C ATOM 242 O GLY A 15 3.809 -5.534 1.480 1.00 61.52 O ATOM 0 H GLY A 15 0.583 -2.746 0.989 1.00 24.20 H new ATOM 0 HA2 GLY A 15 3.368 -3.064 1.294 1.00 11.31 H new ATOM 0 HA3 GLY A 15 2.122 -3.434 2.470 1.00 11.31 H new ATOM 246 N LEU A 16 1.711 -5.880 0.782 1.00 14.23 N ATOM 247 CA LEU A 16 1.941 -7.271 0.406 1.00 33.51 C ATOM 248 C LEU A 16 3.019 -7.345 -0.679 1.00 70.12 C ATOM 249 O LEU A 16 3.975 -8.100 -0.520 1.00 1.40 O ATOM 250 CB LEU A 16 0.624 -7.916 -0.051 1.00 74.54 C ATOM 251 CG LEU A 16 -0.258 -8.393 1.117 1.00 24.42 C ATOM 252 CD1 LEU A 16 -1.699 -8.582 0.633 1.00 50.11 C ATOM 253 CD2 LEU A 16 0.262 -9.711 1.701 1.00 24.12 C ATOM 0 H LEU A 16 0.747 -5.569 0.662 1.00 14.23 H new ATOM 0 HA LEU A 16 2.300 -7.831 1.270 1.00 33.51 H new ATOM 0 HB2 LEU A 16 0.064 -7.198 -0.650 1.00 74.54 H new ATOM 0 HB3 LEU A 16 0.848 -8.764 -0.698 1.00 74.54 H new ATOM 0 HG LEU A 16 -0.226 -7.634 1.899 1.00 24.42 H new ATOM 0 HD11 LEU A 16 -2.320 -8.920 1.463 1.00 50.11 H new ATOM 0 HD12 LEU A 16 -2.083 -7.635 0.254 1.00 50.11 H new ATOM 0 HD13 LEU A 16 -1.721 -9.326 -0.163 1.00 50.11 H new ATOM 0 HD21 LEU A 16 -0.381 -10.023 2.524 1.00 24.12 H new ATOM 0 HD22 LEU A 16 0.259 -10.478 0.927 1.00 24.12 H new ATOM 0 HD23 LEU A 16 1.279 -9.570 2.068 1.00 24.12 H new ATOM 265 N TRP A 17 2.911 -6.534 -1.740 1.00 32.24 N ATOM 266 CA TRP A 17 3.941 -6.451 -2.774 1.00 23.43 C ATOM 267 C TRP A 17 5.262 -5.944 -2.192 1.00 51.05 C ATOM 268 O TRP A 17 6.305 -6.520 -2.469 1.00 64.51 O ATOM 269 CB TRP A 17 3.495 -5.547 -3.932 1.00 10.40 C ATOM 270 CG TRP A 17 4.535 -5.356 -4.998 1.00 2.23 C ATOM 271 CD1 TRP A 17 5.008 -6.322 -5.813 1.00 53.21 C ATOM 272 CD2 TRP A 17 5.298 -4.160 -5.342 1.00 63.41 C ATOM 273 NE1 TRP A 17 5.988 -5.820 -6.640 1.00 74.32 N ATOM 274 CE2 TRP A 17 6.159 -4.467 -6.438 1.00 13.01 C ATOM 275 CE3 TRP A 17 5.332 -2.837 -4.856 1.00 70.25 C ATOM 276 CZ2 TRP A 17 6.951 -3.488 -7.056 1.00 12.01 C ATOM 277 CZ3 TRP A 17 6.095 -1.840 -5.493 1.00 50.35 C ATOM 278 CH2 TRP A 17 6.907 -2.165 -6.593 1.00 45.02 C ATOM 0 H TRP A 17 2.111 -5.922 -1.902 1.00 32.24 H new ATOM 0 HA TRP A 17 4.095 -7.458 -3.163 1.00 23.43 H new ATOM 0 HB2 TRP A 17 2.599 -5.971 -4.386 1.00 10.40 H new ATOM 0 HB3 TRP A 17 3.218 -4.572 -3.531 1.00 10.40 H new ATOM 0 HD1 TRP A 17 4.666 -7.346 -5.816 1.00 53.21 H new ATOM 0 HE1 TRP A 17 6.517 -6.375 -7.312 1.00 74.32 H new ATOM 0 HE3 TRP A 17 4.760 -2.583 -3.976 1.00 70.25 H new ATOM 0 HZ2 TRP A 17 7.592 -3.752 -7.884 1.00 12.01 H new ATOM 0 HZ3 TRP A 17 6.056 -0.822 -5.135 1.00 50.35 H new ATOM 0 HH2 TRP A 17 7.494 -1.400 -7.079 1.00 45.02 H new ATOM 289 N VAL A 18 5.246 -4.871 -1.399 1.00 61.32 N ATOM 290 CA VAL A 18 6.472 -4.261 -0.882 1.00 32.30 C ATOM 291 C VAL A 18 7.230 -5.252 0.009 1.00 13.04 C ATOM 292 O VAL A 18 8.439 -5.407 -0.137 1.00 5.10 O ATOM 293 CB VAL A 18 6.145 -2.937 -0.173 1.00 41.21 C ATOM 294 CG1 VAL A 18 7.386 -2.264 0.420 1.00 70.51 C ATOM 295 CG2 VAL A 18 5.473 -1.919 -1.106 1.00 70.25 C ATOM 0 H VAL A 18 4.390 -4.404 -1.099 1.00 61.32 H new ATOM 0 HA VAL A 18 7.139 -4.019 -1.709 1.00 32.30 H new ATOM 0 HB VAL A 18 5.459 -3.219 0.625 1.00 41.21 H new ATOM 0 HG11 VAL A 18 7.097 -1.333 0.908 1.00 70.51 H new ATOM 0 HG12 VAL A 18 7.847 -2.929 1.150 1.00 70.51 H new ATOM 0 HG13 VAL A 18 8.099 -2.050 -0.376 1.00 70.51 H new ATOM 0 HG21 VAL A 18 5.264 -1.002 -0.554 1.00 70.25 H new ATOM 0 HG22 VAL A 18 6.138 -1.696 -1.941 1.00 70.25 H new ATOM 0 HG23 VAL A 18 4.540 -2.335 -1.486 1.00 70.25 H new ATOM 305 N ALA A 19 6.532 -5.963 0.897 1.00 21.23 N ATOM 306 CA ALA A 19 7.098 -7.041 1.695 1.00 24.42 C ATOM 307 C ALA A 19 7.696 -8.143 0.807 1.00 43.45 C ATOM 308 O ALA A 19 8.831 -8.560 1.030 1.00 2.32 O ATOM 309 CB ALA A 19 6.013 -7.591 2.623 1.00 22.30 C ATOM 0 H ALA A 19 5.542 -5.800 1.081 1.00 21.23 H new ATOM 0 HA ALA A 19 7.919 -6.652 2.297 1.00 24.42 H new ATOM 0 HB1 ALA A 19 6.426 -8.400 3.226 1.00 22.30 H new ATOM 0 HB2 ALA A 19 5.657 -6.796 3.278 1.00 22.30 H new ATOM 0 HB3 ALA A 19 5.183 -7.970 2.027 1.00 22.30 H new ATOM 315 N GLU A 20 6.958 -8.601 -0.207 1.00 5.44 N ATOM 316 CA GLU A 20 7.415 -9.602 -1.168 1.00 24.31 C ATOM 317 C GLU A 20 8.702 -9.145 -1.857 1.00 11.01 C ATOM 318 O GLU A 20 9.668 -9.905 -1.897 1.00 22.53 O ATOM 319 CB GLU A 20 6.268 -9.893 -2.150 1.00 11.32 C ATOM 320 CG GLU A 20 6.650 -10.574 -3.472 1.00 42.44 C ATOM 321 CD GLU A 20 5.450 -10.666 -4.420 1.00 52.04 C ATOM 322 OE1 GLU A 20 4.628 -11.597 -4.250 1.00 3.43 O ATOM 323 OE2 GLU A 20 5.325 -9.819 -5.343 1.00 13.04 O ATOM 0 H GLU A 20 6.007 -8.278 -0.385 1.00 5.44 H new ATOM 0 HA GLU A 20 7.670 -10.533 -0.663 1.00 24.31 H new ATOM 0 HB2 GLU A 20 5.536 -10.521 -1.642 1.00 11.32 H new ATOM 0 HB3 GLU A 20 5.772 -8.951 -2.383 1.00 11.32 H new ATOM 0 HG2 GLU A 20 7.453 -10.015 -3.952 1.00 42.44 H new ATOM 0 HG3 GLU A 20 7.034 -11.574 -3.270 1.00 42.44 H new ATOM 330 N VAL A 21 8.740 -7.911 -2.361 1.00 45.33 N ATOM 331 CA VAL A 21 9.926 -7.274 -2.923 1.00 21.35 C ATOM 332 C VAL A 21 11.062 -7.276 -1.903 1.00 1.03 C ATOM 333 O VAL A 21 12.187 -7.643 -2.247 1.00 23.42 O ATOM 334 CB VAL A 21 9.558 -5.854 -3.408 1.00 31.22 C ATOM 335 CG1 VAL A 21 10.791 -4.973 -3.650 1.00 74.51 C ATOM 336 CG2 VAL A 21 8.750 -5.930 -4.712 1.00 11.11 C ATOM 0 H VAL A 21 7.917 -7.309 -2.389 1.00 45.33 H new ATOM 0 HA VAL A 21 10.284 -7.835 -3.786 1.00 21.35 H new ATOM 0 HB VAL A 21 8.966 -5.401 -2.613 1.00 31.22 H new ATOM 0 HG11 VAL A 21 10.473 -3.987 -3.989 1.00 74.51 H new ATOM 0 HG12 VAL A 21 11.355 -4.873 -2.722 1.00 74.51 H new ATOM 0 HG13 VAL A 21 11.423 -5.432 -4.411 1.00 74.51 H new ATOM 0 HG21 VAL A 21 8.497 -4.923 -5.043 1.00 11.11 H new ATOM 0 HG22 VAL A 21 9.344 -6.426 -5.480 1.00 11.11 H new ATOM 0 HG23 VAL A 21 7.834 -6.496 -4.540 1.00 11.11 H new ATOM 346 N LEU A 22 10.790 -6.881 -0.657 1.00 65.11 N ATOM 347 CA LEU A 22 11.787 -6.874 0.403 1.00 73.20 C ATOM 348 C LEU A 22 12.371 -8.261 0.640 1.00 11.34 C ATOM 349 O LEU A 22 13.521 -8.313 1.067 1.00 71.43 O ATOM 350 CB LEU A 22 11.220 -6.295 1.711 1.00 42.20 C ATOM 351 CG LEU A 22 11.309 -4.761 1.774 1.00 21.43 C ATOM 352 CD1 LEU A 22 10.408 -4.251 2.901 1.00 51.23 C ATOM 353 CD2 LEU A 22 12.753 -4.300 2.017 1.00 43.41 C ATOM 0 H LEU A 22 9.869 -6.558 -0.360 1.00 65.11 H new ATOM 0 HA LEU A 22 12.596 -6.224 0.069 1.00 73.20 H new ATOM 0 HB2 LEU A 22 10.178 -6.598 1.815 1.00 42.20 H new ATOM 0 HB3 LEU A 22 11.762 -6.720 2.556 1.00 42.20 H new ATOM 0 HG LEU A 22 10.980 -4.354 0.818 1.00 21.43 H new ATOM 0 HD11 LEU A 22 10.467 -3.164 2.950 1.00 51.23 H new ATOM 0 HD12 LEU A 22 9.378 -4.550 2.707 1.00 51.23 H new ATOM 0 HD13 LEU A 22 10.736 -4.676 3.850 1.00 51.23 H new ATOM 0 HD21 LEU A 22 12.786 -3.211 2.057 1.00 43.41 H new ATOM 0 HD22 LEU A 22 13.111 -4.709 2.962 1.00 43.41 H new ATOM 0 HD23 LEU A 22 13.389 -4.652 1.205 1.00 43.41 H new ATOM 365 N GLY A 23 11.645 -9.341 0.333 1.00 51.34 N ATOM 366 CA GLY A 23 12.073 -10.700 0.630 1.00 42.42 C ATOM 367 C GLY A 23 11.475 -11.194 1.945 1.00 74.22 C ATOM 368 O GLY A 23 11.826 -12.286 2.402 1.00 14.45 O ATOM 0 H GLY A 23 10.738 -9.290 -0.132 1.00 51.34 H new ATOM 0 HA2 GLY A 23 11.773 -11.364 -0.181 1.00 42.42 H new ATOM 0 HA3 GLY A 23 13.161 -10.737 0.686 1.00 42.42 H new ATOM 372 N LYS A 24 10.555 -10.431 2.550 1.00 64.22 N ATOM 373 CA LYS A 24 9.642 -10.973 3.546 1.00 51.03 C ATOM 374 C LYS A 24 8.718 -11.942 2.822 1.00 34.13 C ATOM 375 O LYS A 24 8.449 -11.779 1.630 1.00 34.44 O ATOM 376 CB LYS A 24 8.793 -9.855 4.158 1.00 64.34 C ATOM 377 CG LYS A 24 9.587 -8.879 5.030 1.00 64.53 C ATOM 378 CD LYS A 24 8.657 -7.837 5.673 1.00 43.34 C ATOM 379 CE LYS A 24 9.208 -7.279 6.996 1.00 31.12 C ATOM 380 NZ LYS A 24 10.617 -6.831 6.943 1.00 22.52 N ATOM 0 H LYS A 24 10.429 -9.436 2.362 1.00 64.22 H new ATOM 0 HA LYS A 24 10.202 -11.461 4.343 1.00 51.03 H new ATOM 0 HB2 LYS A 24 8.309 -9.299 3.355 1.00 64.34 H new ATOM 0 HB3 LYS A 24 8.001 -10.301 4.759 1.00 64.34 H new ATOM 0 HG2 LYS A 24 10.117 -9.429 5.808 1.00 64.53 H new ATOM 0 HG3 LYS A 24 10.341 -8.375 4.425 1.00 64.53 H new ATOM 0 HD2 LYS A 24 8.502 -7.015 4.974 1.00 43.34 H new ATOM 0 HD3 LYS A 24 7.682 -8.290 5.853 1.00 43.34 H new ATOM 0 HE2 LYS A 24 8.586 -6.439 7.307 1.00 31.12 H new ATOM 0 HE3 LYS A 24 9.114 -8.046 7.764 1.00 31.12 H new ATOM 0 HZ1 LYS A 24 10.877 -6.394 7.850 1.00 22.52 H new ATOM 0 HZ2 LYS A 24 11.235 -7.648 6.763 1.00 22.52 H new ATOM 0 HZ3 LYS A 24 10.732 -6.135 6.178 1.00 22.52 H new ATOM 394 N SER A 25 8.176 -12.914 3.543 1.00 43.02 N ATOM 395 CA SER A 25 7.171 -13.868 3.078 1.00 2.35 C ATOM 396 C SER A 25 6.696 -14.633 4.314 1.00 72.50 C ATOM 397 O SER A 25 7.219 -14.422 5.418 1.00 53.10 O ATOM 398 CB SER A 25 7.745 -14.805 1.999 1.00 3.03 C ATOM 399 OG SER A 25 7.823 -14.136 0.753 1.00 53.41 O ATOM 0 H SER A 25 8.436 -13.069 4.517 1.00 43.02 H new ATOM 0 HA SER A 25 6.333 -13.358 2.602 1.00 2.35 H new ATOM 0 HB2 SER A 25 8.736 -15.149 2.297 1.00 3.03 H new ATOM 0 HB3 SER A 25 7.116 -15.690 1.905 1.00 3.03 H new ATOM 0 HG SER A 25 7.834 -13.167 0.902 1.00 53.41 H new ATOM 405 N GLY A 26 5.701 -15.505 4.172 1.00 25.44 N ATOM 406 CA GLY A 26 4.954 -15.964 5.328 1.00 71.33 C ATOM 407 C GLY A 26 4.294 -14.751 5.985 1.00 73.12 C ATOM 408 O GLY A 26 3.951 -13.771 5.316 1.00 12.14 O ATOM 0 H GLY A 26 5.401 -15.900 3.281 1.00 25.44 H new ATOM 0 HA2 GLY A 26 4.199 -16.691 5.028 1.00 71.33 H new ATOM 0 HA3 GLY A 26 5.617 -16.465 6.034 1.00 71.33 H new ATOM 412 N ASP A 27 4.086 -14.821 7.291 1.00 41.52 N ATOM 413 CA ASP A 27 3.270 -13.857 8.021 1.00 3.52 C ATOM 414 C ASP A 27 3.975 -12.530 8.291 1.00 54.15 C ATOM 415 O ASP A 27 3.343 -11.522 8.592 1.00 53.43 O ATOM 416 CB ASP A 27 2.805 -14.487 9.317 1.00 12.52 C ATOM 417 CG ASP A 27 1.416 -15.080 9.122 1.00 61.41 C ATOM 418 OD1 ASP A 27 0.448 -14.327 8.883 1.00 3.51 O ATOM 419 OD2 ASP A 27 1.293 -16.324 9.052 1.00 51.52 O ATOM 0 H ASP A 27 4.481 -15.554 7.881 1.00 41.52 H new ATOM 0 HA ASP A 27 2.419 -13.609 7.387 1.00 3.52 H new ATOM 0 HB2 ASP A 27 3.504 -15.264 9.628 1.00 12.52 H new ATOM 0 HB3 ASP A 27 2.785 -13.740 10.111 1.00 12.52 H new ATOM 424 N GLU A 28 5.291 -12.491 8.157 1.00 64.01 N ATOM 425 CA GLU A 28 6.106 -11.288 8.017 1.00 24.30 C ATOM 426 C GLU A 28 5.482 -10.350 6.972 1.00 30.21 C ATOM 427 O GLU A 28 5.371 -9.144 7.196 1.00 1.22 O ATOM 428 CB GLU A 28 7.516 -11.737 7.593 1.00 2.03 C ATOM 429 CG GLU A 28 8.565 -11.671 8.700 1.00 51.33 C ATOM 430 CD GLU A 28 9.165 -10.273 8.858 1.00 44.41 C ATOM 431 OE1 GLU A 28 8.627 -9.417 9.591 1.00 74.34 O ATOM 432 OE2 GLU A 28 10.232 -10.003 8.256 1.00 33.25 O ATOM 0 H GLU A 28 5.853 -13.342 8.142 1.00 64.01 H new ATOM 0 HA GLU A 28 6.159 -10.736 8.956 1.00 24.30 H new ATOM 0 HB2 GLU A 28 7.461 -12.761 7.224 1.00 2.03 H new ATOM 0 HB3 GLU A 28 7.846 -11.115 6.761 1.00 2.03 H new ATOM 0 HG2 GLU A 28 8.112 -11.977 9.643 1.00 51.33 H new ATOM 0 HG3 GLU A 28 9.362 -12.382 8.483 1.00 51.33 H new ATOM 439 N ALA A 29 5.017 -10.905 5.846 1.00 13.43 N ATOM 440 CA ALA A 29 4.358 -10.144 4.793 1.00 53.15 C ATOM 441 C ALA A 29 2.879 -9.847 5.104 1.00 62.44 C ATOM 442 O ALA A 29 2.229 -9.178 4.306 1.00 62.21 O ATOM 443 CB ALA A 29 4.504 -10.883 3.457 1.00 14.34 C ATOM 0 H ALA A 29 5.091 -11.902 5.645 1.00 13.43 H new ATOM 0 HA ALA A 29 4.851 -9.174 4.729 1.00 53.15 H new ATOM 0 HB1 ALA A 29 4.011 -10.313 2.670 1.00 14.34 H new ATOM 0 HB2 ALA A 29 5.561 -10.994 3.216 1.00 14.34 H new ATOM 0 HB3 ALA A 29 4.044 -11.868 3.534 1.00 14.34 H new ATOM 449 N ASN A 30 2.329 -10.292 6.238 1.00 5.53 N ATOM 450 CA ASN A 30 1.027 -9.838 6.739 1.00 65.03 C ATOM 451 C ASN A 30 1.204 -8.754 7.798 1.00 1.50 C ATOM 452 O ASN A 30 0.345 -7.883 7.948 1.00 31.22 O ATOM 453 CB ASN A 30 0.211 -10.989 7.357 1.00 30.13 C ATOM 454 CG ASN A 30 -0.496 -11.844 6.316 1.00 51.21 C ATOM 455 OD1 ASN A 30 -1.085 -11.326 5.380 1.00 62.24 O ATOM 456 ND2 ASN A 30 -0.456 -13.159 6.488 1.00 55.15 N ATOM 0 H ASN A 30 2.778 -10.983 6.839 1.00 5.53 H new ATOM 0 HA ASN A 30 0.486 -9.443 5.879 1.00 65.03 H new ATOM 0 HB2 ASN A 30 0.874 -11.621 7.948 1.00 30.13 H new ATOM 0 HB3 ASN A 30 -0.529 -10.575 8.042 1.00 30.13 H new ATOM 0 HD21 ASN A 30 -0.928 -13.775 5.826 1.00 55.15 H new ATOM 0 HD22 ASN A 30 0.047 -13.554 7.283 1.00 55.15 H new ATOM 463 N ALA A 31 2.307 -8.810 8.554 1.00 74.04 N ATOM 464 CA ALA A 31 2.668 -7.826 9.564 1.00 34.33 C ATOM 465 C ALA A 31 3.040 -6.504 8.900 1.00 63.04 C ATOM 466 O ALA A 31 2.477 -5.464 9.251 1.00 64.02 O ATOM 467 CB ALA A 31 3.834 -8.356 10.404 1.00 21.01 C ATOM 0 H ALA A 31 2.988 -9.565 8.472 1.00 74.04 H new ATOM 0 HA ALA A 31 1.814 -7.651 10.219 1.00 34.33 H new ATOM 0 HB1 ALA A 31 4.103 -7.618 11.160 1.00 21.01 H new ATOM 0 HB2 ALA A 31 3.538 -9.284 10.893 1.00 21.01 H new ATOM 0 HB3 ALA A 31 4.692 -8.543 9.758 1.00 21.01 H new ATOM 473 N TYR A 32 3.936 -6.560 7.904 1.00 1.50 N ATOM 474 CA TYR A 32 4.428 -5.393 7.181 1.00 42.52 C ATOM 475 C TYR A 32 3.254 -4.560 6.663 1.00 1.23 C ATOM 476 O TYR A 32 3.257 -3.332 6.798 1.00 73.13 O ATOM 477 CB TYR A 32 5.366 -5.845 6.047 1.00 53.24 C ATOM 478 CG TYR A 32 5.841 -4.719 5.140 1.00 62.21 C ATOM 479 CD1 TYR A 32 4.977 -4.133 4.189 1.00 70.22 C ATOM 480 CD2 TYR A 32 7.135 -4.198 5.300 1.00 32.34 C ATOM 481 CE1 TYR A 32 5.340 -2.963 3.500 1.00 23.54 C ATOM 482 CE2 TYR A 32 7.530 -3.068 4.573 1.00 43.32 C ATOM 483 CZ TYR A 32 6.613 -2.402 3.731 1.00 25.11 C ATOM 484 OH TYR A 32 6.882 -1.136 3.325 1.00 32.52 O ATOM 0 H TYR A 32 4.342 -7.437 7.577 1.00 1.50 H new ATOM 0 HA TYR A 32 5.003 -4.756 7.853 1.00 42.52 H new ATOM 0 HB2 TYR A 32 6.236 -6.335 6.485 1.00 53.24 H new ATOM 0 HB3 TYR A 32 4.851 -6.591 5.441 1.00 53.24 H new ATOM 0 HD1 TYR A 32 4.020 -4.592 3.988 1.00 70.22 H new ATOM 0 HD2 TYR A 32 7.826 -4.669 5.984 1.00 32.34 H new ATOM 0 HE1 TYR A 32 4.655 -2.501 2.805 1.00 23.54 H new ATOM 0 HE2 TYR A 32 8.543 -2.704 4.657 1.00 43.32 H new ATOM 0 HH TYR A 32 7.145 -0.594 4.098 1.00 32.52 H new ATOM 494 N ALA A 33 2.233 -5.210 6.096 1.00 11.52 N ATOM 495 CA ALA A 33 1.102 -4.528 5.492 1.00 71.34 C ATOM 496 C ALA A 33 0.333 -3.676 6.501 1.00 11.24 C ATOM 497 O ALA A 33 -0.350 -2.749 6.085 1.00 4.10 O ATOM 498 CB ALA A 33 0.140 -5.537 4.847 1.00 53.14 C ATOM 0 H ALA A 33 2.175 -6.227 6.047 1.00 11.52 H new ATOM 0 HA ALA A 33 1.510 -3.866 4.728 1.00 71.34 H new ATOM 0 HB1 ALA A 33 -0.700 -5.005 4.401 1.00 53.14 H new ATOM 0 HB2 ALA A 33 0.666 -6.098 4.075 1.00 53.14 H new ATOM 0 HB3 ALA A 33 -0.229 -6.225 5.608 1.00 53.14 H new ATOM 504 N ALA A 34 0.411 -3.931 7.809 1.00 50.14 N ATOM 505 CA ALA A 34 -0.299 -3.080 8.750 1.00 22.34 C ATOM 506 C ALA A 34 0.393 -1.726 8.924 1.00 74.31 C ATOM 507 O ALA A 34 -0.301 -0.733 9.124 1.00 64.23 O ATOM 508 CB ALA A 34 -0.476 -3.799 10.076 1.00 24.04 