USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 762 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 93 THR OG1 : rot 180:sc= 0.963 USER MOD Set 1.2: A 106 GLN : amide:sc= 0.867 X(o=1.8,f=2.1) USER MOD Single : A 48 SER OG : rot 31:sc= 0.197 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0288) USER MOD Single : A 54 MET CE :methyl -140:sc= -0.216 (180deg=-0.987) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.308 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.58) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.08) USER MOD Single : A 64 ASN : amide:sc= -1.68! C(o=-1.7!,f=-7.2!) USER MOD Single : A 65 THR OG1 : rot 178:sc= -0.119 USER MOD Single : A 68 MET CE :methyl -156:sc= -0.254 (180deg=-1.14) USER MOD Single : A 70 ASN : amide:sc= -0.341! X(o=-0.34!,f=-0.81) USER MOD Single : A 74 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=-0.013) USER MOD Single : A 78 TYR OH : rot 15:sc= -2.69! USER MOD Single : A 79 LYS NZ :NH3+ -119:sc= 0.522 (180deg=0.156) USER MOD Single : A 82 SER OG : rot -13:sc= 0.784 USER MOD Single : A 83 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.8) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-0.63) USER MOD Single : A 95 SER OG : rot 170:sc=-0.00405 USER MOD Single : A 101 GLN : amide:sc= -1.13! X(o=-1.1!,f=-0.79) USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= 0.209 (180deg=0.00606) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -16:sc= 0.555 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 156:sc= 0.367 USER MOD Single : A 124 SER OG : rot -37:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0.0798 K(o=0.08,f=-1.7) USER MOD Single : A 129 LYS NZ :NH3+ 168:sc= -0.0452 (180deg=-0.286) USER MOD Single : A 135 SER OG : rot 180:sc= -0.057 USER MOD Single : A 138 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0153) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 48 22.582 -10.274 -11.989 1.00 35.32 N ATOM 2 CA SER A 48 21.515 -10.926 -11.202 1.00 31.34 C ATOM 3 C SER A 48 21.724 -12.434 -11.179 1.00 41.50 C ATOM 4 O SER A 48 21.394 -13.134 -12.138 1.00 11.55 O ATOM 5 CB SER A 48 20.148 -10.595 -11.804 1.00 62.20 C ATOM 6 OG SER A 48 20.005 -9.197 -12.011 1.00 61.20 O ATOM 0 HA SER A 48 21.553 -10.552 -10.179 1.00 31.34 H new ATOM 0 HB2 SER A 48 20.028 -11.120 -12.752 1.00 62.20 H new ATOM 0 HB3 SER A 48 19.359 -10.950 -11.140 1.00 62.20 H new ATOM 0 HG SER A 48 20.882 -8.803 -12.200 1.00 61.20 H new ATOM 12 N ASP A 49 22.289 -12.930 -10.092 1.00 62.32 N ATOM 13 CA ASP A 49 22.556 -14.351 -9.960 1.00 34.53 C ATOM 14 C ASP A 49 21.645 -14.953 -8.902 1.00 71.32 C ATOM 15 O ASP A 49 21.049 -14.217 -8.111 1.00 3.30 O ATOM 16 CB ASP A 49 24.027 -14.593 -9.601 1.00 72.42 C ATOM 17 CG ASP A 49 24.965 -14.259 -10.741 1.00 70.23 C ATOM 18 OD1 ASP A 49 24.960 -14.979 -11.758 1.00 35.12 O ATOM 19 OD2 ASP A 49 25.726 -13.277 -10.624 1.00 71.12 O ATOM 0 H ASP A 49 22.572 -12.369 -9.288 1.00 62.32 H new ATOM 0 HA ASP A 49 22.355 -14.835 -10.916 1.00 34.53 H new ATOM 0 HB2 ASP A 49 24.289 -13.991 -8.731 1.00 72.42 H new ATOM 0 HB3 ASP A 49 24.162 -15.637 -9.318 1.00 72.42 H new ATOM 24 N PRO A 50 21.516 -16.293 -8.869 1.00 32.11 N ATOM 25 CA PRO A 50 20.676 -16.999 -7.889 1.00 31.02 C ATOM 26 C PRO A 50 21.269 -16.981 -6.478 1.00 21.41 C ATOM 27 O PRO A 50 21.166 -17.959 -5.738 1.00 32.25 O ATOM 28 CB PRO A 50 20.620 -18.442 -8.422 1.00 44.44 C ATOM 29 CG PRO A 50 21.200 -18.388 -9.797 1.00 21.23 C ATOM 30 CD PRO A 50 22.152 -17.232 -9.800 1.00 3.22 C ATOM 0 HA PRO A 50 19.699 -16.526 -7.793 1.00 31.02 H new ATOM 0 HB2 PRO A 50 21.189 -19.118 -7.783 1.00 44.44 H new ATOM 0 HB3 PRO A 50 19.595 -18.812 -8.444 1.00 44.44 H new ATOM 0 HG2 PRO A 50 21.715 -19.318 -10.040 1.00 21.23 H new ATOM 0 HG3 PRO A 50 20.419 -18.252 -10.545 1.00 21.23 H new ATOM 0 HD2 PRO A 50 23.147 -17.525 -9.464 1.00 3.22 H new ATOM 0 HD3 PRO A 50 22.265 -16.802 -10.795 1.00 3.22 H new ATOM 38 N LYS A 51 21.864 -15.858 -6.103 1.00 24.43 N ATOM 39 CA LYS A 51 22.441 -15.699 -4.777 1.00 41.25 C ATOM 40 C LYS A 51 21.348 -15.413 -3.755 1.00 62.03 C ATOM 41 O LYS A 51 21.152 -14.270 -3.341 1.00 13.15 O ATOM 42 CB LYS A 51 23.467 -14.566 -4.763 1.00 34.01 C ATOM 43 CG LYS A 51 24.700 -14.831 -5.612 1.00 11.34 C ATOM 44 CD LYS A 51 25.669 -13.662 -5.553 1.00 64.42 C ATOM 45 CE LYS A 51 26.115 -13.373 -4.127 1.00 52.41 C ATOM 46 NZ LYS A 51 27.089 -12.253 -4.063 1.00 32.53 N ATOM 0 H LYS A 51 21.960 -15.039 -6.703 1.00 24.43 H new ATOM 0 HA LYS A 51 22.944 -16.630 -4.514 1.00 41.25 H new ATOM 0 HB2 LYS A 51 22.987 -13.652 -5.114 1.00 34.01 H new ATOM 0 HB3 LYS A 51 23.780 -14.387 -3.734 1.00 34.01 H new ATOM 0 HG2 LYS A 51 25.197 -15.737 -5.264 1.00 11.34 H new ATOM 0 HG3 LYS A 51 24.402 -15.008 -6.645 1.00 11.34 H new ATOM 0 HD2 LYS A 51 26.541 -13.880 -6.170 1.00 64.42 H new ATOM 0 HD3 LYS A 51 25.195 -12.775 -5.973 1.00 64.42 H new ATOM 0 HE2 LYS A 51 25.244 -13.131 -3.517 1.00 52.41 H new ATOM 0 HE3 LYS A 51 26.565 -14.269 -3.699 1.00 52.41 H new ATOM 0 HZ1 LYS A 51 27.366 -12.090 -3.074 1.00 32.53 H new ATOM 0 HZ2 LYS A 51 27.931 -12.493 -4.624 1.00 32.53 H new ATOM 0 HZ3 LYS A 51 26.652 -11.391 -4.447 1.00 32.53 H new ATOM 60 N LYS A 52 20.623 -16.454 -3.376 1.00 35.32 N ATOM 61 CA LYS A 52 19.535 -16.324 -2.424 1.00 52.13 C ATOM 62 C LYS A 52 20.096 -16.087 -1.028 1.00 74.44 C ATOM 63 O LYS A 52 20.865 -16.901 -0.508 1.00 62.12 O ATOM 64 CB LYS A 52 18.661 -17.582 -2.432 1.00 5.55 C ATOM 65 CG LYS A 52 18.278 -18.066 -3.825 1.00 41.35 C ATOM 66 CD LYS A 52 17.497 -17.021 -4.606 1.00 74.52 C ATOM 67 CE LYS A 52 17.138 -17.529 -5.993 1.00 12.44 C ATOM 68 NZ LYS A 52 16.415 -16.512 -6.798 1.00 41.24 N ATOM 0 H LYS A 52 20.771 -17.404 -3.717 1.00 35.32 H new ATOM 0 HA LYS A 52 18.918 -15.473 -2.712 1.00 52.13 H new ATOM 0 HB2 LYS A 52 19.190 -18.382 -1.914 1.00 5.55 H new ATOM 0 HB3 LYS A 52 17.751 -17.383 -1.866 1.00 5.55 H new ATOM 0 HG2 LYS A 52 19.181 -18.329 -4.377 1.00 41.35 H new ATOM 0 HG3 LYS A 52 17.681 -18.974 -3.740 1.00 41.35 H new ATOM 0 HD2 LYS A 52 16.588 -16.762 -4.064 1.00 74.52 H new ATOM 0 HD3 LYS A 52 18.088 -16.109 -4.691 1.00 74.52 H new ATOM 0 HE2 LYS A 52 18.048 -17.823 -6.516 1.00 12.44 H new ATOM 0 HE3 LYS A 52 16.520 -18.422 -5.901 1.00 12.44 H new ATOM 0 HZ1 LYS A 52 16.192 -16.905 -7.735 1.00 41.24 H new ATOM 0 HZ2 LYS A 52 15.533 -16.249 -6.314 1.00 41.24 H new ATOM 0 HZ3 LYS A 52 17.013 -15.669 -6.910 1.00 41.24 H new ATOM 82 N LYS A 53 19.723 -14.967 -0.433 1.00 44.51 N ATOM 83 CA LYS A 53 20.219 -14.607 0.880 1.00 51.25 C ATOM 84 C LYS A 53 19.138 -14.831 1.930 1.00 12.33 C ATOM 85 O LYS A 53 18.024 -14.326 1.801 1.00 73.34 O ATOM 86 CB LYS A 53 20.664 -13.142 0.896 1.00 4.23 C ATOM 87 CG LYS A 53 21.422 -12.751 2.152 1.00 70.52 C ATOM 88 CD LYS A 53 22.802 -13.391 2.192 1.00 15.15 C ATOM 89 CE LYS A 53 23.542 -13.040 3.471 1.00 34.22 C ATOM 90 NZ LYS A 53 22.969 -13.732 4.659 1.00 21.42 N ATOM 0 H LYS A 53 19.077 -14.291 -0.841 1.00 44.51 H new ATOM 0 HA LYS A 53 21.076 -15.239 1.113 1.00 51.25 H new ATOM 0 HB2 LYS A 53 21.295 -12.953 0.027 1.00 4.23 H new ATOM 0 HB3 LYS A 53 19.786 -12.503 0.798 1.00 4.23 H new ATOM 0 HG2 LYS A 53 21.521 -11.666 2.196 1.00 70.52 H new ATOM 0 HG3 LYS A 53 20.853 -13.055 3.031 1.00 70.52 H new ATOM 0 HD2 LYS A 53 22.704 -14.474 2.112 1.00 15.15 H new ATOM 0 HD3 LYS A 53 23.383 -13.059 1.332 1.00 15.15 H new ATOM 0 HE2 LYS A 53 24.593 -13.310 3.367 1.00 34.22 H new ATOM 0 HE3 LYS A 53 23.504 -11.962 3.627 1.00 34.22 H new ATOM 0 HZ1 LYS A 53 23.555 -13.531 5.494 1.00 21.42 H new ATOM 0 HZ2 LYS A 53 22.001 -13.391 4.825 1.00 21.42 H new ATOM 0 HZ3 LYS A 53 22.951 -14.758 4.488 1.00 21.42 H new ATOM 104 N MET A 54 19.467 -15.596 2.960 1.00 31.32 N ATOM 105 CA MET A 54 18.528 -15.865 4.038 1.00 45.01 C ATOM 106 C MET A 54 19.115 -15.385 5.359 1.00 74.23 C ATOM 107 O MET A 54 20.280 -15.648 5.668 1.00 14.40 O ATOM 108 CB MET A 54 18.195 -17.365 4.095 1.00 24.43 C ATOM 109 CG MET A 54 16.956 -17.710 4.917 1.00 21.25 C ATOM 110 SD MET A 54 17.208 -17.583 6.702 1.00 24.51 S ATOM 111 CE MET A 54 18.498 -18.805 6.950 1.00 42.11 C ATOM 0 H MET A 54 20.378 -16.042 3.072 1.00 31.32 H new ATOM 0 HA MET A 54 17.601 -15.323 3.852 1.00 45.01 H new ATOM 0 HB2 MET A 54 18.054 -17.731 3.078 1.00 24.43 H new ATOM 0 HB3 MET A 54 19.050 -17.898 4.510 1.00 24.43 H new ATOM 0 HG2 MET A 54 16.142 -17.046 4.626 1.00 21.25 H new ATOM 0 HG3 MET A 54 16.642 -18.725 4.675 1.00 21.25 H new ATOM 0 HE1 MET A 54 18.303 -19.358 7.869 1.00 42.11 H new ATOM 0 HE2 MET A 54 18.512 -19.496 6.107 1.00 42.11 H new ATOM 0 HE3 MET A 54 19.463 -18.305 7.025 1.00 42.11 H new ATOM 121 N CYS A 55 18.315 -14.655 6.116 1.00 50.13 N ATOM 122 CA CYS A 55 18.728 -14.135 7.410 1.00 10.42 C ATOM 123 C CYS A 55 17.495 -13.680 8.177 1.00 63.12 C ATOM 124 O CYS A 55 16.417 -13.546 7.591 1.00 33.51 O ATOM 125 CB CYS A 55 19.708 -12.970 7.224 1.00 13.10 C ATOM 126 SG CYS A 55 20.414 -12.323 8.756 1.00 43.34 S ATOM 0 H CYS A 55 17.362 -14.406 5.853 1.00 50.13 H new ATOM 0 HA CYS A 55 19.236 -14.917 7.975 1.00 10.42 H new ATOM 0 HB2 CYS A 55 20.521 -13.297 6.576 1.00 13.10 H new ATOM 0 HB3 CYS A 55 19.194 -12.160 6.707 1.00 13.10 H new ATOM 0 HG CYS A 55 21.227 -11.346 8.481 1.00 43.34 H new ATOM 132 N LYS A 56 17.640 -13.449 9.473 1.00 43.24 N ATOM 133 CA LYS A 56 16.518 -13.009 10.287 1.00 52.33 C ATOM 134 C LYS A 56 16.824 -11.671 10.956 1.00 55.02 C ATOM 135 O LYS A 56 17.874 -11.489 11.576 1.00 63.51 O ATOM 136 CB LYS A 56 16.132 -14.066 11.343 1.00 64.15 C ATOM 137 CG LYS A 56 17.111 -14.215 12.507 1.00 14.12 C ATOM 138 CD LYS A 56 18.411 -14.891 12.095 1.00 22.14 C ATOM 139 CE LYS A 56 18.178 -16.311 11.614 1.00 61.51 C ATOM 140 NZ LYS A 56 19.455 -17.029 11.369 1.00 0.32 N ATOM 0 H LYS A 56 18.518 -13.558 9.981 1.00 43.24 H new ATOM 0 HA LYS A 56 15.665 -12.878 9.622 1.00 52.33 H new ATOM 0 HB2 LYS A 56 15.151 -13.812 11.745 1.00 64.15 H new ATOM 0 HB3 LYS A 56 16.033 -15.032 10.847 1.00 64.15 H new ATOM 0 HG2 LYS A 56 17.332 -13.230 12.919 1.00 14.12 H new ATOM 0 HG3 LYS A 56 16.640 -14.794 13.301 1.00 14.12 H new ATOM 0 HD2 LYS A 56 18.887 -14.312 11.303 1.00 22.14 H new ATOM 0 HD3 LYS A 56 19.099 -14.901 12.940 1.00 22.14 H new ATOM 0 HE2 LYS A 56 17.593 -16.854 12.356 1.00 61.51 H new ATOM 0 HE3 LYS A 56 17.590 -16.292 10.696 1.00 61.51 H new ATOM 0 HZ1 LYS A 56 19.253 -17.995 11.042 1.00 0.32 H new ATOM 0 HZ2 LYS A 56 20.003 -16.525 10.643 1.00 0.32 H new ATOM 0 HZ3 LYS A 56 20.005 -17.070 12.251 1.00 0.32 H new ATOM 154 N GLU A 57 15.911 -10.729 10.792 1.00 25.11 N ATOM 155 CA GLU A 57 16.007 -9.433 11.445 1.00 51.41 