C ATOM 0 H ALA A 34 0.942 -4.696 8.226 1.00 50.14 H new ATOM 0 HA ALA A 34 -1.288 -2.871 8.342 1.00 22.34 H new ATOM 0 HB1 ALA A 34 -1.009 -3.152 10.773 1.00 24.04 H new ATOM 0 HB2 ALA A 34 -1.048 -4.714 9.920 1.00 24.04 H new ATOM 0 HB3 ALA A 34 0.502 -4.048 10.488 1.00 24.04 H new ATOM 514 N GLU A 35 1.722 -1.639 8.820 1.00 41.52 N ATOM 515 CA GLU A 35 2.427 -0.364 8.942 1.00 44.45 C ATOM 516 C GLU A 35 2.115 0.557 7.772 1.00 50.53 C ATOM 517 O GLU A 35 1.771 1.715 7.981 1.00 2.23 O ATOM 518 CB GLU A 35 3.935 -0.571 9.002 1.00 21.20 C ATOM 519 CG GLU A 35 4.424 -1.035 10.361 1.00 14.51 C ATOM 520 CD GLU A 35 5.935 -0.880 10.527 1.00 71.31 C ATOM 521 OE1 GLU A 35 6.698 -0.908 9.532 1.00 12.50 O ATOM 522 OE2 GLU A 35 6.361 -0.792 11.705 1.00 50.13 O ATOM 0 H GLU A 35 2.331 -2.440 8.651 1.00 41.52 H new ATOM 0 HA GLU A 35 2.082 0.095 9.869 1.00 44.45 H new ATOM 0 HB2 GLU A 35 4.224 -1.305 8.250 1.00 21.20 H new ATOM 0 HB3 GLU A 35 4.433 0.363 8.744 1.00 21.20 H new ATOM 0 HG2 GLU A 35 3.917 -0.465 11.139 1.00 14.51 H new ATOM 0 HG3 GLU A 35 4.152 -2.081 10.503 1.00 14.51 H new ATOM 529 N VAL A 36 2.201 0.051 6.542 1.00 10.22 N ATOM 530 CA VAL A 36 1.883 0.810 5.337 1.00 34.10 C ATOM 531 C VAL A 36 0.427 1.297 5.349 1.00 12.44 C ATOM 532 O VAL A 36 0.092 2.269 4.682 1.00 2.30 O ATOM 533 CB VAL A 36 2.268 -0.062 4.126 1.00 31.31 C ATOM 534 CG1 VAL A 36 1.259 -1.112 3.789 1.00 13.24 C ATOM 535 CG2 VAL A 36 2.593 0.779 2.900 1.00 45.01 C ATOM 0 H VAL A 36 2.497 -0.907 6.354 1.00 10.22 H new ATOM 0 HA VAL A 36 2.460 1.733 5.280 1.00 34.10 H new ATOM 0 HB VAL A 36 3.170 -0.589 4.437 1.00 31.31 H new ATOM 0 HG11 VAL A 36 1.602 -1.683 2.926 1.00 13.24 H new ATOM 0 HG12 VAL A 36 1.132 -1.781 4.640 1.00 13.24 H new ATOM 0 HG13 VAL A 36 0.306 -0.639 3.554 1.00 13.24 H new ATOM 0 HG21 VAL A 36 2.859 0.125 2.070 1.00 45.01 H new ATOM 0 HG22 VAL A 36 1.723 1.376 2.627 1.00 45.01 H new ATOM 0 HG23 VAL A 36 3.430 1.440 3.124 1.00 45.01 H new ATOM 545 N VAL A 37 -0.447 0.662 6.123 1.00 23.23 N ATOM 546 CA VAL A 37 -1.822 1.086 6.323 1.00 52.53 C ATOM 547 C VAL A 37 -1.913 2.114 7.449 1.00 61.01 C ATOM 548 O VAL A 37 -2.761 3.004 7.408 1.00 13.22 O ATOM 549 CB VAL A 37 -2.632 -0.185 6.623 1.00 51.32 C ATOM 550 CG1 VAL A 37 -4.042 0.114 7.124 1.00 43.14 C ATOM 551 CG2 VAL A 37 -2.680 -1.115 5.406 1.00 23.40 C ATOM 0 H VAL A 37 -0.209 -0.184 6.641 1.00 23.23 H new ATOM 0 HA VAL A 37 -2.222 1.582 5.439 1.00 52.53 H new ATOM 0 HB VAL A 37 -2.108 -0.694 7.432 1.00 51.32 H new ATOM 0 HG11 VAL A 37 -4.565 -0.822 7.319 1.00 43.14 H new ATOM 0 HG12 VAL A 37 -3.985 0.696 8.044 1.00 43.14 H new ATOM 0 HG13 VAL A 37 -4.584 0.682 6.368 1.00 43.14 H new ATOM 0 HG21 VAL A 37 -3.260 -2.005 5.651 1.00 23.40 H new ATOM 0 HG22 VAL A 37 -3.148 -0.596 4.569 1.00 23.40 H new ATOM 0 HG23 VAL A 37 -1.666 -1.407 5.131 1.00 23.40 H new ATOM 561 N LYS A 38 -1.078 1.976 8.472 1.00 2.21 N ATOM 562 CA LYS A 38 -0.968 2.902 9.579 1.00 23.01 C ATOM 563 C LYS A 38 -0.240 4.191 9.186 1.00 65.34 C ATOM 564 O LYS A 38 -0.260 5.135 9.973 1.00 73.34 O ATOM 565 CB LYS A 38 -0.232 2.189 10.714 1.00 32.12 C ATOM 566 CG LYS A 38 -1.195 1.619 11.770 1.00 54.44 C ATOM 567 CD LYS A 38 -0.474 1.446 13.112 1.00 74.22 C ATOM 568 CE LYS A 38 -0.255 2.837 13.712 1.00 70.11 C ATOM 569 NZ LYS A 38 0.703 2.855 14.830 1.00 20.13 N ATOM 0 H LYS A 38 -0.438 1.186 8.551 1.00 2.21 H new ATOM 0 HA LYS A 38 -1.967 3.202 9.896 1.00 23.01 H new ATOM 0 HB2 LYS A 38 0.370 1.380 10.301 1.00 32.12 H new ATOM 0 HB3 LYS A 38 0.456 2.886 11.192 1.00 32.12 H new ATOM 0 HG2 LYS A 38 -2.048 2.286 11.892 1.00 54.44 H new ATOM 0 HG3 LYS A 38 -1.587 0.659 11.434 1.00 54.44 H new ATOM 0 HD2 LYS A 38 -1.067 0.829 13.787 1.00 74.22 H new ATOM 0 HD3 LYS A 38 0.480 0.937 12.970 1.00 74.22 H new ATOM 0 HE2 LYS A 38 0.100 3.509 12.930 1.00 70.11 H new ATOM 0 HE3 LYS A 38 -1.212 3.228 14.058 1.00 70.11 H new ATOM 0 HZ1 LYS A 38 0.802 3.827 15.187 1.00 20.13 H new ATOM 0 HZ2 LYS A 38 0.357 2.240 15.594 1.00 20.13 H new ATOM 0 HZ3 LYS A 38 1.628 2.511 14.500 1.00 20.13 H new ATOM 583 N ALA A 39 0.390 4.238 8.014 1.00 73.34 N ATOM 584 CA ALA A 39 0.994 5.419 7.437 1.00 52.51 C ATOM 585 C ALA A 39 0.127 5.837 6.254 1.00 74.15 C ATOM 586 O ALA A 39 0.468 5.529 5.113 1.00 44.31 O ATOM 587 CB ALA A 39 2.440 5.114 7.024 1.00 70.45 C ATOM 0 H ALA A 39 0.493 3.414 7.421 1.00 73.34 H new ATOM 0 HA ALA A 39 1.042 6.240 8.152 1.00 52.51 H new ATOM 0 HB1 ALA A 39 2.890 6.007 6.590 1.00 70.45 H new ATOM 0 HB2 ALA A 39 3.012 4.808 7.900 1.00 70.45 H new ATOM 0 HB3 ALA A 39 2.446 4.310 6.288 1.00 70.45 H new ATOM 593 N ASP A 40 -1.039 6.425 6.531 1.00 54.53 N ATOM 594 CA ASP A 40 -2.042 6.856 5.545 1.00 30.41 C ATOM 595 C ASP A 40 -2.858 8.044 6.078 1.00 43.21 C ATOM 596 O ASP A 40 -4.073 8.124 5.864 1.00 54.54 O ATOM 597 CB ASP A 40 -2.935 5.650 5.227 1.00 63.01 C ATOM 598 CG ASP A 40 -3.906 5.805 4.048 1.00 65.22 C ATOM 599 OD1 ASP A 40 -3.792 6.721 3.200 1.00 10.23 O ATOM 600 OD2 ASP A 40 -4.714 4.856 3.879 1.00 21.41 O ATOM 0 H ASP A 40 -1.326 6.624 7.489 1.00 54.53 H new ATOM 0 HA ASP A 40 -1.556 7.201 4.632 1.00 30.41 H new ATOM 0 HB2 ASP A 40 -2.292 4.793 5.028 1.00 63.01 H new ATOM 0 HB3 ASP A 40 -3.516 5.412 6.118 1.00 63.01 H new ATOM 605 N PHE A 41 -2.214 8.927 6.852 1.00 5.20 N ATOM 606 CA PHE A 41 -2.863 10.020 7.575 1.00 12.50 C ATOM 607 C PHE A 41 -1.956 11.257 7.625 1.00 23.23 C ATOM 608 O PHE A 41 -0.762 11.156 7.356 1.00 43.24 O ATOM 609 CB PHE A 41 -3.165 9.574 9.017 1.00 21.20 C ATOM 610 CG PHE A 41 -3.790 8.200 9.178 1.00 74.21 C ATOM 611 CD1 PHE A 41 -5.176 8.020 9.005 1.00 1.23 C ATOM 612 CD2 PHE A 41 -2.980 7.098 9.509 1.00 30.02 C ATOM 613 CE1 PHE A 41 -5.755 6.753 9.196 1.00 30.22 C ATOM 614 CE2 PHE A 41 -3.556 5.827 9.667 1.00 54.22 C ATOM 615 CZ PHE A 41 -4.943 5.656 9.534 1.00 12.53 C ATOM 0 H PHE A 41 -1.204 8.898 6.994 1.00 5.20 H new ATOM 0 HA PHE A 41 -3.785 10.274 7.053 1.00 12.50 H new ATOM 0 HB2 PHE A 41 -2.234 9.595 9.584 1.00 21.20 H new ATOM 0 HB3 PHE A 41 -3.831 10.308 9.470 1.00 21.20 H new ATOM 0 HD1 PHE A 41 -5.796 8.858 8.725 1.00 1.23 H new ATOM 0 HD2 PHE A 41 -1.916 7.230 9.641 1.00 30.02 H new ATOM 0 HE1 PHE A 41 -6.821 6.623 9.083 1.00 30.22 H new ATOM 0 HE2 PHE A 41 -2.929 4.977 9.892 1.00 54.22 H new ATOM 0 HZ PHE A 41 -5.386 4.683 9.691 1.00 12.53 H new ATOM 625 N GLU A 42 -2.511 12.388 8.075 1.00 34.32 N ATOM 626 CA GLU A 42 -1.866 13.644 8.484 1.00 41.22 C ATOM 627 C GLU A 42 -1.173 14.416 7.347 1.00 42.41 C ATOM 628 O GLU A 42 -1.395 15.623 7.208 1.00 41.11 O ATOM 629 CB GLU A 42 -0.965 13.425 9.719 1.00 33.43 C ATOM 630 CG GLU A 42 -1.771 12.850 10.897 1.00 70.32 C ATOM 631 CD GLU A 42 -1.089 13.038 12.262 1.00 71.44 C ATOM 632 OE1 GLU A 42 -0.031 12.423 12.544 1.00 3.23 O ATOM 633 OE2 GLU A 42 -1.692 13.675 13.153 1.00 44.44 O ATOM 0 H GLU A 42 -3.524 12.454 8.172 1.00 34.32 H new ATOM 0 HA GLU A 42 -2.673 14.315 8.779 1.00 41.22 H new ATOM 0 HB2 GLU A 42 -0.152 12.745 9.464 1.00 33.43 H new ATOM 0 HB3 GLU A 42 -0.509 14.371 10.013 1.00 33.43 H new ATOM 0 HG2 GLU A 42 -2.751 13.326 10.922 1.00 70.32 H new ATOM 0 HG3 GLU A 42 -1.937 11.786 10.727 1.00 70.32 H new ATOM 640 N GLU A 43 -0.396 13.756 6.495 1.00 71.25 N ATOM 641 CA GLU A 43 -0.060 14.241 5.164 1.00 72.44 C ATOM 642 C GLU A 43 -1.355 14.271 4.321 1.00 31.23 C ATOM 643 O GLU A 43 -2.318 13.571 4.651 1.00 41.21 O ATOM 644 CB GLU A 43 0.999 13.310 4.550 1.00 74.05 C ATOM 645 CG GLU A 43 2.415 13.916 4.546 1.00 65.03 C ATOM 646 CD GLU A 43 3.210 13.844 5.861 1.00 24.40 C ATOM 647 OE1 GLU A 43 2.747 13.307 6.890 1.00 72.15 O ATOM 648 OE2 GLU A 43 4.395 14.272 5.842 1.00 72.23 O ATOM 0 H GLU A 43 0.025 12.853 6.715 1.00 71.25 H new ATOM 0 HA GLU A 43 0.356 15.248 5.197 1.00 72.44 H new ATOM 0 HB2 GLU A 43 1.014 12.372 5.106 1.00 74.05 H new ATOM 0 HB3 GLU A 43 0.712 13.069 3.527 1.00 74.05 H new ATOM 0 HG2 GLU A 43 2.996 13.415 3.771 1.00 65.03 H new ATOM 0 HG3 GLU A 43 2.334 14.964 4.256 1.00 65.03 H new ATOM 655 N ALA A 44 -1.409 15.053 3.235 1.00 45.41 N ATOM 656 CA ALA A 44 -2.653 15.342 2.532 1.00 13.42 C ATOM 657 C ALA A 44 -2.787 14.462 1.290 1.00 33.24 C ATOM 658 O ALA A 44 -2.422 14.858 0.177 1.00 54.54 O ATOM 659 CB ALA A 44 -2.717 16.823 2.173 1.00 63.15 C ATOM 0 H ALA A 44 -0.589 15.500 2.824 1.00 45.41 H new ATOM 0 HA ALA A 44 -3.493 15.114 3.189 1.00 13.42 H new ATOM 0 HB1 ALA A 44 -3.650 17.030 1.648 1.00 63.15 H new ATOM 0 HB2 ALA A 44 -2.673 17.420 3.084 1.00 63.15 H new ATOM 0 HB3 ALA A 44 -1.874 17.078 1.530 1.00 63.15 H new ATOM 665 N GLY A 45 -3.360 13.278 1.451 1.00 12.10 N ATOM 666 CA GLY A 45 -3.670 12.371 0.356 1.00 13.44 C ATOM 667 C GLY A 45 -2.826 11.122 0.468 1.00 73.44 C ATOM 668 O GLY A 45 -3.321 10.103 0.945 1.00 53.34 O ATOM 0 H GLY A 45 -3.628 12.914 2.365 1.00 12.10 H new ATOM 0 HA2 GLY A 45 -4.728 12.109 0.378 1.00 13.44 H new ATOM 0 HA3 GLY A 45 -3.483 12.862 -0.599 1.00 13.44 H new ATOM 672 N HIS A 46 -1.565 11.199 0.026 1.00 73.12 N ATOM 673 CA HIS A 46 -0.631 10.084 0.120 1.00 53.12 C ATOM 674 C HIS A 46 0.667 10.593 0.733 1.00 70.44 C ATOM 675 O HIS A 46 0.845 10.386 1.923 1.00 23.44 O ATOM 676 CB HIS A 46 -0.476 9.336 -1.215 1.00 54.02 C ATOM 677 CG HIS A 46 -1.779 9.025 -1.897 1.00 61.05 C ATOM 678 ND1 HIS A 46 -2.216 9.583 -3.074 1.00 62.12 N ATOM 679 CD2 HIS A 46 -2.750 8.172 -1.450 1.00 5.21 C ATOM 680 CE1 HIS A 46 -3.419 9.064 -3.346 1.00 52.25 C ATOM 681 NE2 HIS A 46 -3.786 8.196 -2.390 1.00 54.53 N ATOM 0 H HIS A 46 -1.170 12.035 -0.404 1.00 73.12 H new ATOM 0 HA HIS A 46 -1.023 9.315 0.785 1.00 53.12 H new ATOM 0 HB2 HIS A 46 0.139 9.935 -1.886 1.00 54.02 H new ATOM 0 HB3 HIS A 46 0.061 8.404 -1.037 1.00 54.02 H new ATOM 0 HD1 HIS A 46 -1.714 10.269 -3.638 1.00 62.12 H new ATOM 0 HD2 HIS A 46 -2.722 7.589 -0.541 1.00 5.21 H new ATOM 0 HE1 HIS A 46 -4.012 9.309 -4.214 1.00 52.25 H new ATOM 689 N GLU A 47 1.526 11.271 -0.043 1.00 32.34 N ATOM 690 CA GLU A 47 2.803 11.889 0.345 1.00 45.23 C ATOM 691 C GLU A 47 3.702 10.991 1.231 1.00 1.34 C ATOM 692 O GLU A 47 4.641 10.365 0.735 1.00 31.13 O ATOM 693 CB GLU A 47 2.569 13.261 0.994 1.00 52.03 C ATOM 694 CG GLU A 47 1.845 14.320 0.152 1.00 43.41 C ATOM 695 CD GLU A 47 1.725 15.636 0.940 1.00 70.11 C ATOM 696 OE1 GLU A 47 2.760 16.317 1.135 1.00 30.14 O ATOM 697 OE2 GLU A 47 0.597 16.022 1.325 1.00 13.10 O ATOM 0 H GLU A 47 1.331 11.412 -1.034 1.00 32.34 H new ATOM 0 HA GLU A 47 3.361 12.024 -0.581 1.00 45.23 H new ATOM 0 HB2 GLU A 47 1.998 13.109 1.910 1.00 52.03 H new ATOM 0 HB3 GLU A 47 3.538 13.666 1.286 1.00 52.03 H new ATOM 0 HG2 GLU A 47 2.390 14.492 -0.776 1.00 43.41 H new ATOM 0 HG3 GLU A 47 0.853 13.961 -0.123 1.00 43.41 H new ATOM 704 N ASP A 48 3.431 10.929 2.539 1.00 62.41 N ATOM 705 CA ASP A 48 4.068 10.043 3.513 1.00 10.33 C ATOM 706 C ASP A 48 3.876 8.569 3.158 1.00 5.02 C ATOM 707 O ASP A 48 4.793 7.772 3.333 1.00 42.31 O ATOM 708 CB ASP A 48 3.486 10.298 4.907 1.00 70.24 C ATOM 709 CG ASP A 48 4.146 9.395 5.947 1.00 70.11 C ATOM 710 OD1 ASP A 48 5.300 9.702 6.348 1.00 33.41 O ATOM 711 OD2 ASP A 48 3.549 8.370 6.311 1.00 11.21 O ATOM 0 H ASP A 48 2.724 11.527 2.967 1.00 62.41 H new ATOM 0 HA ASP A 48 5.136 10.261 3.500 1.00 10.33 H new ATOM 0 HB2 ASP A 48 3.633 11.343 5.181 1.00 70.24 H new ATOM 0 HB3 ASP A 48 2.411 10.120 4.895 1.00 70.24 H new ATOM 716 N VAL A 49 2.732 8.220 2.567 1.00 43.23 N ATOM 717 CA VAL A 49 2.431 6.894 2.031 1.00 74.52 C ATOM 718 C VAL A 49 3.455 6.482 0.961 1.00 45.15 C ATOM 719 O VAL A 49 3.706 5.291 0.741 1.00 45.01 O ATOM 720 CB VAL A 49 1.004 6.933 1.441 1.00 30.31 C ATOM 721 CG1 VAL A 49 0.620 5.675 0.658 1.00 44.45 C ATOM 722 CG2 VAL A 49 -0.094 7.150 2.491 1.00 33.22 C ATOM 0 H VAL A 49 1.962 8.878 2.445 1.00 43.23 H new ATOM 0 HA VAL A 49 2.489 6.151 2.826 1.00 74.52 H new ATOM 0 HB VAL A 49 1.056 7.789 0.768 1.00 30.31 H new ATOM 0 HG11 VAL A 49 -0.396 5.780 0.276 1.00 44.45 H new ATOM 0 HG12 VAL A 49 1.309 5.541 -0.176 1.00 44.45 H new ATOM 0 HG13 VAL A 49 0.673 4.807 1.315 1.00 44.45 H new ATOM 0 HG21 VAL A 49 -1.068 7.166 2.001 1.00 33.22 H new ATOM 0 HG22 VAL A 49 -0.067 6.339 3.219 1.00 33.22 H new ATOM 0 HG23 VAL A 49 0.072 8.100 3.000 1.00 33.22 H new ATOM 732 N MET A 50 4.041 7.454 0.260 1.00 1.10 N ATOM 733 CA MET A 50 5.079 7.197 -0.722 1.00 51.21 C ATOM 734 C MET A 50 6.392 7.015 0.032 1.00 24.12 C ATOM 735 O MET A 50 7.047 5.982 -0.088 1.00 45.34 O ATOM 736 CB MET A 50 5.165 8.333 -1.754 1.00 72.12 C ATOM 737 CG MET A 50 3.816 8.919 -2.221 1.00 71.21 C ATOM 738 SD MET A 50 2.473 7.780 -2.664 1.00 2.23 S ATOM 739 CE MET A 50 3.348 6.768 -3.868 1.00 10.23 C ATOM 0 H MET A 50 3.804 8.441 0.362 1.00 1.10 H new ATOM 0 HA MET A 50 4.850 6.294 -1.288 1.00 51.21 H new ATOM 0 HB2 MET A 50 5.763 9.140 -1.330 1.00 72.12 H new ATOM 0 HB3 MET A 50 5.702 7.965 -2.628 1.00 72.12 H new ATOM 0 HG2 MET A 50 3.448 9.571 -1.429 1.00 71.21 H new ATOM 0 HG3 MET A 50 4.013 9.550 -3.088 1.00 71.21 H new ATOM 0 HE1 MET A 50 2.640 6.382 -4.602 1.00 10.23 H new ATOM 0 HE2 MET A 50 4.101 7.373 -4.373 1.00 10.23 H new ATOM 0 HE3 MET A 50 3.833 5.935 -3.359 1.00 10.23 H new ATOM 749 N ARG A 51 6.747 7.994 0.870 1.00 12.22 N ATOM 750 CA ARG A 51 7.943 7.999 1.706 1.00 61.42 C ATOM 751 C ARG A 51 8.072 6.719 2.541 1.00 61.31 C ATOM 752 O ARG A 51 9.187 6.281 2.815 1.00 43.02 O ATOM 753 CB ARG A 51 7.840 9.222 2.629 1.00 23.53 C ATOM 754 CG ARG A 51 9.203 9.767 3.082 1.00 74.15 C ATOM 755 CD ARG A 51 9.256 10.227 4.549 1.00 32.24 C ATOM 756 NE ARG A 51 7.978 10.734 5.083 1.00 10.24 N ATOM 757 CZ ARG A 51 7.374 11.908 4.876 1.00 1.10 C ATOM 758 NH1 ARG A 51 7.888 12.819 4.055 1.00 43.13 N ATOM 759 NH2 ARG A 51 6.230 12.145 5.495 1.00 11.11 N ATOM 0 H ARG A 51 6.184 8.837 0.986 1.00 12.22 H new ATOM 0 HA ARG A 51 8.830 8.045 1.074 1.00 61.42 H new ATOM 0 HB2 ARG A 51 7.296 10.012 2.112 1.00 23.53 H new ATOM 0 HB3 ARG A 51 7.254 8.955 3.509 1.00 23.53 H new ATOM 0 HG2 ARG A 51 9.957 8.994 2.930 1.00 74.15 H new ATOM 0 HG3 ARG A 51 9.474 10.607 2.442 1.00 74.15 H new ATOM 0 HD2 ARG A 51 9.586 9.391 5.166 1.00 32.24 H new ATOM 0 HD3 ARG A 51 10.009 11.009 4.643 1.00 32.24 H new ATOM 0 HE ARG A 51 7.481 10.093 5.702 1.00 10.24 H new ATOM 0 HH11 ARG A 51 8.763 12.629 3.566 1.00 43.13 H new ATOM 0 HH12 ARG A 51 7.407 13.708 3.914 1.00 43.13 H new ATOM 0 HH21 ARG A 51 5.829 11.440 6.113 1.00 11.11 H new ATOM 0 HH22 ARG A 51 5.748 13.033 5.354 1.00 11.11 H new ATOM 773 N LYS A 52 6.946 6.125 2.939 1.00 31.40 N ATOM 774 CA LYS A 52 6.829 4.857 3.640 1.00 30.12 C ATOM 775 C LYS A 52 7.519 3.784 2.820 1.00 43.34 C ATOM 776 O LYS A 52 8.567 3.288 3.216 1.00 63.34 O ATOM 777 CB LYS A 52 5.338 4.576 3.926 1.00 73.11 C ATOM 778 CG LYS A 52 5.003 3.149 4.380 1.00 3.13 C ATOM 779 CD