C ATOM 156 C GLU A 57 14.669 -9.089 12.090 1.00 41.42 C ATOM 157 O GLU A 57 13.711 -9.852 11.973 1.00 52.22 O ATOM 158 CB GLU A 57 16.411 -8.350 10.440 1.00 13.41 C ATOM 159 CG GLU A 57 17.788 -8.565 9.835 1.00 73.34 C ATOM 160 CD GLU A 57 18.189 -7.457 8.885 1.00 2.24 C ATOM 161 OE1 GLU A 57 18.628 -6.391 9.364 1.00 42.43 O ATOM 162 OE2 GLU A 57 18.080 -7.650 7.655 1.00 62.15 O ATOM 0 H GLU A 57 15.084 -10.839 10.205 1.00 25.11 H new ATOM 0 HA GLU A 57 16.776 -9.480 12.216 1.00 51.41 H new ATOM 0 HB2 GLU A 57 15.673 -8.316 9.639 1.00 13.41 H new ATOM 0 HB3 GLU A 57 16.389 -7.379 10.936 1.00 13.41 H new ATOM 0 HG2 GLU A 57 18.525 -8.636 10.635 1.00 73.34 H new ATOM 0 HG3 GLU A 57 17.802 -9.516 9.303 1.00 73.34 H new ATOM 169 N ARG A 58 14.598 -7.956 12.769 1.00 42.52 N ATOM 170 CA ARG A 58 13.359 -7.540 13.410 1.00 52.22 C ATOM 171 C ARG A 58 12.532 -6.673 12.474 1.00 64.35 C ATOM 172 O ARG A 58 13.032 -5.702 11.899 1.00 63.53 O ATOM 173 CB ARG A 58 13.650 -6.793 14.713 1.00 12.40 C ATOM 174 CG ARG A 58 14.198 -7.690 15.814 1.00 52.33 C ATOM 175 CD ARG A 58 14.531 -6.902 17.070 1.00 51.40 C ATOM 176 NE ARG A 58 15.694 -6.037 16.882 1.00 41.11 N ATOM 177 CZ ARG A 58 16.064 -5.087 17.740 1.00 14.31 C ATOM 178 NH1 ARG A 58 15.320 -4.817 18.805 1.00 71.43 N ATOM 179 NH2 ARG A 58 17.174 -4.396 17.526 1.00 54.24 N ATOM 0 H ARG A 58 15.378 -7.310 12.891 1.00 42.52 H new ATOM 0 HA ARG A 58 12.783 -8.435 13.646 1.00 52.22 H new ATOM 0 HB2 ARG A 58 14.366 -5.996 14.514 1.00 12.40 H new ATOM 0 HB3 ARG A 58 12.734 -6.318 15.064 1.00 12.40 H new ATOM 0 HG2 ARG A 58 13.466 -8.462 16.052 1.00 52.33 H new ATOM 0 HG3 ARG A 58 15.093 -8.199 15.456 1.00 52.33 H new ATOM 0 HD2 ARG A 58 13.671 -6.296 17.356 1.00 51.40 H new ATOM 0 HD3 ARG A 58 14.722 -7.593 17.891 1.00 51.40 H new ATOM 0 HE ARG A 58 16.257 -6.169 16.042 1.00 41.11 H new ATOM 0 HH11 ARG A 58 14.459 -5.338 18.971 1.00 71.43 H new ATOM 0 HH12 ARG A 58 15.609 -4.088 19.458 1.00 71.43 H new ATOM 0 HH21 ARG A 58 17.746 -4.591 16.704 1.00 54.24 H new ATOM 0 HH22 ARG A 58 17.457 -3.669 18.183 1.00 54.24 H new ATOM 193 N ILE A 59 11.273 -7.042 12.306 1.00 34.10 N ATOM 194 CA ILE A 59 10.348 -6.278 11.484 1.00 54.11 C ATOM 195 C ILE A 59 9.255 -5.677 12.363 1.00 53.34 C ATOM 196 O ILE A 59 8.265 -6.339 12.682 1.00 71.04 O ATOM 197 CB ILE A 59 9.707 -7.154 10.382 1.00 70.41 C ATOM 198 CG1 ILE A 59 10.796 -7.779 9.504 1.00 54.35 C ATOM 199 CG2 ILE A 59 8.741 -6.333 9.533 1.00 65.10 C ATOM 200 CD1 ILE A 59 10.266 -8.730 8.451 1.00 0.21 C ATOM 0 H ILE A 59 10.865 -7.874 12.732 1.00 34.10 H new ATOM 0 HA ILE A 59 10.911 -5.483 10.995 1.00 54.11 H new ATOM 0 HB ILE A 59 9.142 -7.954 10.861 1.00 70.41 H new ATOM 0 HG12 ILE A 59 11.354 -6.982 9.012 1.00 54.35 H new ATOM 0 HG13 ILE A 59 11.500 -8.314 10.141 1.00 54.35 H new ATOM 0 HG21 ILE A 59 8.302 -6.969 8.764 1.00 65.10 H new ATOM 0 HG22 ILE A 59 7.951 -5.931 10.167 1.00 65.10 H new ATOM 0 HG23 ILE A 59 9.280 -5.512 9.060 1.00 65.10 H new ATOM 0 HD11 ILE A 59 11.097 -9.131 7.871 1.00 0.21 H new ATOM 0 HD12 ILE A 59 9.733 -9.549 8.935 1.00 0.21 H new ATOM 0 HD13 ILE A 59 9.585 -8.196 7.788 1.00 0.21 H new ATOM 212 N PRO A 60 9.446 -4.429 12.807 1.00 24.33 N ATOM 213 CA PRO A 60 8.510 -3.756 13.694 1.00 41.33 C ATOM 214 C PRO A 60 7.475 -2.911 12.953 1.00 71.22 C ATOM 215 O PRO A 60 7.707 -2.458 11.828 1.00 2.02 O ATOM 216 CB PRO A 60 9.438 -2.865 14.510 1.00 70.01 C ATOM 217 CG PRO A 60 10.544 -2.496 13.569 1.00 51.44 C ATOM 218 CD PRO A 60 10.607 -3.574 12.508 1.00 52.12 C ATOM 0 HA PRO A 60 7.912 -4.458 14.275 1.00 41.33 H new ATOM 0 HB2 PRO A 60 8.917 -1.979 14.874 1.00 70.01 H new ATOM 0 HB3 PRO A 60 9.822 -3.390 15.384 1.00 70.01 H new ATOM 0 HG2 PRO A 60 10.356 -1.522 13.117 1.00 51.44 H new ATOM 0 HG3 PRO A 60 11.493 -2.423 14.100 1.00 51.44 H new ATOM 0 HD2 PRO A 60 10.545 -3.152 11.505 1.00 52.12 H new ATOM 0 HD3 PRO A 60 11.541 -4.134 12.562 1.00 52.12 H new ATOM 226 N GLN A 61 6.331 -2.708 13.589 1.00 41.13 N ATOM 227 CA GLN A 61 5.297 -1.825 13.067 1.00 34.14 C ATOM 228 C GLN A 61 4.703 -0.983 14.189 1.00 62.31 C ATOM 229 O GLN A 61 3.731 -1.390 14.827 1.00 74.21 O ATOM 230 CB GLN A 61 4.187 -2.612 12.370 1.00 71.44 C ATOM 231 CG GLN A 61 4.596 -3.191 11.027 1.00 0.24 C ATOM 232 CD GLN A 61 3.427 -3.785 10.271 1.00 23.23 C ATOM 233 OE1 GLN A 61 3.398 -3.774 9.042 1.00 53.32 O ATOM 234 NE2 GLN A 61 2.454 -4.308 10.997 1.00 14.21 N ATOM 0 H GLN A 61 6.093 -3.148 14.478 1.00 41.13 H new ATOM 0 HA GLN A 61 5.765 -1.171 12.331 1.00 34.14 H new ATOM 0 HB2 GLN A 61 3.866 -3.424 13.022 1.00 71.44 H new ATOM 0 HB3 GLN A 61 3.326 -1.959 12.226 1.00 71.44 H new ATOM 0 HG2 GLN A 61 5.055 -2.409 10.423 1.00 0.24 H new ATOM 0 HG3 GLN A 61 5.353 -3.960 11.182 1.00 0.24 H new ATOM 0 HE21 GLN A 61 2.515 -4.298 12.015 1.00 14.21 H new ATOM 0 HE22 GLN A 61 1.642 -4.722 10.539 1.00 14.21 H new ATOM 243 N PRO A 62 5.305 0.182 14.476 1.00 73.20 N ATOM 244 CA PRO A 62 4.811 1.095 15.509 1.00 41.33 C ATOM 245 C PRO A 62 3.493 1.739 15.097 1.00 3.53 C ATOM 246 O PRO A 62 2.436 1.429 15.645 1.00 1.42 O ATOM 247 CB PRO A 62 5.915 2.158 15.632 1.00 34.54 C ATOM 248 CG PRO A 62 7.084 1.615 14.875 1.00 5.42 C ATOM 249 CD PRO A 62 6.514 0.701 13.828 1.00 54.13 C ATOM 0 HA PRO A 62 4.611 0.580 16.449 1.00 41.33 H new ATOM 0 HB2 PRO A 62 5.588 3.112 15.217 1.00 34.54 H new ATOM 0 HB3 PRO A 62 6.173 2.336 16.676 1.00 34.54 H new ATOM 0 HG2 PRO A 62 7.660 2.420 14.418 1.00 5.42 H new ATOM 0 HG3 PRO A 62 7.760 1.075 15.537 1.00 5.42 H new ATOM 0 HD2 PRO A 62 6.282 1.236 12.907 1.00 54.13 H new ATOM 0 HD3 PRO A 62 7.208 -0.098 13.567 1.00 54.13 H new ATOM 257 N LYS A 63 3.562 2.630 14.118 1.00 72.15 N ATOM 258 CA LYS A 63 2.374 3.230 13.545 1.00 65.24 C ATOM 259 C LYS A 63 2.458 3.148 12.026 1.00 21.44 C ATOM 260 O LYS A 63 2.976 4.049 11.365 1.00 32.12 O ATOM 261 CB LYS A 63 2.222 4.688 14.000 1.00 60.54 C ATOM 262 CG LYS A 63 0.970 5.392 13.479 1.00 3.31 C ATOM 263 CD LYS A 63 -0.272 5.098 14.321 1.00 5.01 C ATOM 264 CE LYS A 63 -0.771 3.671 14.150 1.00 32.13 C ATOM 265 NZ LYS A 63 -1.995 3.411 14.961 1.00 24.01 N ATOM 0 H LYS A 63 4.437 2.953 13.704 1.00 72.15 H new ATOM 0 HA LYS A 63 1.496 2.684 13.890 1.00 65.24 H new ATOM 0 HB2 LYS A 63 2.211 4.715 15.090 1.00 60.54 H new ATOM 0 HB3 LYS A 63 3.099 5.249 13.676 1.00 60.54 H new ATOM 0 HG2 LYS A 63 1.145 6.468 13.462 1.00 3.31 H new ATOM 0 HG3 LYS A 63 0.787 5.082 12.450 1.00 3.31 H new ATOM 0 HD2 LYS A 63 -0.044 5.276 15.372 1.00 5.01 H new ATOM 0 HD3 LYS A 63 -1.066 5.792 14.045 1.00 5.01 H new ATOM 0 HE2 LYS A 63 -0.986 3.485 13.098 1.00 32.13 H new ATOM 0 HE3 LYS A 63 0.014 2.974 14.443 1.00 32.13 H new ATOM 0 HZ1 LYS A 63 -2.065 2.394 15.167 1.00 24.01 H new ATOM 0 HZ2 LYS A 63 -1.939 3.942 15.854 1.00 24.01 H new ATOM 0 HZ3 LYS A 63 -2.835 3.715 14.429 1.00 24.01 H new ATOM 279 N ASN A 64 1.999 2.035 11.485 1.00 72.20 N ATOM 280 CA ASN A 64 1.981 1.841 10.049 1.00 62.25 C ATOM 281 C ASN A 64 0.750 2.488 9.454 1.00 64.34 C ATOM 282 O ASN A 64 -0.330 2.479 10.051 1.00 33.01 O ATOM 283 CB ASN A 64 2.053 0.355 9.677 1.00 1.12 C ATOM 284 CG ASN A 64 0.963 -0.494 10.311 1.00 22.12 C ATOM 285 OD1 ASN A 64 0.478 -0.203 11.401 1.00 14.54 O ATOM 286 ND2 ASN A 64 0.580 -1.564 9.632 1.00 30.04 N ATOM 0 H ASN A 64 1.632 1.249 12.022 1.00 72.20 H new ATOM 0 HA ASN A 64 2.867 2.320 9.632 1.00 62.25 H new ATOM 0 HB2 ASN A 64 1.990 0.259 8.593 1.00 1.12 H new ATOM 0 HB3 ASN A 64 3.025 -0.037 9.976 1.00 1.12 H new ATOM 0 HD21 ASN A 64 -0.141 -2.178 10.012 1.00 30.04 H new ATOM 0 HD22 ASN A 64 1.005 -1.774 8.729 1.00 30.04 H new ATOM 293 N THR A 65 0.935 3.069 8.285 1.00 53.13 N ATOM 294 CA THR A 65 -0.126 3.747 7.564 1.00 74.54 C ATOM 295 C THR A 65 -1.302 2.806 7.305 1.00 1.01 C ATOM 296 O THR A 65 -2.446 3.240 7.184 1.00 53.14 O ATOM 297 CB THR A 65 0.425 4.269 6.237 1.00 53.51 C ATOM 298 OG1 THR A 65 1.024 3.179 5.535 1.00 12.21 O ATOM 299 CG2 THR A 65 1.467 5.352 6.474 1.00 1.14 C ATOM 0 H THR A 65 1.834 3.084 7.804 1.00 53.13 H new ATOM 0 HA THR A 65 -0.487 4.578 8.170 1.00 74.54 H new ATOM 0 HB THR A 65 -0.389 4.699 5.654 1.00 53.51 H new ATOM 0 HG1 THR A 65 1.358 3.492 4.669 1.00 12.21 H new ATOM 0 HG21 THR A 65 1.845 5.709 5.516 1.00 1.14 H new ATOM 0 HG22 THR A 65 1.013 6.181 7.016 1.00 1.14 H new ATOM 0 HG23 THR A 65 2.290 4.943 7.060 1.00 1.14 H new ATOM 307 N VAL A 66 -0.994 1.513 7.228 1.00 13.44 N ATOM 308 CA VAL A 66 -2.002 0.471 7.079 1.00 24.02 C ATOM 309 C VAL A 66 -3.015 0.540 8.220 1.00 24.30 C ATOM 310 O VAL A 66 -4.225 0.506 7.999 1.00 25.12 O ATOM 311 CB VAL A 66 -1.348 -0.925 7.064 1.00 24.34 C ATOM 312 CG1 VAL A 66 -2.377 -2.006 6.768 1.00 24.30 C ATOM 313 CG2 VAL A 66 -0.207 -0.968 6.057 1.00 71.14 C ATOM 0 H VAL A 66 -0.038 1.160 7.267 1.00 13.44 H new ATOM 0 HA VAL A 66 -2.513 0.635 6.131 1.00 24.02 H new ATOM 0 HB VAL A 66 -0.937 -1.120 8.055 1.00 24.34 H new ATOM 0 HG11 VAL A 66 -1.889 -2.981 6.763 1.00 24.30 H new ATOM 0 HG12 VAL A 66 -3.151 -1.991 7.535 1.00 24.30 H new ATOM 0 HG13 VAL A 66 -2.829 -1.821 5.793 1.00 24.30 H new ATOM 0 HG21 VAL A 66 0.243 -1.961 6.060 1.00 71.14 H new ATOM 0 HG22 VAL A 66 -0.592 -0.747 5.061 1.00 71.14 H new ATOM 0 HG23 VAL A 66 0.546 -0.228 6.328 1.00 71.14 H new ATOM 323 N ALA A 67 -2.509 0.659 9.439 1.00 51.12 N ATOM 324 CA ALA A 67 -3.365 0.775 10.607 1.00 64.42 C ATOM 325 C ALA A 67 -4.092 2.111 10.588 1.00 3.31 C ATOM 326 O ALA A 67 -5.273 2.187 10.908 1.00 2.43 O ATOM 327 CB ALA A 67 -2.550 0.623 11.881 1.00 73.23 C ATOM 0 H ALA A 67 -1.510 0.678 9.643 1.00 51.12 H new ATOM 0 HA ALA A 67 -4.106 -0.024 10.582 1.00 64.42 H new ATOM 0 HB1 ALA A 67 -3.207 0.713 12.746 1.00 73.23 H new ATOM 0 HB2 ALA A 67 -2.069 -0.355 11.891 1.00 73.23 H new ATOM 0 HB3 ALA A 67 -1.789 1.402 11.921 1.00 73.23 H new ATOM 333 N MET A 68 -3.371 3.154 10.180 1.00 62.02 N ATOM 334 CA MET A 68 -3.936 4.496 10.056 1.00 71.51 C ATOM 335 C MET A 68 -5.148 4.502 9.135 1.00 62.11 C ATOM 336 O MET A 68 -6.159 5.133 9.430 1.00 2.23 O ATOM 337 CB MET A 68 -2.884 5.455 9.506 1.00 12.50 C ATOM 338 CG MET A 68 -1.715 5.685 10.437 1.00 73.24 C ATOM 339 SD MET A 68 -2.137 6.753 11.827 1.00 32.45 S ATOM 340 CE MET A 68 -2.515 8.278 10.966 1.00 2.32 C ATOM 0 H MET A 68 -2.385 3.093 9.928 1.00 62.02 H new ATOM 0 HA MET A 68 -4.251 4.818 11.048 1.00 71.51 H new ATOM 0 HB2 MET A 68 -2.510 5.064 8.560 1.00 12.50 H new ATOM 0 HB3 MET A 68 -3.358 6.413 9.290 1.00 12.50 H new ATOM 0 HG2 MET A 68 -1.362 4.726 10.815 1.00 73.24 H new ATOM 0 HG3 MET A 68 -0.892 6.130 9.878 1.00 73.24 H new ATOM 0 HE1 MET A 68 -2.378 9.121 11.643 1.00 2.32 H new ATOM 0 HE2 MET A 68 -1.849 8.388 10.110 