LYS A 52 5.753 2.706 5.626 1.00 21.30 C ATOM 780 CE LYS A 52 5.386 1.295 6.091 1.00 13.10 C ATOM 781 NZ LYS A 52 6.403 0.805 7.040 1.00 14.14 N ATOM 0 H LYS A 52 6.035 6.549 2.766 1.00 31.40 H new ATOM 0 HA LYS A 52 7.327 4.877 4.609 1.00 30.12 H new ATOM 0 HB2 LYS A 52 4.997 5.271 4.694 1.00 73.11 H new ATOM 0 HB3 LYS A 52 4.767 4.793 3.023 1.00 73.11 H new ATOM 0 HG2 LYS A 52 3.932 3.081 4.569 1.00 3.13 H new ATOM 0 HG3 LYS A 52 5.228 2.458 3.568 1.00 3.13 H new ATOM 0 HD2 LYS A 52 6.824 2.748 5.430 1.00 21.30 H new ATOM 0 HD3 LYS A 52 5.549 3.410 6.433 1.00 21.30 H new ATOM 0 HE2 LYS A 52 4.405 1.302 6.566 1.00 13.10 H new ATOM 0 HE3 LYS A 52 5.321 0.624 5.234 1.00 13.10 H new ATOM 0 HZ1 LYS A 52 6.023 -0.006 7.568 1.00 14.14 H new ATOM 0 HZ2 LYS A 52 7.252 0.510 6.517 1.00 14.14 H new ATOM 0 HZ3 LYS A 52 6.652 1.565 7.705 1.00 14.14 H new ATOM 795 N VAL A 53 6.936 3.411 1.686 1.00 30.30 N ATOM 796 CA VAL A 53 7.412 2.269 0.927 1.00 70.35 C ATOM 797 C VAL A 53 8.797 2.553 0.358 1.00 53.02 C ATOM 798 O VAL A 53 9.614 1.643 0.277 1.00 1.43 O ATOM 799 CB VAL A 53 6.385 1.883 -0.154 1.00 43.43 C ATOM 800 CG1 VAL A 53 5.064 1.460 0.508 1.00 3.44 C ATOM 801 CG2 VAL A 53 6.085 3.025 -1.135 1.00 14.03 C ATOM 0 H VAL A 53 6.132 3.886 1.275 1.00 30.30 H new ATOM 0 HA VAL A 53 7.515 1.407 1.586 1.00 70.35 H new ATOM 0 HB VAL A 53 6.828 1.062 -0.717 1.00 43.43 H new ATOM 0 HG11 VAL A 53 4.342 1.188 -0.262 1.00 3.44 H new ATOM 0 HG12 VAL A 53 5.241 0.603 1.158 1.00 3.44 H new ATOM 0 HG13 VAL A 53 4.671 2.288 1.098 1.00 3.44 H new ATOM 0 HG21 VAL A 53 5.355 2.690 -1.871 1.00 14.03 H new ATOM 0 HG22 VAL A 53 5.683 3.878 -0.588 1.00 14.03 H new ATOM 0 HG23 VAL A 53 7.004 3.319 -1.643 1.00 14.03 H new ATOM 811 N LEU A 54 9.078 3.807 -0.002 1.00 51.01 N ATOM 812 CA LEU A 54 10.346 4.192 -0.591 1.00 53.44 C ATOM 813 C LEU A 54 11.470 4.034 0.426 1.00 33.44 C ATOM 814 O LEU A 54 12.477 3.400 0.106 1.00 45.35 O ATOM 815 CB LEU A 54 10.257 5.624 -1.140 1.00 63.31 C ATOM 816 CG LEU A 54 9.288 5.740 -2.334 1.00 65.23 C ATOM 817 CD1 LEU A 54 9.049 7.213 -2.658 1.00 3.23 C ATOM 818 CD2 LEU A 54 9.802 5.023 -3.584 1.00 31.12 C ATOM 0 H LEU A 54 8.424 4.582 0.111 1.00 51.01 H new ATOM 0 HA LEU A 54 10.574 3.533 -1.429 1.00 53.44 H new ATOM 0 HB2 LEU A 54 9.931 6.295 -0.345 1.00 63.31 H new ATOM 0 HB3 LEU A 54 11.249 5.954 -1.448 1.00 63.31 H new ATOM 0 HG LEU A 54 8.357 5.255 -2.040 1.00 65.23 H new ATOM 0 HD11 LEU A 54 8.364 7.293 -3.502 1.00 3.23 H new ATOM 0 HD12 LEU A 54 8.616 7.711 -1.790 1.00 3.23 H new ATOM 0 HD13 LEU A 54 9.996 7.688 -2.913 1.00 3.23 H new ATOM 0 HD21 LEU A 54 9.080 5.138 -4.392 1.00 31.12 H new ATOM 0 HD22 LEU A 54 10.756 5.456 -3.885 1.00 31.12 H new ATOM 0 HD23 LEU A 54 9.937 3.964 -3.366 1.00 31.12 H new ATOM 830 N GLY A 55 11.285 4.552 1.644 1.00 62.34 N ATOM 831 CA GLY A 55 12.258 4.419 2.714 1.00 14.20 C ATOM 832 C GLY A 55 12.418 2.954 3.105 1.00 51.03 C ATOM 833 O GLY A 55 13.550 2.477 3.213 1.00 24.35 O ATOM 0 H GLY A 55 10.451 5.076 1.909 1.00 62.34 H new ATOM 0 HA2 GLY A 55 13.218 4.824 2.394 1.00 14.20 H new ATOM 0 HA3 GLY A 55 11.939 5.001 3.579 1.00 14.20 H new ATOM 837 N ASP A 56 11.303 2.234 3.276 1.00 65.32 N ATOM 838 CA ASP A 56 11.278 0.825 3.670 1.00 12.01 C ATOM 839 C ASP A 56 12.079 -0.021 2.676 1.00 45.23 C ATOM 840 O ASP A 56 12.886 -0.854 3.085 1.00 73.20 O ATOM 841 CB ASP A 56 9.835 0.299 3.757 1.00 52.35 C ATOM 842 CG ASP A 56 9.119 0.535 5.093 1.00 63.42 C ATOM 843 OD1 ASP A 56 9.275 1.575 5.765 1.00 33.50 O ATOM 844 OD2 ASP A 56 8.289 -0.325 5.461 1.00 25.12 O ATOM 0 H ASP A 56 10.372 2.627 3.140 1.00 65.32 H new ATOM 0 HA ASP A 56 11.734 0.746 4.657 1.00 12.01 H new ATOM 0 HB2 ASP A 56 9.250 0.766 2.965 1.00 52.35 H new ATOM 0 HB3 ASP A 56 9.846 -0.772 3.556 1.00 52.35 H new ATOM 849 N LEU A 57 11.880 0.204 1.370 1.00 1.44 N ATOM 850 CA LEU A 57 12.485 -0.561 0.278 1.00 62.43 C ATOM 851 C LEU A 57 14.004 -0.505 0.247 1.00 12.32 C ATOM 852 O LEU A 57 14.615 -1.403 -0.333 1.00 45.10 O ATOM 853 CB LEU A 57 11.993 -0.035 -1.081 1.00 30.43 C ATOM 854 CG LEU A 57 10.706 -0.697 -1.571 1.00 62.11 C ATOM 855 CD1 LEU A 57 10.193 0.091 -2.781 1.00 10.12 C ATOM 856 CD2 LEU A 57 10.967 -2.144 -1.994 1.00 3.05 C ATOM 0 H LEU A 57 11.271 0.951 1.036 1.00 1.44 H new ATOM 0 HA LEU A 57 12.181 -1.592 0.459 1.00 62.43 H new ATOM 0 HB2 LEU A 57 11.831 1.040 -1.007 1.00 30.43 H new ATOM 0 HB3 LEU A 57 12.775 -0.189 -1.824 1.00 30.43 H new ATOM 0 HG LEU A 57 9.973 -0.699 -0.765 1.00 62.11 H new ATOM 0 HD11 LEU A 57 9.273 -0.364 -3.148 1.00 10.12 H new ATOM 0 HD12 LEU A 57 9.995 1.122 -2.487 1.00 10.12 H new ATOM 0 HD13 LEU A 57 10.945 0.077 -3.570 1.00 10.12 H new ATOM 0 HD21 LEU A 57 10.037 -2.596 -2.339 1.00 3.05 H new ATOM 0 HD22 LEU A 57 11.700 -2.161 -2.801 1.00 3.05 H new ATOM 0 HD23 LEU A 57 11.350 -2.708 -1.144 1.00 3.05 H new ATOM 868 N ASP A 58 14.609 0.535 0.819 1.00 1.42 N ATOM 869 CA ASP A 58 16.058 0.655 0.971 1.00 30.15 C ATOM 870 C ASP A 58 16.783 0.773 -0.382 1.00 73.13 C ATOM 871 O ASP A 58 17.973 0.478 -0.491 1.00 45.44 O ATOM 872 CB ASP A 58 16.560 -0.530 1.815 1.00 65.20 C ATOM 873 CG ASP A 58 17.896 -0.301 2.506 1.00 43.41 C ATOM 874 OD1 ASP A 58 18.437 0.824 2.522 1.00 50.21 O ATOM 875 OD2 ASP A 58 18.406 -1.300 3.068 1.00 33.53 O ATOM 0 H ASP A 58 14.097 1.332 1.197 1.00 1.42 H new ATOM 0 HA ASP A 58 16.291 1.584 1.491 1.00 30.15 H new ATOM 0 HB2 ASP A 58 15.811 -0.762 2.572 1.00 65.20 H new ATOM 0 HB3 ASP A 58 16.645 -1.406 1.172 1.00 65.20 H new ATOM 880 N GLY A 59 16.077 1.196 -1.437 1.00 3.41 N ATOM 881 CA GLY A 59 16.591 1.306 -2.797 1.00 44.32 C ATOM 882 C GLY A 59 16.408 0.027 -3.617 1.00 10.25 C ATOM 883 O GLY A 59 17.059 -0.134 -4.650 1.00 2.11 O ATOM 0 H GLY A 59 15.100 1.479 -1.359 1.00 3.41 H new ATOM 0 HA2 GLY A 59 16.087 2.129 -3.303 1.00 44.32 H new ATOM 0 HA3 GLY A 59 17.651 1.556 -2.758 1.00 44.32 H new ATOM 887 N LYS A 60 15.555 -0.916 -3.190 1.00 70.41 N ATOM 888 CA LYS A 60 15.313 -2.135 -3.956 1.00 50.22 C ATOM 889 C LYS A 60 14.676 -1.883 -5.327 1.00 30.42 C ATOM 890 O LYS A 60 14.946 -2.643 -6.256 1.00 42.03 O ATOM 891 CB LYS A 60 14.468 -3.110 -3.145 1.00 63.44 C ATOM 892 CG LYS A 60 15.302 -4.192 -2.438 1.00 23.32 C ATOM 893 CD LYS A 60 14.396 -5.356 -2.016 1.00 25.31 C ATOM 894 CE LYS A 60 15.179 -6.615 -1.608 1.00 4.24 C ATOM 895 NZ LYS A 60 15.520 -6.682 -0.172 1.00 1.25 N ATOM 0 H LYS A 60 15.026 -0.853 -2.320 1.00 70.41 H new ATOM 0 HA LYS A 60 16.292 -2.573 -4.153 1.00 50.22 H new ATOM 0 HB2 LYS A 60 13.899 -2.554 -2.400 1.00 63.44 H new ATOM 0 HB3 LYS A 60 13.746 -3.591 -3.805 1.00 63.44 H new ATOM 0 HG2 LYS A 60 16.086 -4.553 -3.104 1.00 23.32 H new ATOM 0 HG3 LYS A 60 15.797 -3.769 -1.564 1.00 23.32 H new ATOM 0 HD2 LYS A 60 13.771 -5.038 -1.181 1.00 25.31 H new ATOM 0 HD3 LYS A 60 13.726 -5.603 -2.839 1.00 25.31 H new ATOM 0 HE2 LYS A 60 14.592 -7.495 -1.871 1.00 4.24 H new ATOM 0 HE3 LYS A 60 16.099 -6.660 -2.190 1.00 4.24 H new ATOM 0 HZ1 LYS A 60 16.456 -7.120 -0.058 1.00 1.25 H new ATOM 0 HZ2 LYS A 60 15.536 -5.721 0.226 1.00 1.25 H new ATOM 0 HZ3 LYS A 60 14.808 -7.252 0.328 1.00 1.25 H new ATOM 909 N ARG A 61 13.812 -0.876 -5.475 1.00 63.13 N ATOM 910 CA ARG A 61 13.122 -0.571 -6.729 1.00 65.54 C ATOM 911 C ARG A 61 13.086 0.946 -6.907 1.00 64.50 C ATOM 912 O ARG A 61 12.966 1.639 -5.895 1.00 65.43 O ATOM 913 CB ARG A 61 