1.00 2.32 H new ATOM 0 HE3 MET A 68 -3.548 8.254 10.620 1.00 2.32 H new ATOM 350 N LEU A 69 -5.036 3.799 8.015 1.00 43.11 N ATOM 351 CA LEU A 69 -6.127 3.715 7.055 1.00 42.24 C ATOM 352 C LEU A 69 -7.343 3.034 7.674 1.00 72.35 C ATOM 353 O LEU A 69 -8.481 3.407 7.394 1.00 34.55 O ATOM 354 CB LEU A 69 -5.680 2.960 5.803 1.00 34.14 C ATOM 355 CG LEU A 69 -5.659 3.785 4.515 1.00 14.30 C ATOM 356 CD1 LEU A 69 -5.250 2.920 3.335 1.00 41.34 C ATOM 357 CD2 LEU A 69 -7.021 4.413 4.265 1.00 21.40 C ATOM 0 H LEU A 69 -4.200 3.279 7.750 1.00 43.11 H new ATOM 0 HA LEU A 69 -6.408 4.729 6.772 1.00 42.24 H new ATOM 0 HB2 LEU A 69 -4.680 2.562 5.976 1.00 34.14 H new ATOM 0 HB3 LEU A 69 -6.342 2.106 5.658 1.00 34.14 H new ATOM 0 HG LEU A 69 -4.925 4.583 4.629 1.00 14.30 H new ATOM 0 HD11 LEU A 69 -5.241 3.524 2.427 1.00 41.34 H new ATOM 0 HD12 LEU A 69 -4.254 2.513 3.510 1.00 41.34 H new ATOM 0 HD13 LEU A 69 -5.961 2.102 3.219 1.00 41.34 H new ATOM 0 HD21 LEU A 69 -6.989 4.997 3.345 1.00 21.40 H new ATOM 0 HD22 LEU A 69 -7.772 3.628 4.171 1.00 21.40 H new ATOM 0 HD23 LEU A 69 -7.280 5.065 5.099 1.00 21.40 H new ATOM 369 N ASN A 70 -7.096 2.063 8.548 1.00 41.14 N ATOM 370 CA ASN A 70 -8.175 1.352 9.226 1.00 2.14 C ATOM 371 C ASN A 70 -8.821 2.252 10.270 1.00 51.22 C ATOM 372 O ASN A 70 -9.928 1.990 10.739 1.00 74.54 O ATOM 373 CB ASN A 70 -7.657 0.067 9.881 1.00 3.14 C ATOM 374 CG ASN A 70 -7.513 -1.080 8.897 1.00 51.31 C ATOM 375 OD1 ASN A 70 -8.440 -1.863 8.703 1.00 33.40 O ATOM 376 ND2 ASN A 70 -6.354 -1.192 8.267 1.00 31.21 N ATOM 0 H ASN A 70 -6.159 1.751 8.803 1.00 41.14 H new ATOM 0 HA ASN A 70 -8.923 1.077 8.483 1.00 2.14 H new ATOM 0 HB2 ASN A 70 -6.691 0.265 10.344 1.00 3.14 H new ATOM 0 HB3 ASN A 70 -8.338 -0.229 10.679 1.00 3.14 H new ATOM 0 HD21 ASN A 70 -6.209 -1.946 7.596 1.00 31.21 H new ATOM 0 HD22 ASN A 70 -5.606 -0.524 8.453 1.00 31.21 H new ATOM 383 N GLU A 71 -8.117 3.320 10.625 1.00 24.43 N ATOM 384 CA GLU A 71 -8.620 4.293 11.580 1.00 61.12 C ATOM 385 C GLU A 71 -9.372 5.406 10.860 1.00 34.42 C ATOM 386 O GLU A 71 -10.142 6.148 11.468 1.00 2.13 O ATOM 387 CB GLU A 71 -7.463 4.883 12.391 1.00 3.31 C ATOM 388 CG GLU A 71 -6.612 3.833 13.084 1.00 22.42 C ATOM 389 CD GLU A 71 -5.518 4.436 13.942 1.00 44.41 C ATOM 390 OE1 GLU A 71 -5.832 5.298 14.791 1.00 32.53 O ATOM 391 OE2 GLU A 71 -4.342 4.048 13.782 1.00 12.31 O ATOM 0 H GLU A 71 -7.188 3.533 10.261 1.00 24.43 H new ATOM 0 HA GLU A 71 -9.308 3.789 12.258 1.00 61.12 H new ATOM 0 HB2 GLU A 71 -6.830 5.474 11.729 1.00 3.31 H new ATOM 0 HB3 GLU A 71 -7.865 5.565 13.140 1.00 3.31 H new ATOM 0 HG2 GLU A 71 -7.251 3.206 13.706 1.00 22.42 H new ATOM 0 HG3 GLU A 71 -6.162 3.183 12.333 1.00 22.42 H new ATOM 398 N LEU A 72 -9.140 5.515 9.560 1.00 13.33 N ATOM 399 CA LEU A 72 -9.767 6.551 8.754 1.00 62.51 C ATOM 400 C LEU A 72 -10.940 6.001 7.958 1.00 51.44 C ATOM 401 O LEU A 72 -12.096 6.316 8.236 1.00 72.44 O ATOM 402 CB LEU A 72 -8.748 7.181 7.798 1.00 0.03 C ATOM 403 CG LEU A 72 -7.667 8.026 8.470 1.00 2.11 C ATOM 404 CD1 LEU A 72 -6.747 8.632 7.425 1.00 10.41 C ATOM 405 CD2 LEU A 72 -8.296 9.114 9.324 1.00 54.21 C ATOM 0 H LEU A 72 -8.519 4.895 9.039 1.00 13.33 H new ATOM 0 HA LEU A 72 -10.140 7.314 9.437 1.00 62.51 H new ATOM 0 HB2 LEU A 72 -8.265 6.386 7.230 1.00 0.03 H new ATOM 0 HB3 LEU A 72 -9.282 7.805 7.082 1.00 0.03 H new ATOM 0 HG LEU A 72 -7.075 7.381 9.120 1.00 2.11 H new ATOM 0 HD11 LEU A 72 -5.982 9.232 7.918 1.00 10.41 H new ATOM 0 HD12 LEU A 72 -6.271 7.835 6.853 1.00 10.41 H new ATOM 0 HD13 LEU A 72 -7.327 9.265 6.753 1.00 10.41 H new ATOM 0 HD21 LEU A 72 -7.511 9.706 9.795 1.00 54.21 H new ATOM 0 HD22 LEU A 72 -8.910 9.760 8.696 1.00 54.21 H new ATOM 0 HD23 LEU A 72 -8.918 8.658 10.094 1.00 54.21 H new ATOM 417 N ARG A 73 -10.638 5.166 6.978 1.00 4.04 N ATOM 418 CA ARG A 73 -11.646 4.688 6.048 1.00 23.11 C ATOM 419 C ARG A 73 -11.552 3.182 5.882 1.00 55.25 C ATOM 420 O ARG A 73 -10.602 2.678 5.282 1.00 30.54 O ATOM 421 CB ARG A 73 -11.470 5.369 4.687 1.00 4.22 C ATOM 422 CG ARG A 73 -11.615 6.880 4.736 1.00 31.41 C ATOM 423 CD ARG A 73 -13.043 7.284 5.055 1.00 61.01 C ATOM 424 NE ARG A 73 -13.927 7.115 3.905 1.00 42.40 N ATOM 425 CZ ARG A 73 -15.192 7.521 3.865 1.00 24.21 C ATOM 426 NH1 ARG A 73 -15.723 8.171 4.893 1.00 35.14 N ATOM 427 NH2 ARG A 73 -15.917 7.304 2.780 1.00 61.34 N ATOM 0 H ARG A 73 -9.700 4.804 6.806 1.00 4.04 H new ATOM 0 HA ARG A 73 -12.628 4.934 6.451 1.00 23.11 H new ATOM 0 HB2 ARG A 73 -10.485 5.120 4.291 1.00 4.22 H new ATOM 0 HB3 ARG A 73 -12.205 4.965 3.991 1.00 4.22 H new ATOM 0 HG2 ARG A 73 -10.942 7.288 5.490 1.00 31.41 H new ATOM 0 HG3 ARG A 73 -11.318 7.308 3.778 1.00 31.41 H new ATOM 0 HD2 ARG A 73 -13.412 6.685 5.888 1.00 61.01 H new ATOM 0 HD3 ARG A 73 -13.062 8.325 5.378 1.00 61.01 H new ATOM 0 HE ARG A 73 -13.548 6.655 3.077 1.00 42.40 H new ATOM 0 HH11 ARG A 73 -15.160 8.362 5.721 1.00 35.14 H new ATOM 0 HH12 ARG A 73 -16.695 8.479 4.855 1.00 35.14 H new ATOM 0 HH21 ARG A 73 -15.505 6.827 1.978 1.00 61.34 H new ATOM 0 HH22 ARG A 73 -16.888 7.614 2.745 1.00 61.34 H new ATOM 441 N HIS A 74 -12.527 2.463 6.417 1.00 55.53 N ATOM 442 CA HIS A 74 -12.563 1.020 6.241 1.00 64.33 C ATOM 443 C HIS A 74 -13.162 0.689 4.880 1.00 14.21 C ATOM 444 O HIS A 74 -13.864 1.511 4.287 1.00 15.35 O ATOM 445 CB HIS A 74 -13.320 0.315 7.379 1.00 51.53 C ATOM 446 CG HIS A 74 -14.735 0.758 7.580 1.00 71.43 C ATOM 447 ND1 HIS A 74 -15.144 1.538 8.634 1.00 55.01 N ATOM 448 CD2 HIS A 74 -15.851 0.482 6.862 1.00 43.43 C ATOM 449 CE1 HIS A 74 -16.467 1.706 8.532 1.00 34.10 C ATOM 450 NE2 HIS A 74 -16.944 1.084 7.470 1.00 74.12 N ATOM 0 H HIS A 74 -13.293 2.848 6.969 1.00 55.53 H new ATOM 0 HA HIS A 74 -11.541 0.644 6.279 1.00 64.33 H new ATOM 0 HB2 HIS A 74 -13.317 -0.758 7.185 1.00 51.53 H new ATOM 0 HB3 HIS A 74 -12.773 0.472 8.308 1.00 51.53 H new ATOM 0 HD2 HIS A 74 -15.884 -0.112 5.960 1.00 43.43 H new ATOM 0 HE1 HIS A 74 -17.066 2.276 9.227 1.00 34.10 H new ATOM 0 HE2 HIS A 74 -17.915 1.052 7.160 1.00 74.12 H new ATOM 458 N GLY A 75 -12.897 -0.512 4.396 1.00 21.13 N ATOM 459 CA GLY A 75 -13.200 -0.834 3.019 1.00 25.41 C ATOM 460 C GLY A 75 -11.955 -0.727 2.174 1.00 24.43 C ATOM 461 O GLY A 75 -12.016 -0.487 0.970 1.00 21.12 O ATOM 0 H GLY A 75 -12.477 -1.271 4.932 1.00 21.13 H new ATOM 0 HA2 GLY A 75 -13.607 -1.843 2.955 1.00 25.41 H new ATOM 0 HA3 GLY A 75 -13.965 -0.157 2.639 1.00 25.41 H new ATOM 465 N LEU A 76 -10.821 -0.885 2.840 1.00 72.11 N ATOM 466 CA LEU A 76 -9.520 -0.805 2.209 1.00 24.41 C ATOM 467 C LEU A 76 -9.008 -2.202 1.882 1.00 13.14 C ATOM 468 O LEU A 76 -8.809 -3.030 2.775 1.00 50.21 O ATOM 469 CB LEU A 76 -8.523 -0.066 3.123 1.00 12.44 C ATOM 470 CG LEU A 76 -8.256 -0.699 4.504 1.00 21.04 C ATOM 471 CD1 LEU A 76 -7.028 -0.074 5.136 1.00 23.40 C ATOM 472 CD2 LEU A 76 -9.448 -0.533 5.440 1.00 3.23 C ATOM 0 H LEU A 76 -10.782 -1.074 3.842 1.00 72.11 H new ATOM 0 HA LEU A 76 -9.616 -0.243 1.280 1.00 24.41 H new ATOM 0 HB2 LEU A 76 -7.573 0.016 2.596 1.00 12.44 H new ATOM 0 HB3 LEU A 76 -8.890 0.949 3.278 1.00 12.44 H new ATOM 0 HG LEU A 76 -8.090 -1.765 4.349 1.00 21.04 H new ATOM 0 HD11 LEU A 76 -6.849 -0.528 6.110 1.00 23.40 H new ATOM 0 HD12 LEU A 76 -6.163 -0.241 4.494 1.00 23.40 H new ATOM 0 HD13 LEU A 76 -7.187 0.997 5.259 1.00 23.40 H new ATOM 0 HD21 LEU A 76 -9.221 -0.992 6.402 1.00 3.23 H new ATOM 0 HD22 LEU A 76 -9.653 0.528 5.583 1.00 3.23 H new ATOM 0 HD23 LEU A 76 -10.323 -1.016 5.005 1.00 3.23 H new ATOM 484 N ILE A 77 -8.824 -2.478 0.604 1.00 34.03 N ATOM 485 CA ILE A 77 -8.343 -3.781 0.182 1.00 11.40 C ATOM 486 C ILE A 77 -6.936 -3.680 -0.392 1.00 14.33 C ATOM 487 O ILE A 77 -6.746 -3.173 -1.502 1.00 43.40 O ATOM 488 CB ILE A 77 -9.266 -4.435 -0.875 1.00 3.42 C ATOM 489 CG1 ILE A 77 -10.730 -4.422 -0.419 1.00 63.13 C ATOM 490 CG2 ILE A 77 -8.817 -5.861 -1.156 1.00 61.23 C ATOM 491 CD1 ILE A 77 -11.492 -3.182 -0.841 1.00 43.12 C ATOM 0 H ILE A 77 -8.999 -1.821 -0.157 1.00 34.03 H new ATOM 0 HA ILE A 77 -8.339 -4.409 1.073 1.00 11.40 H new ATOM 0 HB ILE A 77 -9.193 -3.851 -1.792 1.00 3.42 H new ATOM 0 HG12 ILE A 77 -11.234 -5.301 -0.821 1.00 63.13 H new ATOM 0 HG13 ILE A 77 -10.763 -4.505 0.667 1.00 63.13 H new ATOM 0 HG21 ILE A 77 -9.474 -6.309 -1.901 1.00 61.23 H new ATOM 0 HG22 ILE A 77 -7.794 -5.853 -1.533 1.00 61.23 H new ATOM 0 HG23 ILE A 77 -8.860 -6.444 -0.236 1.00 61.23 H new ATOM 0 HD11 ILE A 77 -12.519 -3.246 -0.482 1.00 43.12 H new ATOM 0 HD12 ILE A 77 -11.014 -2.299 -0.417 1.00 43.12 H new ATOM 0 HD13 ILE A 77 -11.492 -3.107 -1.928 1.00 43.12 H new ATOM 503 N TYR A 78 -5.951 -4.142 0.373 1.00 71.14 N ATOM 504 CA TYR A 78 -4.580 -4.213 -0.112 1.00 31.42 C ATOM 505 C TYR A 78 -4.396 -5.492 -0.910 1.00 25.43 C ATOM 506 O TYR A 78 -4.937 -6.535 -0.547 1.00 12.31 O ATOM 507 CB TYR A 78 -3.561 -4.198 1.036 1.00 54.14 C ATOM 508 CG TYR A 78 -3.635 -2.992 1.936 1.00 13.14 C ATOM 509 CD1 TYR A 78 -4.474 -2.981 3.039 1.00 54.24 C ATOM 510 CD2 TYR A 78 -2.845 -1.874 1.701 1.00 12.01 C ATOM 511 CE1 TYR A 78 -4.534 -1.891 3.876 1.00 20.24 C ATOM 512 CE2 TYR A 78 -2.895 -0.779 2.539 1.00 63.23 C ATOM 513 CZ TYR A 78 -3.743 -0.794 3.626 1.00 20.35 C ATOM 514 OH TYR A 78 -3.794 0.287 4.471 1.00 31.05 O ATOM 0 H TYR A 78 -6.078 -4.472 1.330 1.00 71.14 H new ATOM 0 HA TYR A 78 -4.405 -3.335 -0.734 1.00 31.42 H new ATOM 0 HB2 TYR A 78 -3.704 -5.093 1.641 1.00 54.14 H new ATOM 0 HB3 TYR A 78 -2.558 -4.256 0.613 1.00 54.14 H new ATOM 0 HD1 TYR A 78 -5.091 -3.843 3.245 1.00 54.24 H new ATOM 0 HD2 TYR A 78 -2.181 -1.862 0.849 1.00 12.01 H new ATOM 0 HE1 TYR A 78 -5.200 -1.897 4.726 1.00 20.24 H new ATOM 0 HE2 TYR A 78 -2.275 0.083 2.345 1.00 63.23 H new ATOM 0 HH TYR A 78 -4.242 0.030 5.304 1.00 31.05 H new ATOM 524 N LYS A 79 -3.653 -5.408 -1.994 1.00 32.45 N ATOM 525 CA LYS A 79 -3.353 -6.581 -2.795 1.00 1.42 C ATOM 526 C LYS A 79 -2.009 -6.404 -3.485 1.00 45.13 C ATOM 527 O LYS A 79 -1.588 -5.281 -3.753 1.00 53.41 O ATOM 528 CB LYS A 79 -4.462 -6.816 -3.825 1.00 22.31 C ATOM 529 CG LYS A 79 -4.550 -5.736 -4.893 1.00 33.52 C ATOM 530 CD LYS A 79 -5.867 -5.799 -5.641 1.00 14.20 C ATOM 531 CE LYS A 79 -7.021 -5.376 -4.752 1.00 42.05 C ATOM 532 NZ LYS A 79 -6.961 -3.927 -4.414 1.00 61.44 N ATOM 0 H LYS A 79 -3.245 -4.541 -2.342 1.00 32.45 H new ATOM 0 HA LYS A 79 -3.300 -7.454 -2.145 1.00 1.42 H new ATOM 0 HB2 LYS A 79 -4.297 -7.779 -4.309 1.00 22.31 H new ATOM 0 HB3 LYS A 79 -5.419 -6.879 -3.306 1.00 22.31 H new ATOM 0 HG2 LYS A 79 -4.440 -4.755 -4.430 1.00 33.52 H new ATOM 0 HG3 LYS A 79 -3.725 -5.851 -5.596 1.00 33.52 H new ATOM 0 HD2 LYS A 79 -5.823 -5.152 -6.517 1.00 14.20 H new ATOM 0 HD3 LYS