11.680 -1.121 -6.706 1.00 5.23 C ATOM 914 CG ARG A 61 11.511 -2.577 -7.169 1.00 5.05 C ATOM 915 CD ARG A 61 11.666 -2.734 -8.693 1.00 12.05 C ATOM 916 NE ARG A 61 10.811 -3.813 -9.208 1.00 50.32 N ATOM 917 CZ ARG A 61 11.054 -5.122 -9.222 1.00 5.35 C ATOM 918 NH1 ARG A 61 12.270 -5.610 -9.005 1.00 5.12 N ATOM 919 NH2 ARG A 61 10.042 -5.947 -9.457 1.00 33.41 N ATOM 0 H ARG A 61 13.569 -0.240 -4.715 1.00 63.13 H new ATOM 0 HA ARG A 61 13.655 -1.040 -7.556 1.00 65.54 H new ATOM 0 HB2 ARG A 61 11.295 -1.036 -5.690 1.00 5.23 H new ATOM 0 HB3 ARG A 61 11.059 -0.485 -7.336 1.00 5.23 H new ATOM 0 HG2 ARG A 61 12.248 -3.203 -6.666 1.00 5.05 H new ATOM 0 HG3 ARG A 61 10.528 -2.939 -6.868 1.00 5.05 H new ATOM 0 HD2 ARG A 61 11.408 -1.796 -9.185 1.00 12.05 H new ATOM 0 HD3 ARG A 61 12.708 -2.945 -8.935 1.00 12.05 H new ATOM 0 HE ARG A 61 9.918 -3.522 -9.605 1.00 50.32 H new ATOM 0 HH11 ARG A 61 13.048 -4.977 -8.821 1.00 5.12 H new ATOM 0 HH12 ARG A 61 12.426 -6.618 -9.022 1.00 5.12 H new ATOM 0 HH21 ARG A 61 9.107 -5.574 -9.621 1.00 33.41 H new ATOM 0 HH22 ARG A 61 10.199 -6.955 -9.474 1.00 33.41 H new ATOM 933 N PRO A 62 13.083 1.442 -8.158 1.00 61.32 N ATOM 934 CA PRO A 62 12.964 2.859 -8.467 1.00 61.53 C ATOM 935 C PRO A 62 11.636 3.404 -7.964 1.00 72.14 C ATOM 936 O PRO A 62 10.606 2.739 -8.118 1.00 73.33 O ATOM 937 CB PRO A 62 13.024 2.967 -9.998 1.00 4.31 C ATOM 938 CG PRO A 62 12.600 1.582 -10.465 1.00 52.14 C ATOM 939 CD PRO A 62 13.193 0.684 -9.393 1.00 43.42 C ATOM 0 HA PRO A 62 13.757 3.434 -7.989 1.00 61.53 H new ATOM 0 HB2 PRO A 62 12.354 3.740 -10.373 1.00 4.31 H new ATOM 0 HB3 PRO A 62 14.026 3.219 -10.344 1.00 4.31 H new ATOM 0 HG2 PRO A 62 11.516 1.486 -10.522 1.00 52.14 H new ATOM 0 HG3 PRO A 62 12.993 1.348 -11.454 1.00 52.14 H new ATOM 0 HD2 PRO A 62 12.651 -0.259 -9.326 1.00 43.42 H new ATOM 0 HD3 PRO A 62 14.232 0.440 -9.614 1.00 43.42 H new ATOM 947 N GLU A 63 11.631 4.663 -7.511 1.00 71.24 N ATOM 948 CA GLU A 63 10.413 5.360 -7.107 1.00 22.13 C ATOM 949 C GLU A 63 9.336 5.252 -8.191 1.00 1.31 C ATOM 950 O GLU A 63 8.179 4.973 -7.884 1.00 50.44 O ATOM 951 CB GLU A 63 10.707 6.824 -6.704 1.00 51.23 C ATOM 952 CG GLU A 63 9.393 7.579 -6.406 1.00 22.31 C ATOM 953 CD GLU A 63 9.495 8.919 -5.659 1.00 71.33 C ATOM 954 OE1 GLU A 63 10.525 9.273 -5.045 1.00 4.40 O ATOM 955 OE2 GLU A 63 8.454 9.619 -5.647 1.00 2.40 O ATOM 0 H GLU A 63 12.476 5.226 -7.415 1.00 71.24 H new ATOM 0 HA GLU A 63 10.018 4.870 -6.217 1.00 22.13 H new ATOM 0 HB2 GLU A 63 11.351 6.843 -5.825 1.00 51.23 H new ATOM 0 HB3 GLU A 63 11.248 7.326 -7.506 1.00 51.23 H new ATOM 0 HG2 GLU A 63 8.888 7.761 -7.355 1.00 22.31 H new ATOM 0 HG3 GLU A 63 8.751 6.918 -5.824 1.00 22.31 H new ATOM 962 N ALA A 64 9.723 5.412 -9.460 1.00 13.21 N ATOM 963 CA ALA A 64 8.809 5.381 -10.591 1.00 1.31 C ATOM 964 C ALA A 64 7.940 4.119 -10.595 1.00 13.44 C ATOM 965 O ALA A 64 6.718 4.212 -10.752 1.00 25.31 O ATOM 966 CB ALA A 64 9.614 5.479 -11.887 1.00 71.33 C ATOM 0 H ALA A 64 10.695 5.568 -9.728 1.00 13.21 H new ATOM 0 HA ALA A 64 8.132 6.231 -10.507 1.00 1.31 H new ATOM 0 HB1 ALA A 64 8.935 5.456 -12.740 1.00 71.33 H new ATOM 0 HB2 ALA A 64 10.177 6.412 -11.896 1.00 71.33 H new ATOM 0 HB3 ALA A 64 10.305 4.638 -11.951 1.00 71.33 H new ATOM 972 N GLU A 65 8.560 2.946 -10.439 1.00 51.14 N ATOM 973 CA GLU A 65 7.833 1.684 -10.509 1.00 11.23 C ATOM 974 C GLU A 65 6.988 1.478 -9.242 1.00 70.51 C ATOM 975 O GLU A 65 5.940 0.829 -9.281 1.00 3.12 O ATOM 976 CB GLU A 65 8.837 0.538 -10.697 1.00 51.21 C ATOM 977 CG GLU A 65 8.163 -0.676 -11.338 1.00 22.53 C ATOM 978 CD GLU A 65 8.944 -1.965 -11.104 1.00 22.54 C ATOM 979 OE1 GLU A 65 10.109 -2.084 -11.530 1.00 43.45 O ATOM 980 OE2 GLU A 65 8.388 -2.923 -10.520 1.00 25.53 O ATOM 0 H GLU A 65 9.560 2.848 -10.264 1.00 51.14 H new ATOM 0 HA GLU A 65 7.150 1.701 -11.359 1.00 11.23 H new ATOM 0 HB2 GLU A 65 9.664 0.873 -11.323 1.00 51.21 H new ATOM 0 HB3 GLU A 65 9.260 0.257 -9.732 1.00 51.21 H new ATOM 0 HG2 GLU A 65 7.157 -0.785 -10.933 1.00 22.53 H new ATOM 0 HG3 GLU A 65 8.059 -0.507 -12.410 1.00 22.53 H new ATOM 987 N VAL A 66 7.434 2.034 -8.114 1.00 62.54 N ATOM 988 CA VAL A 66 6.795 1.909 -6.811 1.00 25.12 C ATOM 989 C VAL A 66 5.508 2.741 -6.792 1.00 72.32 C ATOM 990 O VAL A 66 4.447 2.202 -6.444 1.00 64.33 O ATOM 991 CB VAL A 66 7.827 2.283 -5.723 1.00 5.34 C ATOM 992 CG1 VAL A 66 7.241 2.322 -4.308 1.00 3.30 C ATOM 993 CG2 VAL A 66 8.976 1.260 -5.715 1.00 24.20 C ATOM 0 H VAL A 66 8.280 2.603 -8.086 1.00 62.54 H new ATOM 0 HA VAL A 66 6.482 0.886 -6.602 1.00 25.12 H new ATOM 0 HB VAL A 66 8.172 3.285 -5.979 1.00 5.34 H new ATOM 0 HG11 VAL A 66 8.023 2.591 -3.598 1.00 3.30 H new ATOM 0 HG12 VAL A 66 6.442 3.062 -4.265 1.00 3.30 H new ATOM 0 HG13 VAL A 66 6.841 1.341 -4.053 1.00 3.30 H new ATOM 0 HG21 VAL A 66 9.699 1.531 -4.946 1.00 24.20 H new ATOM 0 HG22 VAL A 66 8.578 0.267 -5.505 1.00 24.20 H new ATOM 0 HG23 VAL A 66 9.467 1.256 -6.688 1.00 24.20 H new ATOM 1003 N ARG A 67 5.550 4.012 -7.222 1.00 23.42 N ATOM 1004 CA ARG A 67 4.329 4.808 -7.346 1.00 62.54 C ATOM 1005 C ARG A 67 3.389 4.174 -8.366 1.00 50.11 C ATOM 1006 O ARG A 67 2.190 4.133 -8.100 1.00 4.30 O ATOM 1007 CB ARG A 67 4.590 6.311 -7.591 1.00 5.00 C ATOM 1008 CG ARG A 67 5.375 6.668 -8.862 1.00 34.31 C ATOM 1009 CD ARG A 67 5.400 8.172 -9.159 1.00 32.22 C ATOM 1010 NE ARG A 67 6.046 9.001 -8.119 1.00 32.21 N ATOM 1011 CZ ARG A 67 5.869 10.323 -7.956 1.00 50.13 C ATOM 1012 NH1 ARG A 67 4.857 10.954 -8.551 1.00 65.11 N ATOM 1013 NH2 ARG A 67 6.713 11.025 -7.219 1.00 32.32 N ATOM 0 H ARG A 67 6.406 4.501 -7.485 1.00 23.42 H new ATOM 0 HA ARG A 67 3.825 4.791 -6.380 1.00 62.54 H new ATOM 0 HB2 ARG A 67 3.629 6.823 -7.628 1.00 5.00 H new ATOM 0 HB3 ARG A 67 5.131 6.709 -6.732 1.00 5.00 H new ATOM 0 HG2 ARG A 67 6.399 6.308 -8.761 1.00 34.31 H new ATOM 0 HG3 ARG A 67 4.935 6.145 -9.711 1.00 34.31 H new ATOM 0 HD2 ARG A 67 5.918 8.332 -10.105 1.00 32.22 H new ATOM 0 HD3 ARG A 67 4.375 8.518 -9.294 1.00 32.22 H new ATOM 0 HE ARG A 67 6.678 8.530 -7.472 1.00 32.21 H new ATOM 0 HH11 ARG A 67 4.206 10.433 -9.138 1.00 65.11 H new ATOM 0 HH12 ARG A 67 4.734 11.958 -8.419 1.00 65.11 H new ATOM 0 HH21 ARG A 67 7.504 10.563 -6.770 1.00 32.32 H new ATOM 0 HH22 ARG A 67 6.573 12.028 -7.099 1.00 32.32 H new ATOM 1027 N ALA A 68 3.894 3.615 -9.473 1.00 61.43 N ATOM 1028 CA ALA A 68 3.034 2.962 -10.456 1.00 62.14 C ATOM 1029 C ALA A 68 2.296 1.764 -9.855 1.00 41.21 C ATOM 1030 O ALA A 68 1.086 1.644 -10.074 1.00 30.32 O ATOM 1031 CB ALA A 68 3.826 2.517 -11.682 1.00 43.02 C ATOM 0 H ALA A 68 4.887 3.604 -9.705 1.00 61.43 H new ATOM 0 HA ALA A 68 2.296 3.702 -10.766 1.00 62.14 H new ATOM 0 HB1 ALA A 68 3.155 2.035 -12.393 1.00 43.02 H new ATOM 0 HB2 ALA A 68 4.289 3.385 -12.151 1.00 43.02 H new ATOM 0 HB3 ALA A 68 4.600 1.812 -11.379 1.00 43.02 H new ATOM 1037 N LYS A 69 2.981 0.892 -9.094 1.00 43.45 N ATOM 1038 CA LYS A 69 2.316 -0.222 -8.410 1.00 34.12 C ATOM 1039 C LYS A 69 1.166 0.328 -7.571 1.00 42.42 C ATOM 1040 O LYS A 69 0.072 -0.232 -7.607 1.00 13.30 O ATOM 1041 CB LYS A 69 3.288 -1.029 -7.537 1.00 71.52 C ATOM 1042 CG LYS A 69 2.729 -2.419 -7.157 1.00 33.50 C ATOM 1043 CD LYS A 69 3.119 -3.526 -8.147 1.00 50.42 C ATOM 1044 CE LYS A 69 2.627 -4.893 -7.667 1.00 61.43 C ATOM 1045 NZ LYS A 69 1.345 -5.295 -8.268 1.00 22.53 N ATOM 0 H LYS A 69 3.988 