A 79 -6.035 -6.813 -6.002 1.00 14.20 H new ATOM 0 HE2 LYS A 79 -7.964 -5.593 -5.254 1.00 42.05 H new ATOM 0 HE3 LYS A 79 -7.006 -5.964 -3.834 1.00 42.05 H new ATOM 0 HZ1 LYS A 79 -6.876 -3.814 -3.384 1.00 61.44 H new ATOM 0 HZ2 LYS A 79 -6.137 -3.496 -4.879 1.00 61.44 H new ATOM 0 HZ3 LYS A 79 -7.829 -3.458 -4.743 1.00 61.44 H new ATOM 546 N LEU A 80 -1.331 -7.503 -3.749 1.00 52.22 N ATOM 547 CA LEU A 80 -0.047 -7.453 -4.424 1.00 21.14 C ATOM 548 C LEU A 80 -0.271 -7.579 -5.923 1.00 43.32 C ATOM 549 O LEU A 80 -0.605 -8.654 -6.419 1.00 22.54 O ATOM 550 CB LEU A 80 0.867 -8.574 -3.918 1.00 1.24 C ATOM 551 CG LEU A 80 2.305 -8.541 -4.443 1.00 4.20 C ATOM 552 CD1 LEU A 80 3.020 -7.286 -3.969 1.00 2.51 C ATOM 553 CD2 LEU A 80 3.056 -9.784 -3.996 1.00 44.53 C ATOM 0 H LEU A 80 -1.647 -8.442 -3.507 1.00 52.22 H new ATOM 0 HA LEU A 80 0.441 -6.502 -4.211 1.00 21.14 H new ATOM 0 HB2 LEU A 80 0.895 -8.532 -2.829 1.00 1.24 H new ATOM 0 HB3 LEU A 80 0.422 -9.532 -4.189 1.00 1.24 H new ATOM 0 HG LEU A 80 2.276 -8.525 -5.532 1.00 4.20 H new ATOM 0 HD11 LEU A 80 4.040 -7.282 -4.353 1.00 2.51 H new ATOM 0 HD12 LEU A 80 2.491 -6.406 -4.335 1.00 2.51 H new ATOM 0 HD13 LEU A 80 3.042 -7.269 -2.879 1.00 2.51 H new ATOM 0 HD21 LEU A 80 4.077 -9.748 -4.376 1.00 44.53 H new ATOM 0 HD22 LEU A 80 3.075 -9.826 -2.907 1.00 44.53 H new ATOM 0 HD23 LEU A 80 2.555 -10.671 -4.384 1.00 44.53 H new ATOM 565 N GLU A 81 -0.120 -6.481 -6.647 1.00 25.13 N ATOM 566 CA GLU A 81 -0.405 -6.503 -8.076 1.00 4.42 C ATOM 567 C GLU A 81 0.829 -6.888 -8.883 1.00 32.15 C ATOM 568 O GLU A 81 0.716 -7.395 -9.997 1.00 44.42 O ATOM 569 CB GLU A 81 -0.985 -5.169 -8.569 1.00 11.41 C ATOM 570 CG GLU A 81 -0.125 -3.951 -8.288 1.00 64.23 C ATOM 571 CD GLU A 81 -0.584 -2.741 -9.081 1.00 52.42 C ATOM 572 OE1 GLU A 81 -1.619 -2.139 -8.720 1.00 43.55 O ATOM 573 OE2 GLU A 81 0.080 -2.402 -10.086 1.00 5.23 O ATOM 0 H GLU A 81 0.191 -5.581 -6.281 1.00 25.13 H new ATOM 0 HA GLU A 81 -1.166 -7.268 -8.234 1.00 4.42 H new ATOM 0 HB2 GLU A 81 -1.150 -5.238 -9.644 1.00 11.41 H new ATOM 0 HB3 GLU A 81 -1.960 -5.021 -8.105 1.00 11.41 H new ATOM 0 HG2 GLU A 81 -0.158 -3.721 -7.223 1.00 64.23 H new ATOM 0 HG3 GLU A 81 0.913 -4.174 -8.534 1.00 64.23 H new ATOM 580 N SER A 82 2.009 -6.664 -8.321 1.00 4.21 N ATOM 581 CA SER A 82 3.253 -7.003 -9.008 1.00 35.23 C ATOM 582 C SER A 82 4.400 -7.190 -8.019 1.00 41.42 C ATOM 583 O SER A 82 4.409 -6.585 -6.944 1.00 12.20 O ATOM 584 CB SER A 82 3.617 -5.915 -10.024 1.00 11.11 C ATOM 585 OG SER A 82 2.611 -5.780 -11.020 1.00 21.11 O ATOM 0 H SER A 82 2.134 -6.251 -7.397 1.00 4.21 H new ATOM 0 HA SER A 82 3.095 -7.946 -9.532 1.00 35.23 H new ATOM 0 HB2 SER A 82 3.752 -4.964 -9.509 1.00 11.11 H new ATOM 0 HB3 SER A 82 4.569 -6.159 -10.496 1.00 11.11 H new ATOM 0 HG SER A 82 2.001 -6.546 -10.975 1.00 21.11 H new ATOM 591 N GLN A 83 5.352 -8.040 -8.384 1.00 65.33 N ATOM 592 CA GLN A 83 6.553 -8.243 -7.590 1.00 13.23 C ATOM 593 C GLN A 83 7.737 -8.464 -8.523 1.00 32.41 C ATOM 594 O GLN A 83 7.761 -9.426 -9.294 1.00 72.43 O ATOM 595 CB GLN A 83 6.375 -9.436 -6.641 1.00 10.24 C ATOM 596 CG GLN A 83 7.426 -9.517 -5.541 1.00 14.23 C ATOM 597 CD GLN A 83 8.770 -10.031 -6.022 1.00 35.21 C ATOM 598 OE1 GLN A 83 8.852 -10.866 -6.922 1.00 44.24 O ATOM 599 NE2 GLN A 83 9.837 -9.512 -5.441 1.00 73.20 N ATOM 0 H GLN A 83 5.312 -8.604 -9.233 1.00 65.33 H new ATOM 0 HA GLN A 83 6.739 -7.359 -6.980 1.00 13.23 H new ATOM 0 HB2 GLN A 83 5.388 -9.378 -6.182 1.00 10.24 H new ATOM 0 HB3 GLN A 83 6.402 -10.357 -7.223 1.00 10.24 H new ATOM 0 HG2 GLN A 83 7.560 -8.527 -5.104 1.00 14.23 H new ATOM 0 HG3 GLN A 83 7.060 -10.169 -4.748 1.00 14.23 H new ATOM 0 HE21 GLN A 83 9.728 -8.822 -4.698 1.00 73.20 H new ATOM 0 HE22 GLN A 83 10.770 -9.801 -5.736 1.00 73.20 H new ATOM 608 N THR A 84 8.709 -7.568 -8.465 1.00 13.23 N ATOM 609 CA THR A 84 9.855 -7.627 -9.361 1.00 62.45 C ATOM 610 C THR A 84 11.121 -7.140 -8.669 1.00 62.35 C ATOM 611 O THR A 84 11.078 -6.191 -7.892 1.00 24.11 O ATOM 612 CB THR A 84 9.617 -6.761 -10.619 1.00 61.33 C ATOM 613 OG1 THR A 84 9.133 -5.465 -10.236 1.00 44.33 O ATOM 614 CG2 THR A 84 8.622 -7.413 -11.564 1.00 3.22 C ATOM 0 H THR A 84 8.728 -6.790 -7.806 1.00 13.23 H new ATOM 0 HA THR A 84 9.979 -8.670 -9.651 1.00 62.45 H new ATOM 0 HB THR A 84 10.569 -6.663 -11.140 1.00 61.33 H new ATOM 0 HG1 THR A 84 8.986 -4.921 -11.038 1.00 44.33 H new ATOM 0 HG21 THR A 84 8.479 -6.777 -12.437 1.00 3.22 H new ATOM 0 HG22 THR A 84 9.003 -8.384 -11.881 1.00 3.22 H new ATOM 0 HG23 THR A 84 7.669 -7.547 -11.053 1.00 3.22 H new ATOM 622 N GLY A 85 12.240 -7.792 -8.941 1.00 24.34 N ATOM 623 CA GLY A 85 13.506 -7.324 -8.412 1.00 64.22 C ATOM 624 C GLY A 85 14.422 -8.450 -7.990 1.00 65.44 C ATOM 625 O GLY A 85 14.043 -9.622 -8.062 1.00 54.22 O ATOM 0 H GLY A 85 12.296 -8.633 -9.516 1.00 24.34 H new ATOM 0 HA2 GLY A 85 14.007 -6.719 -9.167 1.00 64.22 H new ATOM 0 HA3 GLY A 85 13.318 -6.675 -7.556 1.00 64.22 H new ATOM 629 N PRO A 86 15.651 -8.118 -7.563 1.00 74.11 N ATOM 630 CA PRO A 86 16.611 -9.101 -7.049 1.00 21.25 C ATOM 631 C PRO A 86 16.203 -9.628 -5.681 1.00 34.41 C ATOM 632 O PRO A 86 15.284 -9.106 -5.059 1.00 62.11 O ATOM 633 CB PRO A 86 17.908 -8.302 -6.943 1.00 74.05 C ATOM 634 CG PRO A 86 17.464 -6.893 -6.751 1.00 10.54 C ATOM 635 CD PRO A 86 16.207 -6.752 -7.561 1.00 70.05 C ATOM 0 HA PRO A 86 16.687 -9.979 -7.690 1.00 21.25 H new ATOM 0 HB2 PRO A 86 18.517 -8.644 -6.106 1.00 74.05 H new ATOM 0 HB3 PRO A 86 18.514 -8.408 -7.843 1.00 74.05 H new ATOM 0 HG2 PRO A 86 17.278 -6.681 -5.698 1.00 10.54 H new ATOM 0 HG3 PRO A 86 18.228 -6.192 -7.087 1.00 10.54 H new ATOM 0 HD2 PRO A 86 15.517 -6.037 -7.112 1.00 70.05 H new ATOM 0 HD3 PRO A 86 16.417 -6.401 -8.572 1.00 70.05 H new ATOM 643 N VAL A 87 16.893 -10.649 -5.202 1.00 3.42 N ATOM 644 CA VAL A 87 16.552 -11.241 -3.918 1.00 44.51 C ATOM 645 C VAL A 87 17.125 -10.441 -2.751 1.00 60.41 C ATOM 646 O VAL A 87 16.667 -10.577 -1.620 1.00 33.21 O ATOM 647 CB VAL A 87 17.025 -12.703 -3.821 1.00 62.35 C ATOM 648 CG1 VAL A 87 16.257 -13.576 -4.797 1.00 41.13 C ATOM 649 CG2 VAL A 87 18.517 -12.802 -4.080 1.00 42.14 C ATOM 0 H VAL A 87 17.685 -11.082 -5.676 1.00 3.42 H new ATOM 0 HA VAL A 87 15.464 -11.219 -3.852 1.00 44.51 H new ATOM 0 HB VAL A 87 16.829 -13.060 -2.810 1.00 62.35 H new ATOM 0 HG11 VAL A 87 16.604 -14.606 -4.715 1.00 41.13 H new ATOM 0 HG12 VAL A 87 15.193 -13.532 -4.565 1.00 41.13 H new ATOM 0 HG13 VAL A 87 16.422 -13.218 -5.813 1.00 41.13 H new ATOM 0 HG21 VAL A 87 18.831 -13.843 -4.007 1.00 42.14 H new ATOM 0 HG22 VAL A 87 18.739 -12.426 -5.079 1.00 42.14 H new ATOM 0 HG23 VAL A 87 19.055 -12.208 -3.341 1.00 42.14 H new ATOM 659 N HIS A 88 18.124 -9.605 -3.025 1.00 54.34 N ATOM 660 CA HIS A 88 18.722 -8.788 -1.975 1.00 42.04 C ATOM 661 C HIS A 88 17.913 -7.510 -1.765 1.00 41.41 C ATOM 662 O HIS A 88 17.886 -6.951 -0.669 1.00 22.34 O ATOM 663 CB HIS A 88 20.194 -8.464 -2.292 1.00 0.03 C ATOM 664 CG HIS A 88 20.407 -7.565 -3.478 1.00 32.53 C ATOM 665 ND1 HIS A 88 20.667 -8.019 -4.751 1.00 0.14 N ATOM 666 CD2 HIS A 88 20.418 -6.208 -3.559 1.00 54.23 C ATOM 667 CE1 HIS A 88 20.823 -6.954 -5.546 1.00 72.44 C ATOM 668 NE2 HIS A 88 20.681 -5.831 -4.872 1.00 71.41 N ATOM 0 H HIS A 88 18.531 -9.477 -3.952 1.00 54.34 H new ATOM 0 HA HIS A 88 18.703 -9.361 -1.048 1.00 42.04 H new ATOM 0 HB2 HIS A 88 20.644 -7.997 -1.416 1.00 0.03 H new ATOM 0 HB3 HIS A 88 20.727 -9.399 -2.464 1.00 0.03 H new ATOM 0 HD2 HIS A 88 20.249 -5.530 -2.735 1.00 54.23 H new ATOM 0 HE1 HIS A 88 21.038 -7.008 -6.603 1.00 72.44 H new ATOM 0 HE2 HIS A 88 20.750 -4.881 -5.237 1.00 71.41 H new ATOM 676 N ALA A 89 17.246 -7.059 -2.823 1.00 42.12 N ATOM 677 CA ALA A 89 16.396 -5.879 -2.745 1.00 14.44 C ATOM 678 C ALA A 89 15.261 -5.972 -3.750 1.00 20.51 C ATOM 679 O ALA A 89 15.289 -5.326 -4.801 1.00 5.24 O ATOM 680 CB ALA A 89 17.204 -4.610 -2.976 1.00 63.44 C ATOM 0 H ALA A 89 17.279 -7.494 -3.745 1.00 42.12 H new ATOM 0 HA ALA A 89 15.971 -5.835 -1.742 1.00 14.44 H new ATOM 0 HB1 ALA A 89 16.546 -3.743 -2.913 1.00 63.44 H new ATOM 0 HB2 ALA A 89 17.982 -4.531 -2.217 1.00 63.44 H new ATOM 0 HB3 ALA A 89 17.663 -4.646 -3.964 1.00 63.44 H new ATOM 686 N PRO A 90 14.257 -6.800 -3.459 1.00 41.34 N ATOM 687 CA PRO A 90 13.110 -6.969 -4.340 1.00 20.35 C ATOM 688 C PRO A 90 12.120 -5.827 -4.192 1.00 2.41 C ATOM 689 O PRO A 90 12.092 -5.146 -3.166 1.00 75.11 O ATOM 690 CB PRO A 90 12.492 -8.283 -3.871 1.00 4.14 C ATOM 691 CG PRO A 90 12.863 -8.391 -2.428 1.00 2.11 C ATOM 692 CD PRO A 90 14.156 -7.636 -2.247 1.00 75.34 C ATOM 0 HA PRO A 90 13.391 -6.976 -5.393 1.00 20.35 H new ATOM 0 HB2 PRO A 90 11.410 -8.279 -4.001 1.00 4.14 H new ATOM 0 HB3 PRO A 90 12.878 -9.127 -4.442 1.00 4.14 H new ATOM 0 HG2 PRO A 90 12.080 -7.972 -1.796 1.00 2.11 H new ATOM 0 HG3 PRO A 90 12.982 -9.435 -2.138 1.00 2.11 H new ATOM 0 HD2 PRO A 90 14.139 -7.027 -1.343 1.00 75.34 H new ATOM 0 HD3 PRO A 90 15.005 -8.314 -2.159 1.00 75.34 H new ATOM 700 N LEU A 91 11.325 -5.600 -5.215 1.00 23.32 N ATOM 701 CA LEU A 91 10.300 -4.583 -5.148 1.00 62.53 C ATOM 702 C LEU A 91 8.927 -5.233 -5.151 1.00 33.03 C ATOM 703 O LEU A 91 8.650 -6.134 -5.948 1.00 44.51 O ATOM 704 CB LEU A 91 10.409 -3.610 -6.318 1.00 20.40 C ATOM 705 CG LEU A 91 9.430 -2.440 -6.255 1.00 5.25 C ATOM 706 CD1 LEU A 91 9.866 -1.430 -5.207 1.00 73.13 C ATOM 707 CD2 LEU A 91 9.293 -1.791 -7.615 1.00 72.30 C ATOM 0 H LEU A 91 11.369 -6.105 -6.100 1.00 23.32 H new ATOM 0 HA LEU A 91 10.440 -4.023 -4.223 1.00 62.53 H new ATOM 0 HB2 LEU A 91 11.425 -3.217 -6.355 1.00 20.40 H new ATOM 0 HB3 LEU A 91 10.245 -4.157 -7.247 1.00 20.40 H new ATOM 0 HG LEU A 91 8.452 -2.822 -5.963 1.00 5.25 H new ATOM 0 HD11 LEU A 91 9.155 -0.605 -5.179 1.00 73.13 H new ATOM 0 HD12 LEU A 91 9.902 -1.912 -4.230 1.00 73.13 H new ATOM 0 HD13 LEU A 91 10.855 -1.048 -5.459 1.00 73.13 H new ATOM 0 HD21 LEU A 91 8.592 -0.959 -7.552 1.00 72.30 H new ATOM 0 HD22 LEU A 91 10.265 -1.422 -7.942 1.00 72.30 H new ATOM 0 HD23 LEU A 91 8.923 -2.524 -8.332 1.00 72.30 H new ATOM 719 N PHE A 92 8.087 -4.779 -4.251 1.00 34.24 N ATOM 720 CA PHE A 92 6.727 -5.266 -4.146 1.00 24.42 C ATOM 721 C PHE A 92 5.777 -4.120 -4.422 1.00 10.01 C ATOM 722 O PHE A 92 6.007 -2.997 -3.974 1.00 34.11 O ATOM 723 CB PHE A 92 6.464 -5.854 -2.754 1.00 32.13 C ATOM 724 CG PHE A 92 7.188 -7.145 -2.487 1.00 74.12 C ATOM 725 CD1 PHE A 92 8.572 -7.184 -2.439 1.00 14.20 C ATOM 726 CD2 PHE A 92 6.483 -8.314 -2.261 1.00 50.24 C ATOM 727 CE1 PHE A 92 9.238 -8.364 -2.175 1.00 24.50 C ATOM 728 CE2 PHE A 92 7.145 -9.500 -1.999 1.00 42.24 C ATOM 729 CZ PHE A 92 8.525 -9.523 -1.954 1.00 71.51 