0.940 -8.940 1.00 43.45 H new ATOM 0 HA LYS A 69 1.931 -0.909 -9.164 1.00 34.12 H new ATOM 0 HB2 LYS A 69 4.231 -1.153 -8.069 1.00 71.52 H new ATOM 0 HB3 LYS A 69 3.506 -0.468 -6.628 1.00 71.52 H new ATOM 0 HG2 LYS A 69 3.088 -2.687 -6.164 1.00 33.50 H new ATOM 0 HG3 LYS A 69 1.642 -2.361 -7.098 1.00 33.50 H new ATOM 0 HD2 LYS A 69 2.695 -3.307 -9.127 1.00 50.42 H new ATOM 0 HD3 LYS A 69 4.202 -3.547 -8.265 1.00 50.42 H new ATOM 0 HE2 LYS A 69 3.381 -5.645 -7.900 1.00 61.43 H new ATOM 0 HE3 LYS A 69 2.521 -4.873 -6.582 1.00 61.43 H new ATOM 0 HZ1 LYS A 69 1.068 -6.228 -7.902 1.00 22.53 H new ATOM 0 HZ2 LYS A 69 0.614 -4.597 -8.025 1.00 22.53 H new ATOM 0 HZ3 LYS A 69 1.447 -5.345 -9.302 1.00 22.53 H new ATOM 1059 N TYR A 70 1.417 1.385 -6.793 1.00 41.32 N ATOM 1060 CA TYR A 70 0.448 1.930 -5.850 1.00 2.12 C ATOM 1061 C TYR A 70 -0.760 2.551 -6.555 1.00 13.44 C ATOM 1062 O TYR A 70 -1.895 2.147 -6.301 1.00 50.33 O ATOM 1063 CB TYR A 70 1.139 2.930 -4.919 1.00 30.44 C ATOM 1064 CG TYR A 70 0.218 3.461 -3.844 1.00 74.21 C ATOM 1065 CD1 TYR A 70 -0.426 2.561 -2.971 1.00 43.22 C ATOM 1066 CD2 TYR A 70 -0.017 4.845 -3.732 1.00 45.32 C ATOM 1067 CE1 TYR A 70 -1.330 3.046 -2.016 1.00 52.11 C ATOM 1068 CE2 TYR A 70 -0.879 5.341 -2.742 1.00 3.23 C ATOM 1069 CZ TYR A 70 -1.545 4.436 -1.885 1.00 5.52 C ATOM 1070 OH TYR A 70 -2.429 4.905 -0.967 1.00 44.34 O ATOM 0 H TYR A 70 2.305 1.887 -6.803 1.00 41.32 H new ATOM 0 HA TYR A 70 0.056 1.108 -5.251 1.00 2.12 H new ATOM 0 HB2 TYR A 70 1.998 2.450 -4.451 1.00 30.44 H new ATOM 0 HB3 TYR A 70 1.522 3.764 -5.508 1.00 30.44 H new ATOM 0 HD1 TYR A 70 -0.224 1.502 -3.038 1.00 43.22 H new ATOM 0 HD2 TYR A 70 0.469 5.529 -4.412 1.00 45.32 H new ATOM 0 HE1 TYR A 70 -1.863 2.356 -1.379 1.00 52.11 H new ATOM 0 HE2 TYR A 70 -1.032 6.405 -2.636 1.00 3.23 H new ATOM 0 HH TYR A 70 -2.292 4.442 -0.114 1.00 44.34 H new ATOM 1080 N GLU A 71 -0.537 3.497 -7.470 1.00 2.14 N ATOM 1081 CA GLU A 71 -1.601 4.192 -8.193 1.00 44.43 C ATOM 1082 C GLU A 71 -2.489 3.186 -8.936 1.00 11.43 C ATOM 1083 O GLU A 71 -3.717 3.311 -8.958 1.00 24.42 O ATOM 1084 CB GLU A 71 -0.986 5.180 -9.198 1.00 43.44 C ATOM 1085 CG GLU A 71 -0.276 6.386 -8.567 1.00 24.30 C ATOM 1086 CD GLU A 71 -1.236 7.430 -7.992 1.00 32.42 C ATOM 1087 OE1 GLU A 71 -2.181 7.859 -8.686 1.00 62.15 O ATOM 1088 OE2 GLU A 71 -0.973 7.924 -6.869 1.00 1.42 O ATOM 0 H GLU A 71 0.400 3.805 -7.732 1.00 2.14 H new ATOM 0 HA GLU A 71 -2.213 4.737 -7.475 1.00 44.43 H new ATOM 0 HB2 GLU A 71 -0.272 4.643 -9.823 1.00 43.44 H new ATOM 0 HB3 GLU A 71 -1.775 5.545 -9.856 1.00 43.44 H new ATOM 0 HG2 GLU A 71 0.383 6.035 -7.773 1.00 24.30 H new ATOM 0 HG3 GLU A 71 0.355 6.860 -9.319 1.00 24.30 H new ATOM 1095 N GLY A 72 -1.878 2.160 -9.531 1.00 63.33 N ATOM 1096 CA GLY A 72 -2.599 1.150 -10.291 1.00 44.33 C ATOM 1097 C GLY A 72 -3.484 0.268 -9.401 1.00 14.44 C ATOM 1098 O GLY A 72 -4.413 -0.380 -9.891 1.00 11.01 O ATOM 0 H GLY A 72 -0.870 2.010 -9.497 1.00 63.33 H new ATOM 0 HA2 GLY A 72 -3.218 1.639 -11.043 1.00 44.33 H new ATOM 0 HA3 GLY A 72 -1.885 0.522 -10.824 1.00 44.33 H new ATOM 1102 N LEU A 73 -3.244 0.254 -8.086 1.00 10.44 N ATOM 1103 CA LEU A 73 -3.960 -0.573 -7.129 1.00 30.42 C ATOM 1104 C LEU A 73 -5.297 0.011 -6.722 1.00 65.11 C ATOM 1105 O LEU A 73 -6.061 -0.709 -6.087 1.00 31.40 O ATOM 1106 CB LEU A 73 -3.137 -0.754 -5.845 1.00 70.15 C ATOM 1107 CG LEU A 73 -3.114 -2.183 -5.280 1.00 44.11 C ATOM 1108 CD1 LEU A 73 -2.617 -3.240 -6.279 1.00 31.54 C ATOM 1109 CD2 LEU A 73 -2.128 -2.147 -4.109 1.00 74.22 C ATOM 0 H LEU A 73 -2.526 0.835 -7.654 1.00 10.44 H new ATOM 0 HA LEU A 73 -4.126 -1.524 -7.636 1.00 30.42 H new ATOM 0 HB2 LEU A 73 -2.112 -0.442 -6.042 1.00 70.15 H new ATOM 0 HB3 LEU A 73 -3.533 -0.085 -5.081 1.00 70.15 H new ATOM 0 HG LEU A 73 -4.131 -2.467 -5.010 1.00 44.11 H new ATOM 0 HD11 LEU A 73 -2.630 -4.222 -5.806 1.00 31.54 H new ATOM 0 HD12 LEU A 73 -3.268 -3.249 -7.153 1.00 31.54 H new ATOM 0 HD13 LEU A 73 -1.600 -2.999 -6.588 1.00 31.54 H new ATOM 0 HD21 LEU A 73 -2.062 -3.137 -3.658 1.00 74.22 H new ATOM 0 HD22 LEU A 73 -1.144 -1.847 -4.471 1.00 74.22 H new ATOM 0 HD23 LEU A 73 -2.474 -1.431 -3.364 1.00 74.22 H new ATOM 1121 N MET A 74 -5.604 1.275 -7.038 1.00 52.45 N ATOM 1122 CA MET A 74 -6.890 1.862 -6.660 1.00 64.34 C ATOM 1123 C MET A 74 -8.026 0.967 -7.161 1.00 61.05 C ATOM 1124 O MET A 74 -8.929 0.620 -6.396 1.00 23.00 O ATOM 1125 CB MET A 74 -7.005 3.299 -7.188 1.00 5.43 C ATOM 1126 CG MET A 74 -8.358 3.908 -6.799 1.00 54.42 C ATOM 1127 SD MET A 74 -8.585 5.639 -7.268 1.00 72.14 S ATOM 1128 CE MET A 74 -7.691 6.462 -5.929 1.00 22.10 C ATOM 0 H MET A 74 -4.985 1.904 -7.549 1.00 52.45 H new ATOM 0 HA MET A 74 -6.962 1.920 -5.574 1.00 64.34 H new ATOM 0 HB2 MET A 74 -6.196 3.907 -6.783 1.00 5.43 H new ATOM 0 HB3 MET A 74 -6.896 3.304 -8.272 1.00 5.43 H new ATOM 0 HG2 MET A 74 -9.150 3.317 -7.258 1.00 54.42 H new ATOM 0 HG3 MET A 74 -8.481 3.821 -5.719 1.00 54.42 H new ATOM 0 HE1 MET A 74 -7.142 7.315 -6.328 1.00 22.10 H new ATOM 0 HE2 MET A 74 -8.400 6.807 -5.176 1.00 22.10 H new ATOM 0 HE3 MET A 74 -6.991 5.761 -5.474 1.00 22.10 H new ATOM 1138 N ALA A 75 -7.941 0.530 -8.422 1.00 45.34 N ATOM 1139 CA ALA A 75 -8.921 -0.376 -8.986 1.00 74.04 C ATOM 1140 C ALA A 75 -8.968 -1.697 -8.221 1.00 5.43 C ATOM 1141 O ALA A 75 -10.064 -2.138 -7.894 1.00 24.43 O ATOM 1142 CB ALA A 75 -8.624 -0.636 -10.461 1.00 11.34 C ATOM 0 H ALA A 75 -7.196 0.796 -9.066 1.00 45.34 H new ATOM 0 HA ALA A 75 -9.897 0.100 -8.898 1.00 74.04 H new ATOM 0 HB1 ALA A 75 -9.370 -1.319 -10.868 1.00 11.34 H new ATOM 0 HB2 ALA A 75 -8.656 0.305 -11.010 1.00 11.34 H new ATOM 0 HB3 ALA A 75 -7.634 -1.081 -10.560 1.00 11.34 H new ATOM 1148 N VAL A 76 -7.815 -2.319 -7.947 1.00 41.43 N ATOM 1149 CA VAL A 76 -7.739 -3.662 -7.364 1.00 21.23 C ATOM 1150 C VAL A 76 -8.260 -3.640 -5.923 1.00 25.02 C ATOM 1151 O VAL A 76 -9.028 -4.506 -5.506 1.00 22.21 O ATOM 1152 CB VAL A 76 -6.289 -4.198 -7.417 1.00 44.14 C ATOM 1153 CG1 VAL A 76 -6.252 -5.699 -7.094 1.00 64.21 C ATOM 1154 CG2 VAL A 76 -5.610 -3.979 -8.783 1.00 62.44 C ATOM 0 H VAL A 76 -6.902 -1.900 -8.125 1.00 41.43 H new ATOM 0 HA VAL A 76 -8.367 -4.334 -7.949 1.00 21.23 H new ATOM 0 HB VAL A 76 -5.738 -3.628 -6.669 1.00 44.14 H new ATOM 0 HG11 VAL A 76 -5.223 -6.055 -7.137 1.00 64.21 H new ATOM 0 HG12 VAL A 76 -6.652 -5.866 -6.094 1.00 64.21 H new ATOM 0 HG13 VAL A 76 -6.855 -6.243 -7.822 1.00 64.21 H new ATOM 0 HG21 VAL A 76 -4.596 -4.377 -8.753 1.00 62.44 H new ATOM 0 HG22 VAL A 76 -6.179 -4.492 -9.558 1.00 62.44 H new ATOM 0 HG23 VAL A 76 -5.575 -2.912 -9.005 1.00 62.44 H new ATOM 1164 N ALA A 77 -7.890 -2.613 -5.158 1.00 41.41 N ATOM 1165 CA ALA A 77 -8.323 -2.414 -3.785 1.00 52.13 C ATOM 1166 C ALA A 77 -9.847 -2.403 -3.718 1.00 42.42 C ATOM 1167 O ALA A 77 -10.457 -3.037 -2.860 1.00 13.54 O ATOM 1168 CB ALA A 77 -7.765 -1.084 -3.278 1.00 3.53 C ATOM 0 H ALA A 77 -7.264 -1.880 -5.490 1.00 41.41 H new ATOM 0 HA ALA A 77 -7.954 -3.227 -3.160 1.00 52.13 H new ATOM 0 HB1 ALA A 77 -8.084 -0.925 -2.248 1.00 3.53 H new ATOM 0 HB2 ALA A 77 -6.676 -1.106 -3.321 1.00 3.53 H new ATOM 0 HB3 ALA A 77 -8.137 -0.272 -3.903 1.00 3.53 H new ATOM 1174 N LYS A 78 -10.446 -1.673 -4.658 1.00 12.24 N ATOM 1175 CA LYS A 78 -11.881 -1.502 -4.798 1.00 5.24 C ATOM 1176 C LYS A 78 -12.518 -2.572 -5.697 1.00 53.31 C ATOM 1177 O LYS A 78 -13.714 -2.490 -6.002 1.00 1.41 O ATOM 1178 CB LYS A 78 -12.148 -0.164 -5.466 1.00 10.51 C ATOM 1179 CG LYS A 78 -11.790 1.078 -4.640 1.00 3.30 C ATOM 1180 CD LYS A 78 -11.906 2.311 -5.541 1.00 54.14 C ATOM 1181 CE LYS A 78 -13.320 2.484 -6.127 1.00 65.02 C ATOM 1182 NZ LYS A 78 -13.298 3.421 -7.266 1.00 63.14 N ATOM 0 H LYS A 78 -9.918 -1.166 -5.369 1.00 12.24 H new ATOM 0 HA LYS A 78 -12.309 -1.573 -3.798 1.00 5.24 H new ATOM 0 HB2 LYS A 78 -11.589 -0.128 -6.401 1.00 10.51 H new ATOM 0 HB3 LYS A 78 -13.206 -0.113 -5.724 1.00 10.51 H new ATOM 0 HG2 LYS A 78 -12.459 1.170 -3.785 1.00 3.30 H new ATOM 0 HG3 LYS A 78 -10.778 0.991 -4.245 1.00 3.30 H new ATOM 0 HD2 LYS A 78 -11.642 3.201 -4.969 1.00 54.14 H new ATOM 0 HD3 LYS A 78 -11.186 2.230 -6.356 1.00 54.14 H new ATOM 0 HE2 LYS A 78 -13.706 1.518 -6.451 1.00 65.02 H new ATOM 0 HE3 LYS A 78 -13.996 2.855 -5.357 1.00 65.02 H new ATOM 0 HZ1 LYS A 78 -14.260 3.525 -7.648 1.00 63.14 H new ATOM 0 HZ2 LYS A 78 -12.950 4.348 -6.947 1.00 63.14 H new ATOM 0 HZ3 LYS A 78 -12.669 3.052 -8.007 1.00 63.14 H new ATOM 1196 N ALA A 79 -11.770 -3.561 -6.151 1.00 34.00 N ATOM 1197 CA ALA A 79 -12.377 -4.831 -6.484 1.00 52.13 C ATOM 1198 C ALA A 79 -12.737 -5.497 -5.159 1.00 65.12 C ATOM 1199 O ALA A 79 -13.910 -5.741 -4.877 1.00 64.44 O ATOM 1200 CB ALA A 79 -11.423 -5.677 -7.326 1.00 33.04 C ATOM 0 H ALA A 79 -10.761 -3.510 -6.295 1.00 34.00 H new ATOM 0 HA ALA A 79 -13.274 -4.707 -7.091 1.00 52.13 H new ATOM 0 HB1 ALA A 79 -11.897 -6.629 -7.567 1.00 33.04 H new ATOM 0 HB2 ALA A 79 -11.184 -5.147 -8.248 1.00 33.04 H new ATOM 0 HB3 ALA A 79 -10.507 -5.860 -6.765 1.00 33.04 H new ATOM 1206 N GLN A 80 -11.715 -5.747 -4.335 1.00 72.24 N ATOM 1207 CA GLN A 80 -11.829 -6.706 -3.246 1.00 10.44 C ATOM 1208 C GLN A 80 -12.837 -6.282 -2.178 1.00 2.34 C ATOM 1209 O GLN A 80 -13.487 -7.142 -1.614 1.00 61.02 O ATOM 1210 CB GLN A 80 -10.455 -6.939 -2.600 1.00 74.15 C ATOM 1211 CG GLN A 80 -9.533 -7.793 -3.489 1.00 2.13 C ATOM 1212 CD GLN A 80 -8.183 -8.103 -2.838 1.00 44.12 C ATOM 1213 OE1 GLN A 80 -7.864 -7.662 -1.737 1.00 44.42 O ATOM 1214 NE2 GLN A 80 -7.323 -8.844 -3.514 1.00 61.01 N ATOM 0 H GLN A 80 -10.803 -5.296 -4.406 1.00 72.24 H new ATOM 0 HA GLN A 80 -12.199 -7.633 -3.684 1.00 10.44 H new ATOM 0 HB2 GLN A 80 -9.980 -5.978 -2.404 1.00 74.15 H new ATOM 0 HB3 GLN A 80 -10.587 -7.432 -1.637 1.00 74.15 H new ATOM 0 HG2 GLN A 80 -10.037 -8.729 -3.729 1.00 2.13 H new ATOM 0 HG3 GLN A 80 -9.363 -7.272 -4.431 1.00 2.13 H new ATOM 0 HE21 GLN A 80 -7.578 -9.215 -4.429 1.00 61.01 H new ATOM 0 HE22 GLN A 80 -6.404 -9.045 -3.121 1.00 61.01 H new ATOM 1223 N LEU A 81 -12.985 -4.993 -1.866 1.00 71.05 N ATOM 1224 CA LEU A 81 -13.642 -4.542 -0.646 1.00 14.44 C ATOM 1225 C LEU A 81 -15.159 -4.725 -0.846 1.00 44.14 C ATOM 1226 O LEU A 81 -15.901 -4.983 0.095 1.00 21.14 O ATOM 1227 CB LEU A 81 -13.222 -3.070 -0.385 1.00 3.23 C ATOM 1228 CG LEU A 81 -14.245 -1.935 -0.575 1.00 23.13 C ATOM 1229 CD1 LEU A 81 -14.989 -1.730 0.739 1.00 72.34 C ATOM 1230 CD2 LEU A 81 -13.596 -0.599 -0.950 1.00 34.03 C ATOM 0 H LEU A 81 -12.650 -4.233 -2.457 1.00 71.05 H new ATOM 0 HA LEU A 81 -13.352 -5.115 0.235 1.00 14.44 H new ATOM 0 HB2 LEU A 81 -12.860 -3.013 0.642 1.00 3.23 H new ATOM 0 HB3 LEU A 81 -12.373 -2.854 -1.034 1.00 3.23 H new ATOM 0 HG LEU A 81 -14.905 -2.232 -1.390 1.00 23.13 H new ATOM 0 HD11 LEU A 81 -15.719 -0.929 0.623 1.00 72.34 H new ATOM 0 HD12 LEU A 81 -15.503 -2.651 1.014 1.00 72.34 H new ATOM 0 HD13 LEU A 81 -14.279 -1.463 1.522 1.00 72.34 H new ATOM 0 HD21 LEU A 81 -14.369 0.160 -1.070 1.00 34.03 H new ATOM 0 HD22 LEU A 81 -12.908 -0.295 -0.161 1.00 34.03 H new ATOM 0 HD23 LEU A 81 -13.049 -0.710 -1.886 1.00 34.03 H new ATOM 1242 N MET A 82 -15.608 -4.577 -2.095 1.00 43.34 N ATOM 1243 CA MET A 82 -16.974 -4.769 -2.555 1.00 23.44 C ATOM 1244 C MET A 82 -17.240 -6.270 -2.623 1.00 72.34 C ATOM 1245 O MET A 82 -18.266 -6.725 -2.117 1.00 31.24 O ATOM 1246 CB MET A 82 -17.189 -4.117 -3.938 1.00 74.14 C ATOM 1247 CG MET A 82 -17.309 -2.582 -3.882 1.00 72.02 C ATOM 1248 SD MET A 82 -18.985 -1.947 -4.103 1.00 34.13 S ATOM 1249 CE MET A 82 -18.647 -0.178 -3.900 1.00 25.14 C ATOM 0 H MET A 82 -14.984 -4.303 -2.854 1.00 43.34 H new ATOM 0 HA MET A 82 -17.668 -4.293 -1.863 1.00 23.44 H new ATOM 0 HB2 MET A 82 -16.358 -4.385 -4.590 1.00 74.14 H new ATOM 0 HB3 MET A 82 -18.093 -4.528 -4.388 1.00 74.14 H new ATOM 0 HG2 MET A 82 -16.928 -2.236 -2.921 1.00 72.02 H new ATOM 0 HG3 MET A 82 -16.668 -2.153 -4.652 1.00 72.02 H new ATOM 0 HE1 MET A 82 -19.575 0.384 -4.005 1.00 25.14 H new ATOM 0 HE2 MET A 82 -18.224 0.001 -2.911 1.00 25.14 H new ATOM 0 HE3 MET A 82 -17.938 0.147 -4.662 1.00 25.14 H new ATOM 1259 N ASP A 83 -16.328 -7.020 -3.243 1.00 62.03 N ATOM 1260 CA ASP A 83 -16.445 -8.464 -3.397 1.00 24.11 C ATOM 1261 C ASP A 83 -16.547 -9.149 -2.032 1.00 71.31 C ATOM 1262 O ASP A 83 -17.367 -10.052 -1.860 1.00 24.11 O ATOM 1263 CB ASP A 83 -15.248 -8.995 -4.204 1.00 71.22 C ATOM 1264 CG ASP A 83 -15.496 -10.385 -4.792 1.00 54.35 C ATOM 1265 OD1 ASP A 83 -16.556 -10.586 -5.422 1.00 12.30 O ATOM 1266 OD2 ASP A 83 -14.565 -11.224 -4.809 1.00 11.32 O ATOM 0 H ASP A 83 -15.479 -6.634 -3.656 1.00 62.03 H new ATOM 0 HA ASP A 83 -17.360 -8.693 -3.943 1.00 24.11 H new ATOM 0 HB2 ASP A 83 -15.024 -8.299 -5.012 1.00 71.22 H new ATOM 0 HB3 ASP A 83 -14.369 -9.030 -3.560 1.00 71.22 H new ATOM 1271 N GLU A 84 -15.749 -8.696 -1.058 1.00 11.12 N ATOM 1272 CA GLU A 84 -15.659 -9.296 0.276 1.00 14.22 C ATOM 1273 C GLU A 84 -16.875 -9.009 1.164 1.00 2.22 C ATOM 1274 O GLU A 84 -17.100 -9.770 2.104 1.00 4.54 O ATOM 1275 CB GLU A 84 -14.385 -8.787 0.970 1.00 1.33 C ATOM 1276 CG GLU A 84 -13.113 -9.467 0.434 1.00 51.54 C ATOM 1277 CD GLU A 84 -12.575 -10.550 1.377 1.00 5.31 C ATOM 1278 OE1 GLU A 84 -13.249 -11.580 1.599 1.00 42.33 O ATOM 1279 OE2 GLU A 84 -11.446 -10.365 1.905 1.00 1.30 O ATOM 0 H GLU A 84 -15.138 -7.888 -1.178 1.00 11.12 H new ATOM 0 HA GLU A 84 -15.629 -10.377 0.136 1.00 14.22 H new ATOM 0 HB2 GLU A 84 -14.304 -7.709 0.830 1.00 1.33 H new ATOM 0 HB3 GLU A 84 -14.464 -8.964 2.043 1.00 1.33 H new ATOM 0 HG2 GLU A 84 -13.326 -9.912 -0.538 1.00 51.54 H new ATOM 0 HG3 GLU A 84 -12.342 -8.713 0.277 1.00 51.54 H new ATOM 1286 N LEU A 85 -17.656 -7.962 0.862 1.00 11.23 N ATOM 1287 CA LEU A 85 -18.723 -7.381 1.688 1.00 45.44 C ATOM 1288 C LEU A 85 -18.202 -7.021 3.074 1.00 34.01 C ATOM 1289 O LEU A 85 -17.854 -5.833 3.264 1.00 44.12 O ATOM 1290 CB LEU A 85 -19.963 -8.293 1.669 1.00 50.52 C ATOM 1291 CG LEU A 85 -21.239 -7.710 2.308 1.00 30.32 C ATOM 1292 CD1 LEU A 85 -22.421 -8.609 1.932 1.00 30.02 C ATOM 1293 CD2 LEU A 85 -21.209 -7.618 3.838 1.00 4.53 C ATOM 0 H LEU A 85 -17.552 -7.467 -0.024 1.00 11.23 H new ATOM 0 HA LEU A 85 -19.054 -6.433 1.265 1.00 45.44 H new ATOM 0 HB2 LEU A 85 -20.184 -8.551 0.633 1.00 50.52 H new ATOM 0 HB3 LEU A 85 -19.715 -9.222 2.183 1.00 50.52 H new ATOM 0 HG LEU A 85 -21.324 -6.692 1.928 1.00 30.32 H new ATOM 0 HD11 LEU A 85 -23.335 -8.213 2.375 1.00 30.02 H new ATOM 0 HD12 LEU A 85 -22.526 -8.637 0.847 1.00 30.02 H new ATOM 0 HD13 LEU A 85 -22.244 -9.618 2.305 1.00 30.02 H new ATOM 0 HD21 LEU A 85 -22.148 -7.196 4.196 1.00 4.53 H new ATOM 0 HD22 LEU A 85 -21.074 -8.614 4.260 1.00 4.53 H new ATOM 0 HD23 LEU A 85 -20.383 -6.978 4.148 1.00 4.53 H new TER 1305 LEU A 85