C ATOM 0 H PHE A 92 8.326 -4.060 -3.568 1.00 34.24 H new ATOM 0 HA PHE A 92 6.570 -6.060 -4.876 1.00 24.42 H new ATOM 0 HB2 PHE A 92 6.757 -5.123 -2.001 1.00 32.13 H new ATOM 0 HB3 PHE A 92 5.393 -6.019 -2.637 1.00 32.13 H new ATOM 0 HD1 PHE A 92 9.137 -6.280 -2.610 1.00 14.20 H new ATOM 0 HD2 PHE A 92 5.403 -8.300 -2.289 1.00 50.24 H new ATOM 0 HE1 PHE A 92 10.317 -8.379 -2.142 1.00 24.50 H new ATOM 0 HE2 PHE A 92 6.583 -10.407 -1.830 1.00 42.24 H new ATOM 0 HZ PHE A 92 9.044 -10.447 -1.746 1.00 71.51 H new ATOM 739 N THR A 93 4.726 -4.398 -5.163 1.00 63.13 N ATOM 740 CA THR A 93 3.787 -3.370 -5.555 1.00 65.34 C ATOM 741 C THR A 93 2.396 -3.699 -5.031 1.00 61.42 C ATOM 742 O THR A 93 1.707 -4.577 -5.558 1.00 52.21 O ATOM 743 CB THR A 93 3.763 -3.212 -7.085 1.00 51.22 C ATOM 744 OG1 THR A 93 5.104 -3.036 -7.570 1.00 14.31 O ATOM 745 CG2 THR A 93 2.917 -2.018 -7.494 1.00 21.22 C ATOM 0 H THR A 93 4.500 -5.331 -5.507 1.00 63.13 H new ATOM 0 HA THR A 93 4.109 -2.424 -5.119 1.00 65.34 H new ATOM 0 HB THR A 93 3.325 -4.111 -7.518 1.00 51.22 H new ATOM 0 HG1 THR A 93 5.089 -2.937 -8.545 1.00 14.31 H new ATOM 0 HG21 THR A 93 2.916 -1.928 -8.580 1.00 21.22 H new ATOM 0 HG22 THR A 93 1.895 -2.158 -7.141 1.00 21.22 H new ATOM 0 HG23 THR A 93 3.332 -1.111 -7.055 1.00 21.22 H new ATOM 753 N ILE A 94 2.011 -3.006 -3.973 1.00 62.33 N ATOM 754 CA ILE A 94 0.731 -3.230 -3.324 1.00 73.42 C ATOM 755 C ILE A 94 -0.262 -2.160 -3.740 1.00 50.04 C ATOM 756 O ILE A 94 0.048 -0.968 -3.729 1.00 72.50 O ATOM 757 CB ILE A 94 0.880 -3.234 -1.786 1.00 24.05 C ATOM 758 CG1 ILE A 94 1.732 -4.429 -1.341 1.00 44.02 C ATOM 759 CG2 ILE A 94 -0.484 -3.256 -1.101 1.00 64.24 C ATOM 760 CD1 ILE A 94 0.985 -5.744 -1.293 1.00 33.21 C ATOM 0 H ILE A 94 2.575 -2.274 -3.541 1.00 62.33 H new ATOM 0 HA ILE A 94 0.362 -4.207 -3.637 1.00 73.42 H new ATOM 0 HB ILE A 94 1.385 -2.315 -1.488 1.00 24.05 H new ATOM 0 HG12 ILE A 94 2.578 -4.530 -2.021 1.00 44.02 H new ATOM 0 HG13 ILE A 94 2.141 -4.221 -0.352 1.00 44.02 H new ATOM 0 HG21 ILE A 94 -0.348 -3.258 -0.020 1.00 64.24 H new ATOM 0 HG22 ILE A 94 -1.052 -2.373 -1.393 1.00 64.24 H new ATOM 0 HG23 ILE A 94 -1.027 -4.152 -1.400 1.00 64.24 H new ATOM 0 HD11 ILE A 94 1.661 -6.535 -0.969 1.00 33.21 H new ATOM 0 HD12 ILE A 94 0.155 -5.666 -0.591 1.00 33.21 H new ATOM 0 HD13 ILE A 94 0.600 -5.980 -2.285 1.00 33.21 H new ATOM 772 N SER A 95 -1.442 -2.597 -4.128 1.00 54.53 N ATOM 773 CA SER A 95 -2.501 -1.698 -4.525 1.00 5.34 C ATOM 774 C SER A 95 -3.653 -1.750 -3.531 1.00 25.41 C ATOM 775 O SER A 95 -4.322 -2.778 -3.387 1.00 12.35 O ATOM 776 CB SER A 95 -2.982 -2.062 -5.927 1.00 35.30 C ATOM 777 OG SER A 95 -2.911 -3.458 -6.147 1.00 12.51 O ATOM 0 H SER A 95 -1.692 -3.585 -4.176 1.00 54.53 H new ATOM 0 HA SER A 95 -2.115 -0.679 -4.535 1.00 5.34 H new ATOM 0 HB2 SER A 95 -4.009 -1.722 -6.062 1.00 35.30 H new ATOM 0 HB3 SER A 95 -2.375 -1.543 -6.669 1.00 35.30 H new ATOM 0 HG SER A 95 -3.371 -3.681 -6.983 1.00 12.51 H new ATOM 783 N VAL A 96 -3.877 -0.649 -2.833 1.00 54.03 N ATOM 784 CA VAL A 96 -4.987 -0.562 -1.903 1.00 40.23 C ATOM 785 C VAL A 96 -6.064 0.345 -2.469 1.00 40.42 C ATOM 786 O VAL A 96 -5.795 1.471 -2.880 1.00 24.34 O ATOM 787 CB VAL A 96 -4.563 -0.065 -0.501 1.00 32.15 C ATOM 788 CG1 VAL A 96 -3.906 1.305 -0.571 1.00 22.12 C ATOM 789 CG2 VAL A 96 -5.767 -0.041 0.434 1.00 55.11 C ATOM 0 H VAL A 96 -3.306 0.194 -2.893 1.00 54.03 H new ATOM 0 HA VAL A 96 -5.375 -1.573 -1.776 1.00 40.23 H new ATOM 0 HB VAL A 96 -3.824 -0.761 -0.104 1.00 32.15 H new ATOM 0 HG11 VAL A 96 -3.621 1.623 0.432 1.00 22.12 H new ATOM 0 HG12 VAL A 96 -3.018 1.251 -1.201 1.00 22.12 H new ATOM 0 HG13 VAL A 96 -4.608 2.024 -0.994 1.00 22.12 H new ATOM 0 HG21 VAL A 96 -5.457 0.310 1.418 1.00 55.11 H new ATOM 0 HG22 VAL A 96 -6.526 0.630 0.032 1.00 55.11 H new ATOM 0 HG23 VAL A 96 -6.180 -1.046 0.521 1.00 55.11 H new ATOM 799 N GLU A 97 -7.277 -0.156 -2.514 1.00 1.14 N ATOM 800 CA GLU A 97 -8.369 0.607 -3.065 1.00 52.34 C ATOM 801 C GLU A 97 -9.246 1.145 -1.949 1.00 44.12 C ATOM 802 O GLU A 97 -9.883 0.383 -1.219 1.00 75.44 O ATOM 803 CB GLU A 97 -9.169 -0.257 -4.025 1.00 24.45 C ATOM 804 CG GLU A 97 -9.858 0.545 -5.108 1.00 44.31 C ATOM 805 CD GLU A 97 -10.344 -0.323 -6.244 1.00 25.40 C ATOM 806 OE1 GLU A 97 -9.500 -0.922 -6.939 1.00 63.44 O ATOM 807 OE2 GLU A 97 -11.570 -0.402 -6.458 1.00 1.35 O ATOM 0 H GLU A 97 -7.530 -1.085 -2.177 1.00 1.14 H new ATOM 0 HA GLU A 97 -7.972 1.457 -3.620 1.00 52.34 H new ATOM 0 HB2 GLU A 97 -8.505 -0.987 -4.488 1.00 24.45 H new ATOM 0 HB3 GLU A 97 -9.917 -0.817 -3.464 1.00 24.45 H new ATOM 0 HG2 GLU A 97 -10.703 1.082 -4.677 1.00 44.31 H new ATOM 0 HG3 GLU A 97 -9.168 1.295 -5.496 1.00 44.31 H new ATOM 814 N VAL A 98 -9.243 2.459 -1.809 1.00 44.31 N ATOM 815 CA VAL A 98 -9.994 3.128 -0.757 1.00 22.22 C ATOM 816 C VAL A 98 -10.904 4.176 -1.348 1.00 71.51 C ATOM 817 O VAL A 98 -10.465 5.039 -2.109 1.00 12.35 O ATOM 818 CB VAL A 98 -9.068 3.789 0.290 1.00 51.12 C ATOM 819 CG1 VAL A 98 -9.875 4.316 1.464 1.00 12.03 C ATOM 820 CG2 VAL A 98 -8.002 2.815 0.771 1.00 43.52 C ATOM 0 H VAL A 98 -8.723 3.091 -2.417 1.00 44.31 H new ATOM 0 HA VAL A 98 -10.584 2.363 -0.252 1.00 22.22 H new ATOM 0 HB VAL A 98 -8.567 4.629 -0.190 1.00 51.12 H new ATOM 0 HG11 VAL A 98 -9.204 4.777 2.189 1.00 12.03 H new ATOM 0 HG12 VAL A 98 -10.591 5.057 1.110 1.00 12.03 H new ATOM 0 HG13 VAL A 98 -10.410 3.492 1.937 1.00 12.03 H new ATOM 0 HG21 VAL A 98 -7.365 3.307 1.506 1.00 43.52 H new ATOM 0 HG22 VAL A 98 -8.480 1.948 1.227 1.00 43.52 H new ATOM 0 HG23 VAL A 98 -7.396 2.492 -0.075 1.00 43.52 H new ATOM 830 N ASP A 99 -12.179 4.069 -0.999 1.00 12.04 N ATOM 831 CA ASP A 99 -13.197 4.999 -1.461 1.00 11.03 C ATOM 832 C ASP A 99 -13.255 5.061 -2.984 1.00 43.40 C ATOM 833 O ASP A 99 -13.596 6.092 -3.563 1.00 33.15 O ATOM 834 CB ASP A 99 -12.931 6.380 -0.883 1.00 70.24 C ATOM 835 CG ASP A 99 -13.618 6.591 0.448 1.00 35.35 C ATOM 836 OD1 ASP A 99 -14.866 6.616 0.478 1.00 14.13 O ATOM 837 OD2 ASP A 99 -12.917 6.743 1.470 1.00 62.05 O ATOM 0 H ASP A 99 -12.535 3.334 -0.388 1.00 12.04 H new ATOM 0 HA ASP A 99 -14.166 4.641 -1.113 1.00 11.03 H new ATOM 0 HB2 ASP A 99 -11.857 6.519 -0.760 1.00 70.24 H new ATOM 0 HB3 ASP A 99 -13.272 7.138 -1.589 1.00 70.24 H new ATOM 842 N GLY A 100 -12.939 3.946 -3.629 1.00 54.45 N ATOM 843 CA GLY A 100 -12.959 3.900 -5.078 1.00 20.15 C ATOM 844 C GLY A 100 -11.710 4.502 -5.691 1.00 72.50 C ATOM 845 O GLY A 100 -11.690 4.843 -6.874 1.00 3.14 O ATOM 0 H GLY A 100 -12.669 3.073 -3.175 1.00 54.45 H new ATOM 0 HA2 GLY A 100 -13.059 2.865 -5.405 1.00 20.15 H new ATOM 0 HA3 GLY A 100 -13.835 4.436 -5.444 1.00 20.15 H new ATOM 849 N GLN A 101 -10.675 4.657 -4.879 1.00 52.22 N ATOM 850 CA GLN A 101 -9.394 5.155 -5.350 1.00 61.12 C ATOM 851 C GLN A 101 -8.297 4.155 -5.056 1.00 12.11 C ATOM 852 O GLN A 101 -8.071 3.777 -3.909 1.00 45.31 O ATOM 853 CB GLN A 101 -9.076 6.511 -4.721 1.00 65.21 C ATOM 854 CG GLN A 101 -9.773 7.655 -5.432 1.00 33.43 C ATOM 855 CD GLN A 101 -9.289 7.828 -6.859 1.00 74.31 C ATOM 856 OE1 GLN A 101 -8.380 8.612 -7.130 1.00 14.25 O ATOM 857 NE2 GLN A 101 -9.868 7.070 -7.777 1.00 21.25 N ATOM 0 H GLN A 101 -10.700 4.442 -3.882 1.00 52.22 H new ATOM 0 HA GLN A 101 -9.454 5.290 -6.430 1.00 61.12 H new ATOM 0 HB2 GLN A 101 -9.375 6.502 -3.673 1.00 65.21 H new ATOM 0 HB3 GLN A 101 -7.999 6.675 -4.743 1.00 65.21 H new ATOM 0 HG2 GLN A 101 -10.848 7.476 -5.435 1.00 33.43 H new ATOM 0 HG3 GLN A 101 -9.605 8.579 -4.879 1.00 33.43 H new ATOM 0 HE21 GLN A 101 -10.619 6.432 -7.512 1.00 21.25 H new ATOM 0 HE22 GLN A 101 -9.563 7.124 -8.749 1.00 21.25 H new ATOM 866 N LYS A 102 -7.638 3.712 -6.105 1.00 24.23 N ATOM 867 CA LYS A 102 -6.596 2.717 -5.976 1.00 13.30 C ATOM 868 C LYS A 102 -5.242 3.389 -5.776 1.00 51.53 C ATOM 869 O LYS A 102 -4.683 3.985 -6.697 1.00 31.14 O ATOM 870 CB LYS A 102 -6.588 1.808 -7.207 1.00 11.11 C ATOM 871 CG LYS A 102 -5.825 0.513 -6.996 1.00 22.23 C ATOM 872 CD LYS A 102 -4.355 0.642 -7.369 1.00 34.24 C ATOM 873 CE LYS A 102 -4.155 0.591 -8.876 1.00 13.01 C ATOM 874 NZ LYS A 102 -2.717 0.501 -9.251 1.00 43.52 N ATOM 0 H LYS A 102 -7.807 4.027 -7.060 1.00 24.23 H new ATOM 0 HA LYS A 102 -6.795 2.102 -5.099 1.00 13.30 H new ATOM 0 HB2 LYS A 102 -7.616 1.574 -7.483 1.00 11.11 H new ATOM 0 HB3 LYS A 102 -6.148 2.348 -8.045 1.00 11.11 H new ATOM 0 HG2 LYS A 102 -5.908 0.211 -5.952 1.00 22.23 H new ATOM 0 HG3 LYS A 102 -6.281 -0.277 -7.593 1.00 22.23 H new ATOM 0 HD2 LYS A 102 -3.961 1.581 -6.980 1.00 34.24 H new ATOM 0 HD3 LYS A 102 -3.787 -0.161 -6.898 1.00 34.24 H new ATOM 0 HE2 LYS A 102 -4.689 -0.268 -9.283 1.00 13.01 H new ATOM 0 HE3 LYS A 102 -4.592 1.481 -9.329 1.00 13.01 H new ATOM 0 HZ1 LYS A 102 -2.618 0.622 -10.279 1.00 43.52 H new ATOM 0 HZ2 LYS A 102 -2.183 1.247 -8.762 1.00 43.52 H new ATOM 0 HZ3 LYS A 102 -2.344 -0.429 -8.975 1.00 43.52 H new ATOM 888 N TYR A 103 -4.738 3.299 -4.558 1.00 11.20 N ATOM 889 CA TYR A 103 -3.459 3.887 -4.206 1.00 71.55 C ATOM 890 C TYR A 103 -2.369 2.835 -4.300 1.00 33.44 C ATOM 891 O TYR A 103 -2.535 1.711 -3.819 1.00 13.21 O ATOM 892 CB TYR A 103 -3.510 4.458 -2.789 1.00 32.22 C ATOM 893 CG TYR A 103 -4.624 5.455 -2.585 1.00 34.04 C ATOM 894 CD1 TYR A 103 -4.452 6.791 -2.908 1.00 42.33 C ATOM 895 CD2 TYR A 103 -5.846 5.056 -2.061 1.00 15.12 C ATOM 896 CE1 TYR A 103 -5.468 7.705 -2.719 1.00 41.15 C ATOM 897 CE2 TYR A 103 -6.868 5.963 -1.868 1.00 62.10 C ATOM 898 CZ TYR A 103 -6.673 7.287 -2.197 1.00 72.11 C ATOM 899 OH TYR A 103 -7.687 8.197 -2.002 1.00 30.12 O ATOM 0 H TYR A 103 -5.202 2.818 -3.788 1.00 11.20 H new ATOM 0 HA TYR A 103 -3.239 4.697 -4.902 1.00 71.55 H new ATOM 0 HB2 TYR A 103 -3.630 3.639 -2.079 1.00 32.22 H new ATOM 0 HB3 TYR A 103 -2.557 4.937 -2.564 1.00 32.22 H new ATOM 0 HD1 TYR A 103 -3.508 7.122 -3.314 1.00 42.33 H new ATOM 0 HD2 TYR A 103 -5.999 4.019 -1.800 1.00 15.12 H new ATOM 0 HE1 TYR A 103 -5.320 8.743 -2.979 1.00 41.15 H new ATOM 0 HE2 TYR A 103 -7.814 5.637 -1.462 1.00 62.10 H new ATOM 0 HH TYR A 103 -8.469 7.740 -1.628 1.00 30.12 H new ATOM 909 N LEU A 104 -1.266 3.191 -4.931 1.00 21.11 N ATOM 910 CA LEU A 104 -0.184 2.250 -5.148 1.00 14.42 C ATOM 911 C LEU A 104 0.971 2.508 -4.191 1.00 40.35 C ATOM 912 O LEU A 104 1.269 3.656 -3.855 1.00 32.12 O ATOM 913 CB LEU A 104 0.310 2.342 -6.590 1.00 42.22 C ATOM 914 CG LEU A 104 0.962 1.074 -7.124 1.00 43.05 C ATOM 915 CD1 LEU A 104 -0.018 -0.081 -7.032 1.00 31.53 C ATOM 916 CD2 LEU A 104 1.422 1.277 -8.561 1.00 22.31 C ATOM 0 H LEU A 104 -1.096 4.126 -5.302 1.00 21.11 H new ATOM 0 HA LEU A 104 -0.568 1.247 -4.959 1.00 14.42 H new ATOM 0 HB2 LEU A 104 -0.533 2.599 -7.232 1.00 42.22 H new ATOM 0 HB3 LEU A 104 1.027 3.160 -6.662 1.00 42.22 H new ATOM 0 HG LEU A 104 1.838 0.841 -6.519 1.00 43.05 H new ATOM 0 HD11 LEU A 104 0.451 -0.987 -7.415 1.00 31.53 H new ATOM 0 HD12 LEU A 104 -0.305 -0.233 -5.991 1.00 31.53 H new ATOM 0 HD13 LEU A 104 -0.905 0.146 -7.624 1.00 31.53 H new ATOM 0 HD21 LEU A 104 1.886 0.361 -8.927 1.00 22.31 H new ATOM 0 HD22 LEU A 104 0.564 1.525 -9.186 1.00 22.31 H new ATOM 0 HD23 LEU A 104 2.146 2.091 -8.600 1.00 22.31 H new ATOM 928 N GLY A 105 1.606 1.438 -3.752 1.00 74.54 N ATOM 929 CA GLY A 105 2.777 1.554 -2.913 1.00 75.43 C ATOM 930 C GLY A 105 3.820 0.529 -3.287 1.00 61.31 C ATOM 931 O GLY A 105 3.511 -0.658 -3.415 1.00 31.22 O ATOM 0 H GLY A 105 1.328 0.480 -3.964 1.00 74.54 H new ATOM 0 HA2 GLY A 105 3.197 2.555 -3.007 1.00 75.43 H new ATOM 0 HA3 GLY A 105 2.494 1.424 -1.869 1.00 75.43 H new ATOM 935 N GLN A 106 5.050 0.976 -3.474 1.00 52.44 N ATOM 936 CA GLN A 106 6.116 0.093 -3.914 1.00 11.32 C ATOM 937 C GLN A 106 7.229 0.047 -2.873 1.00 32.04 C ATOM 938 O GLN A 106 7.877 1.056 -2.594 1.00 12.24 O ATOM 939 CB GLN A 106 6.666 0.542 -5.270 1.00 50.34 C ATOM 940 CG GLN A 106 5.598 0.660 -6.347 1.00 62.41 C ATOM 941 CD GLN A 106 6.166 0.568 -7.750 1.00 75.04 C ATOM 942 OE1 GLN A 106 6.551 1.571 -8.355 1.00 4.51 O ATOM 943 NE2 GLN A 106 6.205 -0.639 -8.283 1.00 43.23 N ATOM 0 H GLN A 106 5.335 1.944 -3.328 1.00 52.44 H new ATOM 0 HA GLN A 106 5.707 -0.911 -4.029 1.00 11.32 H new ATOM 0 HB2 GLN A 106 7.160 1.506 -5.152 1.00 50.34 H new ATOM 0 HB3 GLN A 106 7.426 -0.167 -5.598 1.00 50.34 H new ATOM 0 HG2 GLN A 106 4.858 -0.128 -6.207 1.00 62.41 H new ATOM 0 HG3 GLN A 106 5.076 1.610 -6.233 1.00 62.41 H new ATOM 0 HE21 GLN A 106 5.877 -1.443 -7.749 1.00 43.23 H new ATOM 0 HE22 GLN A 106 6.564 -0.767 -9.229 1.00 43.23 H new ATOM 952 N GLY A 107 7.451 -1.132 -2.310 1.00 55.34 N ATOM 953 CA GLY A 107 8.425 -1.281 -1.245 1.00 32.45 C ATOM 954 C GLY A 107 9.318 -2.483 -1.458 1.00 11.25 C ATOM 955 O GLY A 107 9.249 -3.128 -2.499 1.00 64.52 O ATOM 0 H GLY A 107 6.972 -1.993 -2.573 1.00 55.34 H new ATOM 0 HA2 GLY A 107 9.037 -0.381 -1.185 1.00 32.45 H new ATOM 0 HA3 GLY A 107 7.907 -1.379 -0.291 1.00 32.45 H new ATOM 959 N ARG A 108 10.141 -2.802 -0.467 1.00 13.23 N ATOM 960 CA ARG A 108 11.116 -3.886 -0.602 1.00 51.53 C ATOM 961 C ARG A 108 10.509 -5.218 -0.172 1.00 22.32 C ATOM 962 O ARG A 108 11.144 -6.268 -0.272 1.00 2.52 O ATOM 963 CB ARG A 108 12.360 -3.597 0.244 1.00 11.13 C ATOM 964 CG ARG A 108 12.790 -2.138 0.235 1.00 4.53 C ATOM 965 CD ARG A 108 13.086 -1.627 -1.167 1.00 14.41 C ATOM 966 NE ARG A 108 13.194 -0.169 -1.184 1.00 52.30 N ATOM 967 CZ ARG A 108 12.663 0.613 -2.120 1.00 70.50 C ATOM 968 NH1 ARG A 108 12.124 0.086 -3.212 1.00 31.21 N ATOM 969 NH2 ARG A 108 12.705 1.931 -1.972 1.00 31.12 N ATOM 0 H ARG A 108 10.156 -2.330 0.437 1.00 13.23 H new ATOM 0 HA ARG A 108 11.401 -3.949 -1.652 1.00 51.53 H new ATOM 0 HB2 ARG A 108 12.166 -3.901 1.272 1.00 11.13 H new ATOM 0 HB3 ARG A 108 13.184 -4.210 -0.120 1.00 11.13 H new ATOM 0 HG2 ARG A 108 12.005 -1.528 0.682 1.00 4.53 H new ATOM 0 HG3 ARG A 108 13.678 -2.020 0.856 1.00 4.53 H new ATOM 0 HD2 ARG A 108 14.015 -2.068 -1.530 1.00 14.41 H new ATOM 0 HD3 ARG A 108 12.296 -1.944 -1.847 1.00 14.41 H new ATOM 0 HE ARG A 108 13.711 0.279 -0.427 1.00 52.30 H new ATOM 0 HH11 ARG A 108 12.115 -0.926 -3.339 1.00 31.21 H new ATOM 0 HH12 ARG A 108 11.719 0.693 -3.925 1.00 31.21 H new ATOM 0 HH21 ARG A 108 13.142 2.338 -1.145 1.00 31.12 H new ATOM 0 HH22 ARG A 108 12.300 2.537 -2.685 1.00 31.12 H new ATOM 983 N SER A 109 9.275 -5.166 0.309 1.00 33.24 N ATOM 984 CA SER A 109 8.581 -6.342 0.821 1.00 22.52 C ATOM 985 C SER A 109 7.083 -6.069 0.836 1.00 72.14 C ATOM 986 O SER A 109 6.670 -4.922 0.644 1.00 24.55 O ATOM 987 CB SER A 109 9.069 -6.678 2.235 1.00 33.51 C ATOM 988 OG SER A 109 10.472 -6.892 2.260 1.00 40.42 O ATOM 0 H SER A 109 8.726 -4.308 0.356 1.00 33.24 H new ATOM 0 HA SER A 109 8.792 -7.194 0.175 1.00 22.52 H new ATOM 0 HB2 SER A 109 8.811 -5.865 2.914 1.00 33.51 H new ATOM 0 HB3 SER A 109 8.557 -7.570 2.596 1.00 33.51 H new ATOM 0 HG SER A 109 10.798 -7.028 1.346 1.00 40.42 H new ATOM 994 N LYS A 110 6.276 -7.104 1.066 1.00 33.43 N ATOM 995 CA LYS A 110 4.824 -6.941 1.132 1.00 12.44 C ATOM 996 C LYS A 110 4.467 -5.919 2.200 1.00 65.11 C ATOM 997 O LYS A 110 3.637 -5.038 1.986 1.00 3.43 O ATOM 998 CB LYS A 110 4.137 -8.261 1.482 1.00 21.23 C ATOM 999 CG LYS A 110 4.143 -9.300 0.377 1.00 33.25 C ATOM 1000 CD LYS A 110 3.384 -10.538 0.817 1.00 20.22 C ATOM 1001 CE LYS A 110 3.160 -11.505 -0.330 1.00 53.30 C ATOM 1002 NZ LYS A 110 2.332 -12.666 0.089 1.00 42.50 N ATOM 0 H LYS A 110 6.601 -8.060 1.209 1.00 33.43 H new ATOM 0 HA LYS A 110 4.483 -6.606 0.152 1.00 12.44 H new ATOM 0 HB2 LYS A 110 4.623 -8.684 2.361 1.00 21.23 H new ATOM 0 HB3 LYS A 110 3.103 -8.053 1.759 1.00 21.23 H new ATOM 0 HG2 LYS A 110 3.688 -8.887 -0.523 1.00 33.25 H new ATOM 0 HG3 LYS A 110 5.169 -9.565 0.123 1.00 33.25 H new ATOM 0 HD2 LYS A 110 3.937 -11.039 1.611 1.00 20.22 H new ATOM 0 HD3 LYS A 110 2.422 -10.243 1.236 1.00 20.22 H new ATOM 0 HE2 LYS A 110 2.670 -10.986 -1.154 1.00 53.30 H new ATOM 0 HE3 LYS A 110 4.122 -11.858 -0.702 1.00 53.30 H new ATOM 0 HZ1 LYS A 110 2.198 -13.307 -0.719 1.00 42.50 H new ATOM 0 HZ2 LYS A 110 2.812 -13.175 0.859 1.00 42.50 H new ATOM 0 HZ3 LYS A 110 1.406 -12.330 0.421 1.00 42.50 H new ATOM 1016 N LYS A 111 5.130 -6.045 3.342 1.00 14.52 N ATOM 1017 CA LYS A 111 4.883 -5.189 4.488 1.00 10.54 C ATOM 1018 C LYS A 111 5.216 -3.739 4.148 1.00 51.24 C ATOM 1019 O LYS A 111 4.415 -2.836 4.389 1.00 2.24 O ATOM 1020 CB LYS A 111 5.709 -5.701 5.680 1.00 51.11 C ATOM 1021 CG LYS A 111 5.732 -4.785 6.892 1.00 12.01 C ATOM 1022 CD LYS A 111 6.920 -3.836 6.848 1.00 54.11 C ATOM 1023 CE LYS A 111 6.987 -2.963 8.084 1.00 13.45 C ATOM 1024 NZ LYS A 111 8.153 -2.042 8.047 1.00 55.25 N ATOM 0 H LYS A 111 5.855 -6.746 3.497 1.00 14.52 H new ATOM 0 HA LYS A 111 3.828 -5.220 4.759 1.00 10.54 H new ATOM 0 HB2 LYS A 111 5.315 -6.671 5.985 1.00 51.11 H new ATOM 0 HB3 LYS A 111 6.734 -5.864 5.348 1.00 51.11 H new ATOM 0 HG2 LYS A 111 4.807 -4.210 6.933 1.00 12.01 H new ATOM 0 HG3 LYS A 111 5.776 -5.384 7.802 1.00 12.01 H new ATOM 0 HD2 LYS A 111 7.842 -4.411 6.758 1.00 54.11 H new ATOM 0 HD3 LYS A 111 6.850 -3.206 5.961 1.00 54.11 H new ATOM 0 HE2 LYS A 111 6.068 -2.383 8.169 1.00 13.45 H new ATOM 0 HE3 LYS A 111 7.050 -3.593 8.971 1.00 13.45 H new ATOM 0 HZ1 LYS A 111 8.164 -1.461 8.910 1.00 55.25 H new ATOM 0 HZ2 LYS A 111 9.031 -2.596 7.991 1.00 55.25 H new ATOM 0 HZ3 LYS A 111 8.080 -1.423 7.214 1.00 55.25 H new ATOM 1038 N VAL A 112 6.385 -3.534 3.558 1.00 54.22 N ATOM 1039 CA VAL A 112 6.822 -2.201 3.169 1.00 11.23 C ATOM 1040 C VAL A 112 5.878 -1.609 2.126 1.00 31.54 C ATOM 1041 O VAL A 112 5.380 -0.499 2.289 1.00 73.23 O ATOM 1042 CB VAL A 112 8.257 -2.223 2.598 1.00 23.22 C ATOM 1043 CG1 VAL A 112 8.755 -0.810 2.334 1.00 32.32 C ATOM 1044 CG2 VAL A 112 9.201 -2.957 3.539 1.00 43.21 C ATOM 0 H VAL A 112 7.049 -4.276 3.338 1.00 54.22 H new ATOM 0 HA VAL A 112 6.810 -1.582 4.066 1.00 11.23 H new ATOM 0 HB VAL A 112 8.235 -2.759 1.649 1.00 23.22 H new ATOM 0 HG11 VAL A 112 9.767 -0.850 1.932 1.00 32.32 H new ATOM 0 HG12 VAL A 112 8.098 -0.321 1.614 1.00 32.32 H new ATOM 0 HG13 VAL A 112 8.757 -0.245 3.266 1.00 32.32 H new ATOM 0 HG21 VAL A 112 10.206 -2.960 3.117 1.00 43.21 H new ATOM 0 HG22 VAL A 112 9.215 -2.454 4.506 1.00 43.21 H new ATOM 0 HG23 VAL A 112 8.859 -3.984 3.670 1.00 43.21 H new ATOM 1054 N ALA A 113 5.612 -2.378 1.075 1.00 23.34 N ATOM 1055 CA ALA A 113 4.785 -1.915 -0.034 1.00 40.14 C ATOM 1056 C ALA A 113 3.369 -1.588 0.421 1.00 22.25 C ATOM 1057 O ALA A 113 2.773 -0.611 -0.029 1.00 4.20 O ATOM 1058 CB ALA A 113 4.759 -2.960 -1.133 1.00 60.50 C ATOM 0 H ALA A 113 5.960 -3.331 0.968 1.00 23.34 H new ATOM 0 HA ALA A 113 5.226 -0.997 -0.422 1.00 40.14 H new ATOM 0 HB1 ALA A 113 4.139 -2.606 -1.957 1.00 60.50 H new ATOM 0 HB2 ALA A 113 5.773 -3.136 -1.491 1.00 60.50 H new ATOM 0 HB3 ALA A 113 4.346 -3.890 -0.741 1.00 60.50 H new ATOM 1064 N ARG A 114 2.839 -2.412 1.315 1.00 32.24 N ATOM 1065 CA ARG A 114 1.500 -2.213 1.846 1.00 62.45 C ATOM 1066 C ARG A 114 1.419 -0.886 2.598 1.00 64.13 C ATOM 1067 O ARG A 114 0.445 -0.143 2.469 1.00 24.41 O ATOM 1068 CB ARG A 114 1.134 -3.380 2.762 1.00 55.52 C ATOM 1069 CG ARG A 114 -0.300 -3.356 3.246 1.00 73.03 C ATOM 1070 CD ARG A 114 -0.629 -4.580 4.077 1.00 14.11 C ATOM 1071 NE ARG A 114 -0.928 -5.739 3.237 1.00 61.03 N ATOM 1072 CZ ARG A 114 -1.896 -6.624 3.497 1.00 61.33 C ATOM 1073 NH1 ARG A 114 -2.611 -6.526 4.610 1.00 61.51 N ATOM 1074 NH2 ARG A 114 -2.140 -7.616 2.649 1.00 11.42 N ATOM 0 H ARG A 114 3.321 -3.230 1.689 1.00 32.24 H new ATOM 0 HA ARG A 114 0.787 -2.177 1.022 1.00 62.45 H new ATOM 0 HB2 ARG A 114 1.312 -4.315 2.231 1.00 55.52 H new ATOM 0 HB3 ARG A 114 1.799 -3.373 3.626 1.00 55.52 H new ATOM 0 HG2 ARG A 114 -0.470 -2.457 3.839 1.00 73.03 H new ATOM 0 HG3 ARG A 114 -0.973 -3.305 2.390 1.00 73.03 H new ATOM 0 HD2 ARG A 114 0.211 -4.812 4.732 1.00 14.11 H new ATOM 0 HD3 ARG A 114 -1.484 -4.365 4.719 1.00 14.11 H new ATOM 0 HE ARG A 114 -0.363 -5.881 2.400 1.00 61.03 H new ATOM 0 HH11 ARG A 114 -2.423 -5.773 5.272 1.00 61.51 H new ATOM 0 HH12 ARG A 114 -3.348 -7.204 4.804 1.00 61.51 H new ATOM 0 HH21 ARG A 114 -1.588 -7.705 1.796 1.00 11.42 H new ATOM 0 HH22 ARG A 114 -2.879 -8.289 2.851 1.00 11.42 H new ATOM 1088 N ILE A 115 2.455 -0.597 3.373 1.00 31.45 N ATOM 1089 CA ILE A 115 2.575 0.681 4.063 1.00 55.03 C ATOM 1090 C ILE A 115 2.649 1.836 3.059 1.00 20.31 C ATOM 1091 O ILE A 115 1.917 2.818 3.173 1.00 1.21 O ATOM 1092 CB ILE A 115 3.818 0.693 4.977 1.00 31.23 C ATOM 1093 CG1 ILE A 115 3.585 -0.240 6.167 1.00 34.44 C ATOM 1094 CG2 ILE A 115 4.139 2.103 5.447 1.00 62.34 C ATOM 1095 CD1 ILE A 115 4.784 -0.389 7.072 1.00 72.54 C ATOM 0 H ILE A 115 3.232 -1.237 3.541 1.00 31.45 H new ATOM 0 HA ILE A 115 1.687 0.814 4.681 1.00 55.03 H new ATOM 0 HB ILE A 115 4.677 0.337 4.408 1.00 31.23 H new ATOM 0 HG12 ILE A 115 2.745 0.136 6.752 1.00 34.44 H new ATOM 0 HG13 ILE A 115 3.299 -1.224 5.794 1.00 34.44 H new ATOM 0 HG21 ILE A 115 5.019 2.081 6.089 1.00 62.34 H new ATOM 0 HG22 ILE A 115 4.336 2.738 4.583 1.00 62.34 H new ATOM 0 HG23 ILE A 115 3.292 2.502 6.006 1.00 62.34 H new ATOM 0 HD11 ILE A 115 4.540 -1.065 7.891 1.00 72.54 H new ATOM 0 HD12 ILE A 115 5.621 -0.795 6.503 1.00 72.54 H new ATOM 0 HD13 ILE A 115 5.058 0.586 7.476 1.00 72.54 H new ATOM 1107 N GLU A 116 3.521 1.707 2.069 1.00 1.32 N ATOM 1108 CA GLU A 116 3.678 2.732 1.047 1.00 42.12 C ATOM 1109 C GLU A 116 2.362 3.002 0.320 1.00 22.41 C ATOM 1110 O GLU A 116 2.052 4.148 -0.009 1.00 32.32 O ATOM 1111 CB GLU A 116 4.756 2.297 0.071 1.00 64.22 C ATOM 1112 CG GLU A 116 6.066 1.992 0.769 1.00 54.45 C ATOM 1113 CD GLU A 116 6.675 3.214 1.431 1.00 33.13 C ATOM 1114 OE1 GLU A 116 6.927 4.214 0.731 1.00 41.21 O ATOM 1115 OE2 GLU A 116 6.884 3.187 2.663 1.00 15.35 O ATOM 0 H GLU A 116 4.133 0.899 1.952 1.00 1.32 H new ATOM 0 HA GLU A 116 3.975 3.665 1.525 1.00 42.12 H new ATOM 0 HB2 GLU A 116 4.419 1.413 -0.470 1.00 64.22 H new ATOM 0 HB3 GLU A 116 4.914 3.082 -0.668 1.00 64.22 H new ATOM 0 HG2 GLU A 116 5.901 1.221 1.521 1.00 54.45 H new ATOM 0 HG3 GLU A 116 6.773 1.586 0.045 1.00 54.45 H new ATOM 1122 N ALA A 117 1.591 1.948 0.089 1.00 63.23 N ATOM 1123 CA ALA A 117 0.283 2.079 -0.542 1.00 11.42 C ATOM 1124 C ALA A 117 -0.660 2.898 0.328 1.00 64.14 C ATOM 1125 O ALA A 117 -1.294 3.849 -0.139 1.00 4.34 O ATOM 1126 CB ALA A 117 -0.311 0.704 -0.815 1.00 62.24 C ATOM 0 H ALA A 117 1.849 0.991 0.329 1.00 63.23 H new ATOM 0 HA ALA A 117 0.412 2.602 -1.490 1.00 11.42 H new ATOM 0 HB1 ALA A 117 -1.287 0.816 -1.286 1.00 62.24 H new ATOM 0 HB2 ALA A 117 0.350 0.147 -1.479 1.00 62.24 H new ATOM 0 HB3 ALA A 117 -0.422 0.162 0.124 1.00 62.24 H new ATOM 1132 N ALA A 118 -0.731 2.532 1.600 1.00 33.41 N ATOM 1133 CA ALA A 118 -1.598 3.212 2.549 1.00 50.42 C ATOM 1134 C ALA A 118 -1.149 4.649 2.771 1.00 60.22 C ATOM 1135 O ALA A 118 -1.965 5.533 3.022 1.00 73.53 O ATOM 1136 CB ALA A 118 -1.621 2.456 3.860 1.00 51.03 C ATOM 0 H ALA A 118 -0.194 1.762 2.000 1.00 33.41 H new ATOM 0 HA ALA A 118 -2.606 3.238 2.135 1.00 50.42 H new ATOM 0 HB1 ALA A 118 -2.272 2.971 4.566 1.00 51.03 H new ATOM 0 HB2 ALA A 118 -1.995 1.446 3.691 1.00 51.03 H new ATOM 0 HB3 ALA A 118 -0.612 2.405 4.268 1.00 51.03 H new ATOM 1142 N ALA A 119 0.155 4.877 2.675 1.00 42.24 N ATOM 1143 CA ALA A 119 0.712 6.213 2.827 1.00 2.44 C ATOM 1144 C ALA A 119 0.171 7.142 1.749 1.00 70.13 C ATOM 1145 O ALA A 119 -0.204 8.285 2.029 1.00 60.24 O ATOM 1146 CB ALA A 119 2.231 6.167 2.776 1.00 40.23 C ATOM 0 H ALA A 119 0.847 4.151 2.492 1.00 42.24 H new ATOM 0 HA ALA A 119 0.412 6.602 3.800 1.00 2.44 H new ATOM 0 HB1 ALA A 119 2.630 7.175 2.891 1.00 40.23 H new ATOM 0 HB2 ALA A 119 2.603 5.535 3.582 1.00 40.23 H new ATOM 0 HB3 ALA A 119 2.551 5.758 1.818 1.00 40.23 H new ATOM 1152 N THR A 120 0.115 6.636 0.519 1.00 70.13 N ATOM 1153 CA THR A 120 -0.443 7.389 -0.595 1.00 52.33 C ATOM 1154 C THR A 120 -1.906 7.740 -0.322 1.00 74.10 C ATOM 1155 O THR A 120 -2.358 8.848 -0.613 1.00 3.54 O ATOM 1156 CB THR A 120 -0.341 6.587 -1.911 1.00 54.03 C ATOM 1157 OG1 THR A 120 1.004 6.119 -2.093 1.00 71.43 O ATOM 1158 CG2 THR A 120 -0.753 7.440 -3.105 1.00 75.04 C ATOM 0 H THR A 120 0.451 5.705 0.271 1.00 70.13 H new ATOM 0 HA THR A 120 0.135 8.307 -0.699 1.00 52.33 H new ATOM 0 HB THR A 120 -1.019 5.736 -1.845 1.00 54.03 H new ATOM 0 HG1 THR A 120 0.999 5.326 -2.669 1.00 71.43 H new ATOM 0 HG21 THR A 120 -0.672 6.851 -4.018 1.00 75.04 H new ATOM 0 HG22 THR A 120 -1.784 7.771 -2.977 1.00 75.04 H new ATOM 0 HG23 THR A 120 -0.099 8.309 -3.174 1.00 75.04 H new ATOM 1166 N ALA A 121 -2.633 6.791 0.260 1.00 74.03 N ATOM 1167 CA ALA A 121 -4.030 7.002 0.613 1.00 3.11 C ATOM 1168 C ALA A 121 -4.162 8.106 1.655 1.00 53.20 C ATOM 1169 O ALA A 121 -4.939 9.046 1.478 1.00 23.34 O ATOM 1170 CB ALA A 121 -4.645 5.711 1.132 1.00 51.33 C ATOM 0 H ALA A 121 -2.275 5.866 0.497 1.00 74.03 H new ATOM 0 HA ALA A 121 -4.567 7.310 -0.284 1.00 3.11 H new ATOM 0 HB1 ALA A 121 -5.689 5.884 1.392 1.00 51.33 H new ATOM 0 HB2 ALA A 121 -4.586 4.944 0.360 1.00 51.33 H new ATOM 0 HB3 ALA A 121 -4.101 5.379 2.016 1.00 51.33 H new ATOM 1176 N LEU A 122 -3.380 7.997 2.728 1.00 23.24 N ATOM 1177 CA LEU A 122 -3.435 8.960 3.826 1.00 62.14 C ATOM 1178 C LEU A 122 -3.157 10.373 3.333 1.00 41.41 C ATOM 1179 O LEU A 122 -3.916 11.300 3.618 1.00 51.13 O ATOM 1180 CB LEU A 122 -2.422 8.610 4.920 1.00 22.12 C ATOM 1181 CG LEU A 122 -2.576 7.236 5.575 1.00 4.53 C ATOM 1182 CD1 LEU A 122 -1.622 7.114 6.747 1.00 1.23 C ATOM 1183 CD2 LEU A 122 -4.005 6.998 6.028 1.00 14.51 C ATOM 0 H LEU A 122 -2.699 7.249 2.860 1.00 23.24 H new ATOM 0 HA LEU A 122 -4.443 8.913 4.238 1.00 62.14 H new ATOM 0 HB2 LEU A 122 -1.421 8.674 4.492 1.00 22.12 H new ATOM 0 HB3 LEU A 122 -2.485 9.369 5.700 1.00 22.12 H new ATOM 0 HG LEU A 122 -2.332 6.475 4.834 1.00 4.53 H new ATOM 0 HD11 LEU A 122 -1.737 6.133 7.209 1.00 1.23 H new ATOM 0 HD12 LEU A 122 -0.597 7.232 6.396 1.00 1.23 H new ATOM 0 HD13 LEU A 122 -1.846 7.889 7.480 1.00 1.23 H new ATOM 0 HD21 LEU A 122 -4.081 6.013 6.489 1.00 14.51 H new ATOM 0 HD22 LEU A 122 -4.289 7.761 6.753 1.00 14.51 H new ATOM 0 HD23 LEU A 122 -4.673 7.048 5.168 1.00 14.51 H new ATOM 1195 N ARG A 123 -2.076 10.531 2.577 1.00 4.25 N ATOM 1196 CA ARG A 123 -1.644 11.851 2.125 1.00 2.53 C ATOM 1197 C ARG A 123 -2.604 12.417 1.086 1.00 43.31 C ATOM 1198 O ARG A 123 -2.564 13.606 0.771 1.00 34.13 O ATOM 1199 CB ARG A 123 -0.224 11.785 1.553 1.00 43.34 C ATOM 1200 CG ARG A 123 -0.122 11.046 0.227 1.00 41.44 C ATOM 1201 CD ARG A 123 1.323 10.840 -0.195 1.00 63.33 C ATOM 1202 NE ARG A 123 2.013 12.100 -0.491 1.00 30.21 N ATOM 1203 CZ ARG A 123 3.330 12.277 -0.359 1.00 65.14 C ATOM 1204 NH1 ARG A 123 4.092 11.290 0.094 1.00 42.01 N ATOM 1205 NH2 ARG A 123 3.886 13.438 -0.684 1.00 12.13 N ATOM 0 H ARG A 123 -1.482 9.763 2.264 1.00 4.25 H new ATOM 0 HA ARG A 123 -1.645 12.517 2.988 1.00 2.53 H new ATOM 0 HB2 ARG A 123 0.150 12.800 1.421 1.00 43.34 H new ATOM 0 HB3 ARG A 123 0.426 11.298 2.279 1.00 43.34 H new ATOM 0 HG2 ARG A 123 -0.617 10.079 0.311 1.00 41.44 H new ATOM 0 HG3 ARG A 123 -0.649 11.608 -0.544 1.00 41.44 H new ATOM 0 HD2 ARG A 123 1.857 10.316 0.598 1.00 63.33 H new ATOM 0 HD3 ARG A 123 1.352 10.199 -1.076 1.00 63.33 H new ATOM 0 HE ARG A 123 1.454 12.888 -0.817 1.00 30.21 H new ATOM 0 HH11 ARG A 123 3.672 10.394 0.342 1.00 42.01 H new ATOM 0 HH12 ARG A 123 5.098 11.427 0.194 1.00 42.01 H new ATOM 0 HH21 ARG A 123 3.307 14.200 -1.036 1.00 12.13 H new ATOM 0 HH22 ARG A 123 4.892 13.568 -0.581 1.00 12.13 H new ATOM 1219 N SER A 124 -3.467 11.561 0.556 1.00 64.34 N ATOM 1220 CA SER A 124 -4.460 11.997 -0.405 1.00 52.41 C ATOM 1221 C SER A 124 -5.689 12.516 0.331 1.00 21.44 C ATOM 1222 O SER A 124 -6.430 13.351 -0.187 1.00 41.12 O ATOM 1223 CB SER A 124 -4.847 10.850 -1.340 1.00 50.12 C ATOM 1224 OG SER A 124 -5.369 11.340 -2.566 1.00 54.34 O ATOM 0 H SER A 124 -3.497 10.566 0.777 1.00 64.34 H new ATOM 0 HA SER A 124 -4.037 12.799 -1.009 1.00 52.41 H new ATOM 0 HB2 SER A 124 -3.974 10.227 -1.536 1.00 50.12 H new ATOM 0 HB3 SER A 124 -5.588 10.216 -0.854 1.00 50.12 H new ATOM 0 HG SER A 124 -5.907 12.141 -2.396 1.00 54.34 H new ATOM 1230 N PHE A 125 -5.896 12.016 1.549 1.00 61.12 N ATOM 1231 CA PHE A 125 -7.010 12.462 2.377 1.00 43.14 C ATOM 1232 C PHE A 125 -6.667 13.780 3.053 1.00 54.41 C ATOM 1233 O PHE A 125 -7.374 14.778 2.903 1.00 41.13 O ATOM 1234 CB PHE A 125 -7.348 11.439 3.468 1.00 41.12 C ATOM 1235 CG PHE A 125 -7.762 10.084 2.979 1.00 53.24 C ATOM 1236 CD1 PHE A 125 -8.675 9.938 1.946 1.00 34.33 C ATOM 1237 CD2 PHE A 125 -7.253 8.951 3.585 1.00 53.53 C ATOM 1238 CE1 PHE A 125 -9.069 8.679 1.530 1.00 42.35 C ATOM 1239 CE2 PHE A 125 -7.638 7.695 3.170 1.00 54.43 C ATOM 1240 CZ PHE A 125 -8.547 7.557 2.143 1.00 52.22 C ATOM 0 H PHE A 125 -5.307 11.304 1.981 1.00 61.12 H new ATOM 0 HA PHE A 125 -7.871 12.581 1.719 1.00 43.14 H new ATOM 0 HB2 PHE A 125 -6.478 11.322 4.114 1.00 41.12 H new ATOM 0 HB3 PHE A 125 -8.150 11.844 4.085 1.00 41.12 H new ATOM 0 HD1 PHE A 125 -9.082 10.814 1.462 1.00 34.33 H new ATOM 0 HD2 PHE A 125 -6.545 9.051 4.394 1.00 53.53 H new ATOM 0 HE1 PHE A 125 -9.784 8.574 0.727 1.00 42.35 H new ATOM 0 HE2 PHE A 125 -7.228 6.819 3.649 1.00 54.43 H new ATOM 0 HZ PHE A 125 -8.851 6.573 1.818 1.00 52.22 H new ATOM 1250 N ILE A 126 -5.573 13.770 3.803 1.00 4.24 N ATOM 1251 CA ILE A 126 -5.178 14.921 4.599 1.00 73.43 C ATOM 1252 C ILE A 126 -3.701 15.235 4.422 1.00 72.54 C ATOM 1253 O ILE A 126 -2.882 14.334 4.233 1.00 1.43 O ATOM 1254 CB ILE A 126 -5.452 14.726 6.115 1.00 15.12 C ATOM 1255 CG1 ILE A 126 -4.606 13.575 6.702 1.00 70.02 C ATOM 1256 CG2 ILE A 126 -6.934 14.495 6.375 1.00 61.40 C ATOM 1257 CD1 ILE A 126 -5.121 12.181 6.400 1.00 70.50 C ATOM 0 H ILE A 126 -4.941 12.972 3.876 1.00 4.24 H new ATOM 0 HA ILE A 126 -5.787 15.748 4.235 1.00 73.43 H new ATOM 0 HB ILE A 126 -5.155 15.644 6.621 1.00 15.12 H new ATOM 0 HG12 ILE A 126 -3.589 13.661 6.320 1.00 70.02 H new ATOM 0 HG13 ILE A 126 -4.552 13.699 7.784 1.00 70.02 H new ATOM 0 HG21 ILE A 126 -7.099 14.361 7.444 1.00 61.40 H new ATOM 0 HG22 ILE A 126 -7.503 15.356 6.025 1.00 61.40 H new ATOM 0 HG23 ILE A 126 -7.262 13.602 5.843 1.00 61.40 H new ATOM 0 HD11 ILE A 126 -4.460 11.443 6.854 1.00 70.50 H new ATOM 0 HD12 ILE A 126 -6.126 12.068 6.807 1.00 70.50 H new ATOM 0 HD13 ILE A 126 -5.148 12.029 5.321 1.00 70.50 H new ATOM 1269 N GLN A 127 -3.379 16.519 4.493 1.00 25.12 N ATOM 1270 CA GLN A 127 -2.002 16.990 4.469 1.00 33.25 C ATOM 1271 C GLN A 127 -1.895 18.319 5.196 1.00 54.41 C ATOM 1272 O GLN A 127 -2.640 19.257 4.916 1.00 15.13 O ATOM 1273 CB GLN A 127 -1.475 17.154 3.040 1.00 10.44 C ATOM 1274 CG GLN A 127 -0.918 15.880 2.428 1.00 43.11 C ATOM 1275 CD GLN A 127 0.207 15.284 3.255 1.00 53.21 C ATOM 1276 OE1 GLN A 127 1.376 15.626 3.081 1.00 1.14 O ATOM 1277 NE2 GLN A 127 -0.141 14.391 4.167 1.00 24.44 N ATOM 0 H GLN A 127 -4.069 17.266 4.569 1.00 25.12 H new ATOM 0 HA GLN A 127 -1.394 16.237 4.970 1.00 33.25 H new ATOM 0 HB2 GLN A 127 -2.282 17.524 2.408 1.00 10.44 H new ATOM 0 HB3 GLN A 127 -0.695 17.915 3.038 1.00 10.44 H new ATOM 0 HG2 GLN A 127 -1.719 15.148 2.328 1.00 43.11 H new ATOM 0 HG3 GLN A 127 -0.553 16.092 1.423 1.00 43.11 H new ATOM 0 HE21 GLN A 127 -1.121 14.134 4.281 1.00 24.44 H new ATOM 0 HE22 GLN A 127 0.571 13.960 4.756 1.00 24.44 H new ATOM 1286 N PHE A 128 -0.968 18.387 6.132 1.00 1.15 N ATOM 1287 CA PHE A 128 -0.718 19.608 6.875 1.00 64.40 C ATOM 1288 C PHE A 128 0.303 20.438 6.116 1.00 24.50 C ATOM 1289 O PHE A 128 0.496 21.624 6.382 1.00 54.30 O ATOM 1290 CB PHE A 128 -0.212 19.274 8.276 1.00 30.12 C ATOM 1291 CG PHE A 128 -1.160 18.415 9.069 1.00 52.33 C ATOM 1292 CD1 PHE A 128 -1.287 17.059 8.791 1.00 73.23 C ATOM 1293 CD2 PHE A 128 -1.921 18.960 10.090 1.00 31.22 C ATOM 1294 CE1 PHE A 128 -2.154 16.268 9.521 1.00 64.50 C ATOM 1295 CE2 PHE A 128 -2.790 18.172 10.822 1.00 61.32 C ATOM 1296 CZ PHE A 128 -2.908 16.825 10.536 1.00 53.55 C ATOM 0 H PHE A 128 -0.371 17.604 6.398 1.00 1.15 H new ATOM 0 HA PHE A 128 -1.641 20.178 6.979 1.00 64.40 H new ATOM 0 HB2 PHE A 128 0.747 18.763 8.195 1.00 30.12 H new ATOM 0 HB3 PHE A 128 -0.034 20.202 8.820 1.00 30.12 H new ATOM 0 HD1 PHE A 128 -0.702 16.619 7.997 1.00 73.23 H new ATOM 0 HD2 PHE A 128 -1.835 20.012 10.317 1.00 31.22 H new ATOM 0 HE1 PHE A 128 -2.242 15.215 9.298 1.00 64.50 H new ATOM 0 HE2 PHE A 128 -3.376 18.609 11.617 1.00 61.32 H new ATOM 0 HZ PHE A 128 -3.588 16.209 11.105 1.00 53.55 H new ATOM 1306 N LYS A 129 0.956 19.778 5.175 1.00 24.44 N ATOM 1307 CA LYS A 129 1.871 20.424 4.250 1.00 42.43 C ATOM 1308 C LYS A 129 1.245 20.436 2.863 1.00 52.41 C ATOM 1309 O LYS A 129 0.051 20.184 2.718 1.00 43.33 O ATOM 1310 CB LYS A 129 3.203 19.671 4.216 1.00 42.15 C ATOM 1311 CG LYS A 129 3.954 19.702 5.536 1.00 10.35 C ATOM 1312 CD LYS A 129 5.132 18.744 5.528 1.00 32.15 C ATOM 1313 CE LYS A 129 5.949 18.851 6.804 1.00 65.32 C ATOM 1314 NZ LYS A 129 5.104 18.729 8.020 1.00 34.12 N ATOM 0 H LYS A 129 0.866 18.772 5.030 1.00 24.44 H new ATOM 0 HA LYS A 129 2.059 21.447 4.577 1.00 42.43 H new ATOM 0 HB2 LYS A 129 3.017 18.634 3.938 1.00 42.15 H new ATOM 0 HB3 LYS A 129 3.834 20.101 3.438 1.00 42.15 H new ATOM 0 HG2 LYS A 129 4.308 20.714 5.731 1.00 10.35 H new ATOM 0 HG3 LYS A 129 3.276 19.440 6.348 1.00 10.35 H new ATOM 0 HD2 LYS A 129 4.770 17.722 5.412 1.00 32.15 H new ATOM 0 HD3 LYS A 129 5.768 18.956 4.669 1.00 32.15 H new ATOM 0 HE2 LYS A 129 6.711 18.072 6.813 1.00 65.32 H new ATOM 0 HE3 LYS A 129 6.471 19.808 6.820 1.00 65.32 H new ATOM 0 HZ1 LYS A 129 5.712 18.603 8.854 1.00 34.12 H new ATOM 0 HZ2 LYS A 129 4.533 19.591 8.134 1.00 34.12 H new ATOM 0 HZ3 LYS A 129 4.474 17.907 7.924 1.00 34.12 H new ATOM 1328 N ASP A 130 2.045 20.719 1.849 1.00 3.02 N ATOM 1329 CA ASP A 130 1.564 20.674 0.475 1.00 61.03 C ATOM 1330 C ASP A 130 1.424 19.228 0.032 1.00 21.42 C ATOM 1331 O ASP A 130 0.533 18.878 -0.743 1.00 13.41 O ATOM 1332 CB ASP A 130 2.528 21.409 -0.460 1.00 42.42 C ATOM 1333 CG ASP A 130 2.667 22.879 -0.120 1.00 34.11 C ATOM 1334 OD1 ASP A 130 1.872 23.691 -0.636 1.00 71.21 O ATOM 1335 OD2 ASP A 130 3.579 23.228 0.660 1.00 50.02 O ATOM 0 H ASP A 130 3.026 20.981 1.948 1.00 3.02 H new ATOM 0 HA ASP A 130 0.593 21.167 0.429 1.00 61.03 H new ATOM 0 HB2 ASP A 130 3.508 20.935 -0.410 1.00 42.42 H new ATOM 0 HB3 ASP A 130 2.178 21.310 -1.487 1.00 42.42 H new ATOM 1340 N GLY A 131 2.316 18.389 0.540 1.00 64.01 N ATOM 1341 CA GLY A 131 2.308 16.988 0.181 1.00 63.24 C ATOM 1342 C GLY A 131 2.907 16.763 -1.190 1.00 43.24 C ATOM 1343 O GLY A 131 2.742 15.697 -1.782 1.00 20.11 O ATOM 0 H GLY A 131 3.048 18.657 1.198 1.00 64.01 H new ATOM 0 HA2 GLY A 131 2.869 16.418 0.922 1.00 63.24 H new ATOM 0 HA3 GLY A 131 1.285 16.613 0.198 1.00 63.24 H new ATOM 1347 N ALA A 132 3.606 17.771 -1.687 1.00 42.53 N ATOM 1348 CA ALA A 132 4.201 17.710 -3.009 1.00 63.13 C ATOM 1349 C ALA A 132 5.709 17.554 -2.905 1.00 32.24 C ATOM 1350 O ALA A 132 6.352 18.181 -2.061 1.00 33.21 O ATOM 1351 CB ALA A 132 3.847 18.955 -3.809 1.00 5.55 C ATOM 0 H ALA A 132 3.775 18.646 -1.190 1.00 42.53 H new ATOM 0 HA ALA A 132 3.800 16.841 -3.530 1.00 63.13 H new ATOM 0 HB1 ALA A 132 4.301 18.893 -4.798 1.00 5.55 H new ATOM 0 HB2 ALA A 132 2.764 19.026 -3.911 1.00 5.55 H new ATOM 0 HB3 ALA A 132 4.222 19.838 -3.292 1.00 5.55 H new ATOM 1357 N VAL A 133 6.264 16.704 -3.748 1.00 61.44 N ATOM 1358 CA VAL A 133 7.700 16.484 -3.769 1.00 14.10 C ATOM 1359 C VAL A 133 8.304 17.108 -5.019 1.00 44.12 C ATOM 1360 O VAL A 133 8.112 16.607 -6.130 1.00 1.24 O ATOM 1361 CB VAL A 133 8.049 14.980 -3.729 1.00 23.20 C ATOM 1362 CG1 VAL A 133 9.556 14.776 -3.677 1.00 24.11 C ATOM 1363 CG2 VAL A 133 7.372 14.302 -2.546 1.00 51.21 C ATOM 0 H VAL A 133 5.742 16.153 -4.429 1.00 61.44 H new ATOM 0 HA VAL A 133 8.117 16.954 -2.878 1.00 14.10 H new ATOM 0 HB VAL A 133 7.676 14.520 -4.644 1.00 23.20 H new ATOM 0 HG11 VAL A 133 9.778 13.709 -3.649 1.00 24.11 H new ATOM 0 HG12 VAL A 133 10.014 15.219 -4.561 1.00 24.11 H new ATOM 0 HG13 VAL A 133 9.957 15.253 -2.783 1.00 24.11 H new ATOM 0 HG21 VAL A 133 7.631 13.243 -2.536 1.00 51.21 H new ATOM 0 HG22 VAL A 133 7.709 14.766 -1.619 1.00 51.21 H new ATOM 0 HG23 VAL A 133 6.291 14.410 -2.634 1.00 51.21 H new ATOM 1373 N LEU A 134 9.025 18.207 -4.844 1.00 22.43 N ATOM 1374 CA LEU A 134 9.636 18.888 -5.972 1.00 52.23 C ATOM 1375 C LEU A 134 10.962 18.227 -6.327 1.00 20.02 C ATOM 1376 O LEU A 134 12.036 18.677 -5.921 1.00 73.43 O ATOM 1377 CB LEU A 134 9.831 20.380 -5.678 1.00 73.45 C ATOM 1378 CG LEU A 134 10.363 21.207 -6.852 1.00 60.53 C ATOM 1379 CD1 LEU A 134 9.431 21.100 -8.049 1.00 5.11 C ATOM 1380 CD2 LEU A 134 10.536 22.661 -6.443 1.00 63.12 C ATOM 0 H LEU A 134 9.199 18.642 -3.938 1.00 22.43 H new ATOM 0 HA LEU A 134 8.965 18.806 -6.827 1.00 52.23 H new ATOM 0 HB2 LEU A 134 8.877 20.800 -5.360 1.00 73.45 H new ATOM 0 HB3 LEU A 134 10.520 20.483 -4.839 1.00 73.45 H new ATOM 0 HG LEU A 134 11.337 20.809 -7.138 1.00 60.53 H new ATOM 0 HD11 LEU A 134 9.827 21.695 -8.872 1.00 5.11 H new ATOM 0 HD12 LEU A 134 9.354 20.058 -8.358 1.00 5.11 H new ATOM 0 HD13 LEU A 134 8.443 21.471 -7.775 1.00 5.11 H new ATOM 0 HD21 LEU A 134 10.915 23.234 -7.289 1.00 63.12 H new ATOM 0 HD22 LEU A 134 9.574 23.068 -6.130 1.00 63.12 H new ATOM 0 HD23 LEU A 134 11.243 22.725 -5.616 1.00 63.12 H new ATOM 1392 N SER A 135 10.867 17.123 -7.043 1.00 23.12 N ATOM 1393 CA SER A 135 12.029 16.387 -7.505 1.00 64.24 C ATOM 1394 C SER A 135 11.655 15.600 -8.752 1.00 41.34 C ATOM 1395 O SER A 135 10.541 15.080 -8.840 1.00 72.14 O ATOM 1396 CB SER A 135 12.529 15.432 -6.410 1.00 31.34 C ATOM 1397 OG SER A 135 12.874 16.138 -5.226 1.00 11.13 O ATOM 0 H SER A 135 9.977 16.709 -7.322 1.00 23.12 H new ATOM 0 HA SER A 135 12.830 17.088 -7.740 1.00 64.24 H new ATOM 0 HB2 SER A 135 11.756 14.697 -6.185 1.00 31.34 H new ATOM 0 HB3 SER A 135 13.397 14.881 -6.773 1.00 31.34 H new ATOM 0 HG SER A 135 13.187 15.505 -4.547 1.00 11.13 H new ATOM 1403 N PRO A 136 12.559 15.531 -9.743 1.00 41.21 N ATOM 1404 CA PRO A 136 12.332 14.753 -10.962 1.00 44.41 C ATOM 1405 C PRO A 136 12.145 13.275 -10.653 1.00 34.32 C ATOM 1406 O PRO A 136 13.100 12.571 -10.314 1.00 51.30 O ATOM 1407 CB PRO A 136 13.603 14.978 -11.791 1.00 72.03 C ATOM 1408 CG PRO A 136 14.227 16.202 -11.217 1.00 0.21 C ATOM 1409 CD PRO A 136 13.862 16.211 -9.760 1.00 24.22 C ATOM 0 HA PRO A 136 11.426 15.062 -11.484 1.00 44.41 H new ATOM 0 HB2 PRO A 136 14.275 14.123 -11.722 1.00 72.03 H new ATOM 0 HB3 PRO A 136 13.367 15.113 -12.846 1.00 72.03 H new ATOM 0 HG2 PRO A 136 15.309 16.186 -11.348 1.00 0.21 H new ATOM 0 HG3 PRO A 136 13.859 17.098 -11.717 1.00 0.21 H new ATOM 0 HD2 PRO A 136 14.600 15.684 -9.155 1.00 24.22 H new ATOM 0 HD3 PRO A 136 13.793 17.225 -9.367 1.00 24.22 H new ATOM 1417 N LEU A 137 10.912 12.817 -10.741 1.00 51.22 N ATOM 1418 CA LEU A 137 10.586 11.440 -10.429 1.00 45.03 C ATOM 1419 C LEU A 137 10.400 10.643 -11.708 1.00 60.32 C ATOM 1420 O LEU A 137 10.206 11.212 -12.783 1.00 54.31 O ATOM 1421 CB LEU A 137 9.324 11.368 -9.567 1.00 14.42 C ATOM 1422 CG LEU A 137 9.431 12.050 -8.200 1.00 13.41 C ATOM 1423 CD1 LEU A 137 8.121 11.926 -7.439 1.00 4.41 C ATOM 1424 CD2 LEU A 137 10.576 11.456 -7.389 1.00 52.24 C ATOM 0 H LEU A 137 10.114 13.384 -11.028 1.00 51.22 H new ATOM 0 HA LEU A 137 11.412 11.008 -9.864 1.00 45.03 H new ATOM 0 HB2 LEU A 137 8.500 11.821 -10.118 1.00 14.42 H new ATOM 0 HB3 LEU A 137 9.067 10.320 -9.414 1.00 14.42 H new ATOM 0 HG LEU A 137 9.639 13.108 -8.362 1.00 13.41 H new ATOM 0 HD11 LEU A 137 8.215 12.416 -6.470 1.00 4.41 H new ATOM 0 HD12 LEU A 137 7.323 12.400 -8.009 1.00 4.41 H new ATOM 0 HD13 LEU A 137 7.885 10.872 -7.291 1.00 4.41 H new ATOM 0 HD21 LEU A 137 10.634 11.955 -6.422 1.00 52.24 H new ATOM 0 HD22 LEU A 137 10.401 10.391 -7.238 1.00 52.24 H new ATOM 0 HD23 LEU A 137 11.514 11.597 -7.926 1.00 52.24 H new ATOM 1436 N LYS A 138 10.466 9.332 -11.590 1.00 43.31 N ATOM 1437 CA LYS A 138 10.335 8.459 -12.742 1.00 44.24 C ATOM 1438 C LYS A 138 8.947 7.836 -12.762 1.00 54.30 C ATOM 1439 O LYS A 138 8.382 7.528 -11.709 1.00 24.20 O ATOM 1440 CB LYS A 138 11.412 7.363 -12.731 1.00 32.15 C ATOM 1441 CG LYS A 138 12.832 7.860 -13.003 1.00 43.31 C ATOM 1442 CD LYS A 138 13.380 8.696 -11.856 1.00 33.40 C ATOM 1443 CE LYS A 138 13.438 7.902 -10.559 1.00 31.33 C ATOM 1444 NZ LYS A 138 14.475 6.841 -10.597 1.00 15.01 N ATOM 0 H LYS A 138 10.610 8.845 -10.705 1.00 43.31 H new ATOM 0 HA LYS A 138 10.474 9.056 -13.644 1.00 44.24 H new ATOM 0 HB2 LYS A 138 11.395 6.866 -11.761 1.00 32.15 H new ATOM 0 HB3 LYS A 138 11.155 6.612 -13.478 1.00 32.15 H new ATOM 0 HG2 LYS A 138 13.487 7.006 -13.173 1.00 43.31 H new ATOM 0 HG3 LYS A 138 12.838 8.453 -13.917 1.00 43.31 H new ATOM 0 HD2 LYS A 138 14.378 9.052 -12.110 1.00 33.40 H new ATOM 0 HD3 LYS A 138 12.753 9.577 -11.716 1.00 33.40 H new ATOM 0 HE2 LYS A 138 13.643 8.579 -9.730 1.00 31.33 H new ATOM 0 HE3 LYS A 138 12.465 7.450 -10.368 1.00 31.33 H new ATOM 0 HZ1 LYS A 138 14.513 6.360 -9.676 1.00 15.01 H new ATOM 0 HZ2 LYS A 138 14.239 6.151 -11.338 1.00 15.01 H new ATOM 0 HZ3 LYS A 138 15.401 7.268 -10.803 1.00 15.01 H new ATOM 1458 N PRO A 139 8.364 7.672 -13.955 1.00 71.21 N ATOM 1459 CA PRO A 139 7.038 7.082 -14.102 1.00 52.54 C ATOM 1460 C PRO A 139 7.084 5.558 -14.078 1.00 60.41 C ATOM 1461 O PRO A 139 8.132 4.956 -13.825 1.00 43.41 O ATOM 1462 CB PRO A 139 6.596 7.584 -15.473 1.00 40.43 C ATOM 1463 CG PRO A 139 7.863 7.703 -16.253 1.00 41.43 C ATOM 1464 CD PRO A 139 8.944 8.055 -15.259 1.00 71.10 C ATOM 0 HA PRO A 139 6.364 7.358 -13.291 1.00 52.54 H new ATOM 0 HB2 PRO A 139 5.903 6.889 -15.946 1.00 40.43 H new ATOM 0 HB3 PRO A 139 6.084 8.543 -15.398 1.00 40.43 H new ATOM 0 HG2 PRO A 139 8.094 6.768 -16.763 1.00 41.43 H new ATOM 0 HG3 PRO A 139 7.776 8.472 -17.021 1.00 41.43 H new ATOM 0 HD2 PRO A 139 9.866 7.510 -15.462 1.00 71.10 H new ATOM 0 HD3 PRO A 139 9.187 9.117 -15.292 1.00 71.10 H new ATOM 1472 N ALA A 140 5.945 4.937 -14.338 1.00 42.51 N ATOM 1473 CA ALA A 140 5.871 3.490 -14.409 1.00 15.10 C ATOM 1474 C ALA A 140 5.859 3.045 -15.865 1.00 61.31 C ATOM 1475 O ALA A 140 4.774 3.068 -16.490 1.00 38.13 O ATOM 1476 CB ALA A 140 4.641 2.982 -13.671 1.00 21.02 C ATOM 1477 OXT ALA A 140 6.936 2.695 -16.391 1.00 38.13 O ATOM 0 H ALA A 140 5.059 5.415 -14.503 1.00 42.51 H new ATOM 0 HA ALA A 140 6.749 3.064 -13.924 1.00 15.10 H new ATOM 0 HB1 ALA A 140 4.602 1.895 -13.735 1.00 21.02 H new ATOM 0 HB2 ALA A 140 4.695 3.282 -12.625 1.00 21.02 H new ATOM 0 HB3 ALA A 140 3.744 3.405 -14.124 1.00 21.02 H new TER 1